| 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 | 42.4 | Very low | 59.9 | Low | 237 Ų | 237 | 112.5 Ų | 112.5 | 100% | 1.167 | 57% | 0.573 | S | S | * | * | 0 | 96.3 | 0 | -84.7 | 165.7 | 146.4 | 0 | 0 | 110.2 | |||||
| 2 | K | 52.3 | Low | 60.8 | Low | 187 Ų | 187 | 111.1 Ų | 111.1 | 81% | 0.813 | 57% | 0.566 | S | S | * | * | trans | -133.7 | -0.9 | 172.1 | -77.6 | 179.9 | 177.2 | 165.7 | 0 | 112.8 | ||||
| 3 | L | 50.3 | Low | 61.7 | Low | 130 Ų | 130 | 106 Ų | 106 | 68% | 0.681 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.6 | -39.4 | -172 | -147.9 | 68.4 | 0 | 0 | 0 | 115.3 | V5 F6 F7 | L3-V5 VanDerWaalsContact C-N 3.27Å; L3-V5 PolarHBondContact O-N 3.44Å; L3-F6 PolarHBondContact O-N 3.33Å; L3-F7 PolarHBondContact O-N 3.06Å |
| 4 | P | 53.9 | Low | 62.8 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -27.7 | -178.6 | 25.9 | -32.9 | 0 | 0 | 0 | 112.6 | F6 G8 | P4-F6 VanDerWaalsContact C-N 3.33Å; P4-F6 PolarHBondContact O-N 2.98Å; P4-G8 PolarHBondContact O-N 3.05Å; P4-G8 VanDerWaalsContact O-N 3.15Å |
| 5 | V | 55 | Low | 63.3 | Low | 109 Ų | 109 | 98.9 Ų | 98.9 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -36.3 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | L3 F9 | L3-V5 VanDerWaalsContact C-N 3.27Å; L3-V5 PolarHBondContact O-N 3.44Å; V5-F9 WeakPolarHBondContact O-CB 3.5Å; V5-F9 PolarHBondContact O-N 2.91Å |
| 6 | F | 61.3 | Low | 63.7 | Low | 108 Ų | 108 | 100.3 Ų | 100.3 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | -179.1 | -158.5 | -102.7 | 0 | 0 | 0 | 111.7 | L3 P4 F9 I10 | L3-F6 PolarHBondContact O-N 3.33Å; P4-F6 VanDerWaalsContact C-N 3.33Å; P4-F6 PolarHBondContact O-N 2.98Å; F6-F9 PolarHBondContact O-N 3.42Å; F6-I10 HydrophobicContact CD1-CD1 3.48Å; F6-I10 VanDerWaalsContact CD1-CD1 3.48Å; F6-I10 HydrophobicContact CD1-CG1 4.28Å; F6-I10 HydrophobicContact CE1-CD1 3.47Å; F6-I10 VanDerWaalsContact CE1-CD1 3.47Å; F6-I10 HydrophobicContact CE1-CG1 4.25Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 4.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.22Å |
| 7 | F | 66.1 | Low | 63.9 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.4 | -164.8 | -103.6 | 0 | 0 | 0 | 111.7 | L3 F9 I10 I11 | L3-F7 PolarHBondContact O-N 3.06Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 3.43Å; F7-I10 PolarHBondContact O-N 3.42Å; F7-I11 HydrophobicContact CD1-CD1 3.66Å; F7-I11 HydrophobicContact CD1-CG1 4.4Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CE1-CG1 4.25Å; F7-I11 HydrophobicContact CZ-CD1 4.22Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.48Å |
| 8 | G | 65.9 | Low | 64.1 | Low | 30 Ų | 30 | 101.5 Ų | 101.5 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P4 I11 I12 | P4-G8 PolarHBondContact O-N 3.05Å; P4-G8 VanDerWaalsContact O-N 3.15Å; G8-I11 PolarHBondContact O-N 2.98Å; G8-I12 WeakPolarHBondContact O-CD1 3.36Å; G8-I12 VanDerWaalsContact O-CG1 3.29Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.28Å |
| 9 | F | 67.6 | Low | 64.1 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 177.3 | -168.8 | -107.8 | 0 | 0 | 0 | 112.6 | V5 F6 F7 I12 I13 | V5-F9 WeakPolarHBondContact O-CB 3.5Å; V5-F9 PolarHBondContact O-N 2.91Å; F6-F9 PolarHBondContact O-N 3.42Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 3.3Å; F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.26Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CG-CD1 4.37Å; F9-I13 HydrophobicContact CZ-CD1 3.92Å; F9-I13 HydrophobicContact CZ-CG1 4.48Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.02Å |
| 10 | I | 71.8 | Confident | 64.7 | Low | 17 Ų | 17 | 105.1 Ų | 105.1 | 9% | 0.087 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 174.2 | -72 | 167.1 | 0 | 0 | 0 | 110.7 | F6 F7 I12 I13 I14 Q33 | F6-I10 HydrophobicContact CD1-CD1 3.48Å; F6-I10 VanDerWaalsContact CD1-CD1 3.48Å; F6-I10 HydrophobicContact CD1-CG1 4.28Å; F6-I10 HydrophobicContact CE1-CD1 3.47Å; F6-I10 VanDerWaalsContact CE1-CD1 3.47Å; F6-I10 HydrophobicContact CE1-CG1 4.25Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 4.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.22Å; F7-I10 PolarHBondContact O-N 3.42Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 3.32Å; I10-I13 PolarHBondContact O-N 3.43Å; I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.23Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.25Å; I10-I14 PolarHBondContact O-N 2.81Å; I10-Q33 HydrophobicContact CG2-CB 4.35Å; I10-Q33 HydrophobicContact CG2-CG 4.42Å |
| 11 | I | 72.5 | Confident | 65 | Low | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.395 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 177.4 | -69.3 | 172.9 | 0 | 0 | 0 | 110.4 | F7 G8 I13 I14 C15 | F7-I11 HydrophobicContact CD1-CD1 3.66Å; F7-I11 HydrophobicContact CD1-CG1 4.4Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CE1-CG1 4.25Å; F7-I11 HydrophobicContact CZ-CD1 4.22Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.48Å; G8-I11 PolarHBondContact O-N 2.98Å; I11-I13 PolarHBondContact O-N 3.26Å; I11-I14 WeakPolarHBondContact O-CB 3.49Å; I11-I14 PolarHBondContact O-N 3.4Å; I11-I14 VanDerWaalsContact O-N 3.15Å; I11-C15 WeakPolarHBondContact O-CB 3.46Å; I11-C15 PolarHBondContact O-N 3.17Å; I11-C15 PolarHBondContact O-SG 2.89Å |
| 12 | I | 70.8 | Confident | 66.9 | Low | 95 Ų | 95 | 96 Ų | 96 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 178.2 | -68.1 | 163.6 | 0 | 0 | 0 | 110.9 | G8 F9 I10 I14 C15 I16 | G8-I12 WeakPolarHBondContact O-CD1 3.36Å; G8-I12 VanDerWaalsContact O-CG1 3.29Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.28Å; F9-I12 PolarHBondContact O-N 3.3Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 3.32Å; I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 PolarHBondContact O-N 3.08Å; I12-C15 PolarHBondContact O-N 3.37Å; I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 3.15Å |
| 13 | I | 72.9 | Confident | 68.2 | Low | 45 Ų | 45 | 91 Ų | 91 | 23% | 0.231 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 175.8 | -71.1 | 167.8 | 0 | 0 | 0 | 111.4 | F9 I10 I11 K17 | F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.26Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CG-CD1 4.37Å; F9-I13 HydrophobicContact CZ-CD1 3.92Å; F9-I13 HydrophobicContact CZ-CG1 4.48Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.02Å; I10-I13 PolarHBondContact O-N 3.43Å; I11-I13 PolarHBondContact O-N 3.26Å; I13-K17 HydrophobicContact CG2-CD 4.06Å; I13-K17 WeakPolarHBondContact O-CB 3.36Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 3.38Å |
| 14 | I | 76.7 | Confident | 69.8 | Low | 28 Ų | 28 | 90.4 Ų | 90.4 | 14% | 0.144 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.8 | -70.2 | 167.2 | 0 | 0 | 0 | 110.2 | I10 I11 I12 K17 K18 F26 I30 Q33 | I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.23Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.25Å; I10-I14 PolarHBondContact O-N 2.81Å; I11-I14 WeakPolarHBondContact O-CB 3.49Å; I11-I14 PolarHBondContact O-N 3.4Å; I11-I14 VanDerWaalsContact O-N 3.15Å; I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 PolarHBondContact O-N 3.08Å; I14-K17 PolarHBondContact O-N 3.48Å; I14-K18 WeakPolarHBondContact O-CB 3.45Å; I14-K18 PolarHBondContact O-N 3.15Å; I14-F26 HydrophobicContact CG2-CE2 3.53Å; I14-F26 HydrophobicContact CG2-CZ 3.85Å; I14-I30 HydrophobicContact CD1-CD1 3.75Å; I14-I30 HydrophobicContact CG1-CD1 4.13Å; I14-I30 HydrophobicContact CG2-CD1 3.62Å; I14-Q33 HydrophobicContact CD1-CG 4.5Å |
| 15 | C | 70.9 | Confident | 71 | Confident | 78 Ų | 78 | 90.6 Ų | 90.6 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.8 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | I11 I12 K17 K18 | I11-C15 WeakPolarHBondContact O-CB 3.46Å; I11-C15 PolarHBondContact O-N 3.17Å; I11-C15 PolarHBondContact O-SG 2.89Å; I12-C15 PolarHBondContact O-N 3.37Å; C15-K17 VanDerWaalsContact C-N 3.34Å; C15-K17 PolarHBondContact O-N 3.28Å; C15-K18 PolarHBondContact O-N 2.89Å |
| 16 | I | 69.3 | Low | 72.1 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 177.1 | -67.7 | 166.1 | 0 | 0 | 0 | 110.5 | I12 | I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 3.15Å |
| 17 | K | 66.1 | Low | 72.9 | Confident | 90 Ų | 90 | 88.2 Ų | 88.2 | 39% | 0.391 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.5 | -31.3 | -179.5 | -76.4 | -177.5 | 175 | -174.6 | 0 | 113.5 | I13 I14 C15 M19 A20 L21 L29 | I13-K17 HydrophobicContact CG2-CD 4.06Å; I13-K17 WeakPolarHBondContact O-CB 3.36Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 3.38Å; I14-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact C-N 3.34Å; C15-K17 PolarHBondContact O-N 3.28Å; K17-M19 PolarHBondContact O-N 3.49Å; K17-M19 VanDerWaalsContact O-N 3.17Å; K17-A20 PolarHBondContact O-N 3.42Å; K17-A20 VanDerWaalsContact O-N 3.08Å; K17-L21 HydrophobicContact CB-CD1 3.88Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.32Å; K17-L29 HydrophobicContact CB-CD2 3.6Å; K17-L29 HydrophobicContact CD-CD1 3.76Å; K17-L29 HydrophobicContact CD-CD2 3.44Å; K17-L29 VanDerWaalsContact CD-CD2 3.44Å; K17-L29 HydrophobicContact CD-CG 4.26Å; K17-L29 HydrophobicContact CG-CD2 4.15Å |
| 18 | K | 67.3 | Low | 73.7 | Confident | 133 Ų | 133 | 87.8 Ų | 87.8 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.8 | -28.7 | -179.8 | -171.7 | 171.2 | 174.2 | 160.6 | 0 | 113.2 | I14 C15 A20 F26 | I14-K18 WeakPolarHBondContact O-CB 3.45Å; I14-K18 PolarHBondContact O-N 3.15Å; C15-K18 PolarHBondContact O-N 2.89Å; K18-A20 PolarHBondContact O-N 3.37Å; K18-F26 HydrophobicContact CB-CD2 3.9Å; K18-F26 HydrophobicContact CB-CE2 3.74Å; K18-F26 HydrophobicContact CD-CD2 4.34Å; K18-F26 HydrophobicContact CD-CE2 3.84Å; K18-F26 HydrophobicContact CD-CZ 4.04Å; K18-F26 HydrophobicContact CG-CD2 3.93Å; K18-F26 HydrophobicContact CG-CE2 3.86Å |
| 19 | M | 65.6 | Low | 74.5 | Confident | 183 Ų | 183 | 87.2 Ų | 87.2 | 90% | 0.901 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13.7 | 178.4 | -72 | -165.3 | 173.9 | 0 | 0 | 114.6 | K17 | K17-M19 PolarHBondContact O-N 3.49Å; K17-M19 VanDerWaalsContact O-N 3.17Å |
| 20 | A | 75.4 | Confident | 75 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 76% | 0.76 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -1.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K17 K18 | K17-A20 PolarHBondContact O-N 3.42Å; K17-A20 VanDerWaalsContact O-N 3.08Å; K18-A20 PolarHBondContact O-N 3.37Å |
| 21 | L | 71.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | trans | -111.9 | 143.6 | -171.6 | -67.3 | -178.5 | 0 | 0 | 0 | 111.9 | K17 Q25 L29 | K17-L21 HydrophobicContact CB-CD1 3.88Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.32Å; L21-Q25 HydrophobicContact CB-CB 3.84Å; L21-Q25 HydrophobicContact CD1-CB 4.31Å; L21-Q25 HydrophobicContact CD2-CB 3.9Å; L21-Q25 HydrophobicContact CD2-CG 4.47Å; L21-Q25 HydrophobicContact CG-CB 4.21Å; L21-L29 HydrophobicContact CD1-CD2 4.03Å | ||
| 22 | T | 81.8 | Confident | 76 | Confident | 90 Ų | 90 | 91 Ų | 91 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | trans | -65.4 | 162.3 | 165.4 | 63 | 0 | 0 | 0 | 0 | 110.3 | D24 Q25 F26 | T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.01Å; T22-Q25 PolarHBondContact O-N 3.01Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.48Å; T22-F26 PolarHBondContact O-N 3.27Å | ||
| 23 | S | 79.1 | Confident | 76.5 | Confident | 80 Ų | 80 | 87.6 Ų | 87.6 | 56% | 0.559 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51 | -46.2 | 178.6 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | Q25 F26 Q27 | S23-Q25 PolarHBondContact O-N 2.97Å; S23-F26 WeakPolarHBondContact O-CB 3.46Å; S23-F26 PolarHBondContact O-N 3.14Å; S23-Q27 PolarHBondContact O-N 3.31Å |
| 24 | D | 84.9 | Confident | 76.8 | Confident | 119 Ų | 119 | 89 Ų | 89 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | -178.6 | -54.2 | -18.4 | 0 | 0 | 0 | 112.1 | T22 F26 Q27 L28 | T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.01Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.26Å; D24-Q27 PolarHBondContact O-N 3.02Å; D24-L28 WeakPolarHBondContact O-CB 3.24Å; D24-L28 PolarHBondContact O-N 2.94Å |
| 25 | Q | 79.1 | Confident | 77.2 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 176.2 | -70.5 | -71.2 | -27.1 | 0 | 0 | 111.8 | L21 T22 S23 L29 | L21-Q25 HydrophobicContact CB-CB 3.84Å; L21-Q25 HydrophobicContact CD1-CB 4.31Å; L21-Q25 HydrophobicContact CD2-CB 3.9Å; L21-Q25 HydrophobicContact CD2-CG 4.47Å; L21-Q25 HydrophobicContact CG-CB 4.21Å; T22-Q25 PolarHBondContact O-N 3.01Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.48Å; S23-Q25 PolarHBondContact O-N 2.97Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.94Å |
| 26 | F | 77.5 | Confident | 77.8 | Confident | 47 Ų | 47 | 97.7 Ų | 97.7 | 21% | 0.206 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 174.2 | -178.7 | -99.6 | 0 | 0 | 0 | 111.2 | I14 K18 T22 S23 D24 L28 L29 I30 | I14-F26 HydrophobicContact CG2-CE2 3.53Å; I14-F26 HydrophobicContact CG2-CZ 3.85Å; K18-F26 HydrophobicContact CB-CD2 3.9Å; K18-F26 HydrophobicContact CB-CE2 3.74Å; K18-F26 HydrophobicContact CD-CD2 4.34Å; K18-F26 HydrophobicContact CD-CE2 3.84Å; K18-F26 HydrophobicContact CD-CZ 4.04Å; K18-F26 HydrophobicContact CG-CD2 3.93Å; K18-F26 HydrophobicContact CG-CE2 3.86Å; T22-F26 PolarHBondContact O-N 3.27Å; S23-F26 WeakPolarHBondContact O-CB 3.46Å; S23-F26 PolarHBondContact O-N 3.14Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.26Å; F26-L28 PolarHBondContact O-N 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-L29 VanDerWaalsContact O-N 3.15Å; F26-I30 HydrophobicContact CD1-CG1 4.16Å; F26-I30 HydrophobicContact CE1-CD1 4.14Å; F26-I30 HydrophobicContact CE1-CG1 3.75Å; F26-I30 HydrophobicContact CE2-CD1 4.2Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.77Å; F26-I30 HydrophobicContact CZ-CG1 3.9Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 3.31Å |
| 27 | Q | 78.4 | Confident | 78.4 | Confident | 120 Ų | 120 | 95.2 Ų | 95.2 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 176 | -73.3 | -169.7 | 24.3 | 0 | 0 | 111.9 | S23 D24 L29 I30 Q31 | S23-Q27 PolarHBondContact O-N 3.31Å; D24-Q27 PolarHBondContact O-N 3.02Å; Q27-L29 PolarHBondContact O-N 3.35Å; Q27-I30 PolarHBondContact O-N 3.15Å; Q27-I30 VanDerWaalsContact O-N 3.17Å; Q27-Q31 WeakPolarHBondContact O-CB 3.37Å; Q27-Q31 WeakPolarHBondContact O-CG 3.37Å; Q27-Q31 PolarHBondContact O-N 2.83Å |
| 28 | L | 83.7 | Confident | 79.1 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.7 | -36.1 | 176.9 | -173.3 | 65.3 | 0 | 0 | 0 | 112.1 | D24 F26 R32 | D24-L28 WeakPolarHBondContact O-CB 3.24Å; D24-L28 PolarHBondContact O-N 2.94Å; F26-L28 PolarHBondContact O-N 3.28Å; L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 PolarHBondContact O-N 3.38Å |
| 29 | L | 81.2 | Confident | 80 | Confident | 17 Ų | 17 | 98.1 Ų | 98.1 | 9% | 0.089 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 174.8 | 178.1 | 71.6 | 0 | 0 | 0 | 111.7 | K17 L21 Q25 F26 Q27 R32 Q33 | K17-L29 HydrophobicContact CB-CD2 3.6Å; K17-L29 HydrophobicContact CD-CD1 3.76Å; K17-L29 HydrophobicContact CD-CD2 3.44Å; K17-L29 VanDerWaalsContact CD-CD2 3.44Å; K17-L29 HydrophobicContact CD-CG 4.26Å; K17-L29 HydrophobicContact CG-CD2 4.15Å; L21-L29 HydrophobicContact CD1-CD2 4.03Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.94Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-L29 VanDerWaalsContact O-N 3.15Å; Q27-L29 PolarHBondContact O-N 3.35Å; L29-R32 PolarHBondContact O-N 3.17Å; L29-Q33 HydrophobicContact CD1-CG 4.46Å; L29-Q33 VanDerWaalsContact O-CG 3.3Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å; L29-Q33 PolarHBondContact O-N 2.94Å |
| 30 | I | 79.4 | Confident | 80.9 | Confident | 42 Ų | 42 | 91.9 Ų | 91.9 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.3 | -53 | 177.1 | -65.5 | -57.8 | 0 | 0 | 0 | 109.7 | I14 F26 Q27 R32 Q33 E34 | I14-I30 HydrophobicContact CD1-CD1 3.75Å; I14-I30 HydrophobicContact CG1-CD1 4.13Å; I14-I30 HydrophobicContact CG2-CD1 3.62Å; F26-I30 HydrophobicContact CD1-CG1 4.16Å; F26-I30 HydrophobicContact CE1-CD1 4.14Å; F26-I30 HydrophobicContact CE1-CG1 3.75Å; F26-I30 HydrophobicContact CE2-CD1 4.2Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.77Å; F26-I30 HydrophobicContact CZ-CG1 3.9Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 3.31Å; Q27-I30 PolarHBondContact O-N 3.15Å; Q27-I30 VanDerWaalsContact O-N 3.17Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; I30-Q33 CarbonylContact O-C 3.59Å; I30-Q33 WeakPolarHBondContact O-CA 3.41Å; I30-Q33 PolarHBondContact O-N 2.96Å; I30-E34 HydrophobicContact CG2-CG 4.23Å; I30-E34 WeakPolarHBondContact O-CG 3.48Å; I30-E34 PolarHBondContact O-N 2.94Å |
| 31 | Q | 82.3 | Confident | 81.2 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.2 | -44 | 177.9 | -75.2 | -77.2 | -64.9 | 0 | 0 | 112.4 | Q27 Q33 E34 Q35 | Q27-Q31 WeakPolarHBondContact O-CB 3.37Å; Q27-Q31 WeakPolarHBondContact O-CG 3.37Å; Q27-Q31 PolarHBondContact O-N 2.83Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.92Å; Q31-E34 PolarHBondContact NE2-OE2 3.22Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-Q35 WeakPolarHBondContact O-CB 3.4Å; Q31-Q35 PolarHBondContact O-N 3.47Å |
| 32 | R | 82.3 | Confident | 82 | Confident | 148 Ų | 148 | 91.2 Ų | 91.2 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 175.8 | 178.5 | 177.3 | -99.9 | 174 | -5.9 | 112.4 | L28 L29 I30 R36 | L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 PolarHBondContact O-N 3.38Å; L29-R32 PolarHBondContact O-N 3.17Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; R32-R36 VanDerWaalsContact O-CG 3.25Å; R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.25Å; R32-R36 VanDerWaalsContact O-N 3.1Å |
| 33 | Q | 80.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 90.4 Ų | 90.4 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.1 | -39.7 | 178.2 | -67.4 | -67.6 | 17 | 0 | 0 | 112 | I10 I14 L29 I30 Q31 Q35 R36 F37 | I10-Q33 HydrophobicContact CG2-CB 4.35Å; I10-Q33 HydrophobicContact CG2-CG 4.42Å; I14-Q33 HydrophobicContact CD1-CG 4.5Å; L29-Q33 HydrophobicContact CD1-CG 4.46Å; L29-Q33 VanDerWaalsContact O-CG 3.3Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å; L29-Q33 PolarHBondContact O-N 2.94Å; I30-Q33 CarbonylContact O-C 3.59Å; I30-Q33 WeakPolarHBondContact O-CA 3.41Å; I30-Q33 PolarHBondContact O-N 2.96Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.92Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 3.26Å; Q33-R36 PolarHBondContact O-N 3.38Å; Q33-F37 WeakPolarHBondContact O-CB 3.27Å; Q33-F37 PolarHBondContact O-N 3.07Å |
| 34 | E | 80.9 | Confident | 82.8 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 171.6 | -71.6 | 173.5 | 157.6 | 0 | 0 | 110.6 | I30 Q31 R36 F37 R38 | I30-E34 HydrophobicContact CG2-CG 4.23Å; I30-E34 WeakPolarHBondContact O-CG 3.48Å; I30-E34 PolarHBondContact O-N 2.94Å; Q31-E34 PolarHBondContact NE2-OE2 3.22Å; Q31-E34 PolarHBondContact O-N 3.49Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.01Å; E34-F37 WeakPolarHBondContact O-CB 3.43Å; E34-F37 PolarHBondContact O-N 3.38Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.82Å |
| 35 | Q | 83.5 | Confident | 83 | Confident | 142 Ų | 142 | 87 Ų | 87 | 66% | 0.664 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 175.9 | -169 | -173.4 | 12.7 | 0 | 0 | 112.6 | Q31 Q33 R38 K39 | Q31-Q35 WeakPolarHBondContact O-CB 3.4Å; Q31-Q35 PolarHBondContact O-N 3.47Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 3.26Å; Q35-R38 PolarHBondContact O-N 3.46Å; Q35-K39 WeakPolarHBondContact O-CB 3.42Å; Q35-K39 PolarHBondContact O-N 3.4Å |
| 36 | R | 83.5 | Confident | 83.5 | Confident | 146 Ų | 146 | 85.5 Ų | 85.5 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 176.4 | -76.4 | 171.4 | 178.3 | -158.3 | -2.4 | 111.8 | R32 Q33 E34 K39 S40 | R32-R36 VanDerWaalsContact O-CG 3.25Å; R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.25Å; R32-R36 VanDerWaalsContact O-N 3.1Å; Q33-R36 PolarHBondContact O-N 3.38Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.01Å; R36-K39 PolarHBondContact O-N 2.85Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.23Å |
| 37 | F | 81.9 | Confident | 84.2 | Confident | 68 Ų | 68 | 88.8 Ų | 88.8 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.4 | -179.3 | -107.4 | 0 | 0 | 0 | 110.7 | Q33 E34 K39 S40 Q41 | Q33-F37 WeakPolarHBondContact O-CB 3.27Å; Q33-F37 PolarHBondContact O-N 3.07Å; E34-F37 WeakPolarHBondContact O-CB 3.43Å; E34-F37 PolarHBondContact O-N 3.38Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.92Å; F37-S40 CarbonylContact O-C 3.59Å; F37-S40 WeakPolarHBondContact O-CB 3.5Å; F37-S40 PolarHBondContact O-N 3.39Å; F37-Q41 HydrophobicContact CD1-CG 4.37Å; F37-Q41 HydrophobicContact CE1-CG 4.03Å; F37-Q41 HydrophobicContact CE2-CG 4.32Å; F37-Q41 HydrophobicContact CZ-CG 4Å; F37-Q41 WeakPolarHBondContact O-CG 3.43Å; F37-Q41 PolarHBondContact O-N 3.48Å |
| 38 | R | 82.5 | Confident | 84.7 | Confident | 121 Ų | 121 | 85.3 Ų | 85.3 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 173.9 | -172.5 | -178.8 | -174.9 | -152.5 | 5.3 | 111.7 | E34 Q35 S40 Q41 L42 E76 | E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.82Å; Q35-R38 PolarHBondContact O-N 3.46Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.21Å; R38-Q41 PolarHBondContact O-N 2.93Å; R38-L42 PolarHBondContact O-N 3.44Å; R38-E76 IonicContact CZ-OE2 3.77Å; R38-E76 IonicContact NH2-OE1 3.84Å; R38-E76 PolarHBondContact NH2-OE1 3.23Å; R38-E76 IonicContact NH2-OE2 2.64Å; R38-E76 PolarHBondContact NH2-OE2 2.83Å |
| 39 | K | 85.2 | Confident | 85 | Confident | 163 Ų | 163 | 82.2 Ų | 82.2 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 177 | -173 | 174.8 | -177.9 | 175.5 | 0 | 111.9 | Q35 R36 F37 L42 D43 | Q35-K39 WeakPolarHBondContact O-CB 3.42Å; Q35-K39 PolarHBondContact O-N 3.4Å; R36-K39 PolarHBondContact O-N 2.85Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.92Å; K39-L42 PolarHBondContact O-N 3.42Å; K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 2.88Å |
| 40 | S | 83.8 | Confident | 85.4 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | R36 F37 R38 F44 | R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.23Å; F37-S40 CarbonylContact O-C 3.59Å; F37-S40 WeakPolarHBondContact O-CB 3.5Å; F37-S40 PolarHBondContact O-N 3.39Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.21Å; S40-F44 WeakPolarHBondContact O-CB 3.44Å; S40-F44 PolarHBondContact O-N 3.1Å |
| 41 | Q | 83.3 | Confident | 85.9 | Confident | 56 Ų | 56 | 89 Ų | 89 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 175.5 | -73.6 | -178.1 | -43.6 | 0 | 0 | 111.1 | F37 R38 F44 I45 L75 | F37-Q41 HydrophobicContact CD1-CG 4.37Å; F37-Q41 HydrophobicContact CE1-CG 4.03Å; F37-Q41 HydrophobicContact CE2-CG 4.32Å; F37-Q41 HydrophobicContact CZ-CG 4Å; F37-Q41 WeakPolarHBondContact O-CG 3.43Å; F37-Q41 PolarHBondContact O-N 3.48Å; R38-Q41 PolarHBondContact O-N 2.93Å; Q41-F44 WeakPolarHBondContact O-CB 3.39Å; Q41-F44 PolarHBondContact O-N 3.14Å; Q41-I45 WeakPolarHBondContact O-CG1 3.37Å; Q41-I45 PolarHBondContact O-N 3.3Å; Q41-L75 HydrophobicContact CB-CD2 3.76Å; Q41-L75 HydrophobicContact CG-CD2 4.47Å |
| 42 | L | 87.2 | Confident | 86.2 | Confident | 85 Ų | 85 | 84.7 Ų | 84.7 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.5 | -169.8 | 62.9 | 0 | 0 | 0 | 111.8 | R38 K39 F44 I45 D46 | R38-L42 PolarHBondContact O-N 3.44Å; K39-L42 PolarHBondContact O-N 3.42Å; L42-F44 VanDerWaalsContact C-N 3.28Å; L42-F44 PolarHBondContact O-N 3.17Å; L42-I45 WeakPolarHBondContact O-CB 3.5Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.09Å; L42-D46 VanDerWaalsContact O-CG 3.31Å; L42-D46 PolarHBondContact O-N 2.98Å |
| 43 | D | 89 | Confident | 86.5 | Confident | 72 Ų | 72 | 81 Ų | 81 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 173.9 | 171.9 | 76.7 | 0 | 0 | 0 | 112.5 | K39 D46 K47 | K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 2.88Å; D43-D46 PolarHBondContact O-N 3.24Å; D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 WeakPolarHBondContact O-CG 3.33Å; D43-K47 PolarHBondContact O-N 3.14Å; D43-K47 WeakPolarHBondContact OD1-CE 3.44Å; D43-K47 IonicContact OD1-NZ 3.28Å; D43-K47 PolarHBondContact OD1-NZ 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.28Å; D43-K47 IonicContact OD2-NZ 2.66Å; D43-K47 PolarHBondContact OD2-NZ 3.3Å |
| 44 | F | 88.5 | Confident | 86.7 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 173 | 173.4 | -96.9 | 0 | 0 | 0 | 112 | S40 Q41 L42 D46 K47 L48 | S40-F44 WeakPolarHBondContact O-CB 3.44Å; S40-F44 PolarHBondContact O-N 3.1Å; Q41-F44 WeakPolarHBondContact O-CB 3.39Å; Q41-F44 PolarHBondContact O-N 3.14Å; L42-F44 VanDerWaalsContact C-N 3.28Å; L42-F44 PolarHBondContact O-N 3.17Å; F44-D46 VanDerWaalsContact C-N 3.35Å; F44-K47 PolarHBondContact O-N 3.25Å; F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.3Å; F44-L48 PolarHBondContact O-N 3.44Å |
| 45 | I | 89.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 87.3 Ų | 87.3 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.3 | -69.1 | 170.5 | 0 | 0 | 0 | 110.6 | Q41 L42 K47 L48 H49 I68 L71 R72 L75 | Q41-I45 WeakPolarHBondContact O-CG1 3.37Å; Q41-I45 PolarHBondContact O-N 3.3Å; L42-I45 WeakPolarHBondContact O-CB 3.5Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.09Å; I45-K47 PolarHBondContact O-N 3.28Å; I45-L48 WeakPolarHBondContact O-CB 3.45Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-L48 VanDerWaalsContact O-N 3.16Å; I45-H49 PolarHBondContact O-N 3.4Å; I45-I68 HydrophobicContact CG2-CD1 4.2Å; I45-I68 HydrophobicContact CG2-CG2 3.78Å; I45-L71 HydrophobicContact CD1-CD2 4.47Å; I45-L71 HydrophobicContact CD1-CG 4.33Å; I45-L71 HydrophobicContact CG1-CD2 4.04Å; I45-L71 HydrophobicContact CG1-CG 4.43Å; I45-R72 HydrophobicContact CD1-CG 4.08Å; I45-R72 HydrophobicContact CG2-CG 3.87Å; I45-L75 HydrophobicContact CD1-CD2 3.8Å |
| 46 | D | 90.2 | Very high | 86.6 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.1 | -64.5 | -15.7 | 0 | 0 | 0 | 111.4 | L42 D43 F44 L48 H49 A50 R72 | L42-D46 VanDerWaalsContact O-CG 3.31Å; L42-D46 PolarHBondContact O-N 2.98Å; D43-D46 PolarHBondContact O-N 3.24Å; F44-D46 VanDerWaalsContact C-N 3.35Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.41Å; D46-H49 PolarHBondContact O-N 2.94Å; D46-A50 PolarHBondContact O-N 3.48Å; D46-R72 IonicContact OD1-CZ 2.86Å; D46-R72 IonicContact OD1-NH2 3.48Å; D46-R72 PolarHBondContact OD1-NH2 3.25Å |
| 47 | K | 90.8 | Very high | 86.3 | Confident | 115 Ų | 115 | 84.7 Ų | 84.7 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 173.2 | -73.8 | 168.9 | -178.6 | 163.8 | 0 | 112.4 | D43 F44 I45 K51 | D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 WeakPolarHBondContact O-CG 3.33Å; D43-K47 PolarHBondContact O-N 3.14Å; D43-K47 WeakPolarHBondContact OD1-CE 3.44Å; D43-K47 IonicContact OD1-NZ 3.28Å; D43-K47 PolarHBondContact OD1-NZ 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.28Å; D43-K47 IonicContact OD2-NZ 2.66Å; D43-K47 PolarHBondContact OD2-NZ 3.3Å; F44-K47 PolarHBondContact O-N 3.25Å; I45-K47 PolarHBondContact O-N 3.28Å; K47-K51 WeakPolarHBondContact O-CB 3.32Å; K47-K51 VanDerWaalsContact O-CG 3.28Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 3.38Å; K47-K51 VanDerWaalsContact O-N 3.07Å |
| 48 | L | 89.4 | Confident | 85.9 | Confident | 48 Ų | 48 | 85 Ų | 85 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 175.7 | -177.9 | 62.8 | 0 | 0 | 0 | 110.1 | F44 I45 D46 A50 K51 L52 I68 L71 | F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.3Å; F44-L48 PolarHBondContact O-N 3.44Å; I45-L48 WeakPolarHBondContact O-CB 3.45Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-L48 VanDerWaalsContact O-N 3.16Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.41Å; L48-A50 PolarHBondContact O-N 3.48Å; L48-K51 PolarHBondContact O-N 3.01Å; L48-K51 VanDerWaalsContact O-N 3.11Å; L48-L52 HydrophobicContact CD1-CD1 4.25Å; L48-L52 HydrophobicContact CD1-CD2 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.91Å; L48-L52 HydrophobicContact CG-CG 4.25Å; L48-L52 WeakPolarHBondContact O-CB 3.5Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.46Å; L48-I68 HydrophobicContact CB-CD1 4.41Å; L48-I68 HydrophobicContact CD2-CD1 4.19Å; L48-I68 HydrophobicContact CG-CD1 4.17Å; L48-L71 HydrophobicContact CD2-CD2 3.9Å |
| 49 | H | 90.5 | Very high | 85.1 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -54.3 | -51.4 | 175.1 | 178.6 | -106.2 | 0 | 0 | 0 | 111.4 | I45 D46 K51 L52 L53 D65 I68 | I45-H49 PolarHBondContact O-N 3.4Å; D46-H49 PolarHBondContact O-N 2.94Å; H49-K51 VanDerWaalsContact C-N 3.31Å; H49-K51 PolarHBondContact O-N 3.46Å; H49-L52 PolarHBondContact O-N 3.24Å; H49-L53 WeakPolarHBondContact CE1-CD1 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.48Å; H49-L53 PolarHBondContact O-N 2.66Å; H49-D65 IonicContact CD2-OD1 3.56Å; H49-D65 IonicContact CE1-OD1 3.75Å; H49-D65 IonicContact NE2-OD1 2.71Å; H49-D65 PolarHBondContact NE2-OD1 3.33Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 HydrophobicContact CB-CG1 3.86Å; H49-I68 HydrophobicContact CB-CG2 4.31Å |
| 50 | A | 90.1 | Very high | 84.8 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D46 L48 N54 | D46-A50 PolarHBondContact O-N 3.48Å; L48-A50 PolarHBondContact O-N 3.48Å; A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 PolarHBondContact O-ND2 3.48Å |
| 51 | K | 89.8 | Confident | 84.9 | Confident | 155 Ų | 155 | 80.2 Ų | 80.2 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.7 | -37.8 | 177.6 | -78 | -179.9 | 175.8 | -167.2 | 0 | 112.9 | K47 L48 H49 N54 H55 | K47-K51 WeakPolarHBondContact O-CB 3.32Å; K47-K51 VanDerWaalsContact O-CG 3.28Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 3.38Å; K47-K51 VanDerWaalsContact O-N 3.07Å; L48-K51 PolarHBondContact O-N 3.01Å; L48-K51 VanDerWaalsContact O-N 3.11Å; H49-K51 VanDerWaalsContact C-N 3.31Å; H49-K51 PolarHBondContact O-N 3.46Å; K51-N54 PolarHBondContact O-N 3.07Å; K51-H55 WeakPolarHBondContact O-CB 3.47Å; K51-H55 PolarHBondContact O-N 3.16Å |
| 52 | L | 88.3 | Confident | 85.1 | Confident | 21 Ų | 21 | 83.3 Ų | 83.3 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 179.3 | -69.1 | 174.6 | 0 | 0 | 0 | 111.2 | L48 H49 N54 H55 F58 V64 L67 I68 | L48-L52 HydrophobicContact CD1-CD1 4.25Å; L48-L52 HydrophobicContact CD1-CD2 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.91Å; L48-L52 HydrophobicContact CG-CG 4.25Å; L48-L52 WeakPolarHBondContact O-CB 3.5Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.46Å; H49-L52 PolarHBondContact O-N 3.24Å; L52-N54 VanDerWaalsContact C-N 3.25Å; L52-N54 PolarHBondContact O-N 2.83Å; L52-H55 PolarHBondContact O-N 3.37Å; L52-H55 VanDerWaalsContact O-N 3.09Å; L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CD2-CD2 3.82Å; L52-F58 HydrophobicContact CD2-CE1 4.12Å; L52-F58 HydrophobicContact CD2-CE2 3.25Å; L52-F58 HydrophobicContact CD2-CG 4.48Å; L52-F58 HydrophobicContact CD2-CZ 3.43Å; L52-F58 VanDerWaalsContact CD2-CZ 3.43Å; L52-V64 HydrophobicContact CB-CG1 3.57Å; L52-V64 HydrophobicContact CB-CG2 4.13Å; L52-V64 HydrophobicContact CD1-CG1 4.21Å; L52-L67 HydrophobicContact CD1-CD2 4.12Å; L52-I68 HydrophobicContact CD1-CD1 4.07Å; L52-I68 HydrophobicContact CD1-CG1 4.38Å |
| 53 | L | 87.1 | Confident | 85.1 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.366 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -32.3 | 175.3 | -75 | 176.5 | 0 | 0 | 0 | 113.2 | H49 H55 E61 V64 | H49-L53 WeakPolarHBondContact CE1-CD1 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.48Å; H49-L53 PolarHBondContact O-N 2.66Å; L53-H55 VanDerWaalsContact C-N 3.32Å; L53-E61 HydrophobicContact CD2-CB 4.11Å; L53-E61 HydrophobicContact CD2-CG 4.02Å; L53-V64 HydrophobicContact CD2-CB 4Å; L53-V64 HydrophobicContact CD2-CG1 4.08Å; L53-V64 HydrophobicContact CD2-CG2 4.26Å; L53-V64 HydrophobicContact CG-CG1 4.05Å |
| 54 | N | 85.4 | Confident | 85.2 | Confident | 139 Ų | 139 | 81.2 Ų | 81.2 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1 | 177.7 | -73 | -62 | 0 | 0 | 0 | 113.6 | A50 K51 L52 | A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 PolarHBondContact O-ND2 3.48Å; K51-N54 PolarHBondContact O-N 3.07Å; L52-N54 VanDerWaalsContact C-N 3.25Å; L52-N54 PolarHBondContact O-N 2.83Å |
| 55 | H | 82.6 | Confident | 85.3 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | trans | -97.4 | 123.7 | -175.2 | -170.3 | -87.1 | 0 | 0 | 0 | 110.9 | K51 L52 L53 C57 F58 | K51-H55 WeakPolarHBondContact O-CB 3.47Å; K51-H55 PolarHBondContact O-N 3.16Å; L52-H55 PolarHBondContact O-N 3.37Å; L52-H55 VanDerWaalsContact O-N 3.09Å; L53-H55 VanDerWaalsContact C-N 3.32Å; H55-C57 VanDerWaalsContact CE1-CB 3.5Å; H55-C57 WeakPolarHBondContact CE1-CB 3.35Å; H55-C57 PolarHBondContact CE1-SG 2.96Å; H55-C57 WeakPolarHBondContact ND1-CB 3.41Å; H55-C57 PolarHBondContact ND1-N 3.05Å; H55-C57 PolarHBondContact O-N 3.09Å; H55-F58 HydrophobicContact CB-CD2 4.04Å; H55-F58 HydrophobicContact CB-CE2 4.44Å; H55-F58 AromaticContact ND1-CD2 3.86Å; H55-F58 AromaticContact ND1-CE2 3.93Å; H55-F58 PolarHBondContact O-N 3.48Å | ||
| 56 | P | 80 | Confident | 85.4 | Confident | 128 Ų | 128 | 80.8 Ų | 80.8 | 83% | 0.831 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.5 | -173.6 | -24.6 | 32.2 | 0 | 0 | 0 | 115.4 | ||
| 57 | C | 77.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 81.5 Ų | 81.5 | 72% | 0.716 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.6 | -175.1 | -55.9 | 0 | 0 | 0 | 0 | 115.4 | H55 | H55-C57 VanDerWaalsContact CE1-CB 3.5Å; H55-C57 WeakPolarHBondContact CE1-CB 3.35Å; H55-C57 PolarHBondContact CE1-SG 2.96Å; H55-C57 WeakPolarHBondContact ND1-CB 3.41Å; H55-C57 PolarHBondContact ND1-N 3.05Å; H55-C57 PolarHBondContact O-N 3.09Å |
| 58 | F | 73.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 32% | 0.32 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -97.8 | 128.2 | 177 | -69.3 | -82.8 | 0 | 0 | 0 | 110.3 | L52 H55 G60 V64 L67 | L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CD2-CD2 3.82Å; L52-F58 HydrophobicContact CD2-CE1 4.12Å; L52-F58 HydrophobicContact CD2-CE2 3.25Å; L52-F58 HydrophobicContact CD2-CG 4.48Å; L52-F58 HydrophobicContact CD2-CZ 3.43Å; L52-F58 VanDerWaalsContact CD2-CZ 3.43Å; H55-F58 HydrophobicContact CB-CD2 4.04Å; H55-F58 HydrophobicContact CB-CE2 4.44Å; H55-F58 AromaticContact ND1-CD2 3.86Å; H55-F58 AromaticContact ND1-CE2 3.93Å; H55-F58 PolarHBondContact O-N 3.48Å; F58-G60 PolarHBondContact O-N 3.22Å; F58-V64 HydrophobicContact CB-CG2 3.64Å; F58-V64 HydrophobicContact CG-CG2 4.17Å; F58-L67 HydrophobicContact CE1-CD2 4.47Å |
| 59 | G | 64.6 | Low | 85.5 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | trans | -79.9 | 38.3 | -163 | 0 | 0 | 0 | 0 | 0 | 115.7 | E63 | G59-E63 WeakPolarHBondContact CA-OE2 3.43Å; G59-E63 PolarHBondContact N-OE2 3.36Å | ||
| 60 | G | 78.8 | Confident | 85.5 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | trans | 116.3 | 162.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F58 T62 E63 V64 | F58-G60 PolarHBondContact O-N 3.22Å; G60-T62 VanDerWaalsContact C-N 3.25Å; G60-T62 PolarHBondContact O-N 3.5Å; G60-E63 PolarHBondContact O-N 3Å; G60-V64 PolarHBondContact O-N 2.93Å | ||
| 61 | E | 85.7 | Confident | 85.5 | Confident | 129 Ų | 129 | 82.6 Ų | 82.6 | 60% | 0.603 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.7 | -39.7 | -177.5 | -174.9 | 171.8 | -165.9 | 0 | 0 | 112.4 | L53 E63 V64 D65 | L53-E61 HydrophobicContact CD2-CB 4.11Å; L53-E61 HydrophobicContact CD2-CG 4.02Å; E61-E63 PolarHBondContact O-N 2.98Å; E61-V64 PolarHBondContact O-N 3.36Å; E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.24Å; E61-D65 PolarHBondContact O-N 2.99Å |
| 62 | T | 88.6 | Confident | 85.4 | Confident | 120 Ų | 120 | 80.1 Ų | 80.1 | 74% | 0.736 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | -179 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | G60 A66 | G60-T62 VanDerWaalsContact C-N 3.25Å; G60-T62 PolarHBondContact O-N 3.5Å; T62-A66 WeakPolarHBondContact O-CB 3.26Å; T62-A66 PolarHBondContact O-N 3.45Å |
| 63 | E | 87.2 | Confident | 85.5 | Confident | 112 Ų | 112 | 82.9 Ų | 82.9 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.8 | -41.9 | -179.7 | -172.5 | -180 | -165.2 | 0 | 0 | 110.8 | G59 G60 E61 A66 L67 | G59-E63 WeakPolarHBondContact CA-OE2 3.43Å; G59-E63 PolarHBondContact N-OE2 3.36Å; G60-E63 PolarHBondContact O-N 3Å; E61-E63 PolarHBondContact O-N 2.98Å; E63-A66 PolarHBondContact O-N 3.4Å; E63-L67 PolarHBondContact O-N 2.95Å |
| 64 | V | 90.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.006 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | L52 L53 F58 G60 E61 A66 L67 I68 | L52-V64 HydrophobicContact CB-CG1 3.57Å; L52-V64 HydrophobicContact CB-CG2 4.13Å; L52-V64 HydrophobicContact CD1-CG1 4.21Å; L53-V64 HydrophobicContact CD2-CB 4Å; L53-V64 HydrophobicContact CD2-CG1 4.08Å; L53-V64 HydrophobicContact CD2-CG2 4.26Å; L53-V64 HydrophobicContact CG-CG1 4.05Å; F58-V64 HydrophobicContact CB-CG2 3.64Å; F58-V64 HydrophobicContact CG-CG2 4.17Å; G60-V64 PolarHBondContact O-N 2.93Å; E61-V64 PolarHBondContact O-N 3.36Å; V64-A66 PolarHBondContact O-N 3.3Å; V64-L67 PolarHBondContact O-N 2.62Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.49Å; V64-I68 WeakPolarHBondContact O-CG1 3.5Å; V64-I68 PolarHBondContact O-N 3.06Å |
| 65 | D | 91.1 | Very high | 85.3 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 32% | 0.316 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.6 | -75.7 | -13.2 | 0 | 0 | 0 | 112.3 | H49 E61 S69 | H49-D65 IonicContact CD2-OD1 3.56Å; H49-D65 IonicContact CE1-OD1 3.75Å; H49-D65 IonicContact NE2-OD1 2.71Å; H49-D65 PolarHBondContact NE2-OD1 3.33Å; E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.24Å; E61-D65 PolarHBondContact O-N 2.99Å; D65-S69 WeakPolarHBondContact O-CB 3.47Å; D65-S69 PolarHBondContact O-N 3.41Å; D65-S69 PolarHBondContact O-OG 3.42Å |
| 66 | A | 90.9 | Very high | 85.3 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T62 E63 V64 S69 K70 | T62-A66 WeakPolarHBondContact O-CB 3.26Å; T62-A66 PolarHBondContact O-N 3.45Å; E63-A66 PolarHBondContact O-N 3.4Å; V64-A66 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-N 3.22Å; A66-K70 WeakPolarHBondContact O-CB 3.49Å; A66-K70 PolarHBondContact O-N 3.34Å |
| 67 | L | 89.9 | Confident | 85.4 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 45% | 0.45 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.7 | -178.2 | 63.9 | 0 | 0 | 0 | 111.8 | L52 F58 E63 V64 K70 L71 | L52-L67 HydrophobicContact CD1-CD2 4.12Å; F58-L67 HydrophobicContact CE1-CD2 4.47Å; E63-L67 PolarHBondContact O-N 2.95Å; V64-L67 PolarHBondContact O-N 2.62Å; L67-K70 PolarHBondContact O-N 3.44Å; L67-L71 PolarHBondContact O-N 3.49Å |
| 68 | I | 91.6 | Very high | 85.3 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 179.1 | -70.2 | -66 | 0 | 0 | 0 | 111.3 | I45 L48 H49 L52 V64 L71 R72 | I45-I68 HydrophobicContact CG2-CD1 4.2Å; I45-I68 HydrophobicContact CG2-CG2 3.78Å; L48-I68 HydrophobicContact CB-CD1 4.41Å; L48-I68 HydrophobicContact CD2-CD1 4.19Å; L48-I68 HydrophobicContact CG-CD1 4.17Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 HydrophobicContact CB-CG1 3.86Å; H49-I68 HydrophobicContact CB-CG2 4.31Å; L52-I68 HydrophobicContact CD1-CD1 4.07Å; L52-I68 HydrophobicContact CD1-CG1 4.38Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.49Å; V64-I68 WeakPolarHBondContact O-CG1 3.5Å; V64-I68 PolarHBondContact O-N 3.06Å; I68-L71 PolarHBondContact O-N 3.48Å; I68-R72 WeakPolarHBondContact O-CG 3.46Å; I68-R72 PolarHBondContact O-N 3.33Å |
| 69 | S | 91.2 | Very high | 85.1 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | D65 A66 R72 T73 | D65-S69 WeakPolarHBondContact O-CB 3.47Å; D65-S69 PolarHBondContact O-N 3.41Å; D65-S69 PolarHBondContact O-OG 3.42Å; A66-S69 PolarHBondContact O-N 3.22Å; S69-R72 PolarHBondContact O-N 2.93Å; S69-T73 WeakPolarHBondContact O-CB 3.49Å; S69-T73 PolarHBondContact O-N 3.34Å; S69-T73 PolarHBondContact O-OG1 3.11Å |
| 70 | K | 91.8 | Very high | 85.3 | Confident | 147 Ų | 147 | 81.1 Ų | 81.1 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 174.4 | -174.9 | 177 | 178.5 | -177.7 | 0 | 111.4 | A66 L67 R72 T73 E74 | A66-K70 WeakPolarHBondContact O-CB 3.49Å; A66-K70 PolarHBondContact O-N 3.34Å; L67-K70 PolarHBondContact O-N 3.44Å; K70-R72 PolarHBondContact O-N 3Å; K70-T73 PolarHBondContact O-N 3.21Å; K70-E74 PolarHBondContact O-N 2.94Å |
| 71 | L | 89.2 | Confident | 84.5 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.9 | -176.7 | 62.6 | 0 | 0 | 0 | 112.4 | I45 L48 L67 I68 L75 | I45-L71 HydrophobicContact CD1-CD2 4.47Å; I45-L71 HydrophobicContact CD1-CG 4.33Å; I45-L71 HydrophobicContact CG1-CD2 4.04Å; I45-L71 HydrophobicContact CG1-CG 4.43Å; L48-L71 HydrophobicContact CD2-CD2 3.9Å; L67-L71 PolarHBondContact O-N 3.49Å; I68-L71 PolarHBondContact O-N 3.48Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 PolarHBondContact O-N 3Å |
| 72 | R | 89.1 | Confident | 83 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 39% | 0.389 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 174.9 | -75.7 | -177.8 | 175 | 153.8 | -3.4 | 112.1 | I45 D46 I68 S69 K70 L75 E76 | I45-R72 HydrophobicContact CD1-CG 4.08Å; I45-R72 HydrophobicContact CG2-CG 3.87Å; D46-R72 IonicContact OD1-CZ 2.86Å; D46-R72 IonicContact OD1-NH2 3.48Å; D46-R72 PolarHBondContact OD1-NH2 3.25Å; I68-R72 WeakPolarHBondContact O-CG 3.46Å; I68-R72 PolarHBondContact O-N 3.33Å; S69-R72 PolarHBondContact O-N 2.93Å; K70-R72 PolarHBondContact O-N 3Å; R72-L75 PolarHBondContact O-N 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 PolarHBondContact O-N 3.36Å |
| 73 | T | 88.6 | Confident | 81.5 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S69 K70 L75 E76 N77 | S69-T73 WeakPolarHBondContact O-CB 3.49Å; S69-T73 PolarHBondContact O-N 3.34Å; S69-T73 PolarHBondContact O-OG1 3.11Å; K70-T73 PolarHBondContact O-N 3.21Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.11Å; T73-E76 PolarHBondContact O-N 3.09Å; T73-N77 WeakPolarHBondContact O-CB 3.46Å; T73-N77 PolarHBondContact O-N 3.33Å; T73-N77 PolarHBondContact O-ND2 3.31Å |
| 74 | E | 85.1 | Confident | 79.7 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.6 | -171.1 | 171.4 | 168.7 | 0 | 0 | 110.9 | K70 E76 N77 D78 | K70-E74 PolarHBondContact O-N 2.94Å; E74-E76 PolarHBondContact O-N 2.76Å; E74-N77 WeakPolarHBondContact O-CB 3.45Å; E74-N77 PolarHBondContact O-N 3.35Å; E74-D78 PolarHBondContact O-N 3.11Å |
| 75 | L | 83.5 | Confident | 77.7 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 178.1 | -173 | 65.2 | 0 | 0 | 0 | 113.4 | Q41 I45 L71 R72 T73 Y79 | Q41-L75 HydrophobicContact CB-CD2 3.76Å; Q41-L75 HydrophobicContact CG-CD2 4.47Å; I45-L75 HydrophobicContact CD1-CD2 3.8Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 PolarHBondContact O-N 3Å; R72-L75 PolarHBondContact O-N 3.11Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.11Å; L75-Y79 PolarHBondContact O-N 3.38Å |
| 76 | E | 83.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.6 | -32.1 | 176.5 | -170.8 | 67.6 | -155.9 | 0 | 0 | 111.7 | R38 R72 T73 E74 Y79 R80 | R38-E76 IonicContact CZ-OE2 3.77Å; R38-E76 IonicContact NH2-OE1 3.84Å; R38-E76 PolarHBondContact NH2-OE1 3.23Å; R38-E76 IonicContact NH2-OE2 2.64Å; R38-E76 PolarHBondContact NH2-OE2 2.83Å; R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 PolarHBondContact O-N 3.36Å; T73-E76 PolarHBondContact O-N 3.09Å; E74-E76 PolarHBondContact O-N 2.76Å; E76-Y79 PolarHBondContact O-N 3.45Å; E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 VanDerWaalsContact O-N 3.11Å |
| 77 | N | 81.8 | Confident | 73.9 | Confident | 82 Ų | 82 | 89.4 Ų | 89.4 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 173.9 | -72.1 | -21.4 | 0 | 0 | 0 | 111.6 | T73 E74 Y79 R80 T81 | T73-N77 WeakPolarHBondContact O-CB 3.46Å; T73-N77 PolarHBondContact O-N 3.33Å; T73-N77 PolarHBondContact O-ND2 3.31Å; E74-N77 WeakPolarHBondContact O-CB 3.45Å; E74-N77 PolarHBondContact O-N 3.35Å; N77-Y79 PolarHBondContact O-N 3.06Å; N77-R80 PolarHBondContact O-N 2.97Å; N77-R80 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-N 3.19Å; N77-T81 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-OG1 2.86Å |
| 78 | D | 75.2 | Confident | 72.1 | Confident | 110 Ų | 110 | 88.8 Ų | 88.8 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.2 | -35.3 | 175.6 | -73.6 | -14.2 | 0 | 0 | 0 | 111.8 | E74 | E74-D78 PolarHBondContact O-N 3.11Å |
| 79 | Y | 69.4 | Low | 70.1 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 29% | 0.286 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -46.9 | 175.4 | 179.5 | -99.5 | 0 | 0 | 0 | 112.5 | L75 E76 N77 T81 N82 E83 | L75-Y79 PolarHBondContact O-N 3.38Å; E76-Y79 PolarHBondContact O-N 3.45Å; N77-Y79 PolarHBondContact O-N 3.06Å; Y79-T81 VanDerWaalsContact C-N 3.29Å; Y79-T81 PolarHBondContact O-N 3.39Å; Y79-N82 VanDerWaalsContact O-CB 3.3Å; Y79-N82 WeakPolarHBondContact O-CB 3.43Å; Y79-N82 PolarHBondContact O-N 2.64Å; Y79-E83 HydrophobicContact CE1-CG 3.9Å; Y79-E83 VanDerWaalsContact CE1-OE1 3.26Å; Y79-E83 WeakPolarHBondContact CE1-OE1 3.34Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.3Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-OE1 3.24Å; Y79-E83 PolarHBondContact O-N 2.98Å; Y79-E83 PolarHBondContact OH-OE1 3.29Å |
| 80 | R | 69.9 | Low | 68.1 | Low | 146 Ų | 146 | 96.3 Ų | 96.3 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -34.3 | -176.9 | -167.5 | -179.7 | -53.6 | -166.7 | 3.6 | 112.9 | E76 N77 N82 E83 Y84 | E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 VanDerWaalsContact O-N 3.11Å; N77-R80 PolarHBondContact O-N 2.97Å; N77-R80 VanDerWaalsContact O-N 3.11Å; R80-N82 PolarHBondContact O-N 2.82Å; R80-E83 PolarHBondContact O-N 2.86Å; R80-E83 VanDerWaalsContact O-N 3.14Å; R80-Y84 PolarHBondContact O-N 3.48Å |
| 81 | T | 60.9 | Low | 65.9 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 70% | 0.699 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -22.6 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | N77 Y79 | N77-T81 PolarHBondContact O-N 3.19Å; N77-T81 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-OG1 2.86Å; Y79-T81 VanDerWaalsContact C-N 3.29Å; Y79-T81 PolarHBondContact O-N 3.39Å |
| 82 | N | 55.7 | Low | 64 | Low | 99 Ų | 99 | 96.5 Ų | 96.5 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -82.3 | -34.5 | 174.2 | -169.9 | 39.4 | 0 | 0 | 0 | 113.3 | Y79 R80 | Y79-N82 VanDerWaalsContact O-CB 3.3Å; Y79-N82 WeakPolarHBondContact O-CB 3.43Å; Y79-N82 PolarHBondContact O-N 2.64Å; R80-N82 PolarHBondContact O-N 2.82Å |
| 83 | E | 55.5 | Low | 62.2 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.6 | -35.1 | -177.7 | -72.8 | -170.7 | 144.5 | 0 | 0 | 113.1 | Y79 R80 A85 G86 E87 | Y79-E83 HydrophobicContact CE1-CG 3.9Å; Y79-E83 VanDerWaalsContact CE1-OE1 3.26Å; Y79-E83 WeakPolarHBondContact CE1-OE1 3.34Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.3Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-OE1 3.24Å; Y79-E83 PolarHBondContact O-N 2.98Å; Y79-E83 PolarHBondContact OH-OE1 3.29Å; R80-E83 PolarHBondContact O-N 2.86Å; R80-E83 VanDerWaalsContact O-N 3.14Å; E83-A85 PolarHBondContact O-N 3.49Å; E83-G86 PolarHBondContact O-N 3.29Å; E83-G86 VanDerWaalsContact O-N 3.08Å; E83-E87 PolarHBondContact O-N 3.38Å |
| 84 | Y | 49.6 | Very low | 60.4 | Low | 175 Ų | 175 | 100.1 Ų | 100.1 | 69% | 0.686 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -23.9 | 179.7 | -122.9 | -91.2 | 0 | 0 | 0 | 113.7 | R80 | R80-Y84 PolarHBondContact O-N 3.48Å |
| 85 | A | 49.5 | Very low | 58.6 | Low | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.6 | -31.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E83 S88 | E83-A85 PolarHBondContact O-N 3.49Å; A85-S88 PolarHBondContact O-OG 2.9Å |
| 86 | G | 52.3 | Low | 57.1 | Low | 43 Ų | 43 | 102.9 Ų | 102.9 | 44% | 0.443 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E83 L89 | E83-G86 PolarHBondContact O-N 3.29Å; E83-G86 VanDerWaalsContact O-N 3.08Å; G86-L89 PolarHBondContact O-N 3.48Å |
| 87 | E | 49.6 | Very low | 55.7 | Low | 114 Ų | 114 | 105.6 Ų | 105.6 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -35.3 | -180 | -71.2 | 172.9 | 163.8 | 0 | 0 | 112.2 | E83 L89 N90 E91 | E83-E87 PolarHBondContact O-N 3.38Å; E87-L89 PolarHBondContact O-N 3.35Å; E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.14Å; E87-E91 PolarHBondContact O-N 3.02Å |
| 88 | S | 52.3 | Low | 53.9 | Low | 73 Ų | 73 | 109 Ų | 109 | 51% | 0.51 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.1 | -26.5 | 175.3 | 74 | 0 | 0 | 0 | 0 | 113.9 | A85 S92 | A85-S88 PolarHBondContact O-OG 2.9Å; S88-S92 PolarHBondContact O-N 2.86Å |
| 89 | L | 48.4 | Very low | 52.5 | Low | 114 Ų | 114 | 109 Ų | 109 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.5 | -27.8 | 177 | -72.8 | 172.3 | 0 | 0 | 0 | 112.5 | G86 E87 S92 I93 | G86-L89 PolarHBondContact O-N 3.48Å; E87-L89 PolarHBondContact O-N 3.35Å; L89-S92 PolarHBondContact O-N 2.99Å; L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.32Å |
| 90 | N | 49 | Very low | 51.2 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 59% | 0.594 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.9 | -37.2 | 178.7 | -159.6 | 9.9 | 0 | 0 | 0 | 111.7 | E87 S92 I93 Q94 | E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 VanDerWaalsContact C-N 3.31Å; N90-S92 PolarHBondContact O-N 3.21Å; N90-I93 PolarHBondContact O-N 2.8Å; N90-Q94 PolarHBondContact O-N 3.47Å |
| 91 | E | 45.8 | Very low | 50.2 | Low | 154 Ų | 154 | 107 Ų | 107 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65 | -33.1 | 170.9 | -91.1 | -175.9 | 153.8 | 0 | 0 | 112.6 | E87 I93 Q94 S95 | E87-E91 PolarHBondContact O-N 3.02Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 2.99Å; E91-Q94 PolarHBondContact O-N 3.25Å; E91-S95 PolarHBondContact O-N 2.93Å |
| 92 | S | 49.9 | Very low | 49.8 | Very low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71 | -23.5 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 113.8 | S88 L89 N90 S95 | S88-S92 PolarHBondContact O-N 2.86Å; L89-S92 PolarHBondContact O-N 2.99Å; N90-S92 VanDerWaalsContact C-N 3.31Å; N90-S92 PolarHBondContact O-N 3.21Å; S92-S95 PolarHBondContact O-OG 3.46Å |
| 93 | I | 50.8 | Low | 49.3 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 57% | 0.574 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.2 | -28.3 | 179.2 | -67.4 | 168.8 | 0 | 0 | 0 | 110.8 | L89 N90 E91 N97 | L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.32Å; N90-I93 PolarHBondContact O-N 2.8Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 2.99Å; I93-N97 PolarHBondContact O-ND2 2.71Å |
| 94 | Q | 50.4 | Low | 48.8 | Very low | 148 Ų | 148 | 114.7 Ų | 114.7 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.2 | -29.4 | 172.6 | -95.5 | 177.4 | -4.4 | 0 | 0 | 113.5 | N90 E91 N97 | N90-Q94 PolarHBondContact O-N 3.47Å; E91-Q94 PolarHBondContact O-N 3.25Å; Q94-N97 PolarHBondContact O-N 3.44Å |
| 95 | S | 48.8 | Very low | 48.6 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.7 | -20.7 | 179.2 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | E91 S92 N97 | E91-S95 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-OG 3.46Å; S95-N97 VanDerWaalsContact C-N 3.3Å; S95-N97 PolarHBondContact O-N 3.22Å |
| 96 | N | 51.9 | Low | 48.7 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -1.4 | 175.4 | -89.1 | -12.9 | 0 | 0 | 0 | 114.6 | ||
| 97 | N | 53.7 | Low | 48.4 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 6.4 | 178.7 | -73.2 | -50.5 | 0 | 0 | 0 | 114 | I93 Q94 S95 | I93-N97 PolarHBondContact O-ND2 2.71Å; Q94-N97 PolarHBondContact O-N 3.44Å; S95-N97 VanDerWaalsContact C-N 3.3Å; S95-N97 PolarHBondContact O-N 3.22Å |
| 98 | L | 43.6 | Very low | 48.2 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -139.7 | 67.7 | -174.7 | -85 | 163.7 | 0 | 0 | 0 | 112.2 | ||||
| 99 | S | 45.8 | Very low | 48.1 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -165.4 | 102.6 | 154.3 | 128.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 100 | A | 42.2 | Very low | 47.8 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | 79.1 | 136.1 | 80.7 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 101 | A | 48.7 | Very low | 47.9 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 68.2 | 90.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 102 | V | 52.2 | Low | 48.4 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | 58 | 84.7 | 87.7 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | H104 | V102-H104 PolarHBondContact O-N 2.93Š| |||
| 103 | I | 45.1 | Very low | 48.2 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -53.5 | 115.5 | 161.5 | -60.8 | 167.4 | 0 | 0 | 0 | 107.1 | ||||
| 104 | H | 46.1 | Very low | 48.1 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | -170.9 | 147.6 | 149.1 | -104 | -67.7 | 0 | 0 | 0 | 113.4 | V102 | V102-H104 PolarHBondContact O-N 2.93Š| ||
| 105 | D | 45.5 | Very low | 47.9 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 89 | 126.6 | 172.4 | -77.5 | -9.3 | 0 | 0 | 0 | 118.2 | ||||
| 106 | Q | 50.3 | Low | 48.1 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | cis | -154.8 | 175.3 | 30.9 | -128.4 | -163.1 | -63.6 | 0 | 0 | 111.6 | ||||
| 107 | P | 46.5 | Very low | 47.7 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | -120.4 | 150.8 | -119.4 | 30.7 | -8.8 | 0 | 0 | 0 | 113.9 | |||||
| 108 | S | 45.6 | Very low | 47.4 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 100.7 | 154.4 | -116.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 109 | N | 49.9 | Very low | 47.4 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 50.3 | 136.1 | 157.6 | -87 | -30.3 | 0 | 0 | 0 | 121.8 | ||||
| 110 | P | 41.1 | Very low | 47.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -88 | 120.2 | -161.2 | 34.9 | -29.6 | 0 | 0 | 0 | 111.1 | L112 | P110-L112 PolarHBondContact O-N 3.01Š| ||
| 111 | V | 52 | Low | 47.9 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -85.5 | 96.2 | 161.3 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 112 | L | 55.8 | Low | 47.9 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -62.1 | 128.5 | 173 | -71.5 | 170.1 | 0 | 0 | 0 | 109.7 | P110 | P110-L112 PolarHBondContact O-N 3.01Š| ||
| 113 | P | 47.1 | Very low | 47.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -87 | 124.8 | 174.2 | 33.1 | -27.4 | 0 | 0 | 0 | 108.9 | ||||
| 114 | V | 47.3 | Very low | 47.9 | Very low | 138 Ų | 138 | 132 Ų | 132 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -101.6 | 109.3 | 164.4 | 176 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 115 | S | 46.3 | Very low | 47.9 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -62.8 | 129.9 | 168.9 | -43.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 116 | E | 52.8 | Low | 48.1 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -171 | 115.5 | 142.4 | -108.6 | 170.8 | 175.9 | 0 | 0 | 112.3 | ||||
| 117 | T | 44.4 | Very low | 48 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | 78.4 | 120.8 | 139.6 | -49.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 118 | C | 47.9 | Very low | 48 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -46.8 | 178.2 | 167.6 | -58.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 119 | P | 43.6 | Very low | 48.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -135.4 | 160 | 2.4 | 26.9 | -3 | 0 | 0 | 0 | 116.9 | ||||
| 120 | V | 43.5 | Very low | 48.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | 6.1 | 113.9 | 144.1 | -177.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 121 | H | 55.2 | Low | 48.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -166.7 | 108.2 | 136.5 | -112.9 | -76.7 | 0 | 0 | 0 | 109.3 | ||||
| 122 | G | 47.4 | Very low | 48 | Very low | 60 Ų | 60 | 140.6 Ų | 140.6 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | trans | -92.4 | -168 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 123 | P | 48.7 | Very low | 47.2 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | cis | -123.2 | 175.6 | -29.7 | 37.1 | -22.7 | 0 | 0 | 0 | 109.9 | ||||
| 124 | S | 48 | Very low | 47.3 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -164.8 | 105.6 | 151.7 | -80.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 125 | L | 47.9 | Very low | 47.4 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 147.4 | 166.8 | -145.6 | 128.8 | 0 | 0 | 0 | 109 | ||||
| 126 | I | 48.4 | Very low | 47.4 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 139.1 | -157.6 | -68.9 | 146.4 | 0 | 0 | 0 | 114.5 | ||||
| 127 | N | 48.7 | Very low | 47.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 58% | 0.578 | 79% | 0.793 | S | S | * | * | trans | -18.8 | 153.3 | 163.4 | -135.5 | 3 | 0 | 0 | 0 | 117.7 | E129 | N127-E129 PolarHBondContact OD1-N 2.87Š| ||
| 128 | P | 45.8 | Very low | 47 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -138.2 | 138.3 | 87.6 | 33.4 | -18 | 0 | 0 | 0 | 115 | |||||
| 129 | E | 50.5 | Low | 46.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | trans | -61 | 130.1 | 170 | -83.5 | 174.1 | 106.3 | 0 | 0 | 111.6 | N127 | N127-E129 PolarHBondContact OD1-N 2.87Š| ||
| 130 | T | 50.7 | Low | 46.8 | Very low | 142 Ų | 142 | 137 Ų | 137 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | -157.8 | 123 | 123.9 | -72.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 131 | K | 42.8 | Very low | 46.7 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | -61.4 | 135.2 | -179.1 | -68.2 | 166.5 | 173.9 | 170.4 | 0 | 112.7 | ||||
| 132 | R | 44.8 | Very low | 46.1 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | -174.6 | 144 | 104.5 | -101 | -168 | 177.8 | 168.4 | 1.9 | 112.4 | |||||
| 133 | A | 40.1 | Very low | 46 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -48.7 | 152.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | S | 48.1 | Very low | 45.9 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -174.6 | 150.6 | 43.9 | 43.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 135 | N | 49.4 | Very low | 45.8 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 76.7 | 107.3 | 154.2 | -61.6 | 5.4 | 0 | 0 | 0 | 119.6 | ||||
| 136 | E | 47.1 | Very low | 45.7 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 48.5 | 99.6 | 126.5 | -62.7 | -177.1 | 137 | 0 | 0 | 118.4 | |||||
| 137 | S | 46.5 | Very low | 45.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | 162.7 | 149 | 115.9 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 138 | S | 41.2 | Very low | 45.6 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 144.5 | -155.4 | -46.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | S | 43.9 | Very low | 45.8 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 55.6 | 136.7 | 141.3 | 67.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 140 | S | 44.7 | Very low | 45.5 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 91.4 | 99.4 | 146.6 | 77.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 141 | Q | 40.9 | Very low | 45 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -166.6 | 92.5 | 130.8 | -128.3 | 179.9 | -38.1 | 0 | 0 | 109.7 | N144 | Q141-N144 WeakPolarHBondContact CB-OD1 3.37Å; Q141-N144 VanDerWaalsContact CG-OD1 3.23Å; Q141-N144 WeakPolarHBondContact CG-OD1 3.21Å; Q141-N144 PolarHBondContact NE2-ND2 3.36Å; Q141-N144 PolarHBondContact NE2-OD1 3.31Å | ||
| 142 | R | 43.2 | Very low | 45.3 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -108.3 | 56.8 | 157.9 | -82.2 | -166.9 | 178 | 138.6 | -1.2 | 107.4 | ||||
| 143 | D | 44.3 | Very low | 45.7 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 60.8 | -178.8 | -72.1 | -49.8 | 0 | 0 | 0 | 109.7 | ||||
| 144 | N | 46.1 | Very low | 46.1 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 49% | 0.487 | 79% | 0.792 | S | S | . | * | trans | -145.6 | -9 | -170.2 | -40.4 | 41.2 | 0 | 0 | 0 | 117.1 | Q141 | Q141-N144 WeakPolarHBondContact CB-OD1 3.37Å; Q141-N144 VanDerWaalsContact CG-OD1 3.23Å; Q141-N144 WeakPolarHBondContact CG-OD1 3.21Å; Q141-N144 PolarHBondContact NE2-ND2 3.36Å; Q141-N144 PolarHBondContact NE2-OD1 3.31Å | ||
| 145 | I | 46.9 | Very low | 45.9 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -108.3 | -9.3 | -162.3 | -56.7 | -178.5 | 0 | 0 | 0 | 114.8 | ||
| 146 | L | 46.1 | Very low | 45.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -118.1 | 8 | -176.4 | -130.9 | 126.9 | 0 | 0 | 0 | 116.3 | ||
| 147 | L | 46.9 | Very low | 45.8 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -98.5 | 4.7 | -175.8 | -120 | 100.8 | 0 | 0 | 0 | 115.4 | ||
| 148 | S | 48.7 | Very low | 46 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -106.3 | 2.3 | -168.3 | 60.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 149 | A | 48.7 | Very low | 46.6 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -113.1 | 0.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 150 | I | 45.3 | Very low | 46.7 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -116.9 | 76.7 | 178.2 | -53.3 | 178.1 | 0 | 0 | 0 | 109.7 | ||||
| 151 | K | 40.2 | Very low | 47.4 | Very low | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -116.1 | 84 | 166.4 | -172.6 | 176.8 | -176.9 | 178.6 | 0 | 107.6 | ||||
| 152 | I | 48.9 | Very low | 47.7 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -123.6 | 119.1 | 169 | -59.7 | 180 | 0 | 0 | 0 | 107.3 | ||||
| 153 | A | 52.5 | Low | 48.4 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 154 | A | 47.7 | Very low | 48.6 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 155 | V | 45.9 | Very low | 48.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 163.3 | -177.3 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 156 | P | 48.3 | Very low | 48.9 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -134.2 | 148.9 | 114.4 | 32.3 | -18.6 | 0 | 0 | 0 | 113.4 | |||||
| 157 | A | 46 | Very low | 49.1 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 158 | H | 49.9 | Very low | 49.3 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 140.1 | 167.1 | -179.5 | -79.4 | 0 | 0 | 0 | 109.7 | ||
| 159 | E | 53.7 | Low | 49.9 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 160.9 | -176.3 | -69.1 | 169.9 | 137 | 0 | 0 | 115.1 | ||
| 160 | E | 46.3 | Very low | 50.1 | Low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -44.7 | 141.2 | 175 | -69.2 | 174.5 | 124.2 | 0 | 0 | 113.7 | ||||
| 161 | T | 58.4 | Low | 50.4 | Low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -135.9 | 108 | 156.2 | -61.7 | 0 | 0 | 0 | 0 | 108.3 | N163 | T161-N163 PolarHBondContact O-N 3.04Š| ||
| 162 | E | 48.8 | Very low | 51.2 | Low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | -60.4 | 114 | 169.5 | -173 | -174.8 | 175.3 | 0 | 0 | 109.7 | ||||
| 163 | N | 56.1 | Low | 51.6 | Low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -110.4 | 86.4 | 167.9 | 59.1 | -17.7 | 0 | 0 | 0 | 110 | T161 S165 | T161-N163 PolarHBondContact O-N 3.04Å; N163-S165 PolarHBondContact O-N 2.73Å | ||
| 164 | K | 49.2 | Very low | 51.8 | Low | 189 Ų | 189 | 137.3 Ų | 137.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -64.1 | 110.5 | 164.8 | -158.9 | 170.8 | -167.7 | 168 | 0 | 108.3 | ||||
| 165 | S | 49.2 | Very low | 52.3 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -120.2 | 113.9 | 171.7 | -146.6 | 0 | 0 | 0 | 0 | 109.9 | N163 | N163-S165 PolarHBondContact O-N 2.73Š| ||
| 166 | S | 49.7 | Very low | 52.4 | Low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -85.4 | 164.1 | -177 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 167 | S | 50.7 | Low | 52.4 | Low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 100.4 | 117.8 | 158.1 | 96.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 168 | V | 52.4 | Low | 52.7 | Low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | -161.2 | 115.2 | 106.7 | 168 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 169 | L | 60.2 | Low | 52.8 | Low | 158 Ų | 158 | 142.5 Ų | 142.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 43.2 | 128.5 | 141.4 | -62.7 | 166.8 | 0 | 0 | 0 | 122.3 | ||||
| 170 | N | 52.2 | Low | 52.7 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 143.8 | 170.5 | -51.1 | -51.6 | 0 | 0 | 0 | 112.8 | ||||
| 171 | T | 52.5 | Low | 52.8 | Low | 148 Ų | 148 | 138.3 Ų | 138.3 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -121.4 | 122.8 | 149.1 | -48.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 172 | E | 57 | Low | 52.7 | Low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 138.2 | -174.9 | -179.9 | 176.2 | -166.4 | 0 | 0 | 111.6 | ||||
| 173 | A | 56.7 | Low | 52.9 | Low | 102 Ų | 102 | 143.1 Ų | 143.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -158.6 | 105.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 174 | P | 56.2 | Low | 52.7 | Low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 80% | 0.799 | S | S | * | * | trans | -100.5 | 175.9 | 166.2 | 36.9 | -27.8 | 0 | 0 | 0 | 111 | ||||
| 175 | N | 58.6 | Low | 52.9 | Low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 82.9 | 134.8 | 173 | -75.3 | 28 | 0 | 0 | 0 | 116 | ||||
| 176 | E | 48.5 | Very low | 53.1 | Low | 149 Ų | 149 | 141.4 Ų | 141.4 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | cis | -166.3 | 136.3 | -2.6 | -124.3 | 169.3 | 150 | 0 | 0 | 104.7 | ||||
| 177 | I | 47.5 | Very low | 53.3 | Low | 153 Ų | 153 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -94 | 122 | 161.2 | -67.8 | 168.7 | 0 | 0 | 0 | 105.1 | ||||
| 178 | N | 53.3 | Low | 53.5 | Low | 137 Ų | 137 | 145.9 Ų | 145.9 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 138.6 | 157.2 | -112.9 | -30.2 | 0 | 0 | 0 | 111.7 | ||||
| 179 | H | 52.8 | Low | 53.6 | Low | 151 Ų | 151 | 147.2 Ų | 147.2 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -68 | 149.4 | -175.4 | -63.3 | -95.8 | 0 | 0 | 0 | 112 | ||||
| 180 | D | 51.1 | Low | 53.1 | Low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | 169.1 | 127.5 | 112.8 | -89.4 | -23.8 | 0 | 0 | 0 | 113.6 | |||||
| 181 | T | 47.6 | Very low | 53.1 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 57 | 101.8 | 130.2 | -45.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 182 | L | 56 | Low | 53.2 | Low | 243 Ų | 243 | 145.3 Ų | 145.3 | 100% | 1.272 | 79% | 0.788 | S | S | * | * | -162.9 | 0 | 115.8 | -110.8 | 159.8 | 0 | 0 | 0 | 111.1 |
Retrieved 182 of 182 residues in 27.9 ms
(Link to these results)