| 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 | 56.7 | Low | 66.5 | Low | 218 Ų | 218 | 103.9 Ų | 103.9 | 100% | 1.074 | 56% | 0.557 | S | S | * | * | 0 | 1.8 | 0 | -85.6 | 168.6 | 154.9 | 0 | 0 | 113.8 | |||||
| 2 | T | 59 | Low | 67.6 | Low | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | trans | -84.3 | -31.2 | -179.8 | 38.3 | 0 | 0 | 0 | 0 | 114.1 | L4 N5 I6 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 2.88Å; T2-N5 PolarHBondContact O-N 3.32Å; T2-I6 PolarHBondContact O-N 3.45Å | ||
| 3 | S | 58 | Low | 68.5 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 67% | 0.671 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -28.3 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | I6 G7 | S3-I6 WeakPolarHBondContact O-CG2 3.5Å; S3-G7 PolarHBondContact O-N 3.29Å |
| 4 | L | 59.5 | Low | 69.2 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 76% | 0.759 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71 | -34.1 | 179.4 | -160.6 | 75 | 0 | 0 | 0 | 111.8 | T2 F8 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 2.88Å; L4-F8 PolarHBondContact O-N 3.31Å |
| 5 | N | 64.9 | Low | 70 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 179.1 | -83.2 | -43.8 | 0 | 0 | 0 | 112.2 | T2 G7 F8 C9 | T2-N5 PolarHBondContact O-N 3.32Å; N5-G7 VanDerWaalsContact C-N 3.33Å; N5-G7 PolarHBondContact O-N 2.81Å; N5-F8 PolarHBondContact O-N 3.28Å; N5-C9 PolarHBondContact O-N 2.66Å; N5-C9 VanDerWaalsContact O-N 3.08Å; N5-C9 PolarHBondContact O-SG 3.1Å; N5-C9 VanDerWaalsContact O-SG 3.42Å |
| 6 | I | 68 | Low | 70.7 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.7 | -140.1 | 81.4 | 0 | 0 | 0 | 110.2 | T2 S3 F8 C9 F10 | T2-I6 PolarHBondContact O-N 3.45Å; S3-I6 WeakPolarHBondContact O-CG2 3.5Å; I6-F8 PolarHBondContact O-N 3.39Å; I6-C9 WeakPolarHBondContact O-CB 3.4Å; I6-C9 PolarHBondContact O-N 3.39Å; I6-F10 HydrophobicContact CG1-CE2 3.9Å; I6-F10 HydrophobicContact CG2-CE2 4.32Å; I6-F10 WeakPolarHBondContact O-CD2 3.34Å; I6-F10 PolarHBondContact O-N 2.99Å; I6-F10 VanDerWaalsContact O-N 3.13Å |
| 7 | G | 69.8 | Low | 71.2 | Confident | 29 Ų | 29 | 98.3 Ų | 98.3 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S3 N5 C9 F10 I11 | S3-G7 PolarHBondContact O-N 3.29Å; N5-G7 VanDerWaalsContact C-N 3.33Å; N5-G7 PolarHBondContact O-N 2.81Å; G7-C9 VanDerWaalsContact C-N 3.32Å; G7-C9 PolarHBondContact O-N 3.48Å; G7-F10 PolarHBondContact O-N 3.16Å; G7-I11 WeakPolarHBondContact O-CG1 3.48Å; G7-I11 PolarHBondContact O-N 3.32Å |
| 8 | F | 71.2 | Confident | 71.5 | Confident | 128 Ų | 128 | 97.1 Ų | 97.1 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 176.7 | -169.9 | -106.9 | 0 | 0 | 0 | 112.4 | L4 N5 I6 I11 I12 | L4-F8 PolarHBondContact O-N 3.31Å; N5-F8 PolarHBondContact O-N 3.28Å; I6-F8 PolarHBondContact O-N 3.39Å; F8-I11 PolarHBondContact O-N 3.03Å; F8-I12 HydrophobicContact CD1-CD1 3.64Å; F8-I12 HydrophobicContact CD1-CG1 4.45Å; F8-I12 HydrophobicContact CE1-CD1 3.3Å; F8-I12 HydrophobicContact CE1-CG1 4.21Å; F8-I12 HydrophobicContact CZ-CD1 3.93Å; F8-I12 HydrophobicContact CZ-CG1 4.45Å; F8-I12 WeakPolarHBondContact O-CG1 3.29Å; F8-I12 PolarHBondContact O-N 3.25Å |
| 9 | C | 70.9 | Confident | 71.7 | Confident | 31 Ų | 31 | 101.3 Ų | 101.3 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.3 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | N5 I6 G7 I11 I12 I13 | N5-C9 PolarHBondContact O-N 2.66Å; N5-C9 VanDerWaalsContact O-N 3.08Å; N5-C9 PolarHBondContact O-SG 3.1Å; N5-C9 VanDerWaalsContact O-SG 3.42Å; I6-C9 WeakPolarHBondContact O-CB 3.4Å; I6-C9 PolarHBondContact O-N 3.39Å; G7-C9 VanDerWaalsContact C-N 3.32Å; G7-C9 PolarHBondContact O-N 3.48Å; C9-I11 VanDerWaalsContact C-N 3.3Å; C9-I11 PolarHBondContact O-N 3.06Å; C9-I12 PolarHBondContact O-N 2.88Å; C9-I13 VanDerWaalsContact O-CG1 3.26Å; C9-I13 WeakPolarHBondContact O-CG1 3.22Å; C9-I13 PolarHBondContact O-N 3.21Å |
| 10 | F | 74.5 | Confident | 71.7 | Confident | 135 Ų | 135 | 100.4 Ų | 100.4 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 175.2 | -75.7 | -71.8 | 0 | 0 | 0 | 112.1 | I6 G7 I13 F14 | I6-F10 HydrophobicContact CG1-CE2 3.9Å; I6-F10 HydrophobicContact CG2-CE2 4.32Å; I6-F10 WeakPolarHBondContact O-CD2 3.34Å; I6-F10 PolarHBondContact O-N 2.99Å; I6-F10 VanDerWaalsContact O-N 3.13Å; G7-F10 PolarHBondContact O-N 3.16Å; F10-I13 PolarHBondContact O-N 3.02Å; F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.36Å; F10-F14 PolarHBondContact O-N 3Å |
| 11 | I | 78.5 | Confident | 71.6 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.1 | -66.4 | 164.9 | 0 | 0 | 0 | 110.6 | G7 F8 C9 I13 F14 I15 | G7-I11 WeakPolarHBondContact O-CG1 3.48Å; G7-I11 PolarHBondContact O-N 3.32Å; F8-I11 PolarHBondContact O-N 3.03Å; C9-I11 VanDerWaalsContact C-N 3.3Å; C9-I11 PolarHBondContact O-N 3.06Å; I11-I13 PolarHBondContact O-N 3.49Å; I11-F14 PolarHBondContact O-N 3.3Å; I11-I15 HydrophobicContact CG2-CD1 3.83Å; I11-I15 HydrophobicContact CG2-CG1 4.49Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.36Å |
| 12 | I | 79.7 | Confident | 71.9 | Confident | 70 Ų | 70 | 92 Ų | 92 | 36% | 0.359 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 177.4 | -69 | 170.5 | 0 | 0 | 0 | 111 | F8 C9 F14 I15 I16 | F8-I12 HydrophobicContact CD1-CD1 3.64Å; F8-I12 HydrophobicContact CD1-CG1 4.45Å; F8-I12 HydrophobicContact CE1-CD1 3.3Å; F8-I12 HydrophobicContact CE1-CG1 4.21Å; F8-I12 HydrophobicContact CZ-CD1 3.93Å; F8-I12 HydrophobicContact CZ-CG1 4.45Å; F8-I12 WeakPolarHBondContact O-CG1 3.29Å; F8-I12 PolarHBondContact O-N 3.25Å; C9-I12 PolarHBondContact O-N 2.88Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.14Å; I12-I15 PolarHBondContact O-N 2.81Å; I12-I16 HydrophobicContact CG2-CD1 3.7Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 VanDerWaalsContact O-CG1 3.32Å; I12-I16 WeakPolarHBondContact O-CG1 2.99Å; I12-I16 PolarHBondContact O-N 3.31Å |
| 13 | I | 80.1 | Confident | 71.9 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 30% | 0.303 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 178.1 | -68 | 164.7 | 0 | 0 | 0 | 110.3 | C9 F10 I11 I15 I16 L17 F90 | C9-I13 VanDerWaalsContact O-CG1 3.26Å; C9-I13 WeakPolarHBondContact O-CG1 3.22Å; C9-I13 PolarHBondContact O-N 3.21Å; F10-I13 PolarHBondContact O-N 3.02Å; I11-I13 PolarHBondContact O-N 3.49Å; I13-I15 PolarHBondContact O-N 2.7Å; I13-I16 PolarHBondContact O-N 2.95Å; I13-L17 HydrophobicContact CG2-CD1 3.79Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.24Å; I13-L17 VanDerWaalsContact O-CG 3.32Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.35Å; I13-F90 HydrophobicContact CD1-CD2 4.3Å; I13-F90 HydrophobicContact CD1-CE2 4.19Å |
| 14 | F | 78.4 | Confident | 71.7 | Confident | 131 Ų | 131 | 89.9 Ų | 89.9 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 177.6 | -174.2 | -105.3 | 0 | 0 | 0 | 112.2 | F10 I11 I12 L17 N18 | F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.36Å; F10-F14 PolarHBondContact O-N 3Å; I11-F14 PolarHBondContact O-N 3.3Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.14Å; F14-L17 PolarHBondContact O-N 2.99Å; F14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.26Å; F14-N18 VanDerWaalsContact CZ-ND2 3.31Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.44Å; F14-N18 WeakPolarHBondContact O-CB 3.44Å; F14-N18 PolarHBondContact O-N 3.43Å; F14-N18 PolarHBondContact O-ND2 3.11Å |
| 15 | I | 81.5 | Confident | 71.4 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176 | -68 | 166.2 | 0 | 0 | 0 | 110.8 | I11 I12 I13 N18 R19 | I11-I15 HydrophobicContact CG2-CD1 3.83Å; I11-I15 HydrophobicContact CG2-CG1 4.49Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.36Å; I12-I15 PolarHBondContact O-N 2.81Å; I13-I15 PolarHBondContact O-N 2.7Å; I15-N18 PolarHBondContact O-N 3.49Å; I15-R19 WeakPolarHBondContact O-CB 3.48Å; I15-R19 PolarHBondContact O-N 2.95Å |
| 16 | I | 80.7 | Confident | 70.9 | Confident | 64 Ų | 64 | 92.5 Ų | 92.5 | 33% | 0.328 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 178.6 | -66.5 | 167.9 | 0 | 0 | 0 | 110.7 | I12 I13 N18 R19 L20 | I12-I16 HydrophobicContact CG2-CD1 3.7Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 VanDerWaalsContact O-CG1 3.32Å; I12-I16 WeakPolarHBondContact O-CG1 2.99Å; I12-I16 PolarHBondContact O-N 3.31Å; I13-I16 PolarHBondContact O-N 2.95Å; I16-N18 VanDerWaalsContact C-N 3.34Å; I16-N18 PolarHBondContact O-N 3.38Å; I16-R19 PolarHBondContact O-N 2.98Å; I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 WeakPolarHBondContact O-CB 3.49Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.4Å |
| 17 | L | 79.1 | Confident | 70 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 177.1 | -75.9 | 169.2 | 0 | 0 | 0 | 111.9 | I13 F14 R19 L20 N21 | I13-L17 HydrophobicContact CG2-CD1 3.79Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.24Å; I13-L17 VanDerWaalsContact O-CG 3.32Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.35Å; F14-L17 PolarHBondContact O-N 2.99Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 2.98Å; L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.29Å; L17-N21 PolarHBondContact O-N 3.45Å |
| 18 | N | 75.9 | Confident | 69 | Low | 76 Ų | 76 | 99.2 Ų | 99.2 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.2 | -76.2 | -39.4 | 0 | 0 | 0 | 112.2 | F14 I15 I16 N21 A22 | F14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.26Å; F14-N18 VanDerWaalsContact CZ-ND2 3.31Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.44Å; F14-N18 WeakPolarHBondContact O-CB 3.44Å; F14-N18 PolarHBondContact O-N 3.43Å; F14-N18 PolarHBondContact O-ND2 3.11Å; I15-N18 PolarHBondContact O-N 3.49Å; I16-N18 VanDerWaalsContact C-N 3.34Å; I16-N18 PolarHBondContact O-N 3.38Å; N18-N21 PolarHBondContact O-N 2.71Å; N18-A22 PolarHBondContact O-N 3.1Å |
| 19 | R | 76 | Confident | 67.9 | Low | 177 Ų | 177 | 99.1 Ų | 99.1 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -44 | 177.5 | -167.9 | -179.4 | 178.9 | -175.6 | 5.7 | 111.7 | I15 I16 L17 N21 A22 E23 | I15-R19 WeakPolarHBondContact O-CB 3.48Å; I15-R19 PolarHBondContact O-N 2.95Å; I16-R19 PolarHBondContact O-N 2.98Å; L17-R19 VanDerWaalsContact C-N 3.35Å; R19-N21 VanDerWaalsContact C-N 3.3Å; R19-N21 PolarHBondContact O-N 3.08Å; R19-A22 WeakPolarHBondContact O-CB 3.32Å; R19-A22 PolarHBondContact O-N 2.85Å; R19-E23 IonicContact NE-OE1 3.48Å; R19-E23 PolarHBondContact NE-OE1 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.42Å; R19-E23 PolarHBondContact O-N 3.21Å |
| 20 | L | 72.5 | Confident | 66.9 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 174.3 | -71.8 | 172.2 | 0 | 0 | 0 | 111.3 | I16 L17 A22 E23 T24 | I16-L20 HydrophobicContact CG2-CD1 3.91Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 WeakPolarHBondContact O-CB 3.49Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.4Å; L17-L20 PolarHBondContact O-N 2.98Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-E23 PolarHBondContact O-N 3.38Å; L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.45Å; L20-T24 VanDerWaalsContact O-OG1 3.08Å |
| 21 | N | 68.1 | Low | 65.6 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 176 | -166.8 | 37.9 | 0 | 0 | 0 | 112.4 | L17 N18 R19 T24 R25 | L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.29Å; L17-N21 PolarHBondContact O-N 3.45Å; N18-N21 PolarHBondContact O-N 2.71Å; R19-N21 VanDerWaalsContact C-N 3.3Å; R19-N21 PolarHBondContact O-N 3.08Å; N21-T24 VanDerWaalsContact CA-OG1 3.26Å; N21-T24 WeakPolarHBondContact CA-OG1 3.36Å; N21-T24 PolarHBondContact O-OG1 2.87Å; N21-R25 WeakPolarHBondContact O-CB 3.32Å; N21-R25 VanDerWaalsContact O-CG 3.22Å; N21-R25 WeakPolarHBondContact O-CG 3.46Å; N21-R25 PolarHBondContact O-N 3.45Å; N21-R25 VanDerWaalsContact O-N 3.11Å |
| 22 | A | 63 | Low | 63.9 | Low | 53 Ų | 53 | 104.8 Ų | 104.8 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | N18 R19 L20 R25 L26 | N18-A22 PolarHBondContact O-N 3.1Å; R19-A22 WeakPolarHBondContact O-CB 3.32Å; R19-A22 PolarHBondContact O-N 2.85Å; L20-A22 VanDerWaalsContact C-N 3.33Å; A22-R25 PolarHBondContact O-N 3.18Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.88Å |
| 23 | E | 59.9 | Low | 62.3 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 177.4 | -71.2 | 177.9 | -168.3 | 0 | 0 | 112.2 | R19 L20 R25 L26 L27 | R19-E23 IonicContact NE-OE1 3.48Å; R19-E23 PolarHBondContact NE-OE1 3.48Å; R19-E23 WeakPolarHBondContact O-CG 3.42Å; R19-E23 PolarHBondContact O-N 3.21Å; L20-E23 PolarHBondContact O-N 3.38Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.92Å; E23-L26 PolarHBondContact O-N 2.91Å; E23-L27 WeakPolarHBondContact O-CG 3.33Å; E23-L27 PolarHBondContact O-N 3.05Å |
| 24 | T | 54.5 | Low | 60.4 | Low | 70 Ų | 70 | 109.9 Ų | 109.9 | 43% | 0.429 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -33.5 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | L20 N21 L27 Q28 | L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.45Å; L20-T24 VanDerWaalsContact O-OG1 3.08Å; N21-T24 VanDerWaalsContact CA-OG1 3.26Å; N21-T24 WeakPolarHBondContact CA-OG1 3.36Å; N21-T24 PolarHBondContact O-OG1 2.87Å; T24-L27 PolarHBondContact O-N 3.49Å; T24-Q28 WeakPolarHBondContact O-CB 3.44Å; T24-Q28 PolarHBondContact O-N 3.29Å |
| 25 | R | 51.5 | Low | 58.9 | Low | 176 Ų | 176 | 114.3 Ų | 114.3 | 66% | 0.664 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -34.8 | 173.8 | -71.4 | -178.6 | 98.1 | -166.7 | 5.6 | 112.4 | N21 A22 E23 N29 | N21-R25 WeakPolarHBondContact O-CB 3.32Å; N21-R25 VanDerWaalsContact O-CG 3.22Å; N21-R25 WeakPolarHBondContact O-CG 3.46Å; N21-R25 PolarHBondContact O-N 3.45Å; N21-R25 VanDerWaalsContact O-N 3.11Å; A22-R25 PolarHBondContact O-N 3.18Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.92Å; R25-N29 WeakPolarHBondContact O-CB 3.23Å; R25-N29 PolarHBondContact O-N 3.44Å |
| 26 | L | 54.2 | Low | 56.7 | Low | 125 Ų | 125 | 116 Ų | 116 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -37.6 | 172.5 | -70.4 | 173.9 | 0 | 0 | 0 | 112 | A22 E23 V30 | A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.88Å; E23-L26 PolarHBondContact O-N 2.91Å; L26-V30 PolarHBondContact O-N 3.42Å |
| 27 | L | 50.7 | Low | 55.1 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.2 | -32.9 | 175.5 | -69.5 | 170.9 | 0 | 0 | 0 | 112.6 | E23 T24 V30 T31 | E23-L27 WeakPolarHBondContact O-CG 3.33Å; E23-L27 PolarHBondContact O-N 3.05Å; T24-L27 PolarHBondContact O-N 3.49Å; L27-V30 PolarHBondContact O-N 3.31Å; L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.26Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 2.94Å |
| 28 | Q | 47.8 | Very low | 53.3 | Low | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.5 | -35 | 172.2 | -93.3 | -177.3 | -33.9 | 0 | 0 | 112.3 | T24 V30 T31 E32 | T24-Q28 WeakPolarHBondContact O-CB 3.44Å; T24-Q28 PolarHBondContact O-N 3.29Å; Q28-V30 PolarHBondContact O-N 3.07Å; Q28-T31 CarbonylContact O-C 3.18Å; Q28-T31 PolarHBondContact O-N 2.88Å; Q28-T31 VanDerWaalsContact O-N 3.14Å; Q28-E32 PolarHBondContact O-N 2.88Å |
| 29 | N | 47.6 | Very low | 51.9 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -13.4 | 177.7 | -143.1 | 28.1 | 0 | 0 | 0 | 113.5 | R25 | R25-N29 WeakPolarHBondContact O-CB 3.23Å; R25-N29 PolarHBondContact O-N 3.44Å |
| 30 | V | 50.2 | Low | 50.4 | Low | 127 Ų | 127 | 119.3 Ų | 119.3 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -15.1 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | L26 L27 Q28 | L26-V30 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 3.31Å; Q28-V30 PolarHBondContact O-N 3.07Å |
| 31 | T | 47.1 | Very low | 49 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -124.5 | 42.1 | -178.1 | -30.3 | 0 | 0 | 0 | 0 | 109.9 | L27 Q28 | L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.26Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 2.94Å; Q28-T31 CarbonylContact O-C 3.18Å; Q28-T31 PolarHBondContact O-N 2.88Å; Q28-T31 VanDerWaalsContact O-N 3.14Å |
| 32 | E | 44.1 | Very low | 47.9 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | trans | -80.6 | 133.5 | 169 | -105.8 | -175.7 | 167.9 | 0 | 0 | 109.3 | Q28 | Q28-E32 PolarHBondContact O-N 2.88Š| ||
| 33 | P | 44.6 | Very low | 46.8 | Very low | 104 Ų | 104 | 127 Ų | 127 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -74.4 | 137.1 | -165.5 | 32 | -33.1 | 0 | 0 | 0 | 109.2 | R35 | P33-R35 PolarHBondContact O-N 3.31Š| ||
| 34 | S | 40.6 | Very low | 45.8 | Very low | 132 Ų | 132 | 128 Ų | 128 | 92% | 0.923 | 71% | 0.71 | S | S | * | * | trans | -59.7 | 84.6 | 165.7 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | N36 | S34-N36 PolarHBondContact O-N 2.96Š| ||
| 35 | R | 47 | Very low | 45.2 | Very low | 224 Ų | 224 | 131.2 Ų | 131.2 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -70.9 | 113.9 | 177.7 | -176.7 | 178.6 | 179 | 176.4 | -0.7 | 107.7 | P33 | P33-R35 PolarHBondContact O-N 3.31Š| ||
| 36 | N | 36.1 | Very low | 44.7 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 21.8 | 106.9 | 154.1 | -74.1 | 4.4 | 0 | 0 | 0 | 116.7 | S34 | S34-N36 PolarHBondContact O-N 2.96Š| ||
| 37 | T | 46 | Very low | 44.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | -119.1 | 94.7 | 140.7 | -52.3 | 0 | 0 | 0 | 0 | 108 | I39 | T37-I39 HydrophobicContact CG2-CD1 3.96Å; T37-I39 HydrophobicContact CG2-CG1 3.46Å; T37-I39 VanDerWaalsContact CG2-CG1 3.46Å; T37-I39 PolarHBondContact O-N 3.49Å; T37-I39 VanDerWaalsContact O-N 3.16Å | ||
| 38 | T | 41.6 | Very low | 43.6 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -68.4 | 97.7 | 163.1 | -49.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 39 | I | 46.6 | Very low | 43.1 | Very low | 134 Ų | 134 | 133 Ų | 133 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -93.9 | 127.2 | 171 | -54.2 | -178.4 | 0 | 0 | 0 | 106.8 | T37 T41 | T37-I39 HydrophobicContact CG2-CD1 3.96Å; T37-I39 HydrophobicContact CG2-CG1 3.46Å; T37-I39 VanDerWaalsContact CG2-CG1 3.46Å; T37-I39 PolarHBondContact O-N 3.49Å; T37-I39 VanDerWaalsContact O-N 3.16Å; I39-T41 PolarHBondContact O-N 3.42Å | ||
| 40 | P | 44.8 | Very low | 43 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 133.2 | -168 | 23.8 | -33.7 | 0 | 0 | 0 | 112.1 | S42 | P40-S42 PolarHBondContact O-N 3.25Š| ||
| 41 | T | 42.4 | Very low | 42.8 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 79.2 | 165.9 | -41.7 | 0 | 0 | 0 | 0 | 109.1 | I39 | I39-T41 PolarHBondContact O-N 3.42Š| ||
| 42 | S | 45.2 | Very low | 42.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -98.1 | 104.3 | 157.9 | -91.3 | 0 | 0 | 0 | 0 | 108.1 | P40 S44 | P40-S42 PolarHBondContact O-N 3.25Å; S42-S44 PolarHBondContact O-N 3.15Å; S42-S44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | T | 40.5 | Very low | 42.1 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | -34.5 | 107.7 | 145.8 | -48.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | S | 38.8 | Very low | 42 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 167.2 | 138.7 | 140.3 | -150.8 | 0 | 0 | 0 | 0 | 108.6 | S42 | S42-S44 PolarHBondContact O-N 3.15Å; S42-S44 VanDerWaalsContact O-N 3.1Å | ||
| 45 | D | 42.3 | Very low | 41.7 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 69.2 | 93.6 | 154.1 | -55.1 | -43.6 | 0 | 0 | 0 | 118.7 | ||||
| 46 | R | 41.3 | Very low | 41.4 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | 61.3 | 92 | 112.1 | -166.5 | 169.4 | -179.4 | 129.5 | 1.1 | 115.8 | |||||
| 47 | T | 44.4 | Very low | 41.6 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 134.1 | 135 | 56.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 48 | T | 36.4 | Very low | 41.2 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 87.1 | 113.8 | 144.9 | -2.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 49 | S | 37.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -173.5 | 74 | 127.9 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 50 | T | 44.8 | Very low | 41.7 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -83.5 | 105.1 | 135.5 | -60.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 51 | Q | 46.7 | Very low | 42.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | S | Bend | 66.7 | 126 | 105.7 | -61.6 | 168.7 | 7.8 | 0 | 0 | 113.8 | |||
| 52 | T | 41.2 | Very low | 43 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 75.6 | 105 | 164.8 | -39.8 | 0 | 0 | 0 | 0 | 115.5 | M54 | T52-M54 PolarHBondContact O-N 3.41Š| ||
| 53 | K | 36.3 | Very low | 43.7 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -51.2 | 98.7 | 154.9 | -82.3 | 177.1 | 172.4 | 177.2 | 0 | 108.9 | ||
| 54 | M | 41.3 | Very low | 45 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -178.1 | 116.9 | 132.2 | -99.1 | -179.3 | -79.6 | 0 | 0 | 110.1 | T52 T56 | T52-M54 PolarHBondContact O-N 3.41Å; M54-T56 PolarHBondContact O-N 3.01Å | ||
| 55 | K | 33.6 | Very low | 46.2 | Very low | 209 Ų | 209 | 146 Ų | 146 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 103.5 | -178.5 | -179 | -176.4 | -176 | -177.7 | 0 | 109.6 | ||||
| 56 | T | 42.5 | Very low | 47.1 | Very low | 131 Ų | 131 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -145.5 | 111.9 | 162.2 | -9.3 | 0 | 0 | 0 | 0 | 111.4 | M54 | M54-T56 PolarHBondContact O-N 3.01Š| ||
| 57 | T | 40.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 146 Ų | 146 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -24.5 | 127.4 | 169.9 | -27.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 58 | G | 37.7 | Very low | 48 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 111.5 | 119 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 59 | Q | 45.9 | Very low | 48.7 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 96.2 | 124 | 160.3 | -52.2 | -154.7 | -3.2 | 0 | 0 | 118.6 | T61 | Q59-T61 PolarHBondContact O-N 3.48Š| ||
| 60 | P | 53.1 | Low | 49.3 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -73.7 | 113 | 176 | 29.9 | -31.8 | 0 | 0 | 0 | 110.3 | I62 | P60-I62 PolarHBondContact O-N 3.14Š| ||
| 61 | T | 55.7 | Low | 49.4 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -82 | 112.4 | 171.2 | -59.2 | 0 | 0 | 0 | 0 | 108.9 | Q59 L63 | Q59-T61 PolarHBondContact O-N 3.48Å; T61-L63 PolarHBondContact O-N 3.17Å | ||
| 62 | I | 58.4 | Low | 49.6 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -75.6 | 108 | 173.5 | -57.6 | 173.1 | 0 | 0 | 0 | 107.9 | P60 I64 | P60-I62 PolarHBondContact O-N 3.14Å; I62-I64 HydrophobicContact CG2-CG1 4.02Å; I62-I64 PolarHBondContact O-N 3.37Å | ||
| 63 | L | 60.3 | Low | 50.1 | Low | 136 Ų | 136 | 142.9 Ų | 142.9 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -79 | 99.4 | 170.2 | -89.8 | 143.9 | 0 | 0 | 0 | 109.1 | T61 F65 | T61-L63 PolarHBondContact O-N 3.17Å; L63-F65 HydrophobicContact CB-CE2 4.22Å; L63-F65 PolarHBondContact O-N 3.25Å | ||
| 64 | I | 67 | Low | 51 | Low | 126 Ų | 126 | 143.8 Ų | 143.8 | 65% | 0.646 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 105 | 169.8 | -56.6 | 174.4 | 0 | 0 | 0 | 107.4 | I62 W66 | I62-I64 HydrophobicContact CG2-CG1 4.02Å; I62-I64 PolarHBondContact O-N 3.37Å; I64-W66 PolarHBondContact O-N 3.46Å | ||
| 65 | F | 64.6 | Low | 51.8 | Low | 178 Ų | 178 | 139 Ų | 139 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -73.8 | 104.8 | 167.4 | -71.5 | -86.9 | 0 | 0 | 0 | 108.5 | L63 N67 | L63-F65 HydrophobicContact CB-CE2 4.22Å; L63-F65 PolarHBondContact O-N 3.25Å; F65-N67 VanDerWaalsContact C-N 3.34Å; F65-N67 PolarHBondContact O-N 3.29Å | ||
| 66 | W | 60.4 | Low | 52.9 | Low | 220 Ų | 220 | 137.2 Ų | 137.2 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -68.3 | 97.5 | 163.7 | -79.2 | 76.6 | 0 | 0 | 0 | 107.6 | I64 D68 | I64-W66 PolarHBondContact O-N 3.46Å; W66-D68 VanDerWaalsContact C-N 3.25Å; W66-D68 PolarHBondContact O-N 3.43Å | ||
| 67 | N | 54 | Low | 53.7 | Low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -77.1 | 82 | 173.3 | -164.3 | 24.3 | 0 | 0 | 0 | 107.8 | F65 S69 | F65-N67 VanDerWaalsContact C-N 3.34Å; F65-N67 PolarHBondContact O-N 3.29Å; N67-S69 PolarHBondContact ND2-OG 3.04Å; N67-S69 PolarHBondContact O-N 2.96Å; N67-S69 PolarHBondContact O-OG 3.23Å; N67-S69 VanDerWaalsContact O-OG 3.1Å; N67-S69 PolarHBondContact OD1-OG 3.13Å | ||
| 68 | D | 50.7 | Low | 54.8 | Low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -62.8 | 75.9 | 168.2 | -91.2 | -22.9 | 0 | 0 | 0 | 109.3 | W66 E70 | W66-D68 VanDerWaalsContact C-N 3.25Å; W66-D68 PolarHBondContact O-N 3.43Å; D68-E70 PolarHBondContact O-N 3.08Å | ||
| 69 | S | 50.8 | Low | 56.1 | Low | 74 Ų | 74 | 139.8 Ų | 139.8 | 52% | 0.517 | 71% | 0.709 | S | S | . | * | trans | -87.4 | 14.2 | -177.3 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | N67 | N67-S69 PolarHBondContact ND2-OG 3.04Å; N67-S69 PolarHBondContact O-N 2.96Å; N67-S69 PolarHBondContact O-OG 3.23Å; N67-S69 VanDerWaalsContact O-OG 3.1Å; N67-S69 PolarHBondContact OD1-OG 3.13Å | ||
| 70 | E | 50.4 | Low | 57 | Low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -99.9 | 12.3 | -172.6 | -144.7 | 177.6 | 165.6 | 0 | 0 | 114.4 | D68 | D68-E70 PolarHBondContact O-N 3.08Š| ||
| 71 | S | 46.8 | Very low | 57.7 | Low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -96.2 | -3.7 | 178.6 | 74 | 0 | 0 | 0 | 0 | 115.5 | ||
| 72 | S | 51 | Low | 58.3 | Low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -0.7 | -167.4 | 70.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 73 | S | 51.3 | Low | 58.9 | Low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 3.3 | -172.8 | 53 | 0 | 0 | 0 | 0 | 115.4 | ||
| 74 | R | 56.2 | Low | 59.6 | Low | 222 Ų | 222 | 131 Ų | 131 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | trans | -115.3 | 10.6 | -164.3 | -62.4 | -165.9 | -178.7 | -154.4 | 3 | 120.7 | ||||
| 75 | P | 56.9 | Low | 60 | Low | 73 Ų | 73 | 128.4 Ų | 128.4 | 47% | 0.474 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -98.4 | 1.9 | 170.9 | 35.3 | -31.7 | 0 | 0 | 0 | 115.4 | W78 | P75-W78 VanDerWaalsContact C-CD1 3.49Å; P75-W78 PolarHBondContact O-NE1 3.44Å |
| 76 | K | 57.8 | Low | 60.5 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82 | -34.8 | -175.6 | -66.5 | -174.6 | -178.8 | 179.8 | 0 | 114.3 | W78 T80 | K76-W78 PolarHBondContact O-N 2.92Å; K76-T80 PolarHBondContact O-N 3.47Å; K76-T80 PolarHBondContact O-OG1 3.11Å; K76-T80 VanDerWaalsContact O-OG1 3.09Å |
| 77 | K | 58.4 | Low | 61 | Low | 186 Ų | 186 | 117.1 Ų | 117.1 | 81% | 0.809 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.4 | -34.9 | -174 | -71.7 | -172.6 | 176.7 | -176.7 | 0 | 113.7 | M81 | K77-M81 PolarHBondContact O-N 3.4Å; K77-M81 VanDerWaalsContact O-N 3.14Å |
| 78 | W | 62.9 | Low | 61.9 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.9 | -43.1 | -178.4 | 78.4 | -78.3 | 0 | 0 | 0 | 111.6 | P75 K76 T80 M81 W82 | P75-W78 VanDerWaalsContact C-CD1 3.49Å; P75-W78 PolarHBondContact O-NE1 3.44Å; K76-W78 PolarHBondContact O-N 2.92Å; W78-T80 VanDerWaalsContact C-N 3.34Å; W78-T80 PolarHBondContact O-N 3.34Å; W78-M81 WeakPolarHBondContact O-CB 3.32Å; W78-M81 PolarHBondContact O-N 3.47Å; W78-M81 VanDerWaalsContact O-N 3.15Å; W78-W82 AromaticContact CE3-CD1 3.48Å; W78-W82 VanDerWaalsContact CE3-CD1 3.48Å; W78-W82 AromaticContact CE3-NE1 3.67Å; W78-W82 PolarHBondContact O-N 2.97Å |
| 79 | I | 64.7 | Low | 62.9 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 48% | 0.482 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60 | -42.8 | 176.8 | -72.9 | 156.9 | 0 | 0 | 0 | 111.4 | M81 W82 S83 | I79-M81 VanDerWaalsContact C-N 3.33Å; I79-M81 PolarHBondContact O-N 3.39Å; I79-W82 PolarHBondContact O-N 3.4Å; I79-S83 WeakPolarHBondContact O-CB 3.05Å; I79-S83 PolarHBondContact O-N 3.3Å |
| 80 | T | 65.4 | Low | 63.8 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -40 | 176.6 | -48.4 | 0 | 0 | 0 | 0 | 111.6 | K76 W78 S83 V84 | K76-T80 PolarHBondContact O-N 3.47Å; K76-T80 PolarHBondContact O-OG1 3.11Å; K76-T80 VanDerWaalsContact O-OG1 3.09Å; W78-T80 VanDerWaalsContact C-N 3.34Å; W78-T80 PolarHBondContact O-N 3.34Å; T80-S83 PolarHBondContact O-N 3.41Å; T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.09Å; T80-V84 VanDerWaalsContact O-N 3.11Å |
| 81 | M | 67.2 | Low | 64.8 | Low | 142 Ų | 142 | 113.2 Ų | 113.2 | 70% | 0.7 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -45.5 | 178.4 | -165 | 176 | -177.4 | 0 | 0 | 111.7 | K77 W78 I79 V84 V85 | K77-M81 PolarHBondContact O-N 3.4Å; K77-M81 VanDerWaalsContact O-N 3.14Å; W78-M81 WeakPolarHBondContact O-CB 3.32Å; W78-M81 PolarHBondContact O-N 3.47Å; W78-M81 VanDerWaalsContact O-N 3.15Å; I79-M81 VanDerWaalsContact C-N 3.33Å; I79-M81 PolarHBondContact O-N 3.39Å; M81-V84 PolarHBondContact O-N 3.49Å; M81-V85 WeakPolarHBondContact O-CG2 3.48Å; M81-V85 PolarHBondContact O-N 2.91Å |
| 82 | W | 70.2 | Confident | 65.9 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.2 | -37.2 | 176.3 | -72.1 | 108.8 | 0 | 0 | 0 | 112.8 | W78 I79 V84 V85 I86 | W78-W82 AromaticContact CE3-CD1 3.48Å; W78-W82 VanDerWaalsContact CE3-CD1 3.48Å; W78-W82 AromaticContact CE3-NE1 3.67Å; W78-W82 PolarHBondContact O-N 2.97Å; I79-W82 PolarHBondContact O-N 3.4Å; W82-V84 PolarHBondContact O-N 3.31Å; W82-V85 PolarHBondContact O-N 3.46Å; W82-I86 WeakPolarHBondContact O-CD1 3.44Å; W82-I86 VanDerWaalsContact O-CG1 3.23Å; W82-I86 WeakPolarHBondContact O-CG1 3.34Å; W82-I86 PolarHBondContact O-N 3.42Å |
| 83 | S | 69.7 | Low | 66.7 | Low | 65 Ų | 65 | 111.3 Ų | 111.3 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.4 | -41.4 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | I79 T80 T87 | I79-S83 WeakPolarHBondContact O-CB 3.05Å; I79-S83 PolarHBondContact O-N 3.3Å; T80-S83 PolarHBondContact O-N 3.41Å; S83-T87 WeakPolarHBondContact O-CB 3.37Å; S83-T87 PolarHBondContact O-N 3.39Å; S83-T87 PolarHBondContact O-OG1 2.92Å |
| 84 | V | 75 | Confident | 67.5 | Low | 84 Ų | 84 | 111 Ų | 111 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | T80 M81 W82 I86 T87 T88 | T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.09Å; T80-V84 VanDerWaalsContact O-N 3.11Å; M81-V84 PolarHBondContact O-N 3.49Å; W82-V84 PolarHBondContact O-N 3.31Å; V84-I86 VanDerWaalsContact C-N 3.34Å; V84-I86 PolarHBondContact O-N 3.19Å; V84-T87 PolarHBondContact O-N 3.39Å; V84-T88 PolarHBondContact O-N 3.02Å; V84-T88 PolarHBondContact O-OG1 3.38Å |
| 85 | V | 76.4 | Confident | 68 | Low | 73 Ų | 73 | 103.8 Ų | 103.8 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | M81 W82 T87 T88 V89 | M81-V85 WeakPolarHBondContact O-CG2 3.48Å; M81-V85 PolarHBondContact O-N 2.91Å; W82-V85 PolarHBondContact O-N 3.46Å; V85-T87 VanDerWaalsContact C-N 3.35Å; V85-T87 PolarHBondContact O-N 3.04Å; V85-T88 PolarHBondContact O-N 3.39Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.37Å; V85-V89 PolarHBondContact O-N 3.46Å |
| 86 | I | 73.5 | Confident | 68 | Low | 77 Ų | 77 | 108 Ų | 108 | 40% | 0.395 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 178.4 | -67.2 | 164 | 0 | 0 | 0 | 110.8 | W82 V84 T88 V89 F90 | W82-I86 WeakPolarHBondContact O-CD1 3.44Å; W82-I86 VanDerWaalsContact O-CG1 3.23Å; W82-I86 WeakPolarHBondContact O-CG1 3.34Å; W82-I86 PolarHBondContact O-N 3.42Å; V84-I86 VanDerWaalsContact C-N 3.34Å; V84-I86 PolarHBondContact O-N 3.19Å; I86-T88 PolarHBondContact O-N 2.72Å; I86-V89 PolarHBondContact O-N 3.03Å; I86-F90 WeakPolarHBondContact O-CB 3.31Å; I86-F90 PolarHBondContact O-N 2.96Å |
| 87 | T | 71.7 | Confident | 67.7 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | -179.2 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | S83 V84 V85 F90 Y91 | S83-T87 WeakPolarHBondContact O-CB 3.37Å; S83-T87 PolarHBondContact O-N 3.39Å; S83-T87 PolarHBondContact O-OG1 2.92Å; V84-T87 PolarHBondContact O-N 3.39Å; V85-T87 VanDerWaalsContact C-N 3.35Å; V85-T87 PolarHBondContact O-N 3.04Å; T87-F90 PolarHBondContact O-N 3.45Å; T87-Y91 WeakPolarHBondContact O-CB 3.5Å; T87-Y91 PolarHBondContact O-N 3.19Å |
| 88 | T | 72.7 | Confident | 68.1 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | V84 V85 I86 Y91 F92 | V84-T88 PolarHBondContact O-N 3.02Å; V84-T88 PolarHBondContact O-OG1 3.38Å; V85-T88 PolarHBondContact O-N 3.39Å; I86-T88 PolarHBondContact O-N 2.72Å; T88-Y91 PolarHBondContact O-N 3.47Å; T88-F92 WeakPolarHBondContact O-CB 3.31Å; T88-F92 PolarHBondContact O-N 2.9Å |
| 89 | V | 72.6 | Confident | 68.4 | Low | 87 Ų | 87 | 99.7 Ų | 99.7 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | V85 I86 Y91 F92 V93 | V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.37Å; V85-V89 PolarHBondContact O-N 3.46Å; I86-V89 PolarHBondContact O-N 3.03Å; V89-Y91 PolarHBondContact O-N 2.99Å; V89-F92 PolarHBondContact O-N 3.31Å; V89-V93 HydrophobicContact CG1-CG2 4.49Å; V89-V93 VanDerWaalsContact O-CG2 3.31Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.49Å |
| 90 | F | 69.7 | Low | 68.6 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 177.8 | -172.2 | -107.2 | 0 | 0 | 0 | 112 | I13 I86 T87 F92 V93 I94 | I13-F90 HydrophobicContact CD1-CD2 4.3Å; I13-F90 HydrophobicContact CD1-CE2 4.19Å; I86-F90 WeakPolarHBondContact O-CB 3.31Å; I86-F90 PolarHBondContact O-N 2.96Å; T87-F90 PolarHBondContact O-N 3.45Å; F90-F92 PolarHBondContact O-N 3.24Å; F90-V93 PolarHBondContact O-N 3.43Å; F90-I94 HydrophobicContact CD1-CD1 3.53Å; F90-I94 HydrophobicContact CD2-CD1 4.38Å; F90-I94 HydrophobicContact CE1-CD1 3.14Å; F90-I94 HydrophobicContact CE1-CG1 4.41Å; F90-I94 HydrophobicContact CE2-CD1 4.05Å; F90-I94 HydrophobicContact CG-CD1 4.15Å; F90-I94 HydrophobicContact CZ-CD1 3.44Å; F90-I94 VanDerWaalsContact CZ-CD1 3.44Å; F90-I94 HydrophobicContact CZ-CG1 4.49Å; F90-I94 WeakPolarHBondContact O-CG1 3.39Å; F90-I94 PolarHBondContact O-N 3.42Å |
| 91 | Y | 70.7 | Confident | 68.8 | Low | 168 Ų | 168 | 100.8 Ų | 100.8 | 66% | 0.659 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 176.4 | -171.2 | -96.6 | 0 | 0 | 0 | 111.6 | T87 T88 V89 V93 I94 S95 | T87-Y91 WeakPolarHBondContact O-CB 3.5Å; T87-Y91 PolarHBondContact O-N 3.19Å; T88-Y91 PolarHBondContact O-N 3.47Å; V89-Y91 PolarHBondContact O-N 2.99Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.85Å; Y91-I94 PolarHBondContact O-N 3.35Å; Y91-S95 WeakPolarHBondContact CE1-OG 3.43Å; Y91-S95 WeakPolarHBondContact O-CB 3.37Å; Y91-S95 PolarHBondContact O-N 3.03Å; Y91-S95 PolarHBondContact O-OG 3.3Å |
| 92 | F | 71 | Confident | 68.9 | Low | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.553 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -39 | 179.1 | -172.3 | -97.6 | 0 | 0 | 0 | 112.9 | T88 V89 F90 K96 | T88-F92 WeakPolarHBondContact O-CB 3.31Å; T88-F92 PolarHBondContact O-N 2.9Å; V89-F92 PolarHBondContact O-N 3.31Å; F90-F92 PolarHBondContact O-N 3.24Å; F92-K96 HydrophobicContact CE1-CD 4.11Å; F92-K96 HydrophobicContact CZ-CD 3.95Å; F92-K96 HydrophobicContact CZ-CG 4.49Å; F92-K96 PolarHBondContact O-N 3.26Å |
| 93 | V | 67.2 | Low | 68.8 | Low | 42 Ų | 42 | 94.6 Ų | 94.6 | 26% | 0.255 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | V89 F90 Y91 K96 S97 | V89-V93 HydrophobicContact CG1-CG2 4.49Å; V89-V93 VanDerWaalsContact O-CG2 3.31Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.49Å; F90-V93 PolarHBondContact O-N 3.43Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.85Å; V93-K96 PolarHBondContact O-N 3.29Å; V93-S97 PolarHBondContact O-N 3.01Å |
| 94 | I | 67 | Low | 68.8 | Low | 86 Ų | 86 | 96.7 Ų | 96.7 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 178.5 | -68.2 | 172 | 0 | 0 | 0 | 111.1 | F90 Y91 K96 S97 | F90-I94 HydrophobicContact CD1-CD1 3.53Å; F90-I94 HydrophobicContact CD2-CD1 4.38Å; F90-I94 HydrophobicContact CE1-CD1 3.14Å; F90-I94 HydrophobicContact CE1-CG1 4.41Å; F90-I94 HydrophobicContact CE2-CD1 4.05Å; F90-I94 HydrophobicContact CG-CD1 4.15Å; F90-I94 HydrophobicContact CZ-CD1 3.44Å; F90-I94 VanDerWaalsContact CZ-CD1 3.44Å; F90-I94 HydrophobicContact CZ-CG1 4.49Å; F90-I94 WeakPolarHBondContact O-CG1 3.39Å; F90-I94 PolarHBondContact O-N 3.42Å; Y91-I94 PolarHBondContact O-N 3.35Å; I94-K96 PolarHBondContact O-N 3.27Å; I94-S97 PolarHBondContact O-N 3.48Å |
| 95 | S | 67.6 | Low | 68.3 | Low | 70 Ų | 70 | 97.7 Ų | 97.7 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -17.7 | -179.1 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | Y91 | Y91-S95 WeakPolarHBondContact CE1-OG 3.43Å; Y91-S95 WeakPolarHBondContact O-CB 3.37Å; Y91-S95 PolarHBondContact O-N 3.03Å; Y91-S95 PolarHBondContact O-OG 3.3Å |
| 96 | K | 56.6 | Low | 67.6 | Low | 161 Ų | 161 | 99.8 Ų | 99.8 | 70% | 0.7 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2.8 | 177.2 | -77.5 | -146.4 | 173.7 | 179.5 | 0 | 114.5 | F92 V93 I94 | F92-K96 HydrophobicContact CE1-CD 4.11Å; F92-K96 HydrophobicContact CZ-CD 3.95Å; F92-K96 HydrophobicContact CZ-CG 4.49Å; F92-K96 PolarHBondContact O-N 3.26Å; V93-K96 PolarHBondContact O-N 3.29Å; I94-K96 PolarHBondContact O-N 3.27Å |
| 97 | S | 51.1 | Low | 67.1 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | trans | -102.9 | 0 | 177.7 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | V93 I94 | V93-S97 PolarHBondContact O-N 3.01Å; I94-S97 PolarHBondContact O-N 3.48Å |
Retrieved 97 of 97 residues in 16.1 ms
(Link to these results)