| 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 | 29.6 | Very low | 40.4 | Very low | 239 Ų | 239 | 115.9 Ų | 115.9 | 100% | 1.177 | 60% | 0.598 | S | S | * | * | 0 | 112.2 | 0 | -164.8 | 157.6 | -169.8 | 0 | 0 | 107.5 | |||||
| 2 | S | 27.7 | Very low | 41.2 | Very low | 95 Ų | 95 | 112.8 Ų | 112.8 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | trans | -90.5 | 118.9 | -174.8 | 3.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | V | 31.4 | Very low | 42.1 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | trans | -93.7 | 111.9 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | F5 | V3-F5 HydrophobicContact CB-CE2 4.29Å; V3-F5 HydrophobicContact CG1-CD2 4.08Å; V3-F5 HydrophobicContact CG1-CE1 4.34Å; V3-F5 HydrophobicContact CG1-CE2 3.52Å; V3-F5 HydrophobicContact CG1-CZ 3.68Å | ||
| 4 | F | 33.9 | Very low | 42.9 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | trans | -97.4 | 114.2 | 175.4 | -70.6 | -83.4 | 0 | 0 | 0 | 109.6 | ||||
| 5 | F | 36.5 | Very low | 43.6 | Very low | 179 Ų | 179 | 103.7 Ų | 103.7 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 119.8 | 171.4 | -68.3 | -83.2 | 0 | 0 | 0 | 108.8 | V3 | V3-F5 HydrophobicContact CB-CE2 4.29Å; V3-F5 HydrophobicContact CG1-CD2 4.08Å; V3-F5 HydrophobicContact CG1-CE1 4.34Å; V3-F5 HydrophobicContact CG1-CE2 3.52Å; V3-F5 HydrophobicContact CG1-CZ 3.68Å |
| 6 | A | 41.5 | Very low | 44.3 | Very low | 21 Ų | 21 | 106.8 Ų | 106.8 | 17% | 0.174 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 134.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L10 L30 | A6-L10 HydrophobicContact CB-CD2 3.79Å; A6-L30 HydrophobicContact CB-CD1 3.27Å; A6-L30 HydrophobicContact CB-CD2 4.05Å; A6-L30 HydrophobicContact CB-CG 3.61Å |
| 7 | P | 45.5 | Very low | 44.8 | Very low | 87 Ų | 87 | 105.8 Ų | 105.8 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -59 | 141.4 | 177.5 | 4.3 | -4.8 | 0 | 0 | 0 | 110.4 | G9 L10 | P7-G9 PolarHBondContact O-N 3.18Å; P7-G9 VanDerWaalsContact O-N 3.08Å; P7-L10 HydrophobicContact CG-CB 4.21Å; P7-L10 WeakPolarHBondContact O-CB 3.47Å; P7-L10 PolarHBondContact O-N 3.13Å |
| 8 | R | 48.1 | Very low | 45.3 | Very low | 243 Ų | 243 | 100.5 Ų | 100.5 | 92% | 0.917 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.9 | -33.2 | -176.5 | -66.3 | -175.2 | -158.3 | 173.9 | 6.4 | 113.1 | L10 | R8-L10 VanDerWaalsContact C-N 3.27Å; R8-L10 PolarHBondContact O-N 2.89Å |
| 9 | G | 49.5 | Very low | 45.6 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -23.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P7 K11 C12 N13 | P7-G9 PolarHBondContact O-N 3.18Å; P7-G9 VanDerWaalsContact O-N 3.08Å; G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 3.32Å; G9-C12 PolarHBondContact O-N 3.42Å; G9-N13 PolarHBondContact O-N 3.28Å |
| 10 | L | 49.6 | Very low | 46.2 | Very low | 38 Ų | 38 | 97.9 Ų | 97.9 | 20% | 0.199 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | -178.9 | -160.7 | 90.7 | 0 | 0 | 0 | 111.4 | A6 P7 R8 C12 N13 L14 H33 | A6-L10 HydrophobicContact CB-CD2 3.79Å; P7-L10 HydrophobicContact CG-CB 4.21Å; P7-L10 WeakPolarHBondContact O-CB 3.47Å; P7-L10 PolarHBondContact O-N 3.13Å; R8-L10 VanDerWaalsContact C-N 3.27Å; R8-L10 PolarHBondContact O-N 2.89Å; L10-C12 VanDerWaalsContact C-N 3.35Å; L10-C12 PolarHBondContact O-N 3.16Å; L10-N13 PolarHBondContact O-N 3.06Å; L10-L14 HydrophobicContact CD2-CD1 3.86Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.15Å; L10-H33 HydrophobicContact CD2-CB 4.34Å; L10-H33 WeakPolarHBondContact CD2-ND1 3.33Å |
| 11 | K | 51.4 | Low | 46.5 | Very low | 65 Ų | 65 | 100.5 Ų | 100.5 | 28% | 0.283 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.2 | -91.7 | -176.8 | -178.1 | 179.8 | 0 | 112.7 | G9 K15 N26 L30 | G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 3.32Å; K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 3.42Å; K11-N26 HydrophobicContact CD-CB 3.89Å; K11-N26 WeakPolarHBondContact CE-O 3.42Å; K11-L30 HydrophobicContact CD-CD1 4.45Å; K11-L30 HydrophobicContact CG-CD1 3.89Å |
| 12 | C | 50 | Low | 47.9 | Very low | 79 Ų | 79 | 90.9 Ų | 90.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 178.8 | -73 | 0 | 0 | 0 | 0 | 111.2 | G9 L10 K15 Q16 | G9-C12 PolarHBondContact O-N 3.42Å; L10-C12 VanDerWaalsContact C-N 3.35Å; L10-C12 PolarHBondContact O-N 3.16Å; C12-K15 PolarHBondContact O-N 3.47Å; C12-Q16 WeakPolarHBondContact O-CB 3.46Å; C12-Q16 VanDerWaalsContact O-CG 3.32Å; C12-Q16 WeakPolarHBondContact O-CG 3.48Å; C12-Q16 PolarHBondContact O-N 3.09Å |
| 13 | N | 53.3 | Low | 49.6 | Very low | 91 Ų | 91 | 94.2 Ų | 94.2 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.2 | -89 | 5.9 | 0 | 0 | 0 | 112.2 | G9 L10 K15 Q16 Q17 | G9-N13 PolarHBondContact O-N 3.28Å; L10-N13 PolarHBondContact O-N 3.06Å; N13-K15 VanDerWaalsContact C-N 3.35Å; N13-K15 PolarHBondContact O-N 3.19Å; N13-Q16 PolarHBondContact O-N 3.18Å; N13-Q16 VanDerWaalsContact O-N 3.17Å; N13-Q17 WeakPolarHBondContact O-CB 3.37Å; N13-Q17 WeakPolarHBondContact O-CG 3.35Å; N13-Q17 PolarHBondContact O-N 3.42Å |
| 14 | L | 52.5 | Low | 51.1 | Low | 3 Ų | 3 | 91.4 Ų | 91.4 | 2% | 0.016 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -53.7 | -50.2 | 172.6 | -89.4 | 152.9 | 0 | 0 | 0 | 111.4 | L10 Q16 Q17 L18 L29 H33 M41 | L10-L14 HydrophobicContact CD2-CD1 3.86Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.15Å; L14-Q16 VanDerWaalsContact C-N 3.31Å; L14-Q16 PolarHBondContact O-N 3.03Å; L14-Q17 PolarHBondContact O-N 3.22Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 PolarHBondContact O-N 3.31Å; L14-L29 HydrophobicContact CB-CD2 4.03Å; L14-L29 HydrophobicContact CD2-CD2 3.75Å; L14-L29 HydrophobicContact CG-CD2 4.4Å; L14-H33 HydrophobicContact CD1-CB 4.26Å; L14-M41 HydrophobicContact CB-CE 4.17Å; L14-M41 HydrophobicContact CD2-CE 3.34Å; L14-M41 HydrophobicContact CD2-CG 3.6Å; L14-M41 HydrophobicContact CD2-SD 3.07Å; L14-M41 WeakPolarHBondContact CD2-SD 3.46Å; L14-M41 HydrophobicContact CG-CE 3.47Å; L14-M41 VanDerWaalsContact CG-CE 3.47Å; L14-M41 HydrophobicContact CG-SD 3.91Å |
| 15 | K | 53.9 | Low | 52.6 | Low | 108 Ų | 108 | 87.6 Ų | 87.6 | 47% | 0.47 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 177.6 | -85.3 | -172.8 | 163 | -175.5 | 0 | 114.3 | K11 C12 N13 N26 L29 | K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 3.42Å; C12-K15 PolarHBondContact O-N 3.47Å; N13-K15 VanDerWaalsContact C-N 3.35Å; N13-K15 PolarHBondContact O-N 3.19Å; K15-N26 WeakPolarHBondContact CE-OD1 3.32Å; K15-N26 PolarHBondContact NZ-OD1 2.7Å; K15-L29 HydrophobicContact CG-CD1 4.14Å |
| 16 | Q | 54.2 | Low | 54 | Low | 152 Ų | 152 | 82 Ų | 82 | 71% | 0.71 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -77.5 | -30.3 | 176.1 | -76.2 | 176.8 | -16.2 | 0 | 0 | 112.3 | C12 N13 L14 | C12-Q16 WeakPolarHBondContact O-CB 3.46Å; C12-Q16 VanDerWaalsContact O-CG 3.32Å; C12-Q16 WeakPolarHBondContact O-CG 3.48Å; C12-Q16 PolarHBondContact O-N 3.09Å; N13-Q16 PolarHBondContact O-N 3.18Å; N13-Q16 VanDerWaalsContact O-N 3.17Å; L14-Q16 VanDerWaalsContact C-N 3.31Å; L14-Q16 PolarHBondContact O-N 3.03Å |
| 17 | Q | 53.3 | Low | 55 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -84.2 | -28.1 | 177.7 | -75.6 | -174.1 | -23.6 | 0 | 0 | 112.7 | N13 L14 M41 L45 | N13-Q17 WeakPolarHBondContact O-CB 3.37Å; N13-Q17 WeakPolarHBondContact O-CG 3.35Å; N13-Q17 PolarHBondContact O-N 3.42Å; L14-Q17 PolarHBondContact O-N 3.22Å; Q17-M41 HydrophobicContact CB-CE 4.43Å; Q17-L45 HydrophobicContact CB-CD1 4.03Å; Q17-L45 HydrophobicContact CG-CD1 4.42Å; Q17-L45 WeakPolarHBondContact O-CD2 3.39Å; Q17-L45 WeakPolarHBondContact O-CG 3.39Å |
| 18 | L | 53.4 | Low | 55.8 | Low | 10 Ų | 10 | 88.5 Ų | 88.5 | 5% | 0.052 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -84.2 | 146 | 172.6 | -84.3 | 152.5 | 0 | 0 | 0 | 111.2 | L14 A20 L29 L44 | L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 PolarHBondContact O-N 3.31Å; L18-A20 PolarHBondContact O-N 3.04Å; L18-L29 HydrophobicContact CD1-CD2 3.15Å; L18-L29 HydrophobicContact CD1-CG 4.48Å; L18-L44 HydrophobicContact CD2-CB 3.87Å; L18-L44 HydrophobicContact CD2-CD2 3.93Å; L18-L44 HydrophobicContact CD2-CG 4.32Å |
| 19 | P | 51.3 | Low | 56.6 | Low | 46 Ų | 46 | 77 Ų | 77 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | trans | -55.8 | 138.5 | 174.3 | -19.7 | 30.3 | 0 | 0 | 0 | 109.8 | N21 S22 E48 | P19-N21 PolarHBondContact O-N 2.89Å; P19-S22 PolarHBondContact O-N 3.26Å; P19-E48 HydrophobicContact CG-CG 3.74Å | ||
| 20 | A | 56.6 | Low | 57.3 | Low | 103 Ų | 103 | 76.7 Ų | 76.7 | 85% | 0.851 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L18 | L18-A20 PolarHBondContact O-N 3.04Š|
| 21 | N | 54.1 | Low | 58 | Low | 152 Ų | 152 | 78 Ų | 78 | 81% | 0.813 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 10.9 | 177 | -68.9 | -9.8 | 0 | 0 | 0 | 114.4 | P19 D23 | P19-N21 PolarHBondContact O-N 2.89Å; N21-D23 PolarHBondContact O-N 3.13Å; N21-D23 VanDerWaalsContact O-N 3.11Å |
| 22 | S | 57.5 | Low | 58.5 | Low | 38 Ų | 38 | 75.6 Ų | 75.6 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | trans | -70.3 | 110.2 | 174 | 75.5 | 0 | 0 | 0 | 0 | 109.7 | P19 L24 | P19-S22 PolarHBondContact O-N 3.26Å; S22-L24 PolarHBondContact O-N 3.48Å | ||
| 23 | D | 64.8 | Low | 59.2 | Low | 165 Ų | 165 | 73.7 Ų | 73.7 | 88% | 0.882 | 39% | 0.394 | S | S | * | . | trans | -65.8 | 8.1 | 174.8 | -75 | -34.8 | 0 | 0 | 0 | 113.9 | N21 T25 | N21-D23 PolarHBondContact O-N 3.13Å; N21-D23 VanDerWaalsContact O-N 3.11Å; D23-T25 PolarHBondContact O-N 3.46Å | ||
| 24 | L | 62.6 | Low | 59.7 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | trans | -75.3 | 126 | -178.1 | -70.5 | 168 | 0 | 0 | 0 | 110.5 | S22 Q28 L29 L32 | S22-L24 PolarHBondContact O-N 3.48Å; L24-Q28 HydrophobicContact CD2-CB 4.05Å; L24-L29 HydrophobicContact CB-CG 4.25Å; L24-L32 HydrophobicContact CD1-CD1 3.98Å | ||
| 25 | T | 65 | Low | 59.9 | Low | 75 Ų | 75 | 76.6 Ų | 76.6 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | trans | -67.2 | 153.2 | 173.9 | 71.1 | 0 | 0 | 0 | 0 | 110 | D23 E27 Q28 L29 | D23-T25 PolarHBondContact O-N 3.46Å; T25-E27 PolarHBondContact O-N 3.37Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-OE1 2.9Å; T25-L29 PolarHBondContact O-N 3.43Å | ||
| 26 | N | 66.3 | Low | 60.3 | Low | 61 Ų | 61 | 74.5 Ų | 74.5 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -50 | -30.5 | 176.6 | -83 | -22 | 0 | 0 | 0 | 113.7 | K11 K15 L30 | K11-N26 HydrophobicContact CD-CB 3.89Å; K11-N26 WeakPolarHBondContact CE-O 3.42Å; K15-N26 WeakPolarHBondContact CE-OD1 3.32Å; K15-N26 PolarHBondContact NZ-OD1 2.7Å; N26-L30 PolarHBondContact O-N 3.46Å |
| 27 | E | 62.1 | Low | 60.9 | Low | 150 Ų | 150 | 68.5 Ų | 68.5 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -77.3 | -39.5 | 178.3 | -69.6 | 174 | 174.6 | 0 | 0 | 112.5 | T25 L29 L30 L31 | T25-E27 PolarHBondContact O-N 3.37Å; E27-L29 VanDerWaalsContact C-N 3.34Å; E27-L30 WeakPolarHBondContact O-CB 3.31Å; E27-L30 PolarHBondContact O-N 3.04Å; E27-L31 WeakPolarHBondContact O-CB 3.47Å; E27-L31 PolarHBondContact O-N 3.27Å |
| 28 | Q | 62.1 | Low | 61.4 | Low | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.5 | -69.2 | 169.5 | -34.5 | 0 | 0 | 111.1 | L24 T25 L30 L31 L32 | L24-Q28 HydrophobicContact CD2-CB 4.05Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-OE1 2.9Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 2.85Å; Q28-L31 WeakPolarHBondContact O-CB 3.25Å; Q28-L31 PolarHBondContact O-N 2.84Å; Q28-L32 WeakPolarHBondContact O-CB 3.49Å; Q28-L32 PolarHBondContact O-N 3.4Å |
| 29 | L | 65 | Low | 61.4 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 171.2 | -88.1 | 161.3 | 0 | 0 | 0 | 112.6 | L14 K15 L18 L24 T25 E27 L31 L32 H33 | L14-L29 HydrophobicContact CB-CD2 4.03Å; L14-L29 HydrophobicContact CD2-CD2 3.75Å; L14-L29 HydrophobicContact CG-CD2 4.4Å; K15-L29 HydrophobicContact CG-CD1 4.14Å; L18-L29 HydrophobicContact CD1-CD2 3.15Å; L18-L29 HydrophobicContact CD1-CG 4.48Å; L24-L29 HydrophobicContact CB-CG 4.25Å; T25-L29 PolarHBondContact O-N 3.43Å; E27-L29 VanDerWaalsContact C-N 3.34Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.17Å; L29-L32 PolarHBondContact O-N 2.92Å; L29-H33 PolarHBondContact O-N 3.36Å |
| 30 | L | 64.5 | Low | 61.6 | Low | 43 Ų | 43 | 75 Ų | 75 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.5 | -140.2 | 74.9 | 0 | 0 | 0 | 111.7 | A6 K11 N26 E27 Q28 H33 N34 | A6-L30 HydrophobicContact CB-CD1 3.27Å; A6-L30 HydrophobicContact CB-CD2 4.05Å; A6-L30 HydrophobicContact CB-CG 3.61Å; K11-L30 HydrophobicContact CD-CD1 4.45Å; K11-L30 HydrophobicContact CG-CD1 3.89Å; N26-L30 PolarHBondContact O-N 3.46Å; E27-L30 WeakPolarHBondContact O-CB 3.31Å; E27-L30 PolarHBondContact O-N 3.04Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 2.85Å; L30-H33 PolarHBondContact O-N 3.43Å; L30-N34 WeakPolarHBondContact O-CB 3.3Å; L30-N34 VanDerWaalsContact O-CG 3.29Å; L30-N34 PolarHBondContact O-N 3.42Å |
| 31 | L | 63.7 | Low | 61.4 | Low | 66 Ų | 66 | 70.7 Ų | 70.7 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | -179.7 | -154.6 | 86.6 | 0 | 0 | 0 | 110.8 | E27 Q28 L29 N34 I35 F65 | E27-L31 WeakPolarHBondContact O-CB 3.47Å; E27-L31 PolarHBondContact O-N 3.27Å; Q28-L31 WeakPolarHBondContact O-CB 3.25Å; Q28-L31 PolarHBondContact O-N 2.84Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.17Å; L31-N34 PolarHBondContact O-N 2.85Å; L31-I35 HydrophobicContact CD2-CD1 3.94Å; L31-I35 HydrophobicContact CG-CD1 3.78Å; L31-I35 WeakPolarHBondContact O-CB 3.18Å; L31-I35 WeakPolarHBondContact O-CD1 3.36Å; L31-I35 WeakPolarHBondContact O-CG1 3.07Å; L31-I35 PolarHBondContact O-N 3.06Å; L31-F65 HydrophobicContact CD2-CE1 3.74Å; L31-F65 HydrophobicContact CD2-CE2 4.14Å; L31-F65 HydrophobicContact CD2-CZ 3.41Å; L31-F65 VanDerWaalsContact CD2-CZ 3.41Å |
| 32 | L | 63 | Low | 61.3 | Low | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 175 | -91.2 | 156.7 | 0 | 0 | 0 | 111.2 | L24 Q28 L29 N34 I35 F36 I40 L44 I54 | L24-L32 HydrophobicContact CD1-CD1 3.98Å; Q28-L32 WeakPolarHBondContact O-CB 3.49Å; Q28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 2.92Å; L32-N34 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 3.23Å; L32-F36 HydrophobicContact CD2-CD2 3.93Å; L32-F36 HydrophobicContact CD2-CE2 4.04Å; L32-F36 WeakPolarHBondContact O-CB 3.39Å; L32-F36 WeakPolarHBondContact O-CD2 3.25Å; L32-F36 PolarHBondContact O-N 3.4Å; L32-I40 HydrophobicContact CD2-CG2 4.18Å; L32-L44 HydrophobicContact CD1-CD1 4.26Å; L32-L44 HydrophobicContact CD2-CD1 4.41Å; L32-I54 HydrophobicContact CD1-CD1 3.99Å; L32-I54 HydrophobicContact CD2-CD1 3.91Å; L32-I54 HydrophobicContact CG-CD1 4.11Å |
| 33 | H | 64.1 | Low | 60.8 | Low | 39 Ų | 39 | 69.6 Ų | 69.6 | 18% | 0.181 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.4 | 178.6 | -84.5 | 0 | 0 | 0 | 112.3 | L10 L14 L29 L30 I35 G37 | L10-H33 HydrophobicContact CD2-CB 4.34Å; L10-H33 WeakPolarHBondContact CD2-ND1 3.33Å; L14-H33 HydrophobicContact CD1-CB 4.26Å; L29-H33 PolarHBondContact O-N 3.36Å; L30-H33 PolarHBondContact O-N 3.43Å; H33-I35 VanDerWaalsContact C-N 3.34Å; H33-I35 PolarHBondContact O-N 3.49Å; H33-G37 WeakPolarHBondContact O-CA 3.09Å; H33-G37 PolarHBondContact O-N 2.99Å |
| 34 | N | 63.6 | Low | 60 | Low | 78 Ų | 78 | 62.3 Ų | 62.3 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -30.1 | -179.6 | -77.5 | -8 | 0 | 0 | 0 | 113.5 | L30 L31 L32 | L30-N34 WeakPolarHBondContact O-CB 3.3Å; L30-N34 VanDerWaalsContact O-CG 3.29Å; L30-N34 PolarHBondContact O-N 3.42Å; L31-N34 PolarHBondContact O-N 2.85Å; L32-N34 PolarHBondContact O-N 3.39Å |
| 35 | I | 57.7 | Low | 59.3 | Low | 76 Ų | 76 | 64.1 Ų | 64.1 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -81.4 | -39.9 | 179.5 | -66.2 | 162.8 | 0 | 0 | 0 | 110.9 | L31 L32 H33 F65 | L31-I35 HydrophobicContact CD2-CD1 3.94Å; L31-I35 HydrophobicContact CG-CD1 3.78Å; L31-I35 WeakPolarHBondContact O-CB 3.18Å; L31-I35 WeakPolarHBondContact O-CD1 3.36Å; L31-I35 WeakPolarHBondContact O-CG1 3.07Å; L31-I35 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 3.23Å; H33-I35 VanDerWaalsContact C-N 3.34Å; H33-I35 PolarHBondContact O-N 3.49Å; I35-F65 HydrophobicContact CD1-CD2 3.4Å; I35-F65 HydrophobicContact CD1-CE2 3.39Å; I35-F65 HydrophobicContact CD1-CG 4.07Å; I35-F65 HydrophobicContact CD1-CZ 4.07Å |
| 36 | F | 61.7 | Low | 58.3 | Low | 64 Ų | 64 | 63.1 Ų | 63.1 | 28% | 0.281 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -119.9 | -7.2 | -165.3 | -60.3 | -73.6 | 0 | 0 | 0 | 114.9 | L32 I40 V67 | L32-F36 HydrophobicContact CD2-CD2 3.93Å; L32-F36 HydrophobicContact CD2-CE2 4.04Å; L32-F36 WeakPolarHBondContact O-CB 3.39Å; L32-F36 WeakPolarHBondContact O-CD2 3.25Å; L32-F36 PolarHBondContact O-N 3.4Å; F36-I40 HydrophobicContact CB-CB 3.5Å; F36-I40 VanDerWaalsContact CB-CB 3.5Å; F36-I40 HydrophobicContact CB-CD1 3.52Å; F36-I40 HydrophobicContact CB-CG1 3.51Å; F36-I40 HydrophobicContact CB-CG2 4.2Å; F36-I40 HydrophobicContact CD1-CD1 3.27Å; F36-I40 HydrophobicContact CD1-CG1 4.12Å; F36-I40 HydrophobicContact CD2-CD1 3.71Å; F36-I40 HydrophobicContact CD2-CG2 4.43Å; F36-I40 HydrophobicContact CE1-CD1 3.76Å; F36-I40 HydrophobicContact CE2-CD1 4.15Å; F36-I40 HydrophobicContact CG-CB 4.16Å; F36-I40 HydrophobicContact CG-CD1 3.24Å; F36-I40 HydrophobicContact CG-CG1 3.86Å; F36-I40 HydrophobicContact CZ-CD1 4.18Å; F36-V67 HydrophobicContact CE1-CG2 4.26Å; F36-V67 HydrophobicContact CE2-CG2 3.92Å; F36-V67 HydrophobicContact CZ-CG2 3.47Å; F36-V67 VanDerWaalsContact CZ-CG2 3.47Å |
| 37 | G | 66.7 | Low | 57.3 | Low | 27 Ų | 27 | 62.1 Ų | 62.1 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | 61.7 | -161.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H33 L39 I40 | H33-G37 WeakPolarHBondContact O-CA 3.09Å; H33-G37 PolarHBondContact O-N 2.99Å; G37-L39 PolarHBondContact O-N 3.39Å; G37-L39 VanDerWaalsContact O-N 3.13Å; G37-I40 PolarHBondContact O-N 2.9Å |
| 38 | D | 62.9 | Low | 56.5 | Low | 106 Ų | 106 | 62.3 Ų | 62.3 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.5 | -22.9 | -179.2 | -119.6 | 23 | 0 | 0 | 0 | 113.7 | M41 K42 | D38-M41 WeakPolarHBondContact O-CB 3.48Å; D38-M41 PolarHBondContact O-N 2.8Å; D38-K42 PolarHBondContact O-N 3.44Å |
| 39 | L | 53.7 | Low | 55.8 | Low | 146 Ų | 146 | 63 Ų | 63 | 76% | 0.764 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.4 | -37.4 | -173.7 | -151 | 79.4 | 0 | 0 | 0 | 112.4 | G37 A43 | G37-L39 PolarHBondContact O-N 3.39Å; G37-L39 VanDerWaalsContact O-N 3.13Å; L39-A43 PolarHBondContact O-N 3.49Å; L39-A43 VanDerWaalsContact O-N 3.16Å |
| 40 | I | 55.2 | Low | 54.8 | Low | 30 Ų | 30 | 64.3 Ų | 64.3 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -83.2 | -23.2 | 175.6 | -76.4 | -159 | 0 | 0 | 0 | 112.7 | L32 F36 G37 K42 A43 L44 | L32-I40 HydrophobicContact CD2-CG2 4.18Å; F36-I40 HydrophobicContact CB-CB 3.5Å; F36-I40 VanDerWaalsContact CB-CB 3.5Å; F36-I40 HydrophobicContact CB-CD1 3.52Å; F36-I40 HydrophobicContact CB-CG1 3.51Å; F36-I40 HydrophobicContact CB-CG2 4.2Å; F36-I40 HydrophobicContact CD1-CD1 3.27Å; F36-I40 HydrophobicContact CD1-CG1 4.12Å; F36-I40 HydrophobicContact CD2-CD1 3.71Å; F36-I40 HydrophobicContact CD2-CG2 4.43Å; F36-I40 HydrophobicContact CE1-CD1 3.76Å; F36-I40 HydrophobicContact CE2-CD1 4.15Å; F36-I40 HydrophobicContact CG-CB 4.16Å; F36-I40 HydrophobicContact CG-CD1 3.24Å; F36-I40 HydrophobicContact CG-CG1 3.86Å; F36-I40 HydrophobicContact CZ-CD1 4.18Å; G37-I40 PolarHBondContact O-N 2.9Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.48Å; I40-A43 HydrophobicContact CG1-CB 4.5Å; I40-A43 CarbonylContact O-C 3.52Å; I40-A43 WeakPolarHBondContact O-CA 3.35Å; I40-A43 WeakPolarHBondContact O-CB 3.04Å; I40-A43 PolarHBondContact O-N 3.45Å; I40-L44 HydrophobicContact CG2-CD1 3.93Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.44Å; I40-L44 PolarHBondContact O-N 3.25Å |
| 41 | M | 53.7 | Low | 53.8 | Low | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 168.4 | -98.4 | -86.1 | -94.7 | 0 | 0 | 111.8 | L14 Q17 D38 L44 L45 | L14-M41 HydrophobicContact CB-CE 4.17Å; L14-M41 HydrophobicContact CD2-CE 3.34Å; L14-M41 HydrophobicContact CD2-CG 3.6Å; L14-M41 HydrophobicContact CD2-SD 3.07Å; L14-M41 WeakPolarHBondContact CD2-SD 3.46Å; L14-M41 HydrophobicContact CG-CE 3.47Å; L14-M41 VanDerWaalsContact CG-CE 3.47Å; L14-M41 HydrophobicContact CG-SD 3.91Å; Q17-M41 HydrophobicContact CB-CE 4.43Å; D38-M41 WeakPolarHBondContact O-CB 3.48Å; D38-M41 PolarHBondContact O-N 2.8Å; M41-L44 PolarHBondContact O-N 3.49Å; M41-L45 PolarHBondContact O-N 3.11Å |
| 42 | K | 52.4 | Low | 53.1 | Low | 137 Ų | 137 | 64.7 Ų | 64.7 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 169.3 | -67 | 180 | -178.1 | -177.2 | 0 | 112.1 | D38 I40 L45 I46 | D38-K42 PolarHBondContact O-N 3.44Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.48Å; K42-L45 WeakPolarHBondContact O-CB 3.42Å; K42-L45 PolarHBondContact O-N 2.91Å; K42-I46 WeakPolarHBondContact O-CD1 3.44Å; K42-I46 VanDerWaalsContact O-CG1 3.28Å; K42-I46 WeakPolarHBondContact O-CG1 3.47Å; K42-I46 PolarHBondContact O-N 3.04Å; K42-I46 VanDerWaalsContact O-N 3.15Å |
| 43 | A | 46.9 | Very low | 52.3 | Low | 31 Ų | 31 | 67.2 Ų | 67.2 | 26% | 0.256 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L39 I40 I46 V47 | L39-A43 PolarHBondContact O-N 3.49Å; L39-A43 VanDerWaalsContact O-N 3.16Å; I40-A43 HydrophobicContact CG1-CB 4.5Å; I40-A43 CarbonylContact O-C 3.52Å; I40-A43 WeakPolarHBondContact O-CA 3.35Å; I40-A43 WeakPolarHBondContact O-CB 3.04Å; I40-A43 PolarHBondContact O-N 3.45Å; A43-I46 CarbonylContact O-C 3.44Å; A43-I46 WeakPolarHBondContact O-CA 3.4Å; A43-I46 WeakPolarHBondContact O-CB 3.19Å; A43-I46 PolarHBondContact O-N 2.91Å; A43-V47 VanDerWaalsContact O-CG2 3.31Å; A43-V47 WeakPolarHBondContact O-CG2 3.5Å; A43-V47 PolarHBondContact O-N 3.31Å; A43-V47 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 47.9 | Very low | 51.5 | Low | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -75.7 | -30.2 | 175.7 | -93.4 | 161.2 | 0 | 0 | 0 | 112.1 | L18 L32 I40 M41 I46 V47 I52 | L18-L44 HydrophobicContact CD2-CB 3.87Å; L18-L44 HydrophobicContact CD2-CD2 3.93Å; L18-L44 HydrophobicContact CD2-CG 4.32Å; L32-L44 HydrophobicContact CD1-CD1 4.26Å; L32-L44 HydrophobicContact CD2-CD1 4.41Å; I40-L44 HydrophobicContact CG2-CD1 3.93Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.44Å; I40-L44 PolarHBondContact O-N 3.25Å; M41-L44 PolarHBondContact O-N 3.49Å; L44-I46 VanDerWaalsContact C-N 3.26Å; L44-V47 HydrophobicContact CD2-CG1 4.34Å; L44-V47 VanDerWaalsContact O-CB 3.3Å; L44-V47 WeakPolarHBondContact O-CB 3.34Å; L44-V47 PolarHBondContact O-N 3.28Å; L44-I52 HydrophobicContact CD2-CD1 3.74Å; L44-I52 HydrophobicContact CG-CD1 3.98Å |
| 45 | L | 47.6 | Very low | 50.5 | Low | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | 164 | -101.4 | 152.6 | 0 | 0 | 0 | 111.6 | Q17 M41 K42 V47 | Q17-L45 HydrophobicContact CB-CD1 4.03Å; Q17-L45 HydrophobicContact CG-CD1 4.42Å; Q17-L45 WeakPolarHBondContact O-CD2 3.39Å; Q17-L45 WeakPolarHBondContact O-CG 3.39Å; M41-L45 PolarHBondContact O-N 3.11Å; K42-L45 WeakPolarHBondContact O-CB 3.42Å; K42-L45 PolarHBondContact O-N 2.91Å; L45-V47 VanDerWaalsContact C-N 3.26Å; L45-V47 PolarHBondContact O-N 2.86Å |
| 46 | I | 44.3 | Very low | 49.9 | Very low | 55 Ų | 55 | 74.2 Ų | 74.2 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -75.4 | -15.7 | 173.5 | -61.3 | 161.7 | 0 | 0 | 0 | 111.9 | K42 A43 L44 E48 C49 F71 F74 | K42-I46 WeakPolarHBondContact O-CD1 3.44Å; K42-I46 VanDerWaalsContact O-CG1 3.28Å; K42-I46 WeakPolarHBondContact O-CG1 3.47Å; K42-I46 PolarHBondContact O-N 3.04Å; K42-I46 VanDerWaalsContact O-N 3.15Å; A43-I46 CarbonylContact O-C 3.44Å; A43-I46 WeakPolarHBondContact O-CA 3.4Å; A43-I46 WeakPolarHBondContact O-CB 3.19Å; A43-I46 PolarHBondContact O-N 2.91Å; L44-I46 VanDerWaalsContact C-N 3.26Å; I46-E48 PolarHBondContact O-N 3.08Å; I46-C49 PolarHBondContact O-N 3.26Å; I46-C49 VanDerWaalsContact O-N 3.13Å; I46-F71 HydrophobicContact CG2-CE1 4.46Å; I46-F71 HydrophobicContact CG2-CE2 3.89Å; I46-F71 HydrophobicContact CG2-CZ 3.49Å; I46-F71 VanDerWaalsContact CG2-CZ 3.49Å; I46-F74 HydrophobicContact CD1-CE2 4.33Å; I46-F74 HydrophobicContact CD1-CZ 4.1Å; I46-F74 HydrophobicContact CG1-CE2 4.27Å; I46-F74 HydrophobicContact CG1-CZ 4.5Å; I46-F74 HydrophobicContact CG2-CD2 3.95Å; I46-F74 HydrophobicContact CG2-CE2 4.14Å |
| 47 | V | 44.6 | Very low | 49.1 | Very low | 40 Ų | 40 | 74 Ų | 74 | 24% | 0.242 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -74.8 | -3 | 179.6 | 153.6 | 0 | 0 | 0 | 0 | 114.5 | A43 L44 L45 C49 G50 I52 | A43-V47 VanDerWaalsContact O-CG2 3.31Å; A43-V47 WeakPolarHBondContact O-CG2 3.5Å; A43-V47 PolarHBondContact O-N 3.31Å; A43-V47 VanDerWaalsContact O-N 3.09Å; L44-V47 HydrophobicContact CD2-CG1 4.34Å; L44-V47 VanDerWaalsContact O-CB 3.3Å; L44-V47 WeakPolarHBondContact O-CB 3.34Å; L44-V47 PolarHBondContact O-N 3.28Å; L45-V47 VanDerWaalsContact C-N 3.26Å; L45-V47 PolarHBondContact O-N 2.86Å; V47-C49 PolarHBondContact O-N 3.25Å; V47-G50 VanDerWaalsContact CG1-O 3.25Å; V47-G50 WeakPolarHBondContact CG1-O 3.46Å; V47-G50 WeakPolarHBondContact CG2-O 3.45Å; V47-G50 PolarHBondContact O-N 2.95Å; V47-I52 HydrophobicContact CG2-CD1 3.47Å; V47-I52 VanDerWaalsContact CG2-CD1 3.47Å; V47-I52 HydrophobicContact CG2-CG1 3.6Å |
| 48 | E | 45.9 | Very low | 48.3 | Very low | 154 Ų | 154 | 83.1 Ų | 83.1 | 72% | 0.72 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -54.4 | -9.9 | 157 | -77.7 | -161.9 | 152.6 | 0 | 0 | 112.7 | P19 I46 | P19-E48 HydrophobicContact CG-CG 3.74Å; I46-E48 PolarHBondContact O-N 3.08Å |
| 49 | C | 46.1 | Very low | 47.4 | Very low | 110 Ų | 110 | 82.2 Ų | 82.2 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -111.8 | 4.1 | 172.9 | -71.5 | 0 | 0 | 0 | 0 | 117 | I46 V47 | I46-C49 PolarHBondContact O-N 3.26Å; I46-C49 VanDerWaalsContact O-N 3.13Å; V47-C49 PolarHBondContact O-N 3.25Å |
| 50 | G | 44.7 | Very low | 46.9 | Very low | 27 Ų | 27 | 79.9 Ų | 79.9 | 28% | 0.278 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 178.1 | 146.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | V47 | V47-G50 VanDerWaalsContact CG1-O 3.25Å; V47-G50 WeakPolarHBondContact CG1-O 3.46Å; V47-G50 WeakPolarHBondContact CG2-O 3.45Å; V47-G50 PolarHBondContact O-N 2.95Å |
| 51 | S | 44 | Very low | 46.4 | Very low | 77 Ų | 77 | 87.7 Ų | 87.7 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 135.2 | -174.9 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 52 | I | 48.5 | Very low | 45.7 | Very low | 40 Ų | 40 | 93.9 Ų | 93.9 | 21% | 0.205 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121 | 163.1 | -68.9 | 179.2 | 0 | 0 | 0 | 109.3 | L44 V47 I54 V67 | L44-I52 HydrophobicContact CD2-CD1 3.74Å; L44-I52 HydrophobicContact CG-CD1 3.98Å; V47-I52 HydrophobicContact CG2-CD1 3.47Å; V47-I52 VanDerWaalsContact CG2-CD1 3.47Å; V47-I52 HydrophobicContact CG2-CG1 3.6Å; I52-I54 HydrophobicContact CG2-CD1 4.39Å; I52-I54 HydrophobicContact CG2-CG1 3.76Å; I52-V67 HydrophobicContact CG2-CG1 3.97Å |
| 53 | T | 46.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.4 | 167.2 | -45.1 | 0 | 0 | 0 | 0 | 109.4 | E55 I68 | T53-E55 HydrophobicContact CG2-CG 4.33Å; T53-I68 PolarHBondContact N-O 3.27Å; T53-I68 PolarHBondContact O-N 3.27Å |
| 54 | I | 46.6 | Very low | 44.8 | Very low | 68 Ų | 68 | 99.5 Ų | 99.5 | 35% | 0.349 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 103.9 | 176 | -55.4 | 179.2 | 0 | 0 | 0 | 108.6 | L32 I52 F65 R66 | L32-I54 HydrophobicContact CD1-CD1 3.99Å; L32-I54 HydrophobicContact CD2-CD1 3.91Å; L32-I54 HydrophobicContact CG-CD1 4.11Å; I52-I54 HydrophobicContact CG2-CD1 4.39Å; I52-I54 HydrophobicContact CG2-CG1 3.76Å; I54-F65 HydrophobicContact CG2-CB 4.26Å; I54-F65 HydrophobicContact CG2-CD1 3.61Å; I54-F65 HydrophobicContact CG2-CG 4.4Å; I54-R66 WeakPolarHBondContact CA-O 3.49Å |
| 55 | E | 43.8 | Very low | 44.7 | Very low | 110 Ų | 110 | 101.1 Ų | 101.1 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.5 | 174.8 | -71.8 | -174 | 151.7 | 0 | 0 | 111.2 | T53 R66 | T53-E55 HydrophobicContact CG2-CG 4.33Å; E55-R66 HydrophobicContact CB-CB 4.44Å; E55-R66 PolarHBondContact N-O 3.44Å; E55-R66 PolarHBondContact O-N 3.44Å |
| 56 | R | 43.6 | Very low | 44.4 | Very low | 162 Ų | 162 | 104.9 Ų | 104.9 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.8 | 178.6 | -168.3 | 177.2 | 179.7 | 168.7 | -2.7 | 109.1 | ||
| 57 | S | 44.8 | Very low | 44.5 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | trans | -67.3 | 139 | 177.7 | 101.3 | 0 | 0 | 0 | 0 | 110.9 | S59 | S57-S59 VanDerWaalsContact C-N 3.33Š| ||
| 58 | K | 50 | Low | 44.5 | Very low | 220 Ų | 220 | 106 Ų | 106 | 96% | 0.957 | 54% | 0.538 | S | S | * | . | trans | -82.5 | -4.1 | -177.8 | -71.4 | -175.7 | 178.8 | 177.6 | 0 | 114 | ||||
| 59 | S | 45.4 | Very low | 44.6 | Very low | 87 Ų | 87 | 101.3 Ų | 101.3 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -127.3 | 129.9 | -167.3 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | S57 | S57-S59 VanDerWaalsContact C-N 3.33Š|
| 60 | S | 41.4 | Very low | 44.5 | Very low | 97 Ų | 97 | 101.5 Ų | 101.5 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 72.9 | 155.5 | 169.6 | 77.5 | 0 | 0 | 0 | 0 | 117.4 | H62 | S60-H62 PolarHBondContact O-N 3.49Š|
| 61 | Q | 45.1 | Very low | 44.5 | Very low | 193 Ų | 193 | 105 Ų | 105 | 90% | 0.902 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -56.1 | -0.6 | -163.2 | -69.8 | 166.6 | -26.7 | 0 | 0 | 116.6 | ||
| 62 | H | 39.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 108.2 Ų | 108.2 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -111.8 | 115.4 | 178.1 | -70.8 | -105.4 | 0 | 0 | 0 | 109.9 | S60 L64 | S60-H62 PolarHBondContact O-N 3.49Å; H62-L64 PolarHBondContact O-N 3.05Å |
| 63 | R | 41.6 | Very low | 43.7 | Very low | 167 Ų | 167 | 113.3 Ų | 113.3 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | trans | -72.5 | 93.7 | 175.2 | -64.7 | -175.9 | -175.6 | -177.3 | 2.9 | 109.2 | F65 | R63-F65 HydrophobicContact CB-CD2 4.46Å; R63-F65 HydrophobicContact CB-CE2 3.61Å; R63-F65 HydrophobicContact CB-CZ 4Å; R63-F65 WeakPolarHBondContact O-CD2 3.42Å; R63-F65 WeakPolarHBondContact O-CE2 3.21Å | ||
| 64 | L | 39.7 | Very low | 43.1 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | trans | -80.9 | 127.4 | 169.7 | -77.3 | 158.9 | 0 | 0 | 0 | 109.7 | H62 | H62-L64 PolarHBondContact O-N 3.05Š| ||
| 65 | F | 44.5 | Very low | 42.4 | Very low | 46 Ų | 46 | 117.6 Ų | 117.6 | 20% | 0.202 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.2 | 173.3 | -63.1 | -86.6 | 0 | 0 | 0 | 108 | L31 I35 I54 R63 | L31-F65 HydrophobicContact CD2-CE1 3.74Å; L31-F65 HydrophobicContact CD2-CE2 4.14Å; L31-F65 HydrophobicContact CD2-CZ 3.41Å; L31-F65 VanDerWaalsContact CD2-CZ 3.41Å; I35-F65 HydrophobicContact CD1-CD2 3.4Å; I35-F65 HydrophobicContact CD1-CE2 3.39Å; I35-F65 HydrophobicContact CD1-CG 4.07Å; I35-F65 HydrophobicContact CD1-CZ 4.07Å; I54-F65 HydrophobicContact CG2-CB 4.26Å; I54-F65 HydrophobicContact CG2-CD1 3.61Å; I54-F65 HydrophobicContact CG2-CG 4.4Å; R63-F65 HydrophobicContact CB-CD2 4.46Å; R63-F65 HydrophobicContact CB-CE2 3.61Å; R63-F65 HydrophobicContact CB-CZ 4Å; R63-F65 WeakPolarHBondContact O-CD2 3.42Å; R63-F65 WeakPolarHBondContact O-CE2 3.21Å |
| 66 | R | 42.2 | Very low | 41.8 | Very low | 163 Ų | 163 | 117.6 Ų | 117.6 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.9 | 171.3 | -166.3 | -180 | -168.4 | 179.8 | 4 | 108.2 | I54 E55 I68 | I54-R66 WeakPolarHBondContact CA-O 3.49Å; E55-R66 HydrophobicContact CB-CB 4.44Å; E55-R66 PolarHBondContact N-O 3.44Å; E55-R66 PolarHBondContact O-N 3.44Å; R66-I68 HydrophobicContact CG-CG1 4.23Å |
| 67 | V | 46.2 | Very low | 41.1 | Very low | 46 Ų | 46 | 112.3 Ų | 112.3 | 28% | 0.279 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.3 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | F36 I52 | F36-V67 HydrophobicContact CE1-CG2 4.26Å; F36-V67 HydrophobicContact CE2-CG2 3.92Å; F36-V67 HydrophobicContact CZ-CG2 3.47Å; F36-V67 VanDerWaalsContact CZ-CG2 3.47Å; I52-V67 HydrophobicContact CG2-CG1 3.97Å |
| 68 | I | 44.8 | Very low | 40.5 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.8 | 174.5 | -57.9 | 175.3 | 0 | 0 | 0 | 107.5 | T53 R66 | T53-I68 PolarHBondContact N-O 3.27Å; T53-I68 PolarHBondContact O-N 3.27Å; R66-I68 HydrophobicContact CG-CG1 4.23Å |
| 69 | C | 47.3 | Very low | 39.7 | Very low | 57 Ų | 57 | 115 Ų | 115 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 124 | 175.6 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | F71 | C69-F71 HydrophobicContact CB-CD2 4.37Å; C69-F71 PolarHBondContact O-N 2.98Å |
| 70 | N | 44.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | trans | -85 | 90.9 | 170.8 | -85.6 | -17.4 | 0 | 0 | 0 | 109.8 | ||||
| 71 | F | 45 | Very low | 38.7 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 44% | 0.439 | 61% | 0.613 | S | S | . | * | trans | -93.1 | 101.1 | 174.5 | -111.6 | -119.1 | 0 | 0 | 0 | 109.8 | I46 C69 F74 | I46-F71 HydrophobicContact CG2-CE1 4.46Å; I46-F71 HydrophobicContact CG2-CE2 3.89Å; I46-F71 HydrophobicContact CG2-CZ 3.49Å; I46-F71 VanDerWaalsContact CG2-CZ 3.49Å; C69-F71 HydrophobicContact CB-CD2 4.37Å; C69-F71 PolarHBondContact O-N 2.98Å; F71-F74 HydrophobicContact CD1-CB 3.48Å; F71-F74 VanDerWaalsContact CD1-CB 3.48Å; F71-F74 HydrophobicContact CD1-CG 4.4Å; F71-F74 HydrophobicContact CE1-CB 3.11Å; F71-F74 AromaticContact CE1-CD1 3.76Å; F71-F74 HydrophobicContact CE1-CD1 3.76Å; F71-F74 HydrophobicContact CE1-CD2 4.49Å; F71-F74 AromaticContact CE1-CG 3.57Å; F71-F74 HydrophobicContact CE1-CG 3.57Å; F71-F74 HydrophobicContact CZ-CB 4Å; F71-F74 HydrophobicContact CZ-CD1 4.43Å; F71-F74 HydrophobicContact CZ-CG 4.18Å | ||
| 72 | I | 39 | Very low | 38.4 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -107.6 | -22.7 | 168.9 | -67 | 179.2 | 0 | 0 | 0 | 112.1 | ||
| 73 | H | 35.5 | Very low | 38.4 | Very low | 148 Ų | 148 | 121.2 Ų | 121.2 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -111.3 | -17.1 | -168 | -103 | -82.1 | 0 | 0 | 0 | 118.3 | ||
| 74 | F | 34.8 | Very low | 38.2 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 40% | 0.395 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -82.4 | -26.8 | -170.9 | -157 | -100.3 | 0 | 0 | 0 | 114.6 | I46 F71 N76 G77 F78 | I46-F74 HydrophobicContact CD1-CE2 4.33Å; I46-F74 HydrophobicContact CD1-CZ 4.1Å; I46-F74 HydrophobicContact CG1-CE2 4.27Å; I46-F74 HydrophobicContact CG1-CZ 4.5Å; I46-F74 HydrophobicContact CG2-CD2 3.95Å; I46-F74 HydrophobicContact CG2-CE2 4.14Å; F71-F74 HydrophobicContact CD1-CB 3.48Å; F71-F74 VanDerWaalsContact CD1-CB 3.48Å; F71-F74 HydrophobicContact CD1-CG 4.4Å; F71-F74 HydrophobicContact CE1-CB 3.11Å; F71-F74 AromaticContact CE1-CD1 3.76Å; F71-F74 HydrophobicContact CE1-CD1 3.76Å; F71-F74 HydrophobicContact CE1-CD2 4.49Å; F71-F74 AromaticContact CE1-CG 3.57Å; F71-F74 HydrophobicContact CE1-CG 3.57Å; F71-F74 HydrophobicContact CZ-CB 4Å; F71-F74 HydrophobicContact CZ-CD1 4.43Å; F71-F74 HydrophobicContact CZ-CG 4.18Å; F74-N76 PolarHBondContact O-N 2.95Å; F74-G77 PolarHBondContact O-N 2.76Å; F74-F78 HydrophobicContact CD1-CD2 4.13Å; F74-F78 HydrophobicContact CD1-CE2 4.41Å; F74-F78 AromaticContact CE1-CD2 3.64Å; F74-F78 HydrophobicContact CE1-CD2 3.64Å; F74-F78 AromaticContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CE1-CE2 3.5Å; F74-F78 VanDerWaalsContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CZ-CD2 4.38Å; F74-F78 AromaticContact CZ-CE2 3.98Å; F74-F78 HydrophobicContact CZ-CE2 3.98Å |
| 75 | L | 31.8 | Very low | 38.1 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -22.8 | -179.3 | -72.9 | 171.5 | 0 | 0 | 0 | 112.9 | G77 | L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 2.99Å |
| 76 | N | 31.6 | Very low | 37.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.5 | -15.8 | 175 | -76 | -32.6 | 0 | 0 | 0 | 113.7 | F74 | F74-N76 PolarHBondContact O-N 2.95Å |
| 77 | G | 29.4 | Very low | 37.4 | Very low | 51 Ų | 51 | 120.6 Ų | 120.6 | 53% | 0.526 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -87.3 | -27.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | F74 L75 | F74-G77 PolarHBondContact O-N 2.76Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 2.99Å |
| 78 | F | 31.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.6 | -12.3 | 179.7 | -101.8 | -87.6 | 0 | 0 | 0 | 114.1 | F74 | F74-F78 HydrophobicContact CD1-CD2 4.13Å; F74-F78 HydrophobicContact CD1-CE2 4.41Å; F74-F78 AromaticContact CE1-CD2 3.64Å; F74-F78 HydrophobicContact CE1-CD2 3.64Å; F74-F78 AromaticContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CE1-CE2 3.5Å; F74-F78 VanDerWaalsContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CZ-CD2 4.38Å; F74-F78 AromaticContact CZ-CE2 3.98Å; F74-F78 HydrophobicContact CZ-CE2 3.98Å |
| 79 | Q | 32.3 | Very low | 36.1 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 81% | 0.808 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 3.4 | 175 | -97.1 | -163.5 | -26 | 0 | 0 | 114.4 | ||
| 80 | K | 32.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.787 | 68% | 0.684 | S | S | * | * | trans | -115.6 | 7.1 | -173.9 | -95.1 | -170.1 | 177.3 | -176.5 | 0 | 117.1 | ||||
| 81 | N | 34.6 | Very low | 34.3 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 100% | 1.225 | 69% | 0.691 | S | S | * | * | trans | -128.8 | 0 | 171.1 | -78.3 | -17 | 0 | 0 | 0 | 111.4 |
Retrieved 81 of 81 residues in 144 ms
(Link to these results)