| 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 | 67.1 | Low | 87.4 | Confident | 185 Ų | 185 | 109.3 Ų | 109.3 | 91% | 0.911 | 52% | 0.521 | S | S | * | . | 0 | -34.8 | 0 | -63.3 | -149.8 | -178.3 | 0 | 0 | 114.6 | R3 R5 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.14Å; M1-R5 PolarHBondContact O-N 3.36Å | |||
| 2 | L | 84 | Confident | 88 | Confident | 137 Ų | 137 | 103.6 Ų | 103.6 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 179 | -70.1 | 175.5 | 0 | 0 | 0 | 113.3 | D4 R5 L6 | L2-D4 PolarHBondContact O-N 3.3Å; L2-R5 PolarHBondContact O-N 3.04Å; L2-L6 PolarHBondContact O-N 3.09Å; L2-L6 VanDerWaalsContact O-N 3.11Å |
| 3 | R | 86.3 | Confident | 88.5 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 27% | 0.268 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53 | -52.1 | 177.5 | -176.2 | -177.5 | -174.6 | 143.5 | 9.1 | 113.3 | M1 R5 L6 A7 E22 K23 L25 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.14Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 2.94Å; R3-L6 WeakPolarHBondContact O-CB 2.96Å; R3-L6 PolarHBondContact O-N 3.02Å; R3-A7 PolarHBondContact O-N 3.46Å; R3-A7 VanDerWaalsContact O-N 3.1Å; R3-E22 PolarHBondContact NH2-O 3.16Å; R3-K23 PolarHBondContact NH1-O 3.2Å; R3-L25 HydrophobicContact CG-CB 4.04Å; R3-L25 HydrophobicContact CG-CD2 3.93Å |
| 4 | D | 87.4 | Confident | 88.9 | Confident | 80 Ų | 80 | 100.9 Ų | 100.9 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.1 | -32.4 | -174.4 | -48.2 | -40.6 | 0 | 0 | 0 | 110.9 | L2 L6 A7 C8 | L2-D4 PolarHBondContact O-N 3.3Å; D4-L6 PolarHBondContact O-N 3.15Å; D4-A7 PolarHBondContact O-N 2.95Å; D4-C8 VanDerWaalsContact O-CB 3.25Å; D4-C8 WeakPolarHBondContact O-CB 3.26Å; D4-C8 PolarHBondContact O-N 3.14Å; D4-C8 PolarHBondContact O-SG 2.86Å |
| 5 | R | 90.4 | Very high | 89.3 | Confident | 175 Ų | 175 | 94.8 Ų | 94.8 | 66% | 0.66 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 172.8 | -69.6 | -177.9 | -177.1 | -179.6 | 0.7 | 112.1 | M1 L2 R3 S9 | M1-R5 PolarHBondContact O-N 3.36Å; L2-R5 PolarHBondContact O-N 3.04Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 2.94Å; R5-S9 WeakPolarHBondContact O-CB 3.08Å; R5-S9 PolarHBondContact O-N 3.48Å; R5-S9 VanDerWaalsContact O-N 3.11Å |
| 6 | L | 89.4 | Confident | 89.6 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 175.1 | -70.8 | 174.3 | 0 | 0 | 0 | 110.9 | L2 R3 D4 C8 S9 F10 | L2-L6 PolarHBondContact O-N 3.09Å; L2-L6 VanDerWaalsContact O-N 3.11Å; R3-L6 WeakPolarHBondContact O-CB 2.96Å; R3-L6 PolarHBondContact O-N 3.02Å; D4-L6 PolarHBondContact O-N 3.15Å; L6-C8 PolarHBondContact O-N 3.1Å; L6-S9 WeakPolarHBondContact O-CB 3.47Å; L6-S9 PolarHBondContact O-N 3.45Å; L6-S9 PolarHBondContact O-OG 3.5Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.34Å; L6-F10 WeakPolarHBondContact O-CE2 3.49Å |
| 7 | A | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 94.9 Ų | 94.9 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R3 D4 S9 F10 Q16 L19 L20 | R3-A7 PolarHBondContact O-N 3.46Å; R3-A7 VanDerWaalsContact O-N 3.1Å; D4-A7 PolarHBondContact O-N 2.95Å; A7-S9 PolarHBondContact O-N 3.08Å; A7-F10 WeakPolarHBondContact O-CD2 3.43Å; A7-F10 PolarHBondContact O-N 3.3Å; A7-Q16 WeakPolarHBondContact O-CG 3.4Å; A7-L19 HydrophobicContact CB-CB 4.21Å; A7-L20 HydrophobicContact CB-CD2 3.52Å; A7-L20 HydrophobicContact CB-CG 3.77Å |
| 8 | C | 90.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 54% | 0.541 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.7 | -14.1 | 179.4 | -67.4 | 0 | 0 | 0 | 0 | 114.3 | D4 L6 F10 | D4-C8 VanDerWaalsContact O-CB 3.25Å; D4-C8 WeakPolarHBondContact O-CB 3.26Å; D4-C8 PolarHBondContact O-N 3.14Å; D4-C8 PolarHBondContact O-SG 2.86Å; L6-C8 PolarHBondContact O-N 3.1Å; C8-F10 VanDerWaalsContact C-N 3.3Å |
| 9 | S | 91.6 | Very high | 90.3 | Very high | 85 Ų | 85 | 92.8 Ų | 92.8 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.3 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 113.6 | R5 L6 A7 | R5-S9 WeakPolarHBondContact O-CB 3.08Å; R5-S9 PolarHBondContact O-N 3.48Å; R5-S9 VanDerWaalsContact O-N 3.11Å; L6-S9 WeakPolarHBondContact O-CB 3.47Å; L6-S9 PolarHBondContact O-N 3.45Å; L6-S9 PolarHBondContact O-OG 3.5Å; A7-S9 PolarHBondContact O-N 3.08Å |
| 10 | F | 92.1 | Very high | 90.4 | Very high | 63 Ų | 63 | 92.1 Ų | 92.1 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -75.5 | 141.1 | 178.5 | -68.3 | -86.1 | 0 | 0 | 0 | 110.7 | L6 A7 C8 L15 Q16 L19 A34 | L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.34Å; L6-F10 WeakPolarHBondContact O-CE2 3.49Å; A7-F10 WeakPolarHBondContact O-CD2 3.43Å; A7-F10 PolarHBondContact O-N 3.3Å; C8-F10 VanDerWaalsContact C-N 3.3Å; F10-L15 HydrophobicContact CB-CD2 4.38Å; F10-L15 HydrophobicContact CD1-CD2 3.6Å; F10-L15 HydrophobicContact CE1-CD2 4.09Å; F10-L15 HydrophobicContact CG-CD2 4.05Å; F10-Q16 HydrophobicContact CB-CG 4.25Å; F10-Q16 PolarHBondContact O-NE2 3.24Å; F10-L19 HydrophobicContact CD2-CD1 3.45Å; F10-L19 VanDerWaalsContact CD2-CD1 3.45Å; F10-L19 HydrophobicContact CE2-CD1 3.42Å; F10-L19 VanDerWaalsContact CE2-CD1 3.42Å; F10-L19 HydrophobicContact CG-CD1 4.16Å; F10-L19 HydrophobicContact CZ-CD1 4.09Å; F10-A34 HydrophobicContact CE1-CB 4.23Å |
| 11 | R | 93.2 | Very high | 90.5 | Very high | 252 Ų | 252 | 91.5 Ų | 91.5 | 95% | 0.951 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -76.8 | -23.2 | 179 | -63.8 | -176.4 | -178.3 | -159 | 0.6 | 113.8 | ||
| 12 | D | 94.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 86.6 Ų | 86.6 | 22% | 0.219 | 42% | 0.417 | C | S | . | . | trans | -92.2 | 112.5 | -173.6 | -167 | -7.5 | 0 | 0 | 0 | 111.5 | T14 L15 Q16 Y37 R41 | D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 PolarHBondContact OD1-N 3.41Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 3.11Å; D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.32Å; D12-L15 VanDerWaalsContact O-N 3.16Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.36Å; D12-Y37 WeakPolarHBondContact OD2-CE1 3.47Å; D12-Y37 PolarHBondContact OD2-OH 3.42Å; D12-R41 IonicContact OD2-CZ 3.65Å; D12-R41 IonicContact OD2-NH1 3.92Å; D12-R41 PolarHBondContact OD2-NH1 2.82Å | ||
| 13 | E | 94.3 | Very high | 91.9 | Very high | 115 Ų | 115 | 88.9 Ų | 88.9 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -33.3 | -176.5 | -62.8 | -173.9 | 174.3 | 0 | 0 | 113.5 | Q16 R17 | E13-Q16 PolarHBondContact O-N 2.93Å; E13-R17 VanDerWaalsContact O-CG 3.32Å; E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.27Å; E13-R17 IonicContact OE2-CZ 3.73Å; E13-R17 IonicContact OE2-NH1 2.73Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 3.43Å |
| 14 | T | 94.6 | Very high | 91.9 | Very high | 54 Ų | 54 | 89.9 Ų | 89.9 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.5 | -38.5 | 179.3 | 53.8 | 0 | 0 | 0 | 0 | 111 | D12 R18 Y37 | D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 PolarHBondContact OD1-N 3.41Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 3.11Å; T14-R18 WeakPolarHBondContact O-CG 3.21Å; T14-R18 PolarHBondContact O-N 2.73Å; T14-R18 VanDerWaalsContact O-N 3.14Å; T14-Y37 VanDerWaalsContact OG1-CZ 3.31Å; T14-Y37 PolarHBondContact OG1-OH 3.21Å |
| 15 | L | 94.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 87.1 Ų | 87.1 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 173.7 | -178.5 | 61.1 | 0 | 0 | 0 | 110.4 | F10 D12 R17 R18 L19 A34 Y37 | F10-L15 HydrophobicContact CB-CD2 4.38Å; F10-L15 HydrophobicContact CD1-CD2 3.6Å; F10-L15 HydrophobicContact CE1-CD2 4.09Å; F10-L15 HydrophobicContact CG-CD2 4.05Å; D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.32Å; D12-L15 VanDerWaalsContact O-N 3.16Å; L15-R17 PolarHBondContact O-N 3.46Å; L15-R18 PolarHBondContact O-N 3.07Å; L15-L19 HydrophobicContact CD1-CD1 4.27Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.94Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.29Å; L15-A34 HydrophobicContact CD2-CB 4.2Å; L15-Y37 HydrophobicContact CB-CD1 4Å; L15-Y37 HydrophobicContact CB-CE1 3.9Å; L15-Y37 HydrophobicContact CD1-CD1 3.94Å; L15-Y37 HydrophobicContact CD1-CG 3.91Å; L15-Y37 HydrophobicContact CD2-CD1 4.15Å; L15-Y37 HydrophobicContact CG-CD1 4.25Å |
| 16 | Q | 94.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 82.3 Ų | 82.3 | 23% | 0.229 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 174.2 | -65.4 | -176.3 | -13.7 | 0 | 0 | 111.5 | A7 F10 D12 E13 R18 L19 L20 | A7-Q16 WeakPolarHBondContact O-CG 3.4Å; F10-Q16 HydrophobicContact CB-CG 4.25Å; F10-Q16 PolarHBondContact O-NE2 3.24Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.36Å; E13-Q16 PolarHBondContact O-N 2.93Å; Q16-R18 VanDerWaalsContact C-N 3.3Å; Q16-R18 PolarHBondContact O-N 3.23Å; Q16-L19 PolarHBondContact O-N 2.95Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 VanDerWaalsContact O-CG 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.23Å; Q16-L20 PolarHBondContact O-N 3.42Å |
| 17 | R | 94.2 | Very high | 91.9 | Very high | 142 Ų | 142 | 85.7 Ų | 85.7 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 178.3 | -71.2 | 178.1 | -160.7 | 106.9 | 5.1 | 111.9 | E13 L15 A21 | E13-R17 VanDerWaalsContact O-CG 3.32Å; E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.27Å; E13-R17 IonicContact OE2-CZ 3.73Å; E13-R17 IonicContact OE2-NH1 2.73Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 3.43Å; L15-R17 PolarHBondContact O-N 3.46Å; R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.11Å; R17-A21 PolarHBondContact O-N 3.31Å |
| 18 | R | 93.6 | Very high | 92 | Very high | 149 Ų | 149 | 90.2 Ų | 90.2 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 177.1 | -72.5 | 179.8 | -177.7 | -164.1 | 3.3 | 112 | T14 L15 Q16 L20 A21 E22 | T14-R18 WeakPolarHBondContact O-CG 3.21Å; T14-R18 PolarHBondContact O-N 2.73Å; T14-R18 VanDerWaalsContact O-N 3.14Å; L15-R18 PolarHBondContact O-N 3.07Å; Q16-R18 VanDerWaalsContact C-N 3.3Å; Q16-R18 PolarHBondContact O-N 3.23Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; R18-A21 PolarHBondContact O-N 2.84Å; R18-E22 PolarHBondContact O-N 2.69Å |
| 19 | L | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.005 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 178.9 | -66.6 | 169.5 | 0 | 0 | 0 | 112.6 | A7 F10 L15 Q16 L25 A30 L33 | A7-L19 HydrophobicContact CB-CB 4.21Å; F10-L19 HydrophobicContact CD2-CD1 3.45Å; F10-L19 VanDerWaalsContact CD2-CD1 3.45Å; F10-L19 HydrophobicContact CE2-CD1 3.42Å; F10-L19 VanDerWaalsContact CE2-CD1 3.42Å; F10-L19 HydrophobicContact CG-CD1 4.16Å; F10-L19 HydrophobicContact CZ-CD1 4.09Å; L15-L19 HydrophobicContact CD1-CD1 4.27Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.94Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.29Å; Q16-L19 PolarHBondContact O-N 2.95Å; L19-L25 HydrophobicContact CB-CD1 4.32Å; L19-L25 HydrophobicContact CB-CD2 4.28Å; L19-L25 HydrophobicContact CD2-CD1 3.76Å; L19-A30 HydrophobicContact CD2-CB 4.05Å; L19-L33 HydrophobicContact CD2-CB 4.16Å; L19-L33 HydrophobicContact CD2-CD1 4.07Å |
| 20 | L | 92.2 | Very high | 92.2 | Very high | 78 Ų | 78 | 85.2 Ų | 85.2 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.4 | -29.6 | 175.7 | -69.8 | 174.2 | 0 | 0 | 0 | 112.7 | A7 Q16 R18 E22 | A7-L20 HydrophobicContact CB-CD2 3.52Å; A7-L20 HydrophobicContact CB-CG 3.77Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 VanDerWaalsContact O-CG 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.23Å; Q16-L20 PolarHBondContact O-N 3.42Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; L20-E22 VanDerWaalsContact C-N 3.32Å |
| 21 | A | 93 | Very high | 92.3 | Very high | 81 Ų | 81 | 86 Ų | 86 | 67% | 0.669 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.1 | -21.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R17 R18 | R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.11Å; R17-A21 PolarHBondContact O-N 3.31Å; R18-A21 PolarHBondContact O-N 2.84Å |
| 22 | E | 91.1 | Very high | 92.4 | Very high | 82 Ų | 82 | 77.4 Ų | 77.4 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | trans | -58.7 | 152.5 | 177.6 | -162.6 | 50.8 | -128 | 0 | 0 | 110.5 | R3 R18 L20 L25 V29 | R3-E22 PolarHBondContact NH2-O 3.16Å; R18-E22 PolarHBondContact O-N 2.69Å; L20-E22 VanDerWaalsContact C-N 3.32Å; E22-L25 HydrophobicContact CB-CD1 4.45Å; E22-V29 HydrophobicContact CG-CG1 4.43Å | ||
| 23 | K | 88.8 | Confident | 92.4 | Very high | 184 Ų | 184 | 78.4 Ų | 78.4 | 80% | 0.8 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -86.7 | -36.7 | 177.3 | -71.4 | 178.8 | -177 | 175.4 | 0 | 112.6 | R3 | R3-K23 PolarHBondContact NH1-O 3.2Š|
| 24 | C | 85.6 | Confident | 92.4 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 63% | 0.628 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -129.3 | 101.6 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 25 | L | 87.5 | Confident | 92.5 | Very high | 22 Ų | 22 | 76.2 Ų | 76.2 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | trans | -98.7 | 93.3 | -179.4 | -169.2 | 72.1 | 0 | 0 | 0 | 110.4 | R3 L19 E22 A30 | R3-L25 HydrophobicContact CG-CB 4.04Å; R3-L25 HydrophobicContact CG-CD2 3.93Å; L19-L25 HydrophobicContact CB-CD1 4.32Å; L19-L25 HydrophobicContact CB-CD2 4.28Å; L19-L25 HydrophobicContact CD2-CD1 3.76Å; E22-L25 HydrophobicContact CB-CD1 4.45Å; L25-A30 HydrophobicContact CD1-CB 3.82Å; L25-A30 HydrophobicContact CG-CB 4.25Å | ||
| 26 | C | 90.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 78.6 Ų | 78.6 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | trans | -88.2 | 158.4 | 165.5 | -63.6 | 0 | 0 | 0 | 0 | 110 | T28 V29 A30 | C26-T28 VanDerWaalsContact C-N 3.29Å; C26-T28 PolarHBondContact O-N 3.37Å; C26-V29 HydrophobicContact CB-CG2 4.26Å; C26-V29 PolarHBondContact O-N 2.85Å; C26-A30 PolarHBondContact O-N 3.13Å | ||
| 27 | F | 89.7 | Confident | 92.7 | Very high | 145 Ų | 145 | 77.5 Ų | 77.5 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.5 | -42.2 | 178.8 | 175.7 | -101.1 | 0 | 0 | 0 | 112.6 | A30 L31 | F27-A30 PolarHBondContact O-N 2.99Å; F27-L31 HydrophobicContact CE1-CD2 4.39Å; F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 PolarHBondContact O-N 2.96Å |
| 28 | T | 92.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 75.9 Ų | 75.9 | 58% | 0.577 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.9 | -47.6 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | C26 L31 S32 | C26-T28 VanDerWaalsContact C-N 3.29Å; C26-T28 PolarHBondContact O-N 3.37Å; T28-L31 PolarHBondContact O-N 2.97Å; T28-S32 PolarHBondContact O-N 3.07Å; T28-S32 PolarHBondContact O-OG 3.18Å |
| 29 | V | 92.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | E22 C26 L31 S32 L33 | E22-V29 HydrophobicContact CG-CG1 4.43Å; C26-V29 HydrophobicContact CB-CG2 4.26Å; C26-V29 PolarHBondContact O-N 2.85Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-N 3.24Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.44Å |
| 30 | A | 93.3 | Very high | 93 | Very high | 6 Ų | 6 | 73 Ų | 73 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L19 L25 C26 F27 A34 | L19-A30 HydrophobicContact CD2-CB 4.05Å; L25-A30 HydrophobicContact CD1-CB 3.82Å; L25-A30 HydrophobicContact CG-CB 4.25Å; C26-A30 PolarHBondContact O-N 3.13Å; F27-A30 PolarHBondContact O-N 2.99Å; A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.05Å |
| 31 | L | 94.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 177.9 | 179.8 | 61.9 | 0 | 0 | 0 | 111.5 | F27 T28 V29 L33 A34 Q35 | F27-L31 HydrophobicContact CE1-CD2 4.39Å; F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 PolarHBondContact O-N 2.96Å; T28-L31 PolarHBondContact O-N 2.97Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 2.81Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.81Å; L31-A34 PolarHBondContact O-N 3.25Å; L31-Q35 HydrophobicContact CD1-CG 4.42Å; L31-Q35 WeakPolarHBondContact O-CG 2.83Å; L31-Q35 PolarHBondContact O-N 3.37Å |
| 32 | S | 95.1 | Very high | 93.2 | Very high | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | T28 V29 Q35 A36 | T28-S32 PolarHBondContact O-N 3.07Å; T28-S32 PolarHBondContact O-OG 3.18Å; V29-S32 PolarHBondContact O-N 3.24Å; S32-Q35 PolarHBondContact O-N 3.28Å; S32-A36 WeakPolarHBondContact O-CB 2.82Å; S32-A36 PolarHBondContact O-N 2.87Å |
| 33 | L | 94.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 80.7 Ų | 80.7 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.3 | -78.7 | 172.3 | 0 | 0 | 0 | 112.3 | L19 V29 L31 Y37 | L19-L33 HydrophobicContact CD2-CB 4.16Å; L19-L33 HydrophobicContact CD2-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.44Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.81Å; L33-Y37 WeakPolarHBondContact O-CB 3.36Å; L33-Y37 PolarHBondContact O-N 3.02Å |
| 34 | A | 94.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 76.2 Ų | 76.2 | 7% | 0.066 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F10 L15 A30 L31 Y37 E38 | F10-A34 HydrophobicContact CE1-CB 4.23Å; L15-A34 HydrophobicContact CD2-CB 4.2Å; A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 3.25Å; A34-Y37 PolarHBondContact O-N 3.15Å; A34-E38 WeakPolarHBondContact O-CG 3.14Å; A34-E38 PolarHBondContact O-N 2.89Å |
| 35 | Q | 96.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 77.6 Ų | 77.6 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.4 | -72.5 | 176.3 | -26.6 | 0 | 0 | 112.2 | L31 S32 Y37 E38 A39 | L31-Q35 HydrophobicContact CD1-CG 4.42Å; L31-Q35 WeakPolarHBondContact O-CG 2.83Å; L31-Q35 PolarHBondContact O-N 3.37Å; S32-Q35 PolarHBondContact O-N 3.28Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 2.92Å; Q35-E38 PolarHBondContact O-N 3.19Å; Q35-A39 PolarHBondContact O-N 3.06Å |
| 36 | A | 96.5 | Very high | 94 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S32 A39 A40 | S32-A36 WeakPolarHBondContact O-CB 2.82Å; S32-A36 PolarHBondContact O-N 2.87Å; A36-A39 PolarHBondContact O-N 3.34Å; A36-A40 VanDerWaalsContact O-CB 3.32Å; A36-A40 WeakPolarHBondContact O-CB 3.39Å; A36-A40 PolarHBondContact O-N 3.46Å |
| 37 | Y | 96.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 81.1 Ų | 81.1 | 10% | 0.102 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.7 | 178.8 | -102.3 | 0 | 0 | 0 | 112.2 | D12 T14 L15 L33 A34 Q35 A40 R41 | D12-Y37 WeakPolarHBondContact OD2-CE1 3.47Å; D12-Y37 PolarHBondContact OD2-OH 3.42Å; T14-Y37 VanDerWaalsContact OG1-CZ 3.31Å; T14-Y37 PolarHBondContact OG1-OH 3.21Å; L15-Y37 HydrophobicContact CB-CD1 4Å; L15-Y37 HydrophobicContact CB-CE1 3.9Å; L15-Y37 HydrophobicContact CD1-CD1 3.94Å; L15-Y37 HydrophobicContact CD1-CG 3.91Å; L15-Y37 HydrophobicContact CD2-CD1 4.15Å; L15-Y37 HydrophobicContact CG-CD1 4.25Å; L33-Y37 WeakPolarHBondContact O-CB 3.36Å; L33-Y37 PolarHBondContact O-N 3.02Å; A34-Y37 PolarHBondContact O-N 3.15Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 2.92Å; Y37-A40 PolarHBondContact O-N 2.94Å; Y37-R41 HydrophobicContact CD1-CG 4.41Å; Y37-R41 HydrophobicContact CE1-CG 3.98Å; Y37-R41 HydrophobicContact CE2-CG 4.23Å; Y37-R41 VanDerWaalsContact CZ-CD 3.44Å; Y37-R41 WeakPolarHBondContact O-CB 3.35Å; Y37-R41 WeakPolarHBondContact O-CG 3.42Å; Y37-R41 PolarHBondContact O-N 2.85Å; Y37-R41 WeakPolarHBondContact OH-CD 3.49Å |
| 38 | E | 95.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 78.1 Ų | 78.1 | 51% | 0.505 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 174.1 | -75 | -175.7 | 178.2 | 0 | 0 | 112.3 | A34 Q35 R41 R42 | A34-E38 WeakPolarHBondContact O-CG 3.14Å; A34-E38 PolarHBondContact O-N 2.89Å; Q35-E38 PolarHBondContact O-N 3.19Å; E38-R41 PolarHBondContact O-N 3.04Å; E38-R42 WeakPolarHBondContact O-CG 3.12Å; E38-R42 PolarHBondContact O-N 3.33Å; E38-R42 VanDerWaalsContact O-N 3.1Å |
| 39 | A | 96.7 | Very high | 93 | Very high | 47 Ų | 47 | 78.7 Ų | 78.7 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.7 | -52.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q35 A36 R41 R42 D43 | Q35-A39 PolarHBondContact O-N 3.06Å; A36-A39 PolarHBondContact O-N 3.34Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.83Å; A39-R42 WeakPolarHBondContact O-CB 3.29Å; A39-R42 PolarHBondContact O-N 3.31Å; A39-D43 PolarHBondContact O-N 2.6Å |
| 40 | A | 96 | Very high | 91.8 | Very high | 44 Ų | 44 | 83.4 Ų | 83.4 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A36 Y37 D43 V44 | A36-A40 VanDerWaalsContact O-CB 3.32Å; A36-A40 WeakPolarHBondContact O-CB 3.39Å; A36-A40 PolarHBondContact O-N 3.46Å; Y37-A40 PolarHBondContact O-N 2.94Å; A40-D43 PolarHBondContact O-N 3.31Å; A40-V44 VanDerWaalsContact O-CG2 3.29Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 2.98Å |
| 41 | R | 94.6 | Very high | 90.2 | Very high | 137 Ų | 137 | 87.3 Ų | 87.3 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.6 | -81.3 | -174.7 | 65.8 | 178 | -6.3 | 112.4 | D12 Y37 E38 A39 D43 Q45 | D12-R41 IonicContact OD2-CZ 3.65Å; D12-R41 IonicContact OD2-NH1 3.92Å; D12-R41 PolarHBondContact OD2-NH1 2.82Å; Y37-R41 HydrophobicContact CD1-CG 4.41Å; Y37-R41 HydrophobicContact CE1-CG 3.98Å; Y37-R41 HydrophobicContact CE2-CG 4.23Å; Y37-R41 VanDerWaalsContact CZ-CD 3.44Å; Y37-R41 WeakPolarHBondContact O-CB 3.35Å; Y37-R41 WeakPolarHBondContact O-CG 3.42Å; Y37-R41 PolarHBondContact O-N 2.85Å; Y37-R41 WeakPolarHBondContact OH-CD 3.49Å; E38-R41 PolarHBondContact O-N 3.04Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.83Å; R41-D43 VanDerWaalsContact C-N 3.34Å; R41-Q45 WeakPolarHBondContact O-CB 3.29Å; R41-Q45 PolarHBondContact O-N 2.8Å |
| 42 | R | 94.7 | Very high | 88.5 | Confident | 172 Ų | 172 | 88.1 Ų | 88.1 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 176.8 | -68.6 | 175.1 | -170.2 | -164.3 | 5.2 | 110.9 | E38 A39 Q45 S46 | E38-R42 WeakPolarHBondContact O-CG 3.12Å; E38-R42 PolarHBondContact O-N 3.33Å; E38-R42 VanDerWaalsContact O-N 3.1Å; A39-R42 WeakPolarHBondContact O-CB 3.29Å; A39-R42 PolarHBondContact O-N 3.31Å; R42-Q45 PolarHBondContact O-N 2.98Å; R42-S46 PolarHBondContact O-N 3.16Å; R42-S46 PolarHBondContact O-OG 3.21Å |
| 43 | D | 94.2 | Very high | 86.8 | Confident | 93 Ų | 93 | 88.3 Ų | 88.3 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.6 | -64.4 | -18.7 | 0 | 0 | 0 | 111.9 | A39 A40 R41 Q45 S46 M47 | A39-D43 PolarHBondContact O-N 2.6Å; A40-D43 PolarHBondContact O-N 3.31Å; R41-D43 VanDerWaalsContact C-N 3.34Å; D43-Q45 VanDerWaalsContact C-N 3.26Å; D43-Q45 PolarHBondContact O-N 3.07Å; D43-S46 WeakPolarHBondContact CA-OG 3.33Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-OG 3.15Å; D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 VanDerWaalsContact O-CG 3.23Å; D43-M47 WeakPolarHBondContact O-CG 3.23Å; D43-M47 PolarHBondContact O-N 3.39Å |
| 44 | V | 92.8 | Very high | 85.2 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | A40 M47 C48 | A40-V44 VanDerWaalsContact O-CG2 3.29Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 2.98Å; V44-M47 PolarHBondContact O-N 2.98Å; V44-C48 WeakPolarHBondContact O-CB 3.41Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.93Å |
| 45 | Q | 91.7 | Very high | 83.7 | Confident | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 177.5 | -173.4 | 172.9 | 26.2 | 0 | 0 | 112.3 | R41 R42 D43 N49 | R41-Q45 WeakPolarHBondContact O-CB 3.29Å; R41-Q45 PolarHBondContact O-N 2.8Å; R42-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 VanDerWaalsContact C-N 3.26Å; D43-Q45 PolarHBondContact O-N 3.07Å; Q45-N49 WeakPolarHBondContact O-CB 3.29Å; Q45-N49 PolarHBondContact O-N 3.42Å; Q45-N49 PolarHBondContact O-ND2 3.09Å; Q45-N49 PolarHBondContact O-OD1 3.41Å |
| 46 | S | 90.5 | Very high | 82.1 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -45.2 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | R42 D43 C48 N49 H50 | R42-S46 PolarHBondContact O-N 3.16Å; R42-S46 PolarHBondContact O-OG 3.21Å; D43-S46 WeakPolarHBondContact CA-OG 3.33Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-OG 3.15Å; S46-C48 PolarHBondContact O-N 3.23Å; S46-N49 PolarHBondContact O-N 2.87Å; S46-H50 PolarHBondContact O-CD2 2.86Å; S46-H50 PolarHBondContact O-N 3.48Å |
| 47 | M | 88.5 | Confident | 80.6 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.2 | -48.3 | 175.7 | -69.2 | 179.7 | 76.7 | 0 | 0 | 111.9 | D43 V44 N49 H50 C51 | D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 VanDerWaalsContact O-CG 3.23Å; D43-M47 WeakPolarHBondContact O-CG 3.23Å; D43-M47 PolarHBondContact O-N 3.39Å; V44-M47 PolarHBondContact O-N 2.98Å; M47-N49 VanDerWaalsContact C-N 3.33Å; M47-N49 PolarHBondContact O-N 3.49Å; M47-H50 PolarHBondContact O-N 3.03Å; M47-C51 VanDerWaalsContact O-CB 3.29Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.24Å; M47-C51 PolarHBondContact O-SG 3.28Å |
| 48 | C | 85 | Confident | 79 | Confident | 81 Ų | 81 | 109.1 Ų | 109.1 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.2 | -35.7 | 178.3 | -70.6 | 0 | 0 | 0 | 0 | 112.9 | V44 S46 H50 C51 | V44-C48 WeakPolarHBondContact O-CB 3.41Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.93Å; S46-C48 PolarHBondContact O-N 3.23Å; C48-H50 VanDerWaalsContact C-N 3.32Å; C48-C51 PolarHBondContact O-N 2.87Å |
| 49 | N | 78.7 | Confident | 77.4 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -28.7 | 176.8 | -71.8 | -7.2 | 0 | 0 | 0 | 112.6 | Q45 S46 M47 S52 | Q45-N49 WeakPolarHBondContact O-CB 3.29Å; Q45-N49 PolarHBondContact O-N 3.42Å; Q45-N49 PolarHBondContact O-ND2 3.09Å; Q45-N49 PolarHBondContact O-OD1 3.41Å; S46-N49 PolarHBondContact O-N 2.87Å; M47-N49 VanDerWaalsContact C-N 3.33Å; M47-N49 PolarHBondContact O-N 3.49Å; N49-S52 PolarHBondContact O-OG 3.41Å |
| 50 | H | 68 | Low | 75.7 | Confident | 154 Ų | 154 | 120.5 Ų | 120.5 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -87 | -26.6 | 175.5 | -64.9 | -55 | 0 | 0 | 0 | 112.9 | S46 M47 C48 S52 | S46-H50 PolarHBondContact O-CD2 2.86Å; S46-H50 PolarHBondContact O-N 3.48Å; M47-H50 PolarHBondContact O-N 3.03Å; C48-H50 VanDerWaalsContact C-N 3.32Å; H50-S52 VanDerWaalsContact C-N 3.29Å; H50-S52 PolarHBondContact O-N 3.37Å |
| 51 | C | 60.1 | Low | 73.7 | Confident | 87 Ų | 87 | 126.1 Ų | 126.1 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 2.3 | 179.6 | -70.9 | 0 | 0 | 0 | 0 | 114.7 | M47 C48 A53 | M47-C51 VanDerWaalsContact O-CB 3.29Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.24Å; M47-C51 PolarHBondContact O-SG 3.28Å; C48-C51 PolarHBondContact O-N 2.87Å; C51-A53 CarbonylContact O-C 3.55Å; C51-A53 PolarHBondContact O-N 2.99Å; C51-A53 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 58.3 | Low | 72 | Confident | 97 Ų | 97 | 124.8 Ų | 124.8 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 0.7 | 174.9 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | N49 H50 D54 | N49-S52 PolarHBondContact O-OG 3.41Å; H50-S52 VanDerWaalsContact C-N 3.29Å; H50-S52 PolarHBondContact O-N 3.37Å; S52-D54 PolarHBondContact O-N 3.05Å |
| 53 | A | 58.2 | Low | 70 | Confident | 76 Ų | 76 | 121 Ų | 121 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -86.8 | 87.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108 | C51 I55 | C51-A53 CarbonylContact O-C 3.55Å; C51-A53 PolarHBondContact O-N 2.99Å; C51-A53 VanDerWaalsContact O-N 3.09Å; A53-I55 PolarHBondContact O-N 3.29Å |
| 54 | D | 61.4 | Low | 67.7 | Low | 153 Ų | 153 | 122.8 Ų | 122.8 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -52 | 95.6 | 176.6 | -75.3 | -57.2 | 0 | 0 | 0 | 110.7 | S52 P56 | S52-D54 PolarHBondContact O-N 3.05Å; D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.32Å | ||
| 55 | I | 63.7 | Low | 65.5 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | trans | -82.8 | 109.5 | 153.9 | -56.6 | 169.8 | 0 | 0 | 0 | 104.2 | A53 I57 | A53-I55 PolarHBondContact O-N 3.29Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å | ||
| 56 | P | 62.6 | Low | 63.4 | Low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | -63.8 | 99.8 | 173.8 | 24.6 | -30.3 | 0 | 0 | 0 | 107.8 | D54 D58 | D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-D58 PolarHBondContact O-N 3.49Å; P56-D58 VanDerWaalsContact O-N 3.07Å | ||
| 57 | I | 66.1 | Low | 61.4 | Low | 150 Ų | 150 | 131 Ų | 131 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -65.2 | 111 | 165.9 | -59.7 | 175.6 | 0 | 0 | 0 | 105.1 | I55 R59 | I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å; I57-R59 PolarHBondContact O-N 3.26Å | ||
| 58 | D | 62.5 | Low | 59.4 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | -52.7 | 110 | 177.7 | -171 | 30.2 | 0 | 0 | 0 | 108.1 | P56 M60 | P56-D58 PolarHBondContact O-N 3.49Å; P56-D58 VanDerWaalsContact O-N 3.07Å; D58-M60 PolarHBondContact O-N 2.88Å | ||
| 59 | R | 60.8 | Low | 57.6 | Low | 228 Ų | 228 | 131.6 Ų | 131.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -67.8 | 104.3 | 172.4 | -73.5 | -173.5 | 175.2 | 113.2 | 1.4 | 104.8 | I57 H61 | I57-R59 PolarHBondContact O-N 3.26Å; R59-H61 PolarHBondContact O-N 2.86Å | ||
| 60 | M | 61.9 | Low | 56.1 | Low | 166 Ų | 166 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -48.6 | 108.8 | 164.8 | -87 | -177.5 | 75.4 | 0 | 0 | 107.1 | D58 V62 | D58-M60 PolarHBondContact O-N 2.88Å; M60-V62 PolarHBondContact O-N 2.91Å | ||
| 61 | H | 52.6 | Low | 55.1 | Low | 162 Ų | 162 | 136.2 Ų | 136.2 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | -71 | 88.5 | 178 | -171.6 | -118.2 | 0 | 0 | 0 | 105.9 | R59 T63 | R59-H61 PolarHBondContact O-N 2.86Å; H61-T63 VanDerWaalsContact CE1-CG2 3.43Å; H61-T63 WeakPolarHBondContact CE1-CG2 3.37Å; H61-T63 WeakPolarHBondContact ND1-CG2 3.46Å; H61-T63 PolarHBondContact O-N 3.44Å | ||
| 62 | V | 59.7 | Low | 54.4 | Low | 110 Ų | 110 | 136.9 Ų | 136.9 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 94.8 | 165.8 | -170.8 | 0 | 0 | 0 | 0 | 105 | M60 D64 | M60-V62 PolarHBondContact O-N 2.91Å; V62-D64 PolarHBondContact O-N 3.38Å | ||
| 63 | T | 52 | Low | 54 | Low | 93 Ų | 93 | 139.5 Ų | 139.5 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 73.1 | 171.6 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | H61 S65 | H61-T63 VanDerWaalsContact CE1-CG2 3.43Å; H61-T63 WeakPolarHBondContact CE1-CG2 3.37Å; H61-T63 WeakPolarHBondContact ND1-CG2 3.46Å; H61-T63 PolarHBondContact O-N 3.44Å; T63-S65 VanDerWaalsContact C-N 3.3Å; T63-S65 PolarHBondContact O-N 2.91Å; T63-S65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | D | 47.3 | Very low | 53.4 | Low | 129 Ų | 129 | 140.7 Ų | 140.7 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 100.4 | 154.1 | -74.9 | -33.9 | 0 | 0 | 0 | 105.9 | V62 S66 | V62-D64 PolarHBondContact O-N 3.38Å; D64-S66 PolarHBondContact O-N 3.22Å | ||
| 65 | S | 45.3 | Very low | 52.9 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 74.1 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 110 | T63 | T63-S65 VanDerWaalsContact C-N 3.3Å; T63-S65 PolarHBondContact O-N 2.91Å; T63-S65 VanDerWaalsContact O-N 3.1Å | ||
| 66 | S | 49.3 | Very low | 52.3 | Low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -155.2 | 104.3 | 166.3 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | D64 A68 | D64-S66 PolarHBondContact O-N 3.22Å; S66-A68 PolarHBondContact O-N 3.43Å |
| 67 | K | 46.7 | Very low | 51.7 | Low | 219 Ų | 219 | 139.7 Ų | 139.7 | 95% | 0.952 | 77% | 0.766 | S | S | * | * | trans | -26.4 | 105.2 | 166.3 | -83.2 | 166.7 | 168.4 | 168 | 0 | 113.7 | ||||
| 68 | A | 46.8 | Very low | 50.5 | Low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -151.3 | 71.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S66 R70 | S66-A68 PolarHBondContact O-N 3.43Å; A68-R70 PolarHBondContact O-N 3.1Å; A68-R70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | S | 47.1 | Very low | 49.7 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -74.5 | 92.6 | 162.5 | 66 | 0 | 0 | 0 | 0 | 109 | ||||
| 70 | R | 48.9 | Very low | 48.9 | Very low | 241 Ų | 241 | 134.8 Ų | 134.8 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -141.4 | 111.4 | 161.9 | -71.2 | -166.7 | -174.1 | 140.2 | 3.9 | 112.6 | A68 | A68-R70 PolarHBondContact O-N 3.1Å; A68-R70 VanDerWaalsContact O-N 3.15Å | ||
| 71 | S | 46.2 | Very low | 47.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 79.4 | 77.7 | 145.8 | -155.3 | 0 | 0 | 0 | 0 | 118.1 | N73 | S71-N73 PolarHBondContact O-N 2.92Š| ||
| 72 | S | 46 | Very low | 47.2 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 113.4 | 148.1 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | T74 | S72-T74 PolarHBondContact O-N 3.01Š| ||
| 73 | N | 48.3 | Very low | 46.3 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -86 | 91.9 | 159.5 | -165.6 | 17.6 | 0 | 0 | 0 | 108.1 | S71 | S71-N73 PolarHBondContact O-N 2.92Š| ||
| 74 | T | 46.8 | Very low | 46.4 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 120.5 | 173.2 | 42.6 | 0 | 0 | 0 | 0 | 110.9 | S72 | S72-T74 PolarHBondContact O-N 3.01Š| ||
| 75 | K | 50.4 | Low | 46.4 | Very low | 199 Ų | 199 | 122.1 Ų | 122.1 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | -107 | 74.8 | 145.7 | -69.5 | -154.4 | 178.1 | -168 | 0 | 108.1 | ||||
| 76 | A | 50.7 | Low | 46.3 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | trans | -67 | 136 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | A78 | A76-A78 PolarHBondContact O-N 2.94Š| ||
| 77 | P | 49.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -60.1 | 137.3 | 177.1 | 26.7 | -32.5 | 0 | 0 | 0 | 108.3 | L79 | P77-L79 PolarHBondContact O-N 2.76Š| ||
| 78 | A | 41.4 | Very low | 46.7 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | trans | -53.5 | 100.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A76 H80 | A76-A78 PolarHBondContact O-N 2.94Å; A78-H80 PolarHBondContact O-N 2.99Å | ||
| 79 | L | 46.6 | Very low | 47.5 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 87% | 0.869 | 68% | 0.681 | S | S | * | * | trans | -61 | 107.3 | 167.5 | -83.8 | 166.2 | 0 | 0 | 0 | 107 | P77 V81 | P77-L79 PolarHBondContact O-N 2.76Å; L79-V81 PolarHBondContact O-N 3.26Å | ||
| 80 | H | 42.9 | Very low | 48.7 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | -53 | 104 | 178.1 | 178.2 | -82.8 | 0 | 0 | 0 | 110.2 | A78 G82 | A78-H80 PolarHBondContact O-N 2.99Å; H80-G82 PolarHBondContact O-N 3.39Å | ||
| 81 | V | 41.5 | Very low | 49.7 | Very low | 148 Ų | 148 | 109.3 Ų | 109.3 | 90% | 0.897 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -60.6 | 100.3 | 167.6 | 177 | 0 | 0 | 0 | 0 | 107.6 | L79 | L79-V81 PolarHBondContact O-N 3.26Š|
| 82 | G | 37.2 | Very low | 50.8 | Low | 30 Ų | 30 | 110 Ų | 110 | 31% | 0.309 | 62% | 0.619 | S | S | . | * | trans | 168.2 | 49 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | H80 R92 | H80-G82 PolarHBondContact O-N 3.39Å; G82-R92 WeakPolarHBondContact O-CD 3.32Å; G82-R92 PolarHBondContact O-NH1 3.44Å | ||
| 83 | S | 41.9 | Very low | 52.2 | Low | 53 Ų | 53 | 109.6 Ų | 109.6 | 37% | 0.371 | 61% | 0.612 | S | S | . | * | trans | -161.4 | 84 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | F85 | S83-F85 PolarHBondContact O-N 2.99Å; S83-F85 WeakPolarHBondContact OG-CD2 3.31Å | ||
| 84 | I | 53.3 | Low | 53.6 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 64% | 0.641 | 61% | 0.606 | S | S | * | * | trans | -76.6 | 64 | 166.4 | -52.5 | 179.7 | 0 | 0 | 0 | 106.6 | ||||
| 85 | F | 46.4 | Very low | 55.1 | Low | 37 Ų | 37 | 104.9 Ų | 104.9 | 16% | 0.162 | 58% | 0.579 | C | S | . | * | trans | -105.9 | 122.6 | 174.8 | -82.4 | -91.7 | 0 | 0 | 0 | 107.6 | S83 D87 R92 C95 G109 | S83-F85 PolarHBondContact O-N 2.99Å; S83-F85 WeakPolarHBondContact OG-CD2 3.31Å; F85-D87 PolarHBondContact O-N 2.87Å; F85-R92 HydrophobicContact CD2-CG 4.32Å; F85-R92 HydrophobicContact CE2-CG 4Å; F85-C95 HydrophobicContact CD1-CB 3.79Å; F85-C95 WeakPolarHBondContact CD1-SG 3.29Å; F85-C95 HydrophobicContact CE1-CB 3.8Å; F85-C95 WeakPolarHBondContact CE1-SG 3.42Å; F85-C95 HydrophobicContact CG-CB 4.44Å; F85-G109 WeakPolarHBondContact CE1-O 3.37Å; F85-G109 WeakPolarHBondContact CZ-O 3.41Å | ||
| 86 | A | 44.5 | Very low | 56.6 | Low | 27 Ų | 27 | 100.9 Ų | 100.9 | 22% | 0.223 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -52.2 | 137.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | H90 W113 A114 | A86-H90 PolarHBondContact O-CE1 2.59Å; A86-W113 HydrophobicContact CB-CH2 3.53Å; A86-W113 HydrophobicContact CB-CZ2 3.55Å; A86-W113 HydrophobicContact CB-CZ3 4.24Å; A86-A114 HydrophobicContact CB-CB 3.87Å |
| 87 | D | 49.7 | Very low | 58.1 | Low | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | S | Bend | trans | 69.2 | 103 | -173.8 | -47.7 | -43.2 | 0 | 0 | 0 | 113.4 | F85 R89 | F85-D87 PolarHBondContact O-N 2.87Å; D87-R89 PolarHBondContact O-N 3.18Å |
| 88 | A | 54.5 | Low | 59.6 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 93% | 0.926 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 21.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 89 | R | 63.7 | Low | 61.5 | Low | 233 Ų | 233 | 102.4 Ų | 102.4 | 88% | 0.879 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 3.1 | -173.2 | -59 | -165 | -171.3 | -154.4 | 4.7 | 114 | D87 | D87-R89 PolarHBondContact O-N 3.18Š|
| 90 | H | 71.5 | Confident | 63.3 | Low | 55 Ų | 55 | 95.8 Ų | 95.8 | 26% | 0.255 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -149.7 | 149.9 | 175.3 | 61.4 | -84.7 | 0 | 0 | 0 | 111.8 | A86 Q94 C95 | A86-H90 PolarHBondContact O-CE1 2.59Å; H90-Q94 HydrophobicContact CB-CB 4.23Å; H90-C95 WeakPolarHBondContact CD2-CA 3.38Å; H90-C95 VanDerWaalsContact CD2-CB 3.49Å; H90-C95 WeakPolarHBondContact CD2-CB 3.39Å; H90-C95 PolarHBondContact CD2-N 3.14Å; H90-C95 VanDerWaalsContact NE2-CA 3.32Å; H90-C95 WeakPolarHBondContact NE2-CA 3.44Å; H90-C95 WeakPolarHBondContact NE2-CB 3.09Å; H90-C95 PolarHBondContact NE2-SG 2.88Å |
| 91 | D | 70.7 | Confident | 65.4 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | trans | -67.6 | 155.1 | 173.4 | -179.2 | 37.6 | 0 | 0 | 0 | 110.9 | T93 Q94 C95 | D91-T93 PolarHBondContact O-N 2.73Å; D91-T93 WeakPolarHBondContact OD2-CB 3.15Å; D91-T93 WeakPolarHBondContact OD2-CG2 3.32Å; D91-T93 PolarHBondContact OD2-N 3.47Å; D91-T93 PolarHBondContact OD2-OG1 2.73Å; D91-Q94 WeakPolarHBondContact O-CA 3.42Å; D91-Q94 PolarHBondContact O-N 3.28Å; D91-C95 PolarHBondContact O-N 3.4Å | ||
| 92 | R | 69.4 | Low | 67.7 | Low | 130 Ų | 130 | 91.4 Ų | 91.4 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.2 | 179.3 | -168.4 | 178.9 | 180 | -170.9 | -3.2 | 112.1 | G82 F85 | G82-R92 WeakPolarHBondContact O-CD 3.32Å; G82-R92 PolarHBondContact O-NH1 3.44Å; F85-R92 HydrophobicContact CD2-CG 4.32Å; F85-R92 HydrophobicContact CE2-CG 4Å |
| 93 | T | 75.7 | Confident | 70.2 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.4 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | D91 | D91-T93 PolarHBondContact O-N 2.73Å; D91-T93 WeakPolarHBondContact OD2-CB 3.15Å; D91-T93 WeakPolarHBondContact OD2-CG2 3.32Å; D91-T93 PolarHBondContact OD2-N 3.47Å; D91-T93 PolarHBondContact OD2-OG1 2.73Å |
| 94 | Q | 76.8 | Confident | 72.4 | Confident | 145 Ų | 145 | 94.9 Ų | 94.9 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -96.6 | 7.2 | -177.1 | -63.7 | -164.2 | 0.4 | 0 | 0 | 113.7 | H90 D91 S96 | H90-Q94 HydrophobicContact CB-CB 4.23Å; D91-Q94 WeakPolarHBondContact O-CA 3.42Å; D91-Q94 PolarHBondContact O-N 3.28Å; Q94-S96 PolarHBondContact O-N 2.88Å |
| 95 | C | 78.4 | Confident | 74.1 | Confident | 9 Ų | 9 | 89.9 Ų | 89.9 | 6% | 0.061 | 46% | 0.46 | C | S | . | . | trans | -69.1 | 120.3 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | F85 H90 D91 F97 K98 | F85-C95 HydrophobicContact CD1-CB 3.79Å; F85-C95 WeakPolarHBondContact CD1-SG 3.29Å; F85-C95 HydrophobicContact CE1-CB 3.8Å; F85-C95 WeakPolarHBondContact CE1-SG 3.42Å; F85-C95 HydrophobicContact CG-CB 4.44Å; H90-C95 WeakPolarHBondContact CD2-CA 3.38Å; H90-C95 VanDerWaalsContact CD2-CB 3.49Å; H90-C95 WeakPolarHBondContact CD2-CB 3.39Å; H90-C95 PolarHBondContact CD2-N 3.14Å; H90-C95 VanDerWaalsContact NE2-CA 3.32Å; H90-C95 WeakPolarHBondContact NE2-CA 3.44Å; H90-C95 WeakPolarHBondContact NE2-CB 3.09Å; H90-C95 PolarHBondContact NE2-SG 2.88Å; D91-C95 PolarHBondContact O-N 3.4Å; C95-F97 PolarHBondContact O-N 3.5Å; C95-F97 VanDerWaalsContact O-N 3.13Å; C95-F97 PolarHBondContact SG-N 3.46Å; C95-K98 HydrophobicContact CB-CB 4.35Å; C95-K98 WeakPolarHBondContact O-CB 3.34Å; C95-K98 PolarHBondContact O-N 3.3Å | ||
| 96 | S | 82.1 | Confident | 76 | Confident | 115 Ų | 115 | 95.1 Ų | 95.1 | 80% | 0.804 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26 | 171.7 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | Q94 | Q94-S96 PolarHBondContact O-N 2.88Š|
| 97 | F | 81.6 | Confident | 78 | Confident | 80 Ų | 80 | 101.8 Ų | 101.8 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 11.3 | 177.8 | -54.4 | -68.1 | 0 | 0 | 0 | 114.2 | C95 N99 A100 G109 V111 | C95-F97 PolarHBondContact O-N 3.5Å; C95-F97 VanDerWaalsContact O-N 3.13Å; C95-F97 PolarHBondContact SG-N 3.46Å; F97-N99 PolarHBondContact O-N 2.95Å; F97-A100 HydrophobicContact CB-CB 3.99Å; F97-A100 HydrophobicContact CD1-CB 4.11Å; F97-A100 WeakPolarHBondContact O-CB 3.38Å; F97-A100 PolarHBondContact O-N 2.95Å; F97-G109 CarbonylContact O-C 3.57Å; F97-G109 WeakPolarHBondContact O-CA 3.4Å; F97-V111 HydrophobicContact CB-CG1 4.5Å; F97-V111 HydrophobicContact CD1-CB 4.32Å; F97-V111 HydrophobicContact CD1-CG1 3.33Å; F97-V111 HydrophobicContact CD1-CG2 3.95Å; F97-V111 HydrophobicContact CD2-CG2 4.06Å; F97-V111 HydrophobicContact CE1-CG1 3.66Å; F97-V111 HydrophobicContact CE1-CG2 4.09Å; F97-V111 HydrophobicContact CE2-CG2 4.2Å; F97-V111 HydrophobicContact CG-CG1 4Å; F97-V111 HydrophobicContact CG-CG2 3.92Å; F97-V111 HydrophobicContact CZ-CG2 4.21Å |
| 98 | K | 81.6 | Confident | 79.7 | Confident | 109 Ų | 109 | 100.4 Ų | 100.4 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.4 | -179 | -179.9 | -179.8 | 177.7 | -175.4 | 0 | 113 | C95 G109 | C95-K98 HydrophobicContact CB-CB 4.35Å; C95-K98 WeakPolarHBondContact O-CB 3.34Å; C95-K98 PolarHBondContact O-N 3.3Å; K98-G109 VanDerWaalsContact O-CA 3.29Å; K98-G109 WeakPolarHBondContact O-CA 3.42Å; K98-G109 PolarHBondContact O-N 2.92Å |
| 99 | N | 81.3 | Confident | 81.2 | Confident | 139 Ų | 139 | 95.6 Ų | 95.6 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 1.4 | 179.6 | -61.5 | -27.9 | 0 | 0 | 0 | 113.2 | F97 | F97-N99 PolarHBondContact O-N 2.95Š|
| 100 | A | 84.5 | Confident | 82.3 | Confident | 28 Ų | 28 | 86 Ų | 86 | 23% | 0.231 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 132.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F97 A108 G109 V111 | F97-A100 HydrophobicContact CB-CB 3.99Å; F97-A100 HydrophobicContact CD1-CB 4.11Å; F97-A100 WeakPolarHBondContact O-CB 3.38Å; F97-A100 PolarHBondContact O-N 2.95Å; A100-A108 CarbonylContact O-C 3.52Å; A100-A108 WeakPolarHBondContact O-CA 3.39Å; A100-G109 PolarHBondContact O-N 3.45Å; A100-V111 HydrophobicContact CB-CG1 4.14Å |
| 101 | R | 87.1 | Confident | 83 | Confident | 206 Ų | 206 | 84.8 Ų | 84.8 | 78% | 0.777 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -86.2 | 126.4 | 173.2 | -78 | -177.7 | 165.5 | 176.3 | -3.9 | 109.8 | S103 | R101-S103 PolarHBondContact O-N 2.91Å |
| 102 | C | 89.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.007 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.6 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | Y104 C105 H106 R107 H110 C115 | C102-Y104 PolarHBondContact O-N 3.36Å; C102-Y104 PolarHBondContact SG-N 2.99Å; C102-Y104 VanDerWaalsContact SG-N 3.42Å; C102-C105 PolarHBondContact SG-N 3.27Å; C102-H106 WeakPolarHBondContact O-CA 3.39Å; C102-H106 PolarHBondContact O-N 3.32Å; C102-R107 WeakPolarHBondContact CB-O 3.33Å; C102-R107 PolarHBondContact N-O 3.48Å; C102-H110 WeakPolarHBondContact CA-O 3.25Å; C102-H110 VanDerWaalsContact CB-NE2 3.3Å; C102-H110 WeakPolarHBondContact CB-NE2 3.47Å; C102-H110 WeakPolarHBondContact CB-O 3.48Å; C102-H110 PolarHBondContact N-O 2.95Å; C102-H110 PolarHBondContact SG-NE2 3.42Å; C102-C115 VanDerWaalsContact SG-SG 3.65Å |
| 103 | S | 89.6 | Confident | 84.3 | Confident | 81 Ų | 81 | 84.6 Ų | 84.6 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | 178.2 | -43.7 | 0 | 0 | 0 | 0 | 114.3 | R101 H106 | R101-S103 PolarHBondContact O-N 2.91Å; S103-H106 PolarHBondContact O-CE1 3.24Å |
| 104 | Y | 89.3 | Confident | 84.6 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -45.2 | -178.7 | 176.9 | -83.3 | 0 | 0 | 0 | 113.1 | C102 K117 K118 E121 | C102-Y104 PolarHBondContact O-N 3.36Å; C102-Y104 PolarHBondContact SG-N 2.99Å; C102-Y104 VanDerWaalsContact SG-N 3.42Å; Y104-K117 HydrophobicContact CD1-CB 4.05Å; Y104-K117 HydrophobicContact CE1-CB 3.46Å; Y104-K117 VanDerWaalsContact CE1-CB 3.46Å; Y104-K117 HydrophobicContact CE1-CD 4.35Å; Y104-K118 HydrophobicContact CD1-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CG 4.24Å; Y104-K118 HydrophobicContact CE1-CB 4.38Å; Y104-K118 HydrophobicContact CE2-CB 4.32Å; Y104-K118 HydrophobicContact CE2-CG 4.41Å; Y104-K118 HydrophobicContact CG-CB 4.08Å; Y104-E121 PolarHBondContact OH-OE1 3.48Å; Y104-E121 VanDerWaalsContact OH-OE1 3.05Å; Y104-E121 PolarHBondContact OH-OE2 2.72Å |
| 105 | C | 87.9 | Confident | 85.1 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -0.2 | -177.5 | 78.5 | 0 | 0 | 0 | 0 | 114.6 | C102 R107 H110 K117 | C102-C105 PolarHBondContact SG-N 3.27Å; C105-R107 PolarHBondContact O-N 3.16Å; C105-H110 PolarHBondContact SG-CE1 2.56Å; C105-H110 PolarHBondContact SG-NE2 3.42Å; C105-K117 HydrophobicContact CB-CD 3.99Å |
| 106 | H | 87 | Confident | 85.3 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 68% | 0.681 | 39% | 0.393 | S | S | * | . | trans | 56.3 | 18.6 | 179.7 | -51.9 | -64.5 | 0 | 0 | 0 | 115.6 | C102 S103 | C102-H106 WeakPolarHBondContact O-CA 3.39Å; C102-H106 PolarHBondContact O-N 3.32Å; S103-H106 PolarHBondContact O-CE1 3.24Å | ||
| 107 | R | 85.6 | Confident | 85.4 | Confident | 166 Ų | 166 | 79.5 Ų | 79.5 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | trans | -93.9 | 144.5 | 175.1 | -63.3 | -179.3 | 179.4 | -169.5 | -3.5 | 110.3 | C102 C105 | C102-R107 WeakPolarHBondContact CB-O 3.33Å; C102-R107 PolarHBondContact N-O 3.48Å; C105-R107 PolarHBondContact O-N 3.16Å | ||
| 108 | A | 86.1 | Confident | 85.6 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 56% | 0.562 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -76.1 | 153.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 | A100-A108 CarbonylContact O-C 3.52Å; A100-A108 WeakPolarHBondContact O-CA 3.39Å |
| 109 | G | 85.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 93.4 | 21.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | F85 F97 K98 A100 | F85-G109 WeakPolarHBondContact CE1-O 3.37Å; F85-G109 WeakPolarHBondContact CZ-O 3.41Å; F97-G109 CarbonylContact O-C 3.57Å; F97-G109 WeakPolarHBondContact O-CA 3.4Å; K98-G109 VanDerWaalsContact O-CA 3.29Å; K98-G109 WeakPolarHBondContact O-CA 3.42Å; K98-G109 PolarHBondContact O-N 2.92Å; A100-G109 PolarHBondContact O-N 3.45Å |
| 110 | H | 86.5 | Confident | 85.4 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | trans | -168.1 | 164.9 | 163.7 | 61.8 | -73.9 | 0 | 0 | 0 | 109.7 | C102 C105 A114 C115 | C102-H110 WeakPolarHBondContact CA-O 3.25Å; C102-H110 VanDerWaalsContact CB-NE2 3.3Å; C102-H110 WeakPolarHBondContact CB-NE2 3.47Å; C102-H110 WeakPolarHBondContact CB-O 3.48Å; C102-H110 PolarHBondContact N-O 2.95Å; C102-H110 PolarHBondContact SG-NE2 3.42Å; C105-H110 PolarHBondContact SG-CE1 2.56Å; C105-H110 PolarHBondContact SG-NE2 3.42Å; H110-A114 HydrophobicContact CB-CB 4.43Å; H110-C115 VanDerWaalsContact CD2-CA 3.49Å; H110-C115 WeakPolarHBondContact CD2-CA 3.36Å; H110-C115 PolarHBondContact NE2-SG 2.98Å; H110-C115 VanDerWaalsContact NE2-SG 3.37Å | ||
| 111 | V | 85.8 | Confident | 84.9 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -104.3 | 160.7 | 177.5 | -84.7 | 0 | 0 | 0 | 0 | 110.9 | F97 A100 W113 A114 C115 | F97-V111 HydrophobicContact CB-CG1 4.5Å; F97-V111 HydrophobicContact CD1-CB 4.32Å; F97-V111 HydrophobicContact CD1-CG1 3.33Å; F97-V111 HydrophobicContact CD1-CG2 3.95Å; F97-V111 HydrophobicContact CD2-CG2 4.06Å; F97-V111 HydrophobicContact CE1-CG1 3.66Å; F97-V111 HydrophobicContact CE1-CG2 4.09Å; F97-V111 HydrophobicContact CE2-CG2 4.2Å; F97-V111 HydrophobicContact CG-CG1 4Å; F97-V111 HydrophobicContact CG-CG2 3.92Å; F97-V111 HydrophobicContact CZ-CG2 4.21Å; A100-V111 HydrophobicContact CB-CG1 4.14Å; V111-W113 HydrophobicContact CG2-CG 4.43Å; V111-W113 PolarHBondContact O-N 2.95Å; V111-W113 VanDerWaalsContact O-N 3.09Å; V111-A114 HydrophobicContact CG2-CB 4.44Å; V111-A114 CarbonylContact O-C 3.59Å; V111-A114 PolarHBondContact O-N 3.43Å; V111-C115 PolarHBondContact O-N 3.47Å | ||
| 112 | Q | 84.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -54 | -34.7 | -170.7 | -177.4 | 178.5 | -7.2 | 0 | 0 | 114.2 | C115 K118 | Q112-C115 WeakPolarHBondContact O-CB 3.23Å; Q112-C115 PolarHBondContact O-N 2.95Å; Q112-K118 HydrophobicContact CG-CD 3.92Å |
| 113 | W | 82.8 | Confident | 82.5 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 56% | 0.557 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -70.4 | -31 | 178.6 | 73.9 | -79.9 | 0 | 0 | 0 | 113.3 | A86 V111 C115 Q119 | A86-W113 HydrophobicContact CB-CH2 3.53Å; A86-W113 HydrophobicContact CB-CZ2 3.55Å; A86-W113 HydrophobicContact CB-CZ3 4.24Å; V111-W113 HydrophobicContact CG2-CG 4.43Å; V111-W113 PolarHBondContact O-N 2.95Å; V111-W113 VanDerWaalsContact O-N 3.09Å; W113-C115 VanDerWaalsContact C-N 3.34Å; W113-Q119 PolarHBondContact O-NE2 3.23Å |
| 114 | A | 83.1 | Confident | 80.9 | Confident | 9 Ų | 9 | 80.5 Ų | 80.5 | 7% | 0.074 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -89.2 | 2.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A86 H110 V111 Y116 | A86-A114 HydrophobicContact CB-CB 3.87Å; H110-A114 HydrophobicContact CB-CB 4.43Å; V111-A114 HydrophobicContact CG2-CB 4.44Å; V111-A114 CarbonylContact O-C 3.59Å; V111-A114 PolarHBondContact O-N 3.43Å; A114-Y116 PolarHBondContact O-N 3.16Å |
| 115 | C | 86.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.007 | 43% | 0.427 | C | S | . | . | trans | -71.8 | 114.3 | -177.2 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | C102 H110 V111 Q112 W113 K117 K118 Q119 | C102-C115 VanDerWaalsContact SG-SG 3.65Å; H110-C115 VanDerWaalsContact CD2-CA 3.49Å; H110-C115 WeakPolarHBondContact CD2-CA 3.36Å; H110-C115 PolarHBondContact NE2-SG 2.98Å; H110-C115 VanDerWaalsContact NE2-SG 3.37Å; V111-C115 PolarHBondContact O-N 3.47Å; Q112-C115 WeakPolarHBondContact O-CB 3.23Å; Q112-C115 PolarHBondContact O-N 2.95Å; W113-C115 VanDerWaalsContact C-N 3.34Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.18Å; C115-K118 HydrophobicContact CB-CB 4.13Å; C115-K118 PolarHBondContact O-N 3.5Å; C115-K118 VanDerWaalsContact O-N 3.11Å; C115-Q119 WeakPolarHBondContact O-CG 3.4Å; C115-Q119 PolarHBondContact O-N 2.84Å | ||
| 116 | Y | 83.4 | Confident | 77.2 | Confident | 142 Ų | 142 | 92 Ų | 92 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54.9 | -40.6 | 178.1 | -175.5 | -93.8 | 0 | 0 | 0 | 112.8 | A114 K118 Q119 S120 | A114-Y116 PolarHBondContact O-N 3.16Å; Y116-K118 VanDerWaalsContact C-N 3.35Å; Y116-K118 PolarHBondContact O-N 3.39Å; Y116-Q119 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-N 2.7Å; Y116-S120 PolarHBondContact O-OG 3.32Å |
| 117 | K | 83.9 | Confident | 75.5 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.9 | -65.8 | -169.5 | 175.4 | -169.3 | 0 | 112.4 | Y104 C105 C115 S120 E121 | Y104-K117 HydrophobicContact CD1-CB 4.05Å; Y104-K117 HydrophobicContact CE1-CB 3.46Å; Y104-K117 VanDerWaalsContact CE1-CB 3.46Å; Y104-K117 HydrophobicContact CE1-CD 4.35Å; C105-K117 HydrophobicContact CB-CD 3.99Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.18Å; K117-S120 PolarHBondContact O-OG 3.19Å; K117-E121 PolarHBondContact O-N 3.11Å |
| 118 | K | 86.3 | Confident | 73.7 | Confident | 58 Ų | 58 | 97 Ų | 97 | 25% | 0.252 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 177.4 | -171.2 | -175.6 | 177.7 | -168.7 | 0 | 111.5 | Y104 Q112 C115 Y116 E121 H122 | Y104-K118 HydrophobicContact CD1-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CG 4.24Å; Y104-K118 HydrophobicContact CE1-CB 4.38Å; Y104-K118 HydrophobicContact CE2-CB 4.32Å; Y104-K118 HydrophobicContact CE2-CG 4.41Å; Y104-K118 HydrophobicContact CG-CB 4.08Å; Q112-K118 HydrophobicContact CG-CD 3.92Å; C115-K118 HydrophobicContact CB-CB 4.13Å; C115-K118 PolarHBondContact O-N 3.5Å; C115-K118 VanDerWaalsContact O-N 3.11Å; Y116-K118 VanDerWaalsContact C-N 3.35Å; Y116-K118 PolarHBondContact O-N 3.39Å; K118-E121 PolarHBondContact O-N 3.22Å; K118-H122 PolarHBondContact O-N 2.64Å; K118-H122 VanDerWaalsContact O-N 3.08Å; K118-H122 PolarHBondContact O-ND1 2.91Å; K118-H122 VanDerWaalsContact O-ND1 3.14Å |
| 119 | Q | 80.2 | Confident | 71.8 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.9 | -68.7 | 178.6 | 10.8 | 0 | 0 | 111.8 | W113 C115 Y116 E121 H122 G123 | W113-Q119 PolarHBondContact O-NE2 3.23Å; C115-Q119 WeakPolarHBondContact O-CG 3.4Å; C115-Q119 PolarHBondContact O-N 2.84Å; Y116-Q119 PolarHBondContact O-N 3.24Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.46Å; Q119-H122 PolarHBondContact O-N 3.1Å; Q119-G123 PolarHBondContact O-N 3.33Å |
| 120 | S | 77 | Confident | 69.8 | Low | 71 Ų | 71 | 105.2 Ų | 105.2 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -31.5 | 175.7 | 53 | 0 | 0 | 0 | 0 | 113.5 | Y116 K117 | Y116-S120 PolarHBondContact O-N 2.7Å; Y116-S120 PolarHBondContact O-OG 3.32Å; K117-S120 PolarHBondContact O-OG 3.19Å |
| 121 | E | 73.7 | Confident | 67.5 | Low | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.9 | -38.2 | 176.6 | -74.8 | -174.2 | 163.8 | 0 | 0 | 112.9 | Y104 K117 K118 Q119 | Y104-E121 PolarHBondContact OH-OE1 3.48Å; Y104-E121 VanDerWaalsContact OH-OE1 3.05Å; Y104-E121 PolarHBondContact OH-OE2 2.72Å; K117-E121 PolarHBondContact O-N 3.11Å; K118-E121 PolarHBondContact O-N 3.22Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.46Å |
| 122 | H | 65.8 | Low | 65.2 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -81.9 | -21.3 | -179.1 | -72 | 58.1 | 0 | 0 | 0 | 113 | K118 Q119 N124 R125 | K118-H122 PolarHBondContact O-N 2.64Å; K118-H122 VanDerWaalsContact O-N 3.08Å; K118-H122 PolarHBondContact O-ND1 2.91Å; K118-H122 VanDerWaalsContact O-ND1 3.14Å; Q119-H122 PolarHBondContact O-N 3.1Å; H122-N124 PolarHBondContact O-N 3.33Å; H122-N124 VanDerWaalsContact O-N 3.15Å; H122-R125 PolarHBondContact O-N 2.93Å |
| 123 | G | 62 | Low | 63.3 | Low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q119 | Q119-G123 PolarHBondContact O-N 3.33Š|
| 124 | N | 56 | Low | 61.6 | Low | 145 Ų | 145 | 119.5 Ų | 119.5 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 8.2 | 178.6 | -149.9 | 10.7 | 0 | 0 | 0 | 114 | H122 | H122-N124 PolarHBondContact O-N 3.33Å; H122-N124 VanDerWaalsContact O-N 3.15Å |
| 125 | R | 52.7 | Low | 59.7 | Low | 207 Ų | 207 | 124.1 Ų | 124.1 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -116.2 | 120.1 | 170.4 | -75.2 | -173.9 | 164.6 | -168.6 | -4.7 | 109.5 | H122 R127 | H122-R125 PolarHBondContact O-N 2.93Å; R125-R127 PolarHBondContact O-N 3.21Å |
| 126 | P | 46.9 | Very low | 57.4 | Low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 69% | 0.692 | S | S | * | * | trans | -60.6 | 112.6 | 169.1 | 24.6 | -29.3 | 0 | 0 | 0 | 107.6 | E128 | P126-E128 PolarHBondContact O-N 3.31Å; P126-E128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | R | 49.3 | Very low | 55 | Low | 223 Ų | 223 | 132.5 Ų | 132.5 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -70.9 | 105.9 | 170.5 | -92 | -177.3 | 161 | -172.5 | -7.7 | 107.6 | R125 S129 | R125-R127 PolarHBondContact O-N 3.21Å; R127-S129 PolarHBondContact O-N 3.43Å | ||
| 128 | E | 48.7 | Very low | 52.7 | Low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | trans | -59.4 | 121.9 | 166.1 | -148.4 | 168.6 | -171.8 | 0 | 0 | 108.4 | P126 | P126-E128 PolarHBondContact O-N 3.31Å; P126-E128 VanDerWaalsContact O-N 3.14Å | ||
| 129 | S | 46.4 | Very low | 50.5 | Low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -82.6 | 124 | -170.8 | 49 | 0 | 0 | 0 | 0 | 111.4 | R127 | R127-S129 PolarHBondContact O-N 3.43Š| ||
| 130 | T | 44.6 | Very low | 48.7 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | -112.9 | 99.8 | 155.4 | 25.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 131 | G | 36.4 | Very low | 46.7 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 58.3 | 120.7 | 139 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 132 | K | 39.5 | Very low | 44.9 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | 89.2 | 102.6 | 161.9 | -53.3 | 164.9 | -175.7 | 175 | 0 | 113.4 | ||||
| 133 | D | 44.2 | Very low | 43.8 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | -174.1 | 128.5 | 117.4 | -82 | -30.6 | 0 | 0 | 0 | 110.2 | |||||
| 134 | I | 46.8 | Very low | 42.9 | Very low | 158 Ų | 158 | 158.7 Ų | 158.7 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -84.9 | 151.6 | -178.8 | -52.3 | 176.5 | 0 | 0 | 0 | 107.2 | ||||
| 135 | V | 43.6 | Very low | 42.2 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 64% | 0.642 | 81% | 0.811 | S | S | * | * | trans | 99.4 | 112.1 | 154.5 | -166.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 136 | R | 37.9 | Very low | 41.8 | Very low | 242 Ų | 242 | 153.6 Ų | 153.6 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | 83.9 | 105.2 | 149.2 | -79.8 | 168.9 | 175.2 | 135.5 | -2.9 | 119.6 | ||||
| 137 | G | 33 | Very low | 41.7 | Very low | 77 Ų | 77 | 158.7 Ų | 158.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | 110.4 | 72.5 | 126.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | I139 | G137-I139 PolarHBondContact O-N 3.11Š| |||
| 138 | R | 36.5 | Very low | 41.1 | Very low | 205 Ų | 205 | 157.4 Ų | 157.4 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | trans | -77.4 | 112.8 | 158.6 | -77 | 174.5 | -175.7 | -172.9 | 4.3 | 109.4 | Y140 | R138-Y140 HydrophobicContact CB-CE1 4.45Å; R138-Y140 HydrophobicContact CB-CE2 4.18Å; R138-Y140 WeakPolarHBondContact CD-OH 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.02Å; R138-Y140 HydrophobicContact CG-CE2 4.13Å; R138-Y140 VanDerWaalsContact CG-OH 3.26Å; R138-Y140 WeakPolarHBondContact CG-OH 3.5Å; R138-Y140 PolarHBondContact NE-OH 3.44Å | ||
| 139 | I | 40.1 | Very low | 40.7 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -132.5 | 110.7 | 145.3 | -59 | 179 | 0 | 0 | 0 | 106.3 | G137 | G137-I139 PolarHBondContact O-N 3.11Š| ||
| 140 | Y | 41 | Very low | 40.6 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | trans | -107.8 | 123.1 | 163.5 | -11.2 | -93.5 | 0 | 0 | 0 | 107.1 | R138 | R138-Y140 HydrophobicContact CB-CE1 4.45Å; R138-Y140 HydrophobicContact CB-CE2 4.18Å; R138-Y140 WeakPolarHBondContact CD-OH 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.02Å; R138-Y140 HydrophobicContact CG-CE2 4.13Å; R138-Y140 VanDerWaalsContact CG-OH 3.26Å; R138-Y140 WeakPolarHBondContact CG-OH 3.5Å; R138-Y140 PolarHBondContact NE-OH 3.44Å | ||
| 141 | C | 35.4 | Very low | 40.9 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | trans | -100.6 | 107.1 | 153.6 | -102.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 142 | R | 36.4 | Very low | 41.4 | Very low | 227 Ų | 227 | 159.9 Ų | 159.9 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -65.9 | 123.5 | 167.8 | -83.6 | 174.6 | 167.9 | 178.6 | -4 | 109 | ||||
| 143 | T | 43.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 157.7 Ų | 157.7 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -121.5 | 84.9 | 148 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 144 | N | 41.3 | Very low | 41.6 | Very low | 144 Ų | 144 | 159.7 Ų | 159.7 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -117.1 | 108.3 | 167.1 | -95.6 | -21.5 | 0 | 0 | 0 | 106.8 | ||||
| 145 | V | 42.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 162.5 Ų | 162.5 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -163.9 | 127.4 | 142.4 | 176.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 146 | S | 43.3 | Very low | 41.1 | Very low | 105 Ų | 105 | 169.4 Ų | 169.4 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | cis | -164.6 | 131.3 | -18.2 | -89.6 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 147 | R | 44.5 | Very low | 41.1 | Very low | 236 Ų | 236 | 163.2 Ų | 163.2 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -68.3 | 139.5 | 169.1 | -72.6 | 179.8 | -177.8 | -176.6 | 0.8 | 109 | ||||
| 148 | Q | 36.5 | Very low | 41.3 | Very low | 197 Ų | 197 | 171.3 Ų | 171.3 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -57.5 | 144.1 | 177.5 | -63.1 | 161.9 | 10.5 | 0 | 0 | 111.7 | ||||
| 149 | A | 41.8 | Very low | 41.4 | Very low | 92 Ų | 92 | 169.2 Ų | 169.2 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -135 | 136.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 150 | P | 43.5 | Very low | 41.3 | Very low | 130 Ų | 130 | 168.7 Ų | 168.7 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -91.5 | 133.1 | -165.8 | 34.9 | -30.6 | 0 | 0 | 0 | 110.8 | ||||
| 151 | T | 50.6 | Low | 41.2 | Very low | 142 Ų | 142 | 167.1 Ų | 167.1 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | trans | -132 | 148.9 | 160 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 152 | K | 47 | Very low | 41.5 | Very low | 200 Ų | 200 | 168 Ų | 168 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -71.2 | 143.3 | -156.1 | -63.1 | 163.6 | 176.7 | 175.6 | 0 | 111.3 | ||||
| 153 | N | 49.4 | Very low | 41.6 | Very low | 151 Ų | 151 | 162 Ų | 162 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | 64 | 92.7 | 141.5 | -148.8 | 13 | 0 | 0 | 0 | 116.8 | ||||
| 154 | R | 39.5 | Very low | 41.7 | Very low | 207 Ų | 207 | 159.1 Ų | 159.1 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | 167.8 | 125.3 | 119.6 | -96.1 | 177.7 | 171.2 | -174.8 | -1.4 | 111.1 | |||||
| 155 | R | 41.9 | Very low | 41.9 | Very low | 217 Ų | 217 | 162.6 Ų | 162.6 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 58.1 | 115.4 | 145.2 | -60.5 | -174 | -174.9 | -172.8 | 1.1 | 118.2 | V157 | R155-V157 PolarHBondContact O-N 3.32Š| ||
| 156 | R | 36.5 | Very low | 41.9 | Very low | 251 Ų | 251 | 161.3 Ų | 161.3 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -44.3 | 115.3 | 158 | -70.9 | 177.7 | -178.7 | -165.1 | 0.1 | 111 | ||||
| 157 | V | 39 | Very low | 41.7 | Very low | 112 Ų | 112 | 162.2 Ų | 162.2 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 132.6 | 143.2 | -173.9 | 0 | 0 | 0 | 0 | 108 | R155 H159 | R155-V157 PolarHBondContact O-N 3.32Å; V157-H159 PolarHBondContact O-N 3.43Å | ||
| 158 | R | 36.3 | Very low | 41.7 | Very low | 246 Ų | 246 | 161.9 Ų | 161.9 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 118.3 | 168 | -69.2 | 173.5 | 167.7 | -177.9 | -4.4 | 108.6 | ||||
| 159 | H | 38.8 | Very low | 42 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -125.6 | 110.9 | 163.9 | -84.2 | -92.6 | 0 | 0 | 0 | 106 | V157 | V157-H159 PolarHBondContact O-N 3.43Š| ||
| 160 | F | 39.2 | Very low | 42 | Very low | 153 Ų | 153 | 166.8 Ų | 166.8 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | 58.7 | 100 | 72.7 | -147 | -65.5 | 0 | 0 | 0 | 111.9 | Q162 | F160-Q162 HydrophobicContact CD1-CB 3.46Å; F160-Q162 VanDerWaalsContact CD1-CB 3.46Å; F160-Q162 HydrophobicContact CD1-CG 3.8Å; F160-Q162 VanDerWaalsContact CD1-N 3.29Å; F160-Q162 HydrophobicContact CE1-CB 3.34Å; F160-Q162 VanDerWaalsContact CE1-CD 3.45Å; F160-Q162 HydrophobicContact CE1-CG 3.22Å; F160-Q162 HydrophobicContact CZ-CG 4.06Å | |||
| 161 | C | 38.1 | Very low | 42.3 | Very low | 130 Ų | 130 | 165 Ų | 165 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -94.1 | 99.3 | 159.1 | -167.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 162 | Q | 41.2 | Very low | 41.7 | Very low | 145 Ų | 145 | 166.9 Ų | 166.9 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -98.2 | 166 | 165.5 | -133.9 | 154.7 | 65.6 | 0 | 0 | 105.6 | F160 | F160-Q162 HydrophobicContact CD1-CB 3.46Å; F160-Q162 VanDerWaalsContact CD1-CB 3.46Å; F160-Q162 HydrophobicContact CD1-CG 3.8Å; F160-Q162 VanDerWaalsContact CD1-N 3.29Å; F160-Q162 HydrophobicContact CE1-CB 3.34Å; F160-Q162 VanDerWaalsContact CE1-CD 3.45Å; F160-Q162 HydrophobicContact CE1-CG 3.22Å; F160-Q162 HydrophobicContact CZ-CG 4.06Å | ||
| 163 | S | 39.6 | Very low | 41.9 | Very low | 101 Ų | 101 | 162.9 Ų | 162.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 90.9 | 127.4 | 170.7 | -147.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 164 | S | 45.4 | Very low | 41.8 | Very low | 81 Ų | 81 | 166.8 Ų | 166.8 | 57% | 0.566 | 77% | 0.774 | S | S | * | * | cis | -174.5 | 143.6 | 20.4 | -6.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 165 | Y | 46.1 | Very low | 42.4 | Very low | 216 Ų | 216 | 161.6 Ų | 161.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 59 | 123.1 | 147.1 | -55.6 | -66.7 | 0 | 0 | 0 | 117.6 | ||||
| 166 | C | 42.2 | Very low | 42.4 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -154.2 | 126.6 | 32.1 | -63.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 167 | D | 38 | Very low | 43.1 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | 54.7 | 96.2 | 88 | -158.9 | 10.8 | 0 | 0 | 0 | 114.5 | |||||
| 168 | R | 44.7 | Very low | 43.2 | Very low | 230 Ų | 230 | 152.6 Ų | 152.6 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | -178.4 | 118 | 112.5 | -95.1 | 173.6 | -133.9 | -141.9 | 2.6 | 112.6 | |||||
| 169 | R | 42.6 | Very low | 43.5 | Very low | 231 Ų | 231 | 150.1 Ų | 150.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -19.3 | 122.6 | 158.1 | -62 | 168.2 | -176.6 | -138 | -1 | 115.7 | ||||
| 170 | L | 41.8 | Very low | 43.5 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 18.2 | 157.4 | 110 | -81.5 | 175.4 | 0 | 0 | 0 | 118.1 | |||||
| 171 | P | 51.6 | Low | 43.7 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -152.4 | -166 | -0.8 | 35.6 | -10.5 | 0 | 0 | 0 | 116.9 | ||||
| 172 | F | 37.3 | Very low | 44 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | 97.2 | 131.8 | 134.9 | -111.4 | -106.1 | 0 | 0 | 0 | 119.3 | ||||
| 173 | T | 51.4 | Low | 43.9 | Very low | 117 Ų | 117 | 147 Ų | 147 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 146.3 | 156.9 | 71 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 174 | R | 46.9 | Very low | 44.1 | Very low | 233 Ų | 233 | 155.3 Ų | 155.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | cis | 179.1 | 146.9 | -3 | 161.1 | 176 | -175.3 | 174.2 | 2.4 | 106.9 | ||||
| 175 | A | 52.3 | Low | 44.2 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | 83.1 | 135.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 176 | G | 42.2 | Very low | 44.5 | Very low | 70 Ų | 70 | 154.2 Ų | 154.2 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 117.9 | 80 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 177 | R | 51.1 | Low | 45 | Very low | 253 Ų | 253 | 154.5 Ų | 154.5 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | 38.9 | 122.3 | 72 | -76.6 | -164.7 | -85.2 | -151 | -1.6 | 112.1 | |||||
| 178 | G | 40.9 | Very low | 45.6 | Very low | 67 Ų | 67 | 154.6 Ų | 154.6 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | cis | -178 | 157.8 | 5.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | F | 42.3 | Very low | 46.1 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | 43.3 | 113.9 | 137.7 | -88.2 | -94.4 | 0 | 0 | 0 | 121.1 | ||||
| 180 | C | 38 | Very low | 46.6 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -109.2 | 109.7 | 149.1 | -75.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 181 | C | 44.9 | Very low | 47.6 | Very low | 94 Ų | 94 | 153 Ų | 153 | 64% | 0.635 | 84% | 0.835 | S | S | * | * | trans | -115.7 | 111.8 | 156.5 | -77.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 182 | F | 43.5 | Very low | 47.4 | Very low | 225 Ų | 225 | 155.9 Ų | 155.9 | 99% | 0.987 | 85% | 0.847 | S | S | * | * | trans | -166.8 | 136.4 | 159.7 | -87.5 | -77.1 | 0 | 0 | 0 | 104.9 | ||||
| 183 | G | 39.7 | Very low | 47.9 | Very low | 68 Ų | 68 | 154.6 Ų | 154.6 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | cis | 163.6 | 134.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 184 | W | 43.4 | Very low | 47.7 | Very low | 275 Ų | 275 | 156.7 Ų | 156.7 | 100% | 1.042 | 86% | 0.857 | S | S | * | * | trans | -67.8 | 148 | 171.9 | -84.1 | 31.6 | 0 | 0 | 0 | 110.8 | ||||
| 185 | G | 46.7 | Very low | 47.8 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 86% | 0.856 | S | S | * | * | trans | 143.2 | 97.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 186 | Q | 52.4 | Low | 47.5 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 95% | 0.949 | 86% | 0.859 | S | S | * | * | trans | -122.3 | 115.7 | 144.7 | -87.9 | -171.3 | -0.2 | 0 | 0 | 108.5 | ||||
| 187 | V | 53.1 | Low | 47.9 | Very low | 121 Ų | 121 | 161.3 Ų | 161.3 | 73% | 0.733 | 87% | 0.868 | S | S | * | * | trans | -86.7 | 167 | 170 | -168.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 188 | L | 51.8 | Low | 47.6 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 66% | 0.66 | 86% | 0.861 | S | S | * | * | trans | 95.1 | 129.6 | 153.5 | -61.4 | 157.7 | 0 | 0 | 0 | 114.9 | ||||
| 189 | Y | 54.6 | Low | 48.1 | Very low | 204 Ų | 204 | 161.5 Ų | 161.5 | 80% | 0.8 | 88% | 0.875 | S | S | * | * | cis | -150 | 146.7 | 10.8 | -107.2 | -78.6 | 0 | 0 | 0 | 108.9 | ||||
| 190 | K | 52.3 | Low | 48.6 | Very low | 204 Ų | 204 | 158.8 Ų | 158.8 | 89% | 0.887 | 88% | 0.877 | S | S | * | * | trans | -76.2 | 136.7 | 154.9 | -93.2 | 178.5 | 168.3 | -178.3 | 0 | 108.4 | ||||
| 191 | A | 63.2 | Low | 49.6 | Very low | 178 Ų | 178 | 160.7 Ų | 160.7 | 100% | 1.471 | 87% | 0.871 | S | S | * | * | trans | -122.5 | 0 | 148.2 | 0 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 191 of 191 residues in 60.2 ms
(Link to these results)