| 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 | 58.2 | Low | 87.4 | Confident | 204 Ų | 204 | 99.4 Ų | 99.4 | 100% | 1.005 | 49% | 0.485 | S | S | * | . | 0 | -42 | 0 | -70.3 | -66.5 | -167.1 | 0 | 0 | 113.8 | S3 | M1-S3 PolarHBondContact O-N 3.36Š| |||
| 2 | A | 74.1 | Confident | 88.1 | Confident | 66 Ų | 66 | 102 Ų | 102 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L5 K6 | A2-L5 PolarHBondContact O-N 3.42Å; A2-K6 PolarHBondContact O-N 3.47Å |
| 3 | S | 80.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 178.8 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | M1 L5 K6 V7 | M1-S3 PolarHBondContact O-N 3.36Å; S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.3Å; S3-K6 WeakPolarHBondContact O-CB 3.4Å; S3-K6 PolarHBondContact O-N 3.47Å; S3-K6 VanDerWaalsContact O-N 3.07Å; S3-V7 WeakPolarHBondContact O-CG2 3.13Å; S3-V7 PolarHBondContact O-N 3.42Å |
| 4 | R | 88.8 | Confident | 89.3 | Confident | 180 Ų | 180 | 90.1 Ų | 90.1 | 68% | 0.679 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -55.7 | -42.7 | 177.3 | -177.5 | -179.4 | 169.6 | 107.3 | -3.5 | 112.6 | V7 L8 | R4-V7 PolarHBondContact O-N 3.42Å; R4-L8 HydrophobicContact CG-CD1 4.26Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.07Å |
| 5 | L | 92.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 86.2 Ų | 86.2 | 53% | 0.534 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 177.7 | -73.2 | 168.5 | 0 | 0 | 0 | 111.7 | A2 S3 L8 R9 | A2-L5 PolarHBondContact O-N 3.42Å; S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 2.87Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.45Å |
| 6 | K | 93.1 | Very high | 90 | Very high | 119 Ų | 119 | 90.8 Ų | 90.8 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177 | -67.9 | 177.4 | -178.8 | -178.9 | 0 | 111.5 | A2 S3 L8 R9 V10 I56 | A2-K6 PolarHBondContact O-N 3.47Å; S3-K6 WeakPolarHBondContact O-CB 3.4Å; S3-K6 PolarHBondContact O-N 3.47Å; S3-K6 VanDerWaalsContact O-N 3.07Å; K6-L8 PolarHBondContact O-N 3.01Å; K6-R9 PolarHBondContact O-N 3.26Å; K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.11Å; K6-I56 HydrophobicContact CB-CD1 4.07Å |
| 7 | V | 93.9 | Very high | 90.3 | Very high | 44 Ų | 44 | 85.5 Ų | 85.5 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | S3 R4 R9 V10 F11 F40 I52 I56 | S3-V7 WeakPolarHBondContact O-CG2 3.13Å; S3-V7 PolarHBondContact O-N 3.42Å; R4-V7 PolarHBondContact O-N 3.42Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 3.33Å; V7-V10 PolarHBondContact O-N 3.32Å; V7-F11 WeakPolarHBondContact O-CB 3.38Å; V7-F11 PolarHBondContact O-N 3.3Å; V7-F40 HydrophobicContact CG1-CD1 4.19Å; V7-F40 HydrophobicContact CG1-CE1 3.96Å; V7-I52 HydrophobicContact CG2-CG2 4.3Å; V7-I56 HydrophobicContact CG2-CD1 3.64Å; V7-I56 HydrophobicContact CG2-CG1 3.8Å |
| 8 | L | 94.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 82.3 Ų | 82.3 | 38% | 0.382 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -32.1 | -179 | -68.9 | 175.9 | 0 | 0 | 0 | 113 | R4 L5 K6 K12 | R4-L8 HydrophobicContact CG-CD1 4.26Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.07Å; L5-L8 PolarHBondContact O-N 2.87Å; K6-L8 PolarHBondContact O-N 3.01Å; L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 VanDerWaalsContact O-CG 3.3Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.2Å |
| 9 | R | 95.2 | Very high | 90.6 | Very high | 178 Ų | 178 | 83.5 Ų | 83.5 | 67% | 0.672 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.1 | -49.6 | 174.1 | -76.7 | 175.5 | -171.8 | 179.9 | 2.4 | 111 | L5 K6 V7 K12 A13 | L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.45Å; K6-R9 PolarHBondContact O-N 3.26Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 3.33Å; R9-K12 PolarHBondContact O-N 3.4Å; R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 3.39Å |
| 10 | V | 95.9 | Very high | 90.6 | Very high | 20 Ų | 20 | 85.1 Ų | 85.1 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | K6 V7 K12 A13 L14 I56 A59 A60 | K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.11Å; V7-V10 PolarHBondContact O-N 3.32Å; V10-K12 VanDerWaalsContact C-N 3.35Å; V10-K12 PolarHBondContact O-N 3.3Å; V10-A13 PolarHBondContact O-N 3.13Å; V10-L14 HydrophobicContact CG1-CD1 4.23Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-I56 HydrophobicContact CG2-CG2 4.09Å; V10-A59 HydrophobicContact CG1-CB 3.48Å; V10-A59 VanDerWaalsContact CG1-CB 3.48Å; V10-A60 HydrophobicContact CG2-CB 4.35Å |
| 11 | F | 95.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 81.3 Ų | 81.3 | 23% | 0.228 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.4 | -178.5 | -101.7 | 0 | 0 | 0 | 112.4 | V7 H15 I36 N37 F40 | V7-F11 WeakPolarHBondContact O-CB 3.38Å; V7-F11 PolarHBondContact O-N 3.3Å; F11-H15 AromaticContact CE1-CD2 3.58Å; F11-H15 AromaticContact CE1-NE2 3.84Å; F11-H15 AromaticContact CE2-CD2 3.91Å; F11-H15 AromaticContact CE2-NE2 3.63Å; F11-H15 AromaticContact CZ-CD2 3.51Å; F11-H15 AromaticContact CZ-NE2 3.28Å; F11-H15 VanDerWaalsContact CZ-NE2 3.28Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.23Å; F11-H15 PolarHBondContact O-CD2 3.37Å; F11-H15 PolarHBondContact O-N 3.49Å; F11-I36 HydrophobicContact CD2-CG2 4.01Å; F11-I36 HydrophobicContact CE2-CG2 3.77Å; F11-N37 WeakPolarHBondContact CZ-OD1 3.46Å; F11-F40 HydrophobicContact CB-CD1 4.25Å; F11-F40 HydrophobicContact CB-CE1 3.74Å; F11-F40 HydrophobicContact CB-CZ 4.04Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.62Å; F11-F40 HydrophobicContact CD2-CD1 3.62Å; F11-F40 AromaticContact CD2-CD2 3.79Å; F11-F40 HydrophobicContact CD2-CD2 3.79Å; F11-F40 AromaticContact CD2-CE1 3.82Å; F11-F40 HydrophobicContact CD2-CE1 3.82Å; F11-F40 AromaticContact CD2-CE2 3.97Å; F11-F40 HydrophobicContact CD2-CE2 3.97Å; F11-F40 AromaticContact CD2-CG 3.59Å; F11-F40 HydrophobicContact CD2-CG 3.59Å; F11-F40 AromaticContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CE2-CB 4.19Å; F11-F40 HydrophobicContact CE2-CD1 4.43Å; F11-F40 HydrophobicContact CE2-CD2 4.25Å; F11-F40 HydrophobicContact CE2-CG 4.04Å; F11-F40 HydrophobicContact CG-CD1 4.32Å; F11-F40 HydrophobicContact CG-CE1 4.26Å |
| 12 | K | 96.3 | Very high | 92.1 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 175.5 | -75.1 | 178.9 | -179 | -175.5 | 0 | 111.9 | L8 R9 V10 H15 R16 | L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 VanDerWaalsContact O-CG 3.3Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.2Å; R9-K12 PolarHBondContact O-N 3.4Å; V10-K12 VanDerWaalsContact C-N 3.35Å; V10-K12 PolarHBondContact O-N 3.3Å; K12-H15 PolarHBondContact O-N 3.44Å; K12-R16 WeakPolarHBondContact O-CG 3.27Å; K12-R16 PolarHBondContact O-N 3.25Å |
| 13 | A | 95.8 | Very high | 92.9 | Very high | 29 Ų | 29 | 77 Ų | 77 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | R9 V10 H15 R16 T17 E63 | R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 3.39Å; V10-A13 PolarHBondContact O-N 3.13Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 3.37Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 3.07Å; A13-T17 PolarHBondContact O-N 2.92Å; A13-T17 PolarHBondContact O-OG1 3.16Å; A13-E63 HydrophobicContact CB-CG 3.88Å |
| 14 | L | 96.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 80.5 Ų | 80.5 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.4 | -41.4 | 176 | -78 | 168.8 | 0 | 0 | 0 | 112.8 | V10 T17 R18 I36 F40 A59 V62 E63 L66 | V10-L14 HydrophobicContact CG1-CD1 4.23Å; V10-L14 PolarHBondContact O-N 3.44Å; L14-T17 PolarHBondContact O-N 3.13Å; L14-R18 WeakPolarHBondContact O-CB 3.37Å; L14-R18 PolarHBondContact O-N 2.87Å; L14-I36 HydrophobicContact CB-CD1 4.2Å; L14-F40 HydrophobicContact CD1-CE2 3.85Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; L14-A59 HydrophobicContact CD1-CB 4.21Å; L14-V62 HydrophobicContact CD2-CG1 4.22Å; L14-E63 HydrophobicContact CD2-CB 3.82Å; L14-E63 HydrophobicContact CD2-CG 4.23Å; L14-E63 HydrophobicContact CG-CB 4.24Å; L14-E63 HydrophobicContact CG-CG 4.37Å; L14-L66 HydrophobicContact CD2-CD1 4.23Å |
| 15 | H | 95.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 74.8 Ų | 74.8 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 176.9 | -89.1 | -54.9 | 0 | 0 | 0 | 113.6 | F11 K12 A13 R18 M19 N37 | F11-H15 AromaticContact CE1-CD2 3.58Å; F11-H15 AromaticContact CE1-NE2 3.84Å; F11-H15 AromaticContact CE2-CD2 3.91Å; F11-H15 AromaticContact CE2-NE2 3.63Å; F11-H15 AromaticContact CZ-CD2 3.51Å; F11-H15 AromaticContact CZ-NE2 3.28Å; F11-H15 VanDerWaalsContact CZ-NE2 3.28Å; F11-H15 WeakPolarHBondContact CZ-NE2 3.23Å; F11-H15 PolarHBondContact O-CD2 3.37Å; F11-H15 PolarHBondContact O-N 3.49Å; K12-H15 PolarHBondContact O-N 3.44Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 3.37Å; H15-R18 PolarHBondContact ND1-NH1 3.41Å; H15-M19 WeakPolarHBondContact O-CG 3.45Å; H15-M19 PolarHBondContact O-N 3.03Å; H15-N37 PolarHBondContact NE2-OD1 3.35Å |
| 16 | R | 95 | Very high | 93.6 | Very high | 159 Ų | 159 | 75 Ų | 75 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -50.2 | 173 | -70.5 | 172.3 | 179 | -175.5 | -3.9 | 110.7 | K12 A13 R18 M19 E20 | K12-R16 WeakPolarHBondContact O-CG 3.27Å; K12-R16 PolarHBondContact O-N 3.25Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 3.07Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.43Å; R16-M19 HydrophobicContact CG-CE 4.35Å; R16-M19 WeakPolarHBondContact O-CB 3.44Å; R16-M19 PolarHBondContact O-N 3.31Å; R16-E20 PolarHBondContact O-N 3.44Å; R16-E20 VanDerWaalsContact O-N 3.12Å |
| 17 | T | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -38.3 | 179.8 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | A13 L14 M19 E20 L21 E63 L66 R67 | A13-T17 PolarHBondContact O-N 2.92Å; A13-T17 PolarHBondContact O-OG1 3.16Å; L14-T17 PolarHBondContact O-N 3.13Å; T17-M19 PolarHBondContact O-N 3.01Å; T17-E20 PolarHBondContact O-N 3.43Å; T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 3.07Å; T17-E63 PolarHBondContact OG1-OE1 2.85Å; T17-L66 HydrophobicContact CG2-CB 3.95Å; T17-R67 HydrophobicContact CG2-CB 4.39Å |
| 18 | R | 93.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 78.1 Ų | 78.1 | 11% | 0.106 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 172.8 | -172.5 | -152.7 | 80.4 | -146.2 | -0.9 | 113 | L14 H15 R16 E20 L21 F22 L29 A32 I36 | L14-R18 WeakPolarHBondContact O-CB 3.37Å; L14-R18 PolarHBondContact O-N 2.87Å; H15-R18 PolarHBondContact ND1-NH1 3.41Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.43Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-L21 PolarHBondContact O-N 2.92Å; R18-F22 HydrophobicContact CG-CD2 3.79Å; R18-F22 HydrophobicContact CG-CE2 4.27Å; R18-F22 PolarHBondContact O-N 3.31Å; R18-F22 VanDerWaalsContact O-N 3.1Å; R18-L29 WeakPolarHBondContact CD-O 3.19Å; R18-L29 HydrophobicContact CG-CD2 4.26Å; R18-L29 PolarHBondContact NE-O 2.76Å; R18-L29 WeakPolarHBondContact O-CD2 3.48Å; R18-A32 HydrophobicContact CG-CB 3.58Å; R18-I36 HydrophobicContact CB-CD1 4.48Å |
| 19 | M | 93 | Very high | 93.7 | Very high | 104 Ų | 104 | 76.3 Ų | 76.3 | 51% | 0.512 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | -178.5 | -70.2 | -174.7 | -59.2 | 0 | 0 | 111.6 | H15 R16 T17 | H15-M19 WeakPolarHBondContact O-CG 3.45Å; H15-M19 PolarHBondContact O-N 3.03Å; R16-M19 HydrophobicContact CG-CE 4.35Å; R16-M19 WeakPolarHBondContact O-CB 3.44Å; R16-M19 PolarHBondContact O-N 3.31Å; T17-M19 PolarHBondContact O-N 3.01Å |
| 20 | E | 90.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 71.8 Ų | 71.8 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73 | -38.3 | 175.6 | -68.6 | 168.2 | -164.2 | 0 | 0 | 112 | R16 T17 R18 | R16-E20 PolarHBondContact O-N 3.44Å; R16-E20 VanDerWaalsContact O-N 3.12Å; T17-E20 PolarHBondContact O-N 3.43Å; R18-E20 VanDerWaalsContact C-N 3.31Å |
| 21 | L | 89.9 | Confident | 93.8 | Very high | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68 | -46.3 | -177.9 | -96.3 | 179.5 | 0 | 0 | 0 | 114.8 | T17 R18 L66 V70 Q72 | T17-L21 HydrophobicContact CG2-CD1 4.26Å; T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 3.07Å; R18-L21 PolarHBondContact O-N 2.92Å; L21-L66 HydrophobicContact CD1-CB 3.65Å; L21-L66 HydrophobicContact CD1-CD1 4.27Å; L21-L66 HydrophobicContact CD1-CD2 3.76Å; L21-L66 HydrophobicContact CD1-CG 4.08Å; L21-L66 WeakPolarHBondContact CD1-O 3.28Å; L21-L66 WeakPolarHBondContact CD2-O 3.39Å; L21-V70 HydrophobicContact CD2-CB 3.97Å; L21-V70 HydrophobicContact CD2-CG1 3.85Å; L21-Q72 PolarHBondContact O-OE1 3.43Å |
| 22 | F | 91.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 23% | 0.232 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 42.2 | -170.3 | -59.4 | -66.8 | 0 | 0 | 0 | 109.9 | R18 E24 D25 A28 L29 A32 | R18-F22 HydrophobicContact CG-CD2 3.79Å; R18-F22 HydrophobicContact CG-CE2 4.27Å; R18-F22 PolarHBondContact O-N 3.31Å; R18-F22 VanDerWaalsContact O-N 3.1Å; F22-E24 PolarHBondContact O-N 3.38Å; F22-D25 HydrophobicContact CB-CB 4.39Å; F22-D25 PolarHBondContact O-N 3.5Å; F22-D25 VanDerWaalsContact O-N 3.11Å; F22-A28 HydrophobicContact CB-CB 3.96Å; F22-A28 HydrophobicContact CD1-CB 3.52Å; F22-A28 HydrophobicContact CD2-CB 4.44Å; F22-A28 HydrophobicContact CE1-CB 4.08Å; F22-A28 HydrophobicContact CG-CB 3.72Å; F22-L29 HydrophobicContact CB-CD2 3.88Å; F22-L29 HydrophobicContact CB-CG 3.93Å; F22-L29 WeakPolarHBondContact O-CD1 3.34Å; F22-L29 VanDerWaalsContact O-CG 3.23Å; F22-L29 WeakPolarHBondContact O-CG 3.33Å; F22-A32 HydrophobicContact CD2-CB 4.44Å; F22-A32 HydrophobicContact CE2-CB 4.13Å |
| 23 | K | 89.6 | Confident | 93.8 | Very high | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.8 | -177.1 | -171.1 | 178.5 | 174.4 | -172.4 | 0 | 108.8 | D25 Q72 | K23-D25 PolarHBondContact O-N 2.96Å; K23-Q72 PolarHBondContact O-NE2 3.39Å; K23-Q72 VanDerWaalsContact O-NE2 3.15Å; K23-Q72 PolarHBondContact O-OE1 2.92Å |
| 24 | E | 90.3 | Very high | 93.9 | Very high | 127 Ų | 127 | 80 Ų | 80 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -6 | -177.6 | -64.5 | 151 | -149.1 | 0 | 0 | 115.9 | F22 T26 R84 | F22-E24 PolarHBondContact O-N 3.38Å; E24-T26 PolarHBondContact O-N 2.99Å; E24-R84 IonicContact OE2-CZ 2.85Å; E24-R84 IonicContact OE2-NH1 2.71Å; E24-R84 PolarHBondContact OE2-NH1 3.17Å; E24-R84 IonicContact OE2-NH2 3.58Å |
| 25 | D | 92.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 84.9 Ų | 84.9 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | trans | -90.2 | 86.5 | 172.2 | -173.4 | -16.8 | 0 | 0 | 0 | 110.8 | F22 K23 R27 A28 L29 | F22-D25 HydrophobicContact CB-CB 4.39Å; F22-D25 PolarHBondContact O-N 3.5Å; F22-D25 VanDerWaalsContact O-N 3.11Å; K23-D25 PolarHBondContact O-N 2.96Å; D25-R27 PolarHBondContact O-N 3.11Å; D25-R27 PolarHBondContact OD1-N 3.07Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 PolarHBondContact O-N 2.72Å; D25-A28 PolarHBondContact OD1-N 2.92Å; D25-A28 WeakPolarHBondContact OD2-CB 3.45Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 3.23Å | ||
| 26 | T | 94.3 | Very high | 93.9 | Very high | 107 Ų | 107 | 84.5 Ų | 84.5 | 66% | 0.656 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.5 | -32.8 | -178.9 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | E24 T30 | E24-T26 PolarHBondContact O-N 2.99Å; T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.02Å; T26-T30 PolarHBondContact O-OG1 3.34Å |
| 27 | R | 94.1 | Very high | 94 | Very high | 208 Ų | 208 | 78.6 Ų | 78.6 | 79% | 0.785 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.2 | -50.3 | 179.8 | -177.5 | -178.8 | 173 | -164.5 | -2.1 | 110.1 | D25 T30 A31 | D25-R27 PolarHBondContact O-N 3.11Å; D25-R27 PolarHBondContact OD1-N 3.07Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; R27-T30 PolarHBondContact O-N 3.34Å; R27-A31 WeakPolarHBondContact O-CB 3.24Å; R27-A31 PolarHBondContact O-N 3.33Å |
| 28 | A | 93.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 82.3 Ų | 82.3 | 17% | 0.165 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F22 D25 T30 A31 A32 | F22-A28 HydrophobicContact CB-CB 3.96Å; F22-A28 HydrophobicContact CD1-CB 3.52Å; F22-A28 HydrophobicContact CD2-CB 4.44Å; F22-A28 HydrophobicContact CE1-CB 4.08Å; F22-A28 HydrophobicContact CG-CB 3.72Å; D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 PolarHBondContact O-N 2.72Å; D25-A28 PolarHBondContact OD1-N 2.92Å; D25-A28 WeakPolarHBondContact OD2-CB 3.45Å; A28-T30 VanDerWaalsContact C-N 3.29Å; A28-T30 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 3.28Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.44Å; A28-A32 PolarHBondContact O-N 2.97Å |
| 29 | L | 95.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 84 Ų | 84 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 174.5 | -74.3 | 169.8 | 0 | 0 | 0 | 111.9 | R18 F22 D25 R33 | R18-L29 WeakPolarHBondContact CD-O 3.19Å; R18-L29 HydrophobicContact CG-CD2 4.26Å; R18-L29 PolarHBondContact NE-O 2.76Å; R18-L29 WeakPolarHBondContact O-CD2 3.48Å; F22-L29 HydrophobicContact CB-CD2 3.88Å; F22-L29 HydrophobicContact CB-CG 3.93Å; F22-L29 WeakPolarHBondContact O-CD1 3.34Å; F22-L29 VanDerWaalsContact O-CG 3.23Å; F22-L29 WeakPolarHBondContact O-CG 3.33Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 WeakPolarHBondContact O-CG 3.42Å; D25-L29 PolarHBondContact O-N 3.23Å; L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.04Å |
| 30 | T | 96.6 | Very high | 94.3 | Very high | 82 Ų | 82 | 81.7 Ų | 81.7 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.3 | -44.4 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | T26 R27 A28 R33 R34 | T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.02Å; T26-T30 PolarHBondContact O-OG1 3.34Å; R27-T30 PolarHBondContact O-N 3.34Å; A28-T30 VanDerWaalsContact C-N 3.29Å; A28-T30 PolarHBondContact O-N 2.92Å; T30-R33 WeakPolarHBondContact O-CB 3.42Å; T30-R33 PolarHBondContact O-N 2.95Å; T30-R34 WeakPolarHBondContact O-CG 3.11Å; T30-R34 PolarHBondContact O-N 3.32Å |
| 31 | A | 96.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 85 Ų | 85 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R27 A28 R33 R34 K35 | R27-A31 WeakPolarHBondContact O-CB 3.24Å; R27-A31 PolarHBondContact O-N 3.33Å; A28-A31 PolarHBondContact O-N 3.28Å; A31-R33 PolarHBondContact O-N 2.96Å; A31-R34 PolarHBondContact O-N 3.46Å; A31-K35 PolarHBondContact O-N 3.47Å |
| 32 | A | 95.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 90.1 Ų | 90.1 | 20% | 0.198 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R18 F22 A28 R34 K35 I36 | R18-A32 HydrophobicContact CG-CB 3.58Å; F22-A32 HydrophobicContact CD2-CB 4.44Å; F22-A32 HydrophobicContact CE2-CB 4.13Å; A28-A32 VanDerWaalsContact O-CB 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.44Å; A28-A32 PolarHBondContact O-N 2.97Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å; A32-K35 PolarHBondContact O-N 2.99Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.4Å |
| 33 | R | 96.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 90.6 Ų | 90.6 | 56% | 0.562 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.4 | -47.7 | 171.3 | -173.1 | 176.7 | -179.9 | 169.1 | -1.5 | 111.6 | L29 T30 A31 N37 | L29-R33 VanDerWaalsContact O-CB 3.24Å; L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.04Å; T30-R33 WeakPolarHBondContact O-CB 3.42Å; T30-R33 PolarHBondContact O-N 2.95Å; A31-R33 PolarHBondContact O-N 2.96Å; R33-N37 WeakPolarHBondContact O-CB 3.34Å; R33-N37 PolarHBondContact O-N 3.49Å; R33-N37 VanDerWaalsContact O-N 3.13Å; R33-N37 PolarHBondContact O-ND2 2.87Å |
| 34 | R | 97.4 | Very high | 94.8 | Very high | 175 Ų | 175 | 92.4 Ų | 92.4 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 179.8 | -76.4 | -177 | 65.2 | -144.9 | -2.9 | 110.6 | T30 A31 A32 N37 E38 | T30-R34 WeakPolarHBondContact O-CG 3.11Å; T30-R34 PolarHBondContact O-N 3.32Å; A31-R34 PolarHBondContact O-N 3.46Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å; R34-N37 PolarHBondContact O-N 3.09Å; R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.01Å |
| 35 | K | 96.7 | Very high | 94.8 | Very high | 111 Ų | 111 | 92.9 Ų | 92.9 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | -178 | -169.8 | 57 | 168.6 | 168 | 0 | 112.5 | A31 A32 N37 E38 E39 | A31-K35 PolarHBondContact O-N 3.47Å; A32-K35 PolarHBondContact O-N 2.99Å; K35-N37 PolarHBondContact O-N 3.23Å; K35-E38 PolarHBondContact O-N 3.02Å; K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 IonicContact NZ-OE1 2.92Å; K35-E39 PolarHBondContact NZ-OE1 3.05Å; K35-E39 WeakPolarHBondContact O-CG 3.24Å; K35-E39 PolarHBondContact O-N 3.21Å |
| 36 | I | 96 | Very high | 94.7 | Very high | 24 Ų | 24 | 93.2 Ų | 93.2 | 12% | 0.123 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 175.5 | -66.9 | 164.1 | 0 | 0 | 0 | 110.3 | F11 L14 R18 A32 E38 E39 F40 | F11-I36 HydrophobicContact CD2-CG2 4.01Å; F11-I36 HydrophobicContact CE2-CG2 3.77Å; L14-I36 HydrophobicContact CB-CD1 4.2Å; R18-I36 HydrophobicContact CB-CD1 4.48Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.4Å; I36-E38 VanDerWaalsContact C-N 3.33Å; I36-E38 PolarHBondContact O-N 3.24Å; I36-E39 PolarHBondContact O-N 2.95Å; I36-F40 HydrophobicContact CG2-CD2 4.09Å; I36-F40 HydrophobicContact CG2-CE2 4.19Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.44Å; I36-F40 PolarHBondContact O-N 2.91Å; I36-F40 VanDerWaalsContact O-N 3.13Å |
| 37 | N | 96.5 | Very high | 94.5 | Very high | 34 Ų | 34 | 94.4 Ų | 94.4 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | -179.5 | -75.7 | -24.3 | 0 | 0 | 0 | 113.1 | F11 H15 R33 R34 K35 R41 | F11-N37 WeakPolarHBondContact CZ-OD1 3.46Å; H15-N37 PolarHBondContact NE2-OD1 3.35Å; R33-N37 WeakPolarHBondContact O-CB 3.34Å; R33-N37 PolarHBondContact O-N 3.49Å; R33-N37 VanDerWaalsContact O-N 3.13Å; R33-N37 PolarHBondContact O-ND2 2.87Å; R34-N37 PolarHBondContact O-N 3.09Å; K35-N37 PolarHBondContact O-N 3.23Å; N37-R41 VanDerWaalsContact O-CB 3.27Å; N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 WeakPolarHBondContact O-CD 3.36Å; N37-R41 WeakPolarHBondContact O-CG 3.3Å; N37-R41 PolarHBondContact O-N 3.36Å |
| 38 | E | 96.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 86.1 Ų | 86.1 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.9 | -50.8 | 179 | -172.6 | -171.5 | 156.2 | 0 | 0 | 111.2 | R34 K35 I36 F40 R41 K42 | R34-E38 WeakPolarHBondContact O-CB 3.39Å; R34-E38 PolarHBondContact O-N 3.01Å; K35-E38 PolarHBondContact O-N 3.02Å; I36-E38 VanDerWaalsContact C-N 3.33Å; I36-E38 PolarHBondContact O-N 3.24Å; E38-F40 PolarHBondContact O-N 2.88Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.2Å; E38-K42 PolarHBondContact O-N 3.18Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 3.55Å; E38-K42 PolarHBondContact OE1-NZ 3.35Å |
| 39 | E | 95 | Very high | 94.2 | Very high | 63 Ų | 63 | 92.8 Ų | 92.8 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | -178.6 | -63.6 | -52.9 | 139.4 | 0 | 0 | 112.3 | K35 I36 R41 K42 N43 | K35-E39 HydrophobicContact CD-CG 4.26Å; K35-E39 IonicContact NZ-OE1 2.92Å; K35-E39 PolarHBondContact NZ-OE1 3.05Å; K35-E39 WeakPolarHBondContact O-CG 3.24Å; K35-E39 PolarHBondContact O-N 3.21Å; I36-E39 PolarHBondContact O-N 2.95Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-K42 IonicContact OE1-NZ 3.95Å; E39-K42 PolarHBondContact OE1-NZ 2.92Å; E39-K42 IonicContact OE2-NZ 2.72Å; E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.48Å |
| 40 | F | 94.9 | Very high | 94 | Very high | 56 Ų | 56 | 98.1 Ų | 98.1 | 25% | 0.246 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -71.4 | -28.7 | 174.8 | -83.3 | -102.5 | 0 | 0 | 0 | 113 | V7 F11 L14 I36 E38 K44 A59 | V7-F40 HydrophobicContact CG1-CD1 4.19Å; V7-F40 HydrophobicContact CG1-CE1 3.96Å; F11-F40 HydrophobicContact CB-CD1 4.25Å; F11-F40 HydrophobicContact CB-CE1 3.74Å; F11-F40 HydrophobicContact CB-CZ 4.04Å; F11-F40 HydrophobicContact CD2-CB 4.2Å; F11-F40 AromaticContact CD2-CD1 3.62Å; F11-F40 HydrophobicContact CD2-CD1 3.62Å; F11-F40 AromaticContact CD2-CD2 3.79Å; F11-F40 HydrophobicContact CD2-CD2 3.79Å; F11-F40 AromaticContact CD2-CE1 3.82Å; F11-F40 HydrophobicContact CD2-CE1 3.82Å; F11-F40 AromaticContact CD2-CE2 3.97Å; F11-F40 HydrophobicContact CD2-CE2 3.97Å; F11-F40 AromaticContact CD2-CG 3.59Å; F11-F40 HydrophobicContact CD2-CG 3.59Å; F11-F40 AromaticContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CD2-CZ 3.98Å; F11-F40 HydrophobicContact CE2-CB 4.19Å; F11-F40 HydrophobicContact CE2-CD1 4.43Å; F11-F40 HydrophobicContact CE2-CD2 4.25Å; F11-F40 HydrophobicContact CE2-CG 4.04Å; F11-F40 HydrophobicContact CG-CD1 4.32Å; F11-F40 HydrophobicContact CG-CE1 4.26Å; L14-F40 HydrophobicContact CD1-CE2 3.85Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; I36-F40 HydrophobicContact CG2-CD2 4.09Å; I36-F40 HydrophobicContact CG2-CE2 4.19Å; I36-F40 VanDerWaalsContact O-CD2 3.24Å; I36-F40 WeakPolarHBondContact O-CD2 3.44Å; I36-F40 PolarHBondContact O-N 2.91Å; I36-F40 VanDerWaalsContact O-N 3.13Å; E38-F40 PolarHBondContact O-N 2.88Å; F40-K44 PolarHBondContact O-N 2.97Å; F40-A59 HydrophobicContact CZ-CB 4.38Å |
| 41 | R | 95.4 | Very high | 93.8 | Very high | 184 Ų | 184 | 97.2 Ų | 97.2 | 69% | 0.694 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.6 | -40.9 | 174.7 | -78.8 | 171.1 | -177.3 | 173.2 | -1.3 | 112.1 | N37 E38 E39 N43 K44 | N37-R41 VanDerWaalsContact O-CB 3.27Å; N37-R41 WeakPolarHBondContact O-CB 3.36Å; N37-R41 WeakPolarHBondContact O-CD 3.36Å; N37-R41 WeakPolarHBondContact O-CG 3.3Å; N37-R41 PolarHBondContact O-N 3.36Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E39-R41 VanDerWaalsContact C-N 3.34Å; R41-N43 PolarHBondContact O-N 3.4Å; R41-K44 VanDerWaalsContact O-CB 3.27Å; R41-K44 WeakPolarHBondContact O-CB 3.43Å; R41-K44 PolarHBondContact O-N 3.44Å |
| 42 | K | 95 | Very high | 93.6 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -54.2 | -41.6 | 175.7 | -75.9 | 172.8 | -178 | 164.3 | 0 | 111.3 | E38 E39 | E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.2Å; E38-K42 PolarHBondContact O-N 3.18Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 3.55Å; E38-K42 PolarHBondContact OE1-NZ 3.35Å; E39-K42 IonicContact OE1-NZ 3.95Å; E39-K42 PolarHBondContact OE1-NZ 2.92Å; E39-K42 IonicContact OE2-NZ 2.72Å |
| 43 | N | 92.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 97.9 Ų | 97.9 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 14.2 | -175.5 | -57.8 | -50.7 | 0 | 0 | 0 | 114 | E39 R41 N45 E46 M55 | E39-N43 PolarHBondContact O-N 3.41Å; E39-N43 PolarHBondContact O-ND2 3.48Å; R41-N43 PolarHBondContact O-N 3.4Å; N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.41Å; N43-E46 PolarHBondContact O-N 3.42Å; N43-M55 HydrophobicContact CB-CE 3.99Å; N43-M55 HydrophobicContact CB-SD 3.71Å; N43-M55 WeakPolarHBondContact OD1-CE 3.39Å |
| 44 | K | 89.9 | Confident | 93.4 | Very high | 164 Ų | 164 | 97 Ų | 97 | 71% | 0.713 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.4 | -175.1 | -177 | -175.6 | 174.7 | -167.2 | 0 | 113.3 | F40 R41 | F40-K44 PolarHBondContact O-N 2.97Å; R41-K44 VanDerWaalsContact O-CB 3.27Å; R41-K44 WeakPolarHBondContact O-CB 3.43Å; R41-K44 PolarHBondContact O-N 3.44Å |
| 45 | N | 90.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 91.8 Ų | 91.8 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 11.4 | -173.4 | -58.1 | -26.8 | 0 | 0 | 0 | 112.8 | N43 T47 | N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.41Å; N45-T47 PolarHBondContact O-N 2.89Å |
| 46 | E | 90.4 | Very high | 93.1 | Very high | 67 Ų | 67 | 88 Ų | 88 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | trans | -64.7 | 129.4 | 176.2 | -175.7 | 58 | -134.1 | 0 | 0 | 110 | N43 S48 N51 I52 | N43-E46 PolarHBondContact O-N 3.42Å; E46-S48 VanDerWaalsContact OE1-CB 3.29Å; E46-S48 WeakPolarHBondContact OE1-CB 3.41Å; E46-S48 PolarHBondContact OE1-N 3.23Å; E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 PolarHBondContact OE1-ND2 3.06Å; E46-I52 HydrophobicContact CB-CG1 4.43Å; E46-I52 HydrophobicContact CG-CG1 4.09Å | ||
| 47 | T | 88.9 | Confident | 93.1 | Very high | 132 Ų | 132 | 94 Ų | 94 | 81% | 0.81 | 46% | 0.455 | S | S | * | . | trans | -107.2 | -17 | -177.4 | 41.3 | 0 | 0 | 0 | 0 | 113.4 | N45 E49 | N45-T47 PolarHBondContact O-N 2.89Å; T47-E49 PolarHBondContact O-N 2.96Å | ||
| 48 | S | 92 | Very high | 93.1 | Very high | 34 Ų | 34 | 98.5 Ų | 98.5 | 24% | 0.238 | 48% | 0.476 | C | S | . | . | trans | -74.6 | 120.9 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | E46 E50 N51 I52 | E46-S48 VanDerWaalsContact OE1-CB 3.29Å; E46-S48 WeakPolarHBondContact OE1-CB 3.41Å; E46-S48 PolarHBondContact OE1-N 3.23Å; S48-E50 VanDerWaalsContact C-N 3.27Å; S48-E50 PolarHBondContact O-N 2.89Å; S48-N51 WeakPolarHBondContact CB-ND2 3.43Å; S48-N51 PolarHBondContact O-N 2.76Å; S48-N51 PolarHBondContact OG-N 3.34Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.17Å; S48-I52 PolarHBondContact O-N 2.87Å | ||
| 49 | E | 89.6 | Confident | 93 | Very high | 159 Ų | 159 | 95.3 Ų | 95.3 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | 178.5 | -64.6 | -159.8 | 153.4 | 0 | 0 | 112.7 | T47 I52 S53 | T47-E49 PolarHBondContact O-N 2.96Å; E49-I52 PolarHBondContact O-N 2.86Å; E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.15Å |
| 50 | E | 91.8 | Very high | 93 | Very high | 148 Ų | 148 | 94 Ų | 94 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 178.2 | -69.1 | 154.6 | -176.2 | 0 | 0 | 110.8 | S48 S53 Q54 | S48-E50 VanDerWaalsContact C-N 3.27Å; S48-E50 PolarHBondContact O-N 2.89Å; E50-S53 WeakPolarHBondContact O-CB 3.21Å; E50-S53 PolarHBondContact O-N 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3.01Å |
| 51 | N | 92.7 | Very high | 93 | Very high | 64 Ų | 64 | 93.3 Ų | 93.3 | 34% | 0.342 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.5 | -70.4 | -16.2 | 0 | 0 | 0 | 111.1 | E46 S48 S53 Q54 M55 | E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 PolarHBondContact OE1-ND2 3.06Å; S48-N51 WeakPolarHBondContact CB-ND2 3.43Å; S48-N51 PolarHBondContact O-N 2.76Å; S48-N51 PolarHBondContact OG-N 3.34Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 3.25Å; N51-Q54 PolarHBondContact O-N 3.26Å; N51-M55 WeakPolarHBondContact O-CB 3.37Å; N51-M55 WeakPolarHBondContact O-CG 3.23Å; N51-M55 PolarHBondContact O-N 2.88Å |
| 52 | I | 92.1 | Very high | 93 | Very high | 40 Ų | 40 | 87.8 Ų | 87.8 | 21% | 0.205 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.6 | -67.8 | 164.2 | 0 | 0 | 0 | 110.4 | V7 E46 S48 E49 M55 I56 | V7-I52 HydrophobicContact CG2-CG2 4.3Å; E46-I52 HydrophobicContact CB-CG1 4.43Å; E46-I52 HydrophobicContact CG-CG1 4.09Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.17Å; S48-I52 PolarHBondContact O-N 2.87Å; E49-I52 PolarHBondContact O-N 2.86Å; I52-M55 PolarHBondContact O-N 3.1Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.45Å; I52-I56 WeakPolarHBondContact O-CD1 3.48Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 3.41Å |
| 53 | S | 92.8 | Very high | 93 | Very high | 55 Ų | 55 | 83.1 Ų | 83.1 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178 | -174 | 0 | 0 | 0 | 0 | 112.1 | E49 E50 N51 I56 K57 | E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.15Å; E50-S53 WeakPolarHBondContact O-CB 3.21Å; E50-S53 PolarHBondContact O-N 3.31Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 3.25Å; S53-I56 PolarHBondContact O-N 3.12Å; S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.11Å |
| 54 | Q | 93.9 | Very high | 93 | Very high | 129 Ų | 129 | 82.9 Ų | 82.9 | 60% | 0.603 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 176.6 | -71.1 | -179.9 | 4.5 | 0 | 0 | 111.9 | E50 N51 I56 K57 M58 | E50-Q54 WeakPolarHBondContact O-CG 3.3Å; E50-Q54 PolarHBondContact O-N 3.01Å; N51-Q54 PolarHBondContact O-N 3.26Å; Q54-I56 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 3.38Å; Q54-M58 WeakPolarHBondContact O-CB 3.4Å; Q54-M58 PolarHBondContact O-N 3.34Å |
| 55 | M | 94.3 | Very high | 93.2 | Very high | 66 Ų | 66 | 80.4 Ų | 80.4 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177 | -74.5 | -174.3 | 157.3 | 0 | 0 | 112.7 | N43 N51 I52 M58 A59 | N43-M55 HydrophobicContact CB-CE 3.99Å; N43-M55 HydrophobicContact CB-SD 3.71Å; N43-M55 WeakPolarHBondContact OD1-CE 3.39Å; N51-M55 WeakPolarHBondContact O-CB 3.37Å; N51-M55 WeakPolarHBondContact O-CG 3.23Å; N51-M55 PolarHBondContact O-N 2.88Å; I52-M55 PolarHBondContact O-N 3.1Å; M55-M58 PolarHBondContact O-N 3.42Å; M55-A59 VanDerWaalsContact O-CB 3.3Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.87Å |
| 56 | I | 94.5 | Very high | 93.3 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 16% | 0.159 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 174.9 | -69.9 | 165 | 0 | 0 | 0 | 110.5 | K6 V7 V10 I52 S53 Q54 A59 A60 | K6-I56 HydrophobicContact CB-CD1 4.07Å; V7-I56 HydrophobicContact CG2-CD1 3.64Å; V7-I56 HydrophobicContact CG2-CG1 3.8Å; V10-I56 HydrophobicContact CG2-CG2 4.09Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.45Å; I52-I56 WeakPolarHBondContact O-CD1 3.48Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 3.41Å; S53-I56 PolarHBondContact O-N 3.12Å; Q54-I56 PolarHBondContact O-N 3.49Å; I56-A59 PolarHBondContact O-N 2.95Å; I56-A60 WeakPolarHBondContact O-CB 3.41Å; I56-A60 PolarHBondContact O-N 3.24Å |
| 57 | K | 95.7 | Very high | 93.3 | Very high | 151 Ų | 151 | 76.8 Ų | 76.8 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 177.8 | -72.2 | 175.6 | -177.3 | -179.4 | 0 | 111.4 | S53 Q54 A60 G61 | S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.11Å; Q54-K57 PolarHBondContact O-N 3.38Å; K57-A60 PolarHBondContact O-N 3.11Å; K57-G61 PolarHBondContact O-N 3.36Å |
| 58 | M | 95.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 75.9 Ų | 75.9 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.3 | -49.5 | 176.7 | -175 | -176 | 74.6 | 0 | 0 | 111.1 | Q54 M55 A60 G61 V62 | Q54-M58 WeakPolarHBondContact O-CB 3.4Å; Q54-M58 PolarHBondContact O-N 3.34Å; M55-M58 PolarHBondContact O-N 3.42Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 2.89Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.11Å; M58-V62 WeakPolarHBondContact O-CG2 3.37Å; M58-V62 PolarHBondContact O-N 3.04Å |
| 59 | A | 95 | Very high | 93.3 | Very high | 13 Ų | 13 | 79.2 Ų | 79.2 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V10 L14 F40 M55 I56 E63 | V10-A59 HydrophobicContact CG1-CB 3.48Å; V10-A59 VanDerWaalsContact CG1-CB 3.48Å; L14-A59 HydrophobicContact CD1-CB 4.21Å; F40-A59 HydrophobicContact CZ-CB 4.38Å; M55-A59 VanDerWaalsContact O-CB 3.3Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.87Å; I56-A59 PolarHBondContact O-N 2.95Å; A59-E63 WeakPolarHBondContact O-CB 3.48Å; A59-E63 PolarHBondContact O-N 2.56Å |
| 60 | A | 95.5 | Very high | 93.3 | Very high | 37 Ų | 37 | 73.6 Ų | 73.6 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V10 I56 K57 M58 E63 V64 | V10-A60 HydrophobicContact CG2-CB 4.35Å; I56-A60 WeakPolarHBondContact O-CB 3.41Å; I56-A60 PolarHBondContact O-N 3.24Å; K57-A60 PolarHBondContact O-N 3.11Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 2.89Å; A60-E63 WeakPolarHBondContact O-CB 3.34Å; A60-E63 PolarHBondContact O-N 2.73Å; A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.39Å; A60-V64 VanDerWaalsContact O-N 3.15Å |
| 61 | G | 95.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K57 M58 E63 V64 F65 | K57-G61 PolarHBondContact O-N 3.36Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.11Å; G61-E63 VanDerWaalsContact C-N 3.27Å; G61-E63 PolarHBondContact O-N 3.12Å; G61-V64 PolarHBondContact O-N 2.88Å; G61-F65 WeakPolarHBondContact O-CB 3.24Å; G61-F65 PolarHBondContact O-N 3.31Å |
| 62 | V | 95.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L14 M58 V64 F65 L66 | L14-V62 HydrophobicContact CD2-CG1 4.22Å; M58-V62 WeakPolarHBondContact O-CG2 3.37Å; M58-V62 PolarHBondContact O-N 3.04Å; V62-V64 PolarHBondContact O-N 3.21Å; V62-F65 PolarHBondContact O-N 3.23Å; V62-L66 HydrophobicContact CG1-CD1 4.06Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 VanDerWaalsContact O-CB 3.28Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.7Å |
| 63 | E | 94.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 9% | 0.089 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.4 | -167.6 | -73.3 | 141 | 0 | 0 | 112.1 | A13 L14 T17 A59 A60 G61 R67 | A13-E63 HydrophobicContact CB-CG 3.88Å; L14-E63 HydrophobicContact CD2-CB 3.82Å; L14-E63 HydrophobicContact CD2-CG 4.23Å; L14-E63 HydrophobicContact CG-CB 4.24Å; L14-E63 HydrophobicContact CG-CG 4.37Å; T17-E63 PolarHBondContact OG1-OE1 2.85Å; A59-E63 WeakPolarHBondContact O-CB 3.48Å; A59-E63 PolarHBondContact O-N 2.56Å; A60-E63 WeakPolarHBondContact O-CB 3.34Å; A60-E63 PolarHBondContact O-N 2.73Å; G61-E63 VanDerWaalsContact C-N 3.27Å; G61-E63 PolarHBondContact O-N 3.12Å; E63-R67 VanDerWaalsContact CD-NH1 3.35Å; E63-R67 PolarHBondContact O-N 2.7Å; E63-R67 IonicContact OE1-CZ 2.76Å; E63-R67 IonicContact OE1-NH1 2.7Å; E63-R67 PolarHBondContact OE1-NH1 3.15Å; E63-R67 VanDerWaalsContact OE1-NH1 3.12Å; E63-R67 IonicContact OE1-NH2 3.6Å; E63-R67 PolarHBondContact OE1-NH2 2.94Å; E63-R67 IonicContact OE2-CZ 3.03Å; E63-R67 IonicContact OE2-NH1 3.58Å; E63-R67 PolarHBondContact OE2-NH1 3.2Å; E63-R67 IonicContact OE2-NH2 2.56Å |
| 64 | V | 93.4 | Very high | 93 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 35% | 0.345 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | A60 G61 V62 L66 R67 Q68 | A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.39Å; A60-V64 VanDerWaalsContact O-N 3.15Å; G61-V64 PolarHBondContact O-N 2.88Å; V62-V64 PolarHBondContact O-N 3.21Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.25Å; V64-R67 WeakPolarHBondContact O-CA 3.41Å; V64-R67 WeakPolarHBondContact O-CB 3.44Å; V64-R67 PolarHBondContact O-N 2.92Å; V64-Q68 HydrophobicContact CG1-CG 4.27Å; V64-Q68 VanDerWaalsContact CG1-OE1 3.24Å; V64-Q68 PolarHBondContact O-N 2.71Å |
| 65 | F | 93.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.2 | -48.3 | 176.1 | 175.2 | -95.9 | 0 | 0 | 0 | 111.4 | G61 V62 R67 Q68 D69 V70 | G61-F65 WeakPolarHBondContact O-CB 3.24Å; G61-F65 PolarHBondContact O-N 3.31Å; V62-F65 PolarHBondContact O-N 3.23Å; F65-R67 PolarHBondContact O-N 2.76Å; F65-Q68 PolarHBondContact O-N 3.15Å; F65-D69 HydrophobicContact CD2-CB 3.99Å; F65-D69 WeakPolarHBondContact CD2-OD2 3.48Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.25Å; F65-D69 PolarHBondContact O-N 3.22Å; F65-V70 HydrophobicContact CE1-CG2 4.09Å |
| 66 | L | 92.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 71.7 Ų | 71.7 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -28.3 | 175.7 | -78.2 | -177.7 | 0 | 0 | 0 | 112.6 | L14 T17 L21 V62 V64 V70 R86 | L14-L66 HydrophobicContact CD2-CD1 4.23Å; T17-L66 HydrophobicContact CG2-CB 3.95Å; L21-L66 HydrophobicContact CD1-CB 3.65Å; L21-L66 HydrophobicContact CD1-CD1 4.27Å; L21-L66 HydrophobicContact CD1-CD2 3.76Å; L21-L66 HydrophobicContact CD1-CG 4.08Å; L21-L66 WeakPolarHBondContact CD1-O 3.28Å; L21-L66 WeakPolarHBondContact CD2-O 3.39Å; V62-L66 HydrophobicContact CG1-CD1 4.06Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 VanDerWaalsContact O-CB 3.28Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.7Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.25Å; L66-V70 HydrophobicContact CD2-CG2 4.13Å; L66-R86 PolarHBondContact O-NH1 2.92Å; L66-R86 PolarHBondContact O-NH2 3.12Å |
| 67 | R | 90.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -81.7 | -35.3 | 177.7 | -172 | -174.2 | -73.5 | 115 | -4.3 | 112.9 | T17 E63 V64 F65 R86 | T17-R67 HydrophobicContact CG2-CB 4.39Å; E63-R67 VanDerWaalsContact CD-NH1 3.35Å; E63-R67 PolarHBondContact O-N 2.7Å; E63-R67 IonicContact OE1-CZ 2.76Å; E63-R67 IonicContact OE1-NH1 2.7Å; E63-R67 PolarHBondContact OE1-NH1 3.15Å; E63-R67 VanDerWaalsContact OE1-NH1 3.12Å; E63-R67 IonicContact OE1-NH2 3.6Å; E63-R67 PolarHBondContact OE1-NH2 2.94Å; E63-R67 IonicContact OE2-CZ 3.03Å; E63-R67 IonicContact OE2-NH1 3.58Å; E63-R67 PolarHBondContact OE2-NH1 3.2Å; E63-R67 IonicContact OE2-NH2 2.56Å; V64-R67 WeakPolarHBondContact O-CA 3.41Å; V64-R67 WeakPolarHBondContact O-CB 3.44Å; V64-R67 PolarHBondContact O-N 2.92Å; F65-R67 PolarHBondContact O-N 2.76Å; R67-R86 VanDerWaalsContact C-NH2 3.31Å; R67-R86 PolarHBondContact O-NE 3.26Å; R67-R86 PolarHBondContact O-NH2 2.93Å |
| 68 | Q | 90.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 73.5 Ų | 73.5 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -94.7 | -42.5 | -170.4 | -69.4 | -177.6 | -36 | 0 | 0 | 113.1 | V64 F65 L89 | V64-Q68 HydrophobicContact CG1-CG 4.27Å; V64-Q68 VanDerWaalsContact CG1-OE1 3.24Å; V64-Q68 PolarHBondContact O-N 2.71Å; F65-Q68 PolarHBondContact O-N 3.15Å; Q68-L89 VanDerWaalsContact O-CD2 3.31Å; Q68-L89 WeakPolarHBondContact O-CD2 3.35Å |
| 69 | D | 89.9 | Confident | 92.2 | Very high | 104 Ų | 104 | 75 Ų | 75 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -8 | -161.8 | -56.9 | -52.1 | 0 | 0 | 0 | 113.7 | F65 | F65-D69 HydrophobicContact CD2-CB 3.99Å; F65-D69 WeakPolarHBondContact CD2-OD2 3.48Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.25Å; F65-D69 PolarHBondContact O-N 3.22Å |
| 70 | V | 90.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 83.2 Ų | 83.2 | 24% | 0.242 | 44% | 0.441 | C | S | . | . | trans | -109.5 | 128.8 | -176.5 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | L21 F65 L66 R86 | L21-V70 HydrophobicContact CD2-CB 3.97Å; L21-V70 HydrophobicContact CD2-CG1 3.85Å; F65-V70 HydrophobicContact CE1-CG2 4.09Å; L66-V70 HydrophobicContact CD2-CG2 4.13Å; V70-R86 PolarHBondContact O-NH2 3.06Å | ||
| 71 | V | 90.8 | Very high | 92 | Very high | 67 Ų | 67 | 86.8 Ų | 86.8 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | trans | -127.5 | 138.8 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | P85 L89 | V71-P85 HydrophobicContact CG1-CB 4.22Å; V71-L89 HydrophobicContact CG2-CD1 3.94Å | ||
| 72 | Q | 90.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 89.5 Ų | 89.5 | 15% | 0.154 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 134.3 | 177 | -175.7 | 178.2 | 0.1 | 0 | 0 | 110.1 | L21 K23 R84 | L21-Q72 PolarHBondContact O-OE1 3.43Å; K23-Q72 PolarHBondContact O-NE2 3.39Å; K23-Q72 VanDerWaalsContact O-NE2 3.15Å; K23-Q72 PolarHBondContact O-OE1 2.92Å; Q72-R84 HydrophobicContact CB-CB 4.35Å; Q72-R84 PolarHBondContact O-N 2.9Å |
| 73 | A | 90.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 91.4 Ų | 91.4 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | I81 Q82 L83 | A73-I81 HydrophobicContact CB-CG2 3.77Å; A73-Q82 WeakPolarHBondContact CA-O 3.08Å; A73-L83 HydrophobicContact CB-CD2 3.56Å |
| 74 | E | 90.4 | Very high | 91.4 | Very high | 84 Ų | 84 | 94 Ų | 94 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.3 | 178 | -177.6 | 173.7 | -163.1 | 0 | 0 | 109.6 | V76 I81 Q82 R84 | E74-V76 HydrophobicContact CG-CG2 4.41Å; E74-V76 PolarHBondContact O-N 3.21Å; E74-I81 CarbonylContact O-C 3.52Å; E74-I81 WeakPolarHBondContact O-CA 3.28Å; E74-Q82 PolarHBondContact N-O 2.91Å; E74-Q82 PolarHBondContact O-N 3.23Å; E74-R84 IonicContact OE2-CZ 3.12Å; E74-R84 IonicContact OE2-NE 3.52Å; E74-R84 IonicContact OE2-NH2 3.41Å; E74-R84 PolarHBondContact OE2-NH2 3.1Å |
| 75 | H | 91.6 | Very high | 91.1 | Very high | 127 Ų | 127 | 94.2 Ų | 94.2 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 113.4 | 176 | -166.6 | -97.9 | 0 | 0 | 0 | 109.2 | A77 | H75-A77 PolarHBondContact CE1-O 3.48Å; H75-A77 PolarHBondContact NE2-O 2.94Å; H75-A77 VanDerWaalsContact NE2-O 3.12Å |
| 76 | V | 92.1 | Very high | 90.8 | Very high | 89 Ų | 89 | 90.7 Ų | 90.7 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -32 | -173.6 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | E74 R80 Q82 | E74-V76 HydrophobicContact CG-CG2 4.41Å; E74-V76 PolarHBondContact O-N 3.21Å; V76-R80 PolarHBondContact N-O 2.91Å; V76-Q82 HydrophobicContact CG2-CB 3.61Å |
| 77 | A | 92.7 | Very high | 90.3 | Very high | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 171.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H75 D79 R80 | H75-A77 PolarHBondContact CE1-O 3.48Å; H75-A77 PolarHBondContact NE2-O 2.94Å; H75-A77 VanDerWaalsContact NE2-O 3.12Å; A77-D79 PolarHBondContact O-N 2.87Å; A77-R80 HydrophobicContact CB-CB 4.04Å; A77-R80 HydrophobicContact CB-CG 4.33Å; A77-R80 PolarHBondContact N-O 3.47Å; A77-R80 PolarHBondContact O-N 2.83Å |
| 78 | E | 87.9 | Confident | 89.9 | Confident | 176 Ų | 176 | 97.1 Ų | 97.1 | 82% | 0.822 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -38 | -173.4 | -157 | 162 | -164.7 | 0 | 0 | 114.3 | ||
| 79 | D | 92.3 | Very high | 89.6 | Confident | 159 Ų | 159 | 94.5 Ų | 94.5 | 85% | 0.85 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 23.7 | 176.5 | -63 | -46.7 | 0 | 0 | 0 | 113.2 | A77 | A77-D79 PolarHBondContact O-N 2.87Š|
| 80 | R | 92.7 | Very high | 89.4 | Confident | 185 Ų | 185 | 94.6 Ų | 94.6 | 70% | 0.698 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.8 | -175.7 | -61.1 | -174.1 | 179 | -175.7 | 0.3 | 112.8 | V76 A77 | V76-R80 PolarHBondContact N-O 2.91Å; A77-R80 HydrophobicContact CB-CB 4.04Å; A77-R80 HydrophobicContact CB-CG 4.33Å; A77-R80 PolarHBondContact N-O 3.47Å; A77-R80 PolarHBondContact O-N 2.83Å |
| 81 | I | 94.1 | Very high | 89.1 | Confident | 113 Ų | 113 | 100.4 Ų | 100.4 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.4 | 173.8 | -57.2 | 175.6 | 0 | 0 | 0 | 108.4 | A73 E74 L83 | A73-I81 HydrophobicContact CB-CG2 3.77Å; E74-I81 CarbonylContact O-C 3.52Å; E74-I81 WeakPolarHBondContact O-CA 3.28Å; I81-L83 HydrophobicContact CG2-CD2 4.19Å |
| 82 | Q | 91.8 | Very high | 88.8 | Confident | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.6 | 170.8 | -177.8 | 175.5 | -3.8 | 0 | 0 | 109.3 | A73 E74 V76 | A73-Q82 WeakPolarHBondContact CA-O 3.08Å; E74-Q82 PolarHBondContact N-O 2.91Å; E74-Q82 PolarHBondContact O-N 3.23Å; V76-Q82 HydrophobicContact CG2-CB 3.61Å |
| 83 | L | 91.5 | Very high | 88.4 | Confident | 109 Ų | 109 | 111.7 Ų | 111.7 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 139.6 | 171 | -60.4 | 180 | 0 | 0 | 0 | 109.9 | A73 I81 P85 | A73-L83 HydrophobicContact CB-CD2 3.56Å; I81-L83 HydrophobicContact CG2-CD2 4.19Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.39Å |
| 84 | R | 89.1 | Confident | 87.9 | Confident | 73 Ų | 73 | 114.3 Ų | 114.3 | 28% | 0.275 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 72.1 | 173.7 | -59.8 | -176.9 | -174.9 | -158.4 | 0.2 | 109.4 | E24 Q72 E74 | E24-R84 IonicContact OE2-CZ 2.85Å; E24-R84 IonicContact OE2-NH1 2.71Å; E24-R84 PolarHBondContact OE2-NH1 3.17Å; E24-R84 IonicContact OE2-NH2 3.58Å; Q72-R84 HydrophobicContact CB-CB 4.35Å; Q72-R84 PolarHBondContact O-N 2.9Å; E74-R84 IonicContact OE2-CZ 3.12Å; E74-R84 IonicContact OE2-NE 3.52Å; E74-R84 IonicContact OE2-NH2 3.41Å; E74-R84 PolarHBondContact OE2-NH2 3.1Å |
| 85 | P | 87.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 114.9 Ų | 114.9 | 40% | 0.403 | 59% | 0.593 | S | S | . | * | trans | -68.8 | 151 | 174.7 | 30.2 | -34.1 | 0 | 0 | 0 | 110.7 | V71 L83 L90 | V71-P85 HydrophobicContact CG1-CB 4.22Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.39Å; P85-L90 HydrophobicContact CB-CD2 4.09Å; P85-L90 HydrophobicContact CG-CD2 3.94Å | ||
| 86 | R | 86.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 118.1 Ų | 118.1 | 14% | 0.14 | 60% | 0.602 | C | S | . | * | trans | -80.3 | 146.8 | 172.7 | -75.4 | 174.5 | -74.3 | -144.3 | -10 | 110.3 | L66 R67 V70 S88 L89 | L66-R86 PolarHBondContact O-NH1 2.92Å; L66-R86 PolarHBondContact O-NH2 3.12Å; R67-R86 VanDerWaalsContact C-NH2 3.31Å; R67-R86 PolarHBondContact O-NE 3.26Å; R67-R86 PolarHBondContact O-NH2 2.93Å; V70-R86 PolarHBondContact O-NH2 3.06Å; R86-S88 PolarHBondContact O-N 3.01Å; R86-L89 HydrophobicContact CB-CD1 4.4Å; R86-L89 HydrophobicContact CB-CG 4.38Å; R86-L89 WeakPolarHBondContact O-CB 3.47Å; R86-L89 PolarHBondContact O-N 2.96Å | ||
| 87 | E | 83.1 | Confident | 86.2 | Confident | 174 Ų | 174 | 116.8 Ų | 116.8 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -54.7 | -37.1 | 178.5 | -65.9 | 176.8 | -177.9 | 0 | 0 | 112.5 | L89 L90 | E87-L89 PolarHBondContact O-N 2.78Å; E87-L89 VanDerWaalsContact O-N 3.1Å; E87-L90 WeakPolarHBondContact O-CB 3.31Å; E87-L90 PolarHBondContact O-N 3.45Å |
| 88 | S | 81.8 | Confident | 85.5 | Confident | 91 Ų | 91 | 121.1 Ų | 121.1 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -63.4 | -15.6 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | R86 | R86-S88 PolarHBondContact O-N 3.01Š|
| 89 | L | 83.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 117.4 Ų | 117.4 | 31% | 0.309 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -96.5 | -12.5 | 176.9 | -57.8 | 177 | 0 | 0 | 0 | 112.3 | Q68 V71 R86 E87 | Q68-L89 VanDerWaalsContact O-CD2 3.31Å; Q68-L89 WeakPolarHBondContact O-CD2 3.35Å; V71-L89 HydrophobicContact CG2-CD1 3.94Å; R86-L89 HydrophobicContact CB-CD1 4.4Å; R86-L89 HydrophobicContact CB-CG 4.38Å; R86-L89 WeakPolarHBondContact O-CB 3.47Å; R86-L89 PolarHBondContact O-N 2.96Å; E87-L89 PolarHBondContact O-N 2.78Å; E87-L89 VanDerWaalsContact O-N 3.1Å |
| 90 | L | 85.9 | Confident | 84.1 | Confident | 106 Ų | 106 | 115.8 Ų | 115.8 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 134.5 | -179.3 | -57.9 | -179.3 | 0 | 0 | 0 | 109.5 | P85 E87 | P85-L90 HydrophobicContact CB-CD2 4.09Å; P85-L90 HydrophobicContact CG-CD2 3.94Å; E87-L90 WeakPolarHBondContact O-CB 3.31Å; E87-L90 PolarHBondContact O-N 3.45Å |
| 91 | L | 84.4 | Confident | 82.8 | Confident | 162 Ų | 162 | 116 Ų | 116 | 85% | 0.848 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 157 | 174.6 | -62.8 | 174.8 | 0 | 0 | 0 | 110 | N93 | L91-N93 PolarHBondContact O-N 3.36Š|
| 92 | E | 84.4 | Confident | 81.2 | Confident | 169 Ų | 169 | 120 Ų | 120 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.9 | 168.6 | -73.4 | -177.8 | 180 | 0 | 0 | 109.7 | V94 | E92-V94 PolarHBondContact O-N 3.2Š|
| 93 | N | 81.6 | Confident | 79.4 | Confident | 167 Ų | 167 | 127.4 Ų | 127.4 | 89% | 0.893 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.4 | 176.4 | -76.1 | -42.9 | 0 | 0 | 0 | 109.4 | L91 | L91-N93 PolarHBondContact O-N 3.36Š|
| 94 | V | 80.9 | Confident | 77.6 | Confident | 117 Ų | 117 | 125.9 Ų | 125.9 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | trans | -114.7 | 140.5 | 170.1 | -69.5 | 0 | 0 | 0 | 0 | 108.1 | E92 Y96 | E92-V94 PolarHBondContact O-N 3.2Å; V94-Y96 PolarHBondContact O-N 3.32Å | ||
| 95 | P | 83.4 | Confident | 75.7 | Confident | 96 Ų | 96 | 128.8 Ų | 128.8 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | trans | -51.8 | 134 | 174.3 | -24.9 | 33.3 | 0 | 0 | 0 | 110.3 | ||||
| 96 | Y | 77.4 | Confident | 73.8 | Confident | 196 Ų | 196 | 129.2 Ų | 129.2 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -64 | 138.3 | 173.9 | 179.7 | -105.2 | 0 | 0 | 0 | 109.4 | V94 D98 | V94-Y96 PolarHBondContact O-N 3.32Å; Y96-D98 WeakPolarHBondContact CE1-OD1 3.21Å | ||
| 97 | C | 78.1 | Confident | 72.1 | Confident | 61 Ų | 61 | 135.7 Ų | 135.7 | 41% | 0.412 | 71% | 0.71 | S | S | . | * | trans | -132.3 | 118.7 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | T99 | C97-T99 PolarHBondContact O-N 2.97Å; C97-T99 PolarHBondContact SG-OG1 2.87Å | ||
| 98 | D | 78.3 | Confident | 70.6 | Confident | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -63.2 | -27.5 | 178.5 | -67.5 | -60.5 | 0 | 0 | 0 | 112.4 | Y96 | Y96-D98 WeakPolarHBondContact CE1-OD1 3.21Š|
| 99 | T | 80 | Confident | 68.9 | Low | 98 Ų | 98 | 132.8 Ų | 132.8 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -84.9 | 129.4 | 179.7 | 62.2 | 0 | 0 | 0 | 0 | 111 | C97 R101 | C97-T99 PolarHBondContact O-N 2.97Å; C97-T99 PolarHBondContact SG-OG1 2.87Å; T99-R101 PolarHBondContact O-N 3.36Å |
| 100 | P | 70.3 | Confident | 67.1 | Low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.5 | 177.4 | -17 | 26.3 | 0 | 0 | 0 | 110.5 | K102 | P100-K102 PolarHBondContact O-N 2.86Å; P100-K102 VanDerWaalsContact O-N 3.15Å |
| 101 | R | 64.4 | Low | 65.5 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.9 | 175.5 | -163.7 | 172.2 | -176.2 | -178 | -0.4 | 109 | T99 R103 | T99-R101 PolarHBondContact O-N 3.36Å; R101-R103 PolarHBondContact O-N 3.01Å; R101-R103 VanDerWaalsContact O-N 3.08Å |
| 102 | K | 62 | Low | 63.9 | Low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | trans | -62.2 | 113.3 | 169.8 | -68 | -175.4 | -177.9 | -179.4 | 0 | 107.5 | P100 S104 | P100-K102 PolarHBondContact O-N 2.86Å; P100-K102 VanDerWaalsContact O-N 3.15Å; K102-S104 PolarHBondContact O-N 3.31Å | ||
| 103 | R | 53 | Low | 62.1 | Low | 251 Ų | 251 | 135.4 Ų | 135.4 | 95% | 0.947 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 103.8 | 174.7 | -77.7 | -172.2 | -178.9 | -159.3 | 1.2 | 108.4 | R101 | R101-R103 PolarHBondContact O-N 3.01Å; R101-R103 VanDerWaalsContact O-N 3.08Å | ||
| 104 | S | 54.5 | Low | 60.6 | Low | 76 Ų | 76 | 130.6 Ų | 130.6 | 53% | 0.531 | 70% | 0.699 | S | S | . | * | trans | -74.2 | 124.1 | 167.7 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | K102 S106 | K102-S104 PolarHBondContact O-N 3.31Å; S104-S106 PolarHBondContact O-N 3.18Å | ||
| 105 | S | 48.6 | Very low | 59.2 | Low | 134 Ų | 134 | 131.9 Ų | 131.9 | 94% | 0.937 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.8 | 21.5 | -176.4 | 36.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 106 | S | 47.6 | Very low | 57.5 | Low | 72 Ų | 72 | 133.9 Ų | 133.9 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -132.7 | 130 | 179.6 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | S104 N108 | S104-S106 PolarHBondContact O-N 3.18Å; S106-N108 PolarHBondContact O-N 3.08Å |
| 107 | N | 50.4 | Low | 56.1 | Low | 172 Ų | 172 | 128.5 Ų | 128.5 | 92% | 0.92 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 5.8 | -174.2 | -71.3 | -22.2 | 0 | 0 | 0 | 114.9 | ||
| 108 | N | 52 | Low | 54.6 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 28.8 | -177.1 | -72.8 | -9.4 | 0 | 0 | 0 | 113.3 | S106 | S106-N108 PolarHBondContact O-N 3.08Š|
| 109 | A | 46.3 | Very low | 53.2 | Low | 48 Ų | 48 | 132.5 Ų | 132.5 | 40% | 0.397 | 72% | 0.724 | S | S | . | * | trans | -76.5 | 133.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K111 | A109-K111 PolarHBondContact O-N 3.04Š| ||
| 110 | P | 45.9 | Very low | 51.3 | Low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -56.8 | 135 | 175 | 21.7 | -29.9 | 0 | 0 | 0 | 109.4 | Q112 | P110-Q112 PolarHBondContact O-N 3.15Š| ||
| 111 | K | 51.6 | Low | 49.6 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -53.9 | 107.4 | 174.6 | -67.8 | -179.3 | -178.5 | -178.2 | 0 | 106.6 | A109 S113 | A109-K111 PolarHBondContact O-N 3.04Å; K111-S113 PolarHBondContact O-N 3.2Å | ||
| 112 | Q | 50.9 | Low | 48.1 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 104.4 | 178.2 | -159.4 | 156.8 | 13.8 | 0 | 0 | 106.4 | P110 C114 | P110-Q112 PolarHBondContact O-N 3.15Å; Q112-C114 PolarHBondContact O-N 2.96Å | ||
| 113 | S | 46.4 | Very low | 46.8 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | trans | -58.8 | 115.6 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 106.9 | K111 N115 | K111-S113 PolarHBondContact O-N 3.2Å; S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 2.96Å; S113-N115 PolarHBondContact OG-OD1 3.02Å | ||
| 114 | C | 50.8 | Low | 46.5 | Very low | 67 Ų | 67 | 134 Ų | 134 | 45% | 0.453 | 75% | 0.752 | S | S | . | * | trans | -64.2 | 100.1 | 162.3 | -65.3 | 0 | 0 | 0 | 0 | 105.3 | Q112 D116 | Q112-C114 PolarHBondContact O-N 2.96Å; C114-D116 PolarHBondContact O-N 3.3Å | ||
| 115 | N | 51.8 | Low | 46 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 102.8 | 169.8 | -67.4 | -16 | 0 | 0 | 0 | 105.7 | S113 A117 | S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 2.96Å; S113-N115 PolarHBondContact OG-OD1 3.02Å; N115-A117 PolarHBondContact O-N 3.15Å; N115-A117 VanDerWaalsContact O-N 3.13Å | ||
| 116 | D | 47.2 | Very low | 45.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -58.5 | 111 | -177.2 | -63 | -47 | 0 | 0 | 0 | 110.3 | C114 | C114-D116 PolarHBondContact O-N 3.3Š| ||
| 117 | A | 48 | Very low | 45.8 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -73.9 | 136.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | N115 I119 | N115-A117 PolarHBondContact O-N 3.15Å; N115-A117 VanDerWaalsContact O-N 3.13Å; A117-I119 PolarHBondContact O-N 3.13Å | ||
| 118 | P | 46.9 | Very low | 45.5 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -59.7 | 131.7 | -174.1 | 22.6 | -31.4 | 0 | 0 | 0 | 110.4 | T120 | P118-T120 PolarHBondContact O-N 3.34Š| ||
| 119 | I | 49.6 | Very low | 45.1 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -62.4 | 95.6 | 175.4 | -57.8 | 169.2 | 0 | 0 | 0 | 107.5 | A117 R121 | A117-I119 PolarHBondContact O-N 3.13Å; I119-R121 PolarHBondContact O-N 3.32Å | ||
| 120 | T | 39.2 | Very low | 45 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 116.9 | 168.2 | 36.9 | 0 | 0 | 0 | 0 | 108.5 | P118 C122 | P118-T120 PolarHBondContact O-N 3.34Å; T120-C122 PolarHBondContact O-N 2.87Å |
| 121 | R | 34.1 | Very low | 44.9 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 121.1 | 168.1 | -125.4 | 178.6 | -167 | 172 | 3.1 | 108.2 | I119 | I119-R121 PolarHBondContact O-N 3.32Š|
| 122 | C | 33.7 | Very low | 44.4 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126 | 166.2 | -61.5 | 0 | 0 | 0 | 0 | 108.4 | T120 | T120-C122 PolarHBondContact O-N 2.87Š|
| 123 | E | 33.8 | Very low | 43.8 | Very low | 269 Ų | 269 | 141.3 Ų | 141.3 | 100% | 1.257 | 78% | 0.78 | S | S | * | * | trans | -67.7 | 0 | 165.8 | -67 | -175.9 | 153.2 | 0 | 0 | 111.6 |
Retrieved 123 of 123 residues in 28.6 ms
(Link to these results)