| 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 | 38.2 | Very low | 69.7 | Low | 221 Ų | 221 | 95.6 Ų | 95.6 | 100% | 1.089 | 50% | 0.499 | S | S | * | . | 0 | 146.8 | 0 | -59.8 | 170.7 | -172.9 | 0 | 0 | 108.1 | I3 | M1-I3 PolarHBondContact O-N 3.19Š| |||
| 2 | M | 39.9 | Very low | 71.8 | Confident | 197 Ų | 197 | 88.3 Ų | 88.3 | 97% | 0.97 | 46% | 0.462 | S | S | * | . | trans | -74.7 | 110.2 | 162.2 | -76 | -175.2 | 174.5 | 0 | 0 | 107.6 | S4 | M2-S4 PolarHBondContact O-N 3.3Š| ||
| 3 | I | 53.3 | Low | 73.5 | Confident | 61 Ų | 61 | 89.5 Ų | 89.5 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | trans | -67.8 | 122 | 171.9 | -57 | 179.2 | 0 | 0 | 0 | 106.5 | M1 T5 Q7 P38 | M1-I3 PolarHBondContact O-N 3.19Å; I3-T5 PolarHBondContact O-N 3.09Å; I3-Q7 HydrophobicContact CG2-CB 4.5Å; I3-P38 HydrophobicContact CG2-CB 4.33Å; I3-P38 HydrophobicContact CG2-CG 3.54Å | ||
| 4 | S | 49.8 | Very low | 75 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | trans | -59.7 | 135.4 | 179.5 | 178 | 0 | 0 | 0 | 0 | 110 | M2 D6 Q7 P38 | M2-S4 PolarHBondContact O-N 3.3Å; S4-D6 PolarHBondContact O-N 2.68Å; S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 3.29Å; S4-Q7 VanDerWaalsContact O-N 3.1Å; S4-P38 WeakPolarHBondContact O-CG 3.27Å | ||
| 5 | T | 65.6 | Low | 76.2 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.4 | 177.9 | 42 | 0 | 0 | 0 | 0 | 112.9 | I3 Y39 | I3-T5 PolarHBondContact O-N 3.09Å; T5-Y39 HydrophobicContact CG2-CD2 4.28Å; T5-Y39 HydrophobicContact CG2-CE2 4.09Å |
| 6 | D | 71.2 | Confident | 77.2 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 0.4 | -173.4 | -68 | -84.8 | 0 | 0 | 0 | 114.4 | S4 E8 Q37 | S4-D6 PolarHBondContact O-N 2.68Å; D6-E8 PolarHBondContact O-N 2.94Å; D6-Q37 PolarHBondContact O-NE2 3.4Å; D6-Q37 PolarHBondContact OD1-NE2 3.37Å |
| 7 | Q | 81.9 | Confident | 77.7 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | trans | -57.8 | 126.8 | 179.4 | -177.7 | 172.4 | -13 | 0 | 0 | 111.5 | I3 S4 L9 Q37 P38 | I3-Q7 HydrophobicContact CG2-CB 4.5Å; S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 3.29Å; S4-Q7 VanDerWaalsContact O-N 3.1Å; Q7-L9 HydrophobicContact CG-CD2 4.1Å; Q7-L9 PolarHBondContact O-N 3.21Å; Q7-Q37 WeakPolarHBondContact O-CA 3.39Å; Q7-P38 VanDerWaalsContact O-CD 3.25Å; Q7-P38 WeakPolarHBondContact O-CD 3.15Å | ||
| 8 | E | 89.9 | Confident | 77.2 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -85.7 | 106.2 | 178.1 | -54 | -159.7 | 169.9 | 0 | 0 | 109.7 | D6 V11 V35 R51 | D6-E8 PolarHBondContact O-N 2.94Å; E8-V11 HydrophobicContact CB-CG2 3.97Å; E8-V11 WeakPolarHBondContact OE2-CG2 3.37Å; E8-V35 HydrophobicContact CB-CG1 3.88Å; E8-V35 VanDerWaalsContact CD-CG1 3.42Å; E8-V35 HydrophobicContact CG-CG1 3.56Å; E8-R51 IonicContact OE1-CZ 3.09Å; E8-R51 IonicContact OE1-NH1 2.9Å; E8-R51 PolarHBondContact OE1-NH1 2.84Å; E8-R51 IonicContact OE1-NH2 3.9Å; E8-R51 PolarHBondContact OE1-NH2 2.94Å; E8-R51 IonicContact OE2-CZ 3.59Å; E8-R51 IonicContact OE2-NH1 2.66Å; E8-R51 IonicContact OE2-NH2 3.4Å; E8-R51 PolarHBondContact OE2-NH2 3.16Å | ||
| 9 | L | 90 | Very high | 76.2 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -84.8 | -31.7 | -173.4 | -57.3 | 169.8 | 0 | 0 | 0 | 112.5 | Q7 L36 P38 Y117 | Q7-L9 HydrophobicContact CG-CD2 4.1Å; Q7-L9 PolarHBondContact O-N 3.21Å; L9-L36 HydrophobicContact CB-CD2 4.39Å; L9-L36 HydrophobicContact CB-CG 4.21Å; L9-L36 WeakPolarHBondContact CB-O 3.28Å; L9-L36 HydrophobicContact CD1-CG 4.36Å; L9-L36 PolarHBondContact N-O 3.02Å; L9-P38 HydrophobicContact CD1-CB 4.27Å; L9-P38 HydrophobicContact CD1-CG 3.92Å; L9-P38 HydrophobicContact CG-CG 4.36Å; L9-Y117 HydrophobicContact CD1-CD1 4.39Å; L9-Y117 HydrophobicContact CD1-CD2 4.1Å; L9-Y117 HydrophobicContact CD1-CE1 3.99Å; L9-Y117 HydrophobicContact CD1-CE2 3.7Å; L9-Y117 HydrophobicContact CD1-CG 4.45Å |
| 10 | K | 92.2 | Very high | 74.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 135.8 | 167.4 | -167 | 175.5 | -176.5 | 84.7 | 0 | 109 | L36 D109 W110 L113 | K10-L36 HydrophobicContact CB-CB 4.3Å; K10-L36 HydrophobicContact CB-CD2 4.49Å; K10-L36 PolarHBondContact O-N 2.95Å; K10-D109 IonicContact NZ-OD2 3.95Å; K10-D109 PolarHBondContact NZ-OD2 3.44Å; K10-W110 HydrophobicContact CB-CZ2 4.34Å; K10-W110 HydrophobicContact CD-CD2 4.35Å; K10-W110 HydrophobicContact CD-CG 4.33Å; K10-W110 HydrophobicContact CD-CZ2 4.43Å; K10-W110 HydrophobicContact CG-CZ2 4.24Å; K10-L113 HydrophobicContact CB-CD1 4.45Å; K10-L113 HydrophobicContact CD-CD1 3.67Å |
| 11 | V | 94.6 | Very high | 73.4 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.9 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 108 | E8 E33 F34 V35 | E8-V11 HydrophobicContact CB-CG2 3.97Å; E8-V11 WeakPolarHBondContact OE2-CG2 3.37Å; V11-E33 HydrophobicContact CG1-CG 3.65Å; V11-F34 WeakPolarHBondContact CA-O 3.39Å; V11-V35 HydrophobicContact CG1-CG2 4.36Å; V11-V35 HydrophobicContact CG2-CG1 4.41Å; V11-V35 HydrophobicContact CG2-CG2 4.38Å |
| 12 | S | 94.7 | Very high | 73.4 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139 | 178 | -78 | 0 | 0 | 0 | 0 | 111.2 | M14 F34 E106 W110 | S12-M14 PolarHBondContact O-N 2.9Å; S12-F34 PolarHBondContact N-O 2.68Å; S12-F34 PolarHBondContact O-N 3.23Å; S12-E106 WeakPolarHBondContact CB-OE1 3.19Å; S12-E106 PolarHBondContact OG-OE1 3.42Å; S12-W110 PolarHBondContact OG-NE1 2.83Å |
| 13 | R | 94 | Very high | 73.4 | Confident | 103 Ų | 103 | 59 Ų | 59 | 39% | 0.389 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 98.4 | 172.8 | -69.9 | 177.2 | 177.7 | -171.4 | -5.8 | 108.6 | L31 R32 E33 G49 N102 | R13-L31 HydrophobicContact CB-CD1 4.28Å; R13-R32 WeakPolarHBondContact CA-O 3.42Å; R13-E33 HydrophobicContact CG-CB 4.25Å; R13-E33 HydrophobicContact CG-CG 4.15Å; R13-E33 IonicContact CZ-OE2 3.48Å; R13-E33 IonicContact NE-OE2 3.89Å; R13-E33 PolarHBondContact NE-OE2 2.74Å; R13-E33 IonicContact NH2-OE2 3.49Å; R13-E33 PolarHBondContact NH2-OE2 3.02Å; R13-G49 PolarHBondContact NH1-O 2.87Å; R13-G49 PolarHBondContact NH2-O 3.47Å; R13-N102 PolarHBondContact O-ND2 3.27Å |
| 14 | M | 95.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 157.7 | -173.8 | -63 | -175.7 | -70.3 | 0 | 0 | 111.1 | S12 K16 R32 F34 F81 I99 V100 A101 E106 W110 | S12-M14 PolarHBondContact O-N 2.9Å; M14-K16 PolarHBondContact O-N 2.92Å; M14-R32 PolarHBondContact N-O 3.03Å; M14-R32 PolarHBondContact O-N 2.67Å; M14-R32 VanDerWaalsContact O-O 3.12Å; M14-F34 HydrophobicContact CB-CD2 3.86Å; M14-F34 HydrophobicContact CB-CE2 3.98Å; M14-F34 HydrophobicContact CE-CB 3.79Å; M14-F34 HydrophobicContact CE-CD2 3.8Å; M14-F34 HydrophobicContact CE-CE2 4.49Å; M14-F34 HydrophobicContact CE-CG 3.82Å; M14-F81 HydrophobicContact CE-CE1 4.37Å; M14-F81 HydrophobicContact CE-CZ 3.98Å; M14-F81 HydrophobicContact SD-CE1 3.82Å; M14-F81 HydrophobicContact SD-CZ 4.04Å; M14-I99 HydrophobicContact CB-CG2 3.69Å; M14-I99 HydrophobicContact CE-CG2 4Å; M14-I99 HydrophobicContact CG-CG2 4.44Å; M14-I99 HydrophobicContact SD-CG2 3.96Å; M14-V100 WeakPolarHBondContact CB-O 3.44Å; M14-A101 HydrophobicContact SD-CB 3.98Å; M14-E106 HydrophobicContact SD-CG 4.36Å; M14-W110 HydrophobicContact CE-CD2 3.67Å; M14-W110 VanDerWaalsContact CE-CE2 3.41Å; M14-W110 HydrophobicContact CE-CE3 4.26Å; M14-W110 HydrophobicContact CE-CG 3.98Å; M14-W110 HydrophobicContact CE-CH2 4.37Å; M14-W110 HydrophobicContact CE-CZ2 3.81Å; M14-W110 HydrophobicContact SD-CG 4.28Å |
| 15 | T | 92.9 | Very high | 72.1 | Confident | 43 Ų | 43 | 57 Ų | 57 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 110.3 | -176.3 | -54 | 0 | 0 | 0 | 0 | 110.3 | Y29 V100 | T15-Y29 HydrophobicContact CG2-CD1 3.84Å; T15-Y29 HydrophobicContact CG2-CG 4.18Å; T15-V100 PolarHBondContact N-O 2.81Å; T15-V100 PolarHBondContact O-N 2.91Å |
| 16 | K | 91.9 | Very high | 71.2 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.7 | 178.6 | -171.1 | -175.6 | -177 | -50.5 | 0 | 109.8 | M14 S18 Y29 K30 R32 F34 Y43 L97 | M14-K16 PolarHBondContact O-N 2.92Å; K16-S18 PolarHBondContact O-N 3.38Å; K16-Y29 WeakPolarHBondContact O-CA 3.25Å; K16-K30 PolarHBondContact N-O 2.77Å; K16-K30 PolarHBondContact O-N 3.27Å; K16-R32 HydrophobicContact CB-CB 4.47Å; K16-R32 HydrophobicContact CB-CG 3.9Å; K16-R32 HydrophobicContact CD-CG 4.16Å; K16-F34 HydrophobicContact CB-CE2 4.17Å; K16-F34 HydrophobicContact CB-CZ 3.86Å; K16-F34 HydrophobicContact CD-CZ 4.22Å; K16-F34 HydrophobicContact CG-CZ 4.02Å; K16-Y43 HydrophobicContact CD-CD2 3.97Å; K16-Y43 HydrophobicContact CD-CE2 3.8Å; K16-Y43 VanDerWaalsContact CE-CZ 3.42Å; K16-L97 HydrophobicContact CD-CD1 4.05Å; K16-L97 HydrophobicContact CG-CD1 3.76Å; K16-L97 VanDerWaalsContact NZ-CD1 3.27Å |
| 17 | R | 85.8 | Confident | 70.4 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.4 | 163.2 | -163.2 | 178.7 | -178.4 | 155.9 | 2.8 | 107.8 | Q19 D27 Y29 L74 D75 Y98 | R17-Q19 PolarHBondContact O-N 3.4Å; R17-D27 IonicContact CZ-OD1 3.21Å; R17-D27 IonicContact CZ-OD2 3.25Å; R17-D27 IonicContact NE-OD1 3.5Å; R17-D27 PolarHBondContact NE-OD1 3.03Å; R17-D27 IonicContact NH2-OD1 3.79Å; R17-D27 PolarHBondContact NH2-OD1 2.96Å; R17-D27 IonicContact NH2-OD2 3.26Å; R17-D27 PolarHBondContact NH2-OD2 3.31Å; R17-Y29 HydrophobicContact CB-CD1 4.2Å; R17-Y29 HydrophobicContact CB-CE1 3.71Å; R17-Y29 WeakPolarHBondContact CD-OH 3.47Å; R17-Y29 HydrophobicContact CG-CE1 3.9Å; R17-Y29 HydrophobicContact CG-CE2 4.42Å; R17-L74 VanDerWaalsContact NH1-CD1 3.33Å; R17-D75 VanDerWaalsContact CZ-CG 3.46Å; R17-D75 IonicContact CZ-OD1 2.79Å; R17-D75 IonicContact CZ-OD2 2.72Å; R17-D75 IonicContact NE-OD2 2.76Å; R17-D75 VanDerWaalsContact NH1-CG 3.28Å; R17-D75 IonicContact NH1-OD1 3.27Å; R17-D75 PolarHBondContact NH1-OD1 3.11Å; R17-D75 IonicContact NH1-OD2 2.63Å; R17-D75 PolarHBondContact NH1-OD2 2.85Å; R17-D75 VanDerWaalsContact NH1-OD2 3.08Å; R17-D75 VanDerWaalsContact NH2-CG 3.31Å; R17-D75 IonicContact NH2-OD1 2.64Å; R17-D75 PolarHBondContact NH2-OD1 3.33Å; R17-D75 IonicContact NH2-OD2 3.76Å; R17-D75 PolarHBondContact NH2-OD2 3.11Å; R17-D75 VanDerWaalsContact NH2-OD2 3.08Å; R17-Y98 PolarHBondContact N-O 3.47Å |
| 18 | S | 68.3 | Low | 69.7 | Low | 39 Ų | 39 | 60 Ų | 60 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 131.9 | 169 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | K16 N20 N28 | K16-S18 PolarHBondContact O-N 3.38Å; S18-N20 VanDerWaalsContact CB-OD1 3.25Å; S18-N20 WeakPolarHBondContact CB-OD1 3.5Å; S18-N20 PolarHBondContact O-N 3.31Å; S18-N20 PolarHBondContact OG-OD1 2.85Å; S18-N28 VanDerWaalsContact CB-CB 3.43Å; S18-N28 WeakPolarHBondContact CB-O 3.47Å; S18-N28 PolarHBondContact N-O 3.12Å |
| 19 | Q | 58.7 | Low | 69.4 | Low | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | trans | -71 | 87.7 | 159.6 | -82.7 | 172.5 | -15.3 | 0 | 0 | 105.3 | R17 K21 Y85 L96 | R17-Q19 PolarHBondContact O-N 3.4Å; Q19-K21 VanDerWaalsContact C-N 3.27Å; Q19-K21 PolarHBondContact O-N 3.35Å; Q19-Y85 PolarHBondContact NE2-OH 3.16Å; Q19-Y85 PolarHBondContact OE1-OH 2.97Å; Q19-L96 WeakPolarHBondContact CG-O 3.11Å; Q19-L96 PolarHBondContact NE2-O 3.36Å | ||
| 20 | N | 48.2 | Very low | 69.3 | Low | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | trans | -68.6 | 87.2 | -167.4 | -105.6 | -2.8 | 0 | 0 | 0 | 109.7 | S18 K22 G25 R136 | S18-N20 VanDerWaalsContact CB-OD1 3.25Å; S18-N20 WeakPolarHBondContact CB-OD1 3.5Å; S18-N20 PolarHBondContact O-N 3.31Å; S18-N20 PolarHBondContact OG-OD1 2.85Å; N20-K22 CarbonylContact C-O 3.47Å; N20-K22 VanDerWaalsContact C-O 3.24Å; N20-K22 WeakPolarHBondContact CB-O 3.42Å; N20-K22 PolarHBondContact O-N 3.01Å; N20-G25 PolarHBondContact ND2-O 2.8Å; N20-R136 PolarHBondContact O-NH2 3.45Å; N20-R136 VanDerWaalsContact O-NH2 3.11Å | ||
| 21 | K | 44.9 | Very low | 69.2 | Low | 177 Ų | 177 | 62.5 Ų | 62.5 | 77% | 0.77 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -66.4 | -13.7 | 166.9 | -68.2 | -165.7 | 177.4 | -167.7 | 0 | 111.8 | Q19 R787 | Q19-K21 VanDerWaalsContact C-N 3.27Å; Q19-K21 PolarHBondContact O-N 3.35Å; K21-R787 PolarHBondContact O-NH1 3.47Å; K21-R787 PolarHBondContact O-NH2 3.18Å |
| 22 | K | 39.5 | Very low | 69.2 | Low | 79 Ų | 79 | 60.6 Ų | 60.6 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -95 | 149.7 | 160.1 | -50.5 | -167.8 | -171.9 | 179.5 | 0 | 108.9 | N20 R136 D678 E681 | N20-K22 CarbonylContact C-O 3.47Å; N20-K22 VanDerWaalsContact C-O 3.24Å; N20-K22 WeakPolarHBondContact CB-O 3.42Å; N20-K22 PolarHBondContact O-N 3.01Å; K22-R136 PolarHBondContact O-NH2 3.36Å; K22-D678 HydrophobicContact CD-CB 4.47Å; K22-D678 WeakPolarHBondContact CD-OD1 3.35Å; K22-D678 WeakPolarHBondContact CE-OD1 3.36Å; K22-D678 IonicContact NZ-OD1 3.23Å; K22-D678 PolarHBondContact NZ-OD1 2.86Å; K22-D678 IonicContact NZ-OD2 3.12Å; K22-D678 PolarHBondContact NZ-OD2 3.28Å; K22-E681 WeakPolarHBondContact CB-OE2 3.21Å |
| 23 | L | 38.2 | Very low | 69.2 | Low | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -84.8 | -11.9 | -154 | -137.1 | 67 | 0 | 0 | 0 | 117.8 | R136 E681 E682 N685 | L23-R136 WeakPolarHBondContact O-CD 3.35Å; L23-R136 PolarHBondContact O-NE 3.47Å; L23-R136 PolarHBondContact O-NH1 3.29Å; L23-R136 PolarHBondContact O-NH2 2.79Å; L23-E681 HydrophobicContact CB-CG 3.81Å; L23-E681 PolarHBondContact N-OE2 3.29Å; L23-E682 HydrophobicContact CB-CB 4.23Å; L23-E682 HydrophobicContact CB-CG 4.18Å; L23-E682 HydrophobicContact CD2-CB 4.38Å; L23-E682 HydrophobicContact CD2-CG 4.09Å; L23-E682 WeakPolarHBondContact CD2-O 3.49Å; L23-N685 HydrophobicContact CD2-CB 3.45Å; L23-N685 VanDerWaalsContact CD2-CB 3.45Å; L23-N685 VanDerWaalsContact CD2-CG 3.43Å; L23-N685 HydrophobicContact CG-CB 4.13Å; L23-N685 WeakPolarHBondContact CG-ND2 3.3Å |
| 24 | F | 38 | Very low | 69.4 | Low | 79 Ų | 79 | 55.8 Ų | 55.8 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -151.4 | -8.9 | -177.6 | -78.8 | -102.3 | 0 | 0 | 0 | 113.1 | R26 E681 K684 | F24-R26 PolarHBondContact O-N 3.03Å; F24-E681 HydrophobicContact CB-CB 3.76Å; F24-E681 HydrophobicContact CB-CG 3.71Å; F24-E681 HydrophobicContact CD2-CB 4.22Å; F24-E681 HydrophobicContact CD2-CG 4.21Å; F24-E681 WeakPolarHBondContact CD2-O 3.19Å; F24-E681 HydrophobicContact CG-CB 4.35Å; F24-E681 HydrophobicContact CG-CG 4.45Å; F24-E681 PolarHBondContact N-OE2 2.66Å; F24-K684 HydrophobicContact CD2-CB 4.03Å; F24-K684 HydrophobicContact CE1-CD 4.1Å; F24-K684 HydrophobicContact CE2-CB 3.2Å; F24-K684 HydrophobicContact CE2-CD 4.16Å; F24-K684 HydrophobicContact CE2-CG 4.21Å; F24-K684 HydrophobicContact CZ-CB 3.52Å; F24-K684 HydrophobicContact CZ-CD 3.88Å; F24-K684 HydrophobicContact CZ-CG 4.22Å |
| 25 | G | 39.4 | Very low | 69.4 | Low | 9 Ų | 9 | 55.9 Ų | 55.9 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | trans | -62.2 | 119.1 | -155.3 | 0 | 0 | 0 | 0 | 0 | 113 | N20 D27 E681 | N20-G25 PolarHBondContact ND2-O 2.8Å; G25-D27 WeakPolarHBondContact O-CA 3.36Å; G25-D27 PolarHBondContact O-N 3.35Å; G25-E681 WeakPolarHBondContact CA-OE1 3.37Å; G25-E681 WeakPolarHBondContact CA-OE2 3.09Å; G25-E681 PolarHBondContact N-OE1 3.42Å; G25-E681 PolarHBondContact N-OE2 3.1Å | ||
| 26 | R | 45.7 | Very low | 69.5 | Low | 217 Ų | 217 | 53.8 Ų | 53.8 | 82% | 0.819 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -18.8 | 108.3 | -170.4 | -75.9 | -167.6 | -173.7 | -168.1 | 3.8 | 110.7 | F24 N28 | F24-R26 PolarHBondContact O-N 3.03Å; R26-N28 WeakPolarHBondContact O-CA 3.43Å; R26-N28 PolarHBondContact O-N 3.49Å; R26-N28 PolarHBondContact O-ND2 2.79Å |
| 27 | D | 54.1 | Low | 69.5 | Low | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44 | 109.8 | -154.7 | -92.8 | -69.4 | 0 | 0 | 0 | 112.8 | R17 G25 Y29 | R17-D27 IonicContact CZ-OD1 3.21Å; R17-D27 IonicContact CZ-OD2 3.25Å; R17-D27 IonicContact NE-OD1 3.5Å; R17-D27 PolarHBondContact NE-OD1 3.03Å; R17-D27 IonicContact NH2-OD1 3.79Å; R17-D27 PolarHBondContact NH2-OD1 2.96Å; R17-D27 IonicContact NH2-OD2 3.26Å; R17-D27 PolarHBondContact NH2-OD2 3.31Å; G25-D27 WeakPolarHBondContact O-CA 3.36Å; G25-D27 PolarHBondContact O-N 3.35Å; D27-Y29 HydrophobicContact CB-CD2 4.13Å; D27-Y29 HydrophobicContact CB-CE2 3.67Å; D27-Y29 WeakPolarHBondContact O-CD2 3.45Å; D27-Y29 PolarHBondContact O-N 2.88Å |
| 28 | N | 67.9 | Low | 69.5 | Low | 59 Ų | 59 | 52.2 Ų | 52.2 | 32% | 0.316 | 24% | 0.239 | S | C | . | . | trans | -82.3 | 71.3 | -157.2 | -112.3 | -111.3 | 0 | 0 | 0 | 109.4 | S18 R26 K30 | S18-N28 VanDerWaalsContact CB-CB 3.43Å; S18-N28 WeakPolarHBondContact CB-O 3.47Å; S18-N28 PolarHBondContact N-O 3.12Å; R26-N28 WeakPolarHBondContact O-CA 3.43Å; R26-N28 PolarHBondContact O-N 3.49Å; R26-N28 PolarHBondContact O-ND2 2.79Å; N28-K30 PolarHBondContact O-N 2.99Å; N28-K30 WeakPolarHBondContact OD1-CE 3.31Å; N28-K30 PolarHBondContact OD1-NZ 2.84Å; N28-K30 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 29 | Y | 83.1 | Confident | 70.6 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 119.5 | 170.3 | -74.4 | -74.1 | 0 | 0 | 0 | 109 | T15 K16 R17 D27 L74 D75 K77 V100 | T15-Y29 HydrophobicContact CG2-CD1 3.84Å; T15-Y29 HydrophobicContact CG2-CG 4.18Å; K16-Y29 WeakPolarHBondContact O-CA 3.25Å; R17-Y29 HydrophobicContact CB-CD1 4.2Å; R17-Y29 HydrophobicContact CB-CE1 3.71Å; R17-Y29 WeakPolarHBondContact CD-OH 3.47Å; R17-Y29 HydrophobicContact CG-CE1 3.9Å; R17-Y29 HydrophobicContact CG-CE2 4.42Å; D27-Y29 HydrophobicContact CB-CD2 4.13Å; D27-Y29 HydrophobicContact CB-CE2 3.67Å; D27-Y29 WeakPolarHBondContact O-CD2 3.45Å; D27-Y29 PolarHBondContact O-N 2.88Å; Y29-L74 PolarHBondContact OH-O 2.76Å; Y29-D75 VanDerWaalsContact CE2-OD2 3.24Å; Y29-D75 WeakPolarHBondContact CE2-OD2 3.48Å; Y29-D75 VanDerWaalsContact CZ-OD2 3.29Å; Y29-D75 PolarHBondContact OH-OD2 2.61Å; Y29-K77 HydrophobicContact CD1-CD 4.2Å; Y29-K77 HydrophobicContact CE1-CD 3.73Å; Y29-K77 HydrophobicContact CE2-CD 4.11Å; Y29-K77 VanDerWaalsContact CE2-CE 3.42Å; Y29-K77 VanDerWaalsContact CE2-NZ 3.31Å; Y29-V100 HydrophobicContact CE1-CG2 4.27Å |
| 30 | K | 87.6 | Confident | 72.2 | Confident | 96 Ų | 96 | 53.6 Ų | 53.6 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.6 | 178.8 | -59.3 | -166.8 | -177.5 | -167.2 | 0 | 109 | K16 N28 R32 | K16-K30 PolarHBondContact N-O 2.77Å; K16-K30 PolarHBondContact O-N 3.27Å; N28-K30 PolarHBondContact O-N 2.99Å; N28-K30 WeakPolarHBondContact OD1-CE 3.31Å; N28-K30 PolarHBondContact OD1-NZ 2.84Å; N28-K30 VanDerWaalsContact OD1-NZ 3.13Å; K30-R32 PolarHBondContact O-N 3.4Å |
| 31 | L | 90.5 | Very high | 74.4 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132.8 | 171.3 | -172.3 | 65 | 0 | 0 | 0 | 109 | R13 V46 | R13-L31 HydrophobicContact CB-CD1 4.28Å; L31-V46 HydrophobicContact CD2-CB 4.33Å; L31-V46 HydrophobicContact CD2-CG1 4.29Å; L31-V46 HydrophobicContact CD2-CG2 4.44Å; L31-V46 HydrophobicContact CG-CG2 4.24Å |
| 32 | R | 94.6 | Very high | 76.8 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.6 | 176.7 | -66 | -64.6 | 174.3 | -121.1 | 23.3 | 109.1 | R13 M14 K16 K30 F34 Y43 F44 E45 | R13-R32 WeakPolarHBondContact CA-O 3.42Å; M14-R32 PolarHBondContact N-O 3.03Å; M14-R32 PolarHBondContact O-N 2.67Å; M14-R32 VanDerWaalsContact O-O 3.12Å; K16-R32 HydrophobicContact CB-CB 4.47Å; K16-R32 HydrophobicContact CB-CG 3.9Å; K16-R32 HydrophobicContact CD-CG 4.16Å; K30-R32 PolarHBondContact O-N 3.4Å; R32-F34 HydrophobicContact CB-CD2 4.02Å; R32-F34 HydrophobicContact CB-CE2 3.69Å; R32-F34 HydrophobicContact CB-CZ 4.29Å; R32-F34 PolarHBondContact O-N 3.31Å; R32-Y43 HydrophobicContact CG-CD2 4.2Å; R32-F44 WeakPolarHBondContact CA-O 3.42Å; R32-F44 WeakPolarHBondContact CD-O 3.45Å; R32-E45 IonicContact CZ-OE1 3.57Å; R32-E45 IonicContact NH1-OE1 3.53Å; R32-E45 PolarHBondContact NH1-OE1 2.77Å; R32-E45 IonicContact NH2-OE1 2.8Å; R32-E45 PolarHBondContact NH2-OE1 2.73Å |
| 33 | E | 95.6 | Very high | 79.4 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 111 | 164.8 | -168.8 | 168.1 | 105 | 0 | 0 | 107 | V11 R13 Y43 F44 V46 R51 | V11-E33 HydrophobicContact CG1-CG 3.65Å; R13-E33 HydrophobicContact CG-CB 4.25Å; R13-E33 HydrophobicContact CG-CG 4.15Å; R13-E33 IonicContact CZ-OE2 3.48Å; R13-E33 IonicContact NE-OE2 3.89Å; R13-E33 PolarHBondContact NE-OE2 2.74Å; R13-E33 IonicContact NH2-OE2 3.49Å; R13-E33 PolarHBondContact NH2-OE2 3.02Å; E33-Y43 WeakPolarHBondContact O-CA 3.17Å; E33-F44 PolarHBondContact N-O 2.76Å; E33-F44 PolarHBondContact O-N 2.74Å; E33-V46 HydrophobicContact CB-CG2 4.05Å; E33-R51 IonicContact OE1-CZ 2.67Å; E33-R51 VanDerWaalsContact OE1-CZ 3.31Å; E33-R51 IonicContact OE1-NE 3.31Å; E33-R51 PolarHBondContact OE1-NE 3.31Å; E33-R51 IonicContact OE1-NH2 3.47Å; E33-R51 PolarHBondContact OE1-NH2 3.02Å |
| 34 | F | 96.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.5 | 174.8 | -73.2 | -96 | 0 | 0 | 0 | 108.8 | V11 S12 M14 K16 R32 I41 R42 Y43 I99 W110 | V11-F34 WeakPolarHBondContact CA-O 3.39Å; S12-F34 PolarHBondContact N-O 2.68Å; S12-F34 PolarHBondContact O-N 3.23Å; M14-F34 HydrophobicContact CB-CD2 3.86Å; M14-F34 HydrophobicContact CB-CE2 3.98Å; M14-F34 HydrophobicContact CE-CB 3.79Å; M14-F34 HydrophobicContact CE-CD2 3.8Å; M14-F34 HydrophobicContact CE-CE2 4.49Å; M14-F34 HydrophobicContact CE-CG 3.82Å; K16-F34 HydrophobicContact CB-CE2 4.17Å; K16-F34 HydrophobicContact CB-CZ 3.86Å; K16-F34 HydrophobicContact CD-CZ 4.22Å; K16-F34 HydrophobicContact CG-CZ 4.02Å; R32-F34 HydrophobicContact CB-CD2 4.02Å; R32-F34 HydrophobicContact CB-CE2 3.69Å; R32-F34 HydrophobicContact CB-CZ 4.29Å; R32-F34 PolarHBondContact O-N 3.31Å; F34-I41 HydrophobicContact CB-CG2 4.49Å; F34-I41 HydrophobicContact CD1-CG2 3.99Å; F34-R42 WeakPolarHBondContact CA-O 3.32Å; F34-Y43 HydrophobicContact CD1-CD1 4.43Å; F34-Y43 HydrophobicContact CD1-CG 4.34Å; F34-Y43 HydrophobicContact CE1-CD1 4.01Å; F34-Y43 HydrophobicContact CE1-CG 4.01Å; F34-I99 HydrophobicContact CD1-CD1 4.15Å; F34-I99 HydrophobicContact CE1-CD1 3.47Å; F34-I99 VanDerWaalsContact CE1-CD1 3.47Å; F34-I99 HydrophobicContact CE1-CG1 4.12Å; F34-I99 HydrophobicContact CE2-CD1 4.47Å; F34-I99 HydrophobicContact CE2-CG2 3.98Å; F34-I99 HydrophobicContact CZ-CD1 3.65Å; F34-I99 HydrophobicContact CZ-CG1 3.78Å; F34-I99 HydrophobicContact CZ-CG2 4.07Å; F34-W110 HydrophobicContact CB-CH2 3.7Å; F34-W110 HydrophobicContact CB-CZ2 3.93Å; F34-W110 HydrophobicContact CB-CZ3 4.44Å |
| 35 | V | 96.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 118.2 | 176.9 | -177 | 0 | 0 | 0 | 0 | 107.7 | E8 V11 Q37 I41 R42 F44 | E8-V35 HydrophobicContact CB-CG1 3.88Å; E8-V35 VanDerWaalsContact CD-CG1 3.42Å; E8-V35 HydrophobicContact CG-CG1 3.56Å; V11-V35 HydrophobicContact CG1-CG2 4.36Å; V11-V35 HydrophobicContact CG2-CG1 4.41Å; V11-V35 HydrophobicContact CG2-CG2 4.38Å; V35-Q37 HydrophobicContact CG1-CG 3.88Å; V35-I41 WeakPolarHBondContact O-CA 3.44Å; V35-R42 PolarHBondContact N-O 2.96Å; V35-R42 PolarHBondContact O-N 2.69Å; V35-F44 HydrophobicContact CB-CE2 4.2Å; V35-F44 HydrophobicContact CG2-CD2 3.96Å; V35-F44 HydrophobicContact CG2-CE2 3.68Å |
| 36 | L | 95 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.7 | 167.5 | 178.7 | 61.2 | 0 | 0 | 0 | 107.8 | L9 K10 I41 L60 W110 L113 V114 Y117 | L9-L36 HydrophobicContact CB-CD2 4.39Å; L9-L36 HydrophobicContact CB-CG 4.21Å; L9-L36 WeakPolarHBondContact CB-O 3.28Å; L9-L36 HydrophobicContact CD1-CG 4.36Å; L9-L36 PolarHBondContact N-O 3.02Å; K10-L36 HydrophobicContact CB-CB 4.3Å; K10-L36 HydrophobicContact CB-CD2 4.49Å; K10-L36 PolarHBondContact O-N 2.95Å; L36-I41 HydrophobicContact CD1-CG1 4.04Å; L36-L60 HydrophobicContact CD1-CD1 4.13Å; L36-L60 HydrophobicContact CD1-CD2 4.42Å; L36-W110 HydrophobicContact CB-CH2 3.77Å; L36-W110 HydrophobicContact CB-CZ3 3.78Å; L36-L113 HydrophobicContact CD2-CB 3.87Å; L36-V114 HydrophobicContact CD1-CG2 4.16Å; L36-Y117 HydrophobicContact CD2-CD2 4.09Å; L36-Y117 HydrophobicContact CD2-CE2 4.33Å |
| 37 | Q | 91.4 | Very high | 88.4 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 162.1 | 166.9 | -64.6 | -175.3 | -56.6 | 0 | 0 | 108.5 | D6 Q7 V35 Y39 C40 | D6-Q37 PolarHBondContact O-NE2 3.4Å; D6-Q37 PolarHBondContact OD1-NE2 3.37Å; Q7-Q37 WeakPolarHBondContact O-CA 3.39Å; V35-Q37 HydrophobicContact CG1-CG 3.88Å; Q37-Y39 PolarHBondContact O-N 3.12Å; Q37-C40 PolarHBondContact N-O 3.41Å; Q37-C40 PolarHBondContact O-N 3.16Å |
| 38 | P | 86.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -37.9 | -174.1 | -29.4 | 32 | 0 | 0 | 0 | 114.5 | I3 S4 Q7 L9 L60 R121 | I3-P38 HydrophobicContact CG2-CB 4.33Å; I3-P38 HydrophobicContact CG2-CG 3.54Å; S4-P38 WeakPolarHBondContact O-CG 3.27Å; Q7-P38 VanDerWaalsContact O-CD 3.25Å; Q7-P38 WeakPolarHBondContact O-CD 3.15Å; L9-P38 HydrophobicContact CD1-CB 4.27Å; L9-P38 HydrophobicContact CD1-CG 3.92Å; L9-P38 HydrophobicContact CG-CG 4.36Å; P38-L60 WeakPolarHBondContact O-CD1 3.42Å; P38-R121 WeakPolarHBondContact O-CD 3.24Å; P38-R121 PolarHBondContact O-NE 2.89Å; P38-R121 PolarHBondContact O-NH2 2.9Å |
| 39 | Y | 90.5 | Very high | 89.6 | Confident | 115 Ų | 115 | 36.9 Ų | 36.9 | 45% | 0.451 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -8.2 | -174.5 | -60 | -80.2 | 0 | 0 | 0 | 114.8 | T5 Q37 L60 R121 | T5-Y39 HydrophobicContact CG2-CD2 4.28Å; T5-Y39 HydrophobicContact CG2-CE2 4.09Å; Q37-Y39 PolarHBondContact O-N 3.12Å; Y39-L60 PolarHBondContact O-N 2.94Å; Y39-R121 HydrophobicContact CD1-CG 4.43Å |
| 40 | C | 92.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 159.8 | -175.5 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | Q37 Q57 L58 L59 | Q37-C40 PolarHBondContact N-O 3.41Å; Q37-C40 PolarHBondContact O-N 3.16Å; C40-Q57 HydrophobicContact CB-CG 3.74Å; C40-L58 CarbonylContact C-O 3.54Å; C40-L58 WeakPolarHBondContact CA-O 3.36Å; C40-L58 WeakPolarHBondContact CB-O 3.21Å; C40-L59 HydrophobicContact CB-CD2 4.31Å |
| 41 | I | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.7 | 158.9 | -42.6 | 178.8 | 0 | 0 | 0 | 107.6 | F34 V35 L36 Q57 L58 L60 W110 V114 | F34-I41 HydrophobicContact CB-CG2 4.49Å; F34-I41 HydrophobicContact CD1-CG2 3.99Å; V35-I41 WeakPolarHBondContact O-CA 3.44Å; L36-I41 HydrophobicContact CD1-CG1 4.04Å; I41-Q57 CarbonylContact O-C 3.56Å; I41-Q57 WeakPolarHBondContact O-CA 3.35Å; I41-L58 HydrophobicContact CB-CD1 4.19Å; I41-L58 HydrophobicContact CB-CD2 4.24Å; I41-L58 HydrophobicContact CB-CG 3.97Å; I41-L58 HydrophobicContact CD1-CD1 4.01Å; I41-L58 HydrophobicContact CG1-CD1 3.97Å; I41-L58 HydrophobicContact CG1-CG 4.32Å; I41-L58 PolarHBondContact N-O 2.87Å; I41-L58 PolarHBondContact O-N 3.25Å; I41-L60 HydrophobicContact CD1-CD2 4.41Å; I41-L60 HydrophobicContact CG1-CD2 3.8Å; I41-W110 HydrophobicContact CD1-CE3 4.48Å; I41-W110 HydrophobicContact CD1-CZ3 4.12Å; I41-W110 HydrophobicContact CG1-CZ3 4.42Å; I41-W110 HydrophobicContact CG2-CH2 4.16Å; I41-W110 HydrophobicContact CG2-CZ3 3.76Å; I41-V114 HydrophobicContact CD1-CG1 4.22Å; I41-V114 HydrophobicContact CD1-CG2 3.62Å; I41-V114 HydrophobicContact CG1-CG2 4.38Å |
| 42 | R | 94.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 37.4 Ų | 37.4 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.7 | 171.3 | -64.8 | 172.2 | 80.9 | 177.8 | 3.9 | 109.1 | F34 V35 F44 E54 Q57 | F34-R42 WeakPolarHBondContact CA-O 3.32Å; V35-R42 PolarHBondContact N-O 2.96Å; V35-R42 PolarHBondContact O-N 2.69Å; R42-F44 HydrophobicContact CB-CE2 3.82Å; R42-F44 HydrophobicContact CB-CZ 4.04Å; R42-E54 WeakPolarHBondContact CG-OE1 3.46Å; R42-E54 IonicContact CZ-OE1 2.77Å; R42-E54 IonicContact CZ-OE2 2.73Å; R42-E54 IonicContact NE-OE1 2.76Å; R42-E54 PolarHBondContact NE-OE1 2.65Å; R42-E54 IonicContact NE-OE2 3.18Å; R42-E54 IonicContact NH2-OE1 3.63Å; R42-E54 IonicContact NH2-OE2 3.03Å; R42-E54 PolarHBondContact NH2-OE2 3.5Å; R42-Q57 HydrophobicContact CG-CB 4Å; R42-Q57 HydrophobicContact CG-CG 3.77Å |
| 43 | Y | 94.5 | Very high | 89.2 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 129.8 | 177.1 | 63 | -96.7 | 0 | 0 | 0 | 113 | K16 R32 E33 F34 K55 G56 | K16-Y43 HydrophobicContact CD-CD2 3.97Å; K16-Y43 HydrophobicContact CD-CE2 3.8Å; K16-Y43 VanDerWaalsContact CE-CZ 3.42Å; R32-Y43 HydrophobicContact CG-CD2 4.2Å; E33-Y43 WeakPolarHBondContact O-CA 3.17Å; F34-Y43 HydrophobicContact CD1-CD1 4.43Å; F34-Y43 HydrophobicContact CD1-CG 4.34Å; F34-Y43 HydrophobicContact CE1-CD1 4.01Å; F34-Y43 HydrophobicContact CE1-CG 4.01Å; Y43-K55 HydrophobicContact CD2-CB 3.82Å; Y43-K55 HydrophobicContact CE2-CB 3.57Å; Y43-K55 WeakPolarHBondContact CE2-O 3.41Å; Y43-K55 VanDerWaalsContact CZ-O 3.29Å; Y43-K55 PolarHBondContact O-N 3.38Å; Y43-K55 PolarHBondContact OH-O 2.76Å; Y43-G56 WeakPolarHBondContact CD1-O 3.32Å; Y43-G56 PolarHBondContact N-O 3.04Å |
| 44 | F | 94.7 | Very high | 89.1 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.3 | -170 | -59 | -91.7 | 0 | 0 | 0 | 111.2 | R32 E33 V35 R42 R51 E54 | R32-F44 WeakPolarHBondContact CA-O 3.42Å; R32-F44 WeakPolarHBondContact CD-O 3.45Å; E33-F44 PolarHBondContact N-O 2.76Å; E33-F44 PolarHBondContact O-N 2.74Å; V35-F44 HydrophobicContact CB-CE2 4.2Å; V35-F44 HydrophobicContact CG2-CD2 3.96Å; V35-F44 HydrophobicContact CG2-CE2 3.68Å; R42-F44 HydrophobicContact CB-CE2 3.82Å; R42-F44 HydrophobicContact CB-CZ 4.04Å; F44-R51 HydrophobicContact CB-CG 3.58Å; F44-R51 HydrophobicContact CD1-CG 3.93Å; F44-R51 HydrophobicContact CD2-CG 4.13Å; F44-R51 HydrophobicContact CG-CG 3.61Å; F44-E54 HydrophobicContact CD1-CB 3.86Å; F44-E54 HydrophobicContact CD1-CG 4.44Å; F44-E54 HydrophobicContact CE1-CB 3.79Å; F44-E54 HydrophobicContact CE1-CG 4.19Å |
| 45 | E | 90.9 | Very high | 88.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 152 | 164.4 | -157 | 127.2 | -96.2 | 0 | 0 | 110.6 | R32 G52 K53 K55 | R32-E45 IonicContact CZ-OE1 3.57Å; R32-E45 IonicContact NH1-OE1 3.53Å; R32-E45 PolarHBondContact NH1-OE1 2.77Å; R32-E45 IonicContact NH2-OE1 2.8Å; R32-E45 PolarHBondContact NH2-OE1 2.73Å; E45-G52 PolarHBondContact O-N 3.45Å; E45-K53 PolarHBondContact N-O 3.02Å; E45-K55 HydrophobicContact CB-CG 4.41Å; E45-K55 WeakPolarHBondContact OE1-CE 3.5Å; E45-K55 IonicContact OE1-NZ 3.58Å; E45-K55 PolarHBondContact OE1-NZ 3.36Å; E45-K55 VanDerWaalsContact OE1-NZ 3.12Å; E45-K55 WeakPolarHBondContact OE2-CE 3.46Å; E45-K55 IonicContact OE2-NZ 3.08Å; E45-K55 PolarHBondContact OE2-NZ 3.46Å |
| 46 | V | 86.3 | Confident | 88.5 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.5 | 168.9 | -177.3 | 0 | 0 | 0 | 0 | 107 | L31 E33 N50 | L31-V46 HydrophobicContact CD2-CB 4.33Å; L31-V46 HydrophobicContact CD2-CG1 4.29Å; L31-V46 HydrophobicContact CD2-CG2 4.44Å; L31-V46 HydrophobicContact CG-CG2 4.24Å; E33-V46 HydrophobicContact CB-CG2 4.05Å; V46-N50 WeakPolarHBondContact CA-O 3.41Å |
| 47 | S | 78.3 | Confident | 88.3 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.9 | -177 | -65.2 | 0 | 0 | 0 | 0 | 109 | G49 N50 | S47-G49 PolarHBondContact O-N 3.03Å; S47-G49 VanDerWaalsContact O-N 3.16Å; S47-N50 PolarHBondContact N-O 3Å; S47-N50 PolarHBondContact O-N 3.22Å |
| 48 | G | 72 | Confident | 88.3 | Confident | 87 Ų | 87 | 56 Ų | 56 | 90% | 0.897 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N50 | G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 3.07Å |
| 49 | G | 75.1 | Confident | 88.6 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R13 S47 | R13-G49 PolarHBondContact NH1-O 2.87Å; R13-G49 PolarHBondContact NH2-O 3.47Å; S47-G49 PolarHBondContact O-N 3.03Å; S47-G49 VanDerWaalsContact O-N 3.16Å |
| 50 | N | 81.5 | Confident | 88.6 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 158.3 | 179.3 | -69 | -38.1 | 0 | 0 | 0 | 112.5 | V46 S47 G48 G52 | V46-N50 WeakPolarHBondContact CA-O 3.41Å; S47-N50 PolarHBondContact N-O 3Å; S47-N50 PolarHBondContact O-N 3.22Å; G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 3.07Å; N50-G52 PolarHBondContact O-N 3.11Å |
| 51 | R | 90.1 | Very high | 88.4 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 115.9 | 172.8 | -172.5 | -175.2 | -65.8 | -176.3 | -0.4 | 109.7 | E8 E33 F44 | E8-R51 IonicContact OE1-CZ 3.09Å; E8-R51 IonicContact OE1-NH1 2.9Å; E8-R51 PolarHBondContact OE1-NH1 2.84Å; E8-R51 IonicContact OE1-NH2 3.9Å; E8-R51 PolarHBondContact OE1-NH2 2.94Å; E8-R51 IonicContact OE2-CZ 3.59Å; E8-R51 IonicContact OE2-NH1 2.66Å; E8-R51 IonicContact OE2-NH2 3.4Å; E8-R51 PolarHBondContact OE2-NH2 3.16Å; E33-R51 IonicContact OE1-CZ 2.67Å; E33-R51 VanDerWaalsContact OE1-CZ 3.31Å; E33-R51 IonicContact OE1-NE 3.31Å; E33-R51 PolarHBondContact OE1-NE 3.31Å; E33-R51 IonicContact OE1-NH2 3.47Å; E33-R51 PolarHBondContact OE1-NH2 3.02Å; F44-R51 HydrophobicContact CB-CG 3.58Å; F44-R51 HydrophobicContact CD1-CG 3.93Å; F44-R51 HydrophobicContact CD2-CG 4.13Å; F44-R51 HydrophobicContact CG-CG 3.61Å |
| 52 | G | 88.7 | Confident | 88.2 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -160.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E45 N50 | E45-G52 PolarHBondContact O-N 3.45Å; N50-G52 PolarHBondContact O-N 3.11Å |
| 53 | K | 88.5 | Confident | 88.1 | Confident | 166 Ų | 166 | 53.9 Ų | 53.9 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 137.7 | -179.1 | -176 | 170.1 | -179.3 | 169.8 | 0 | 112 | E45 K55 | E45-K53 PolarHBondContact N-O 3.02Å; K53-K55 WeakPolarHBondContact O-CE 3.49Å |
| 54 | E | 91.8 | Very high | 87.8 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 139.6 | 171.8 | -175.4 | 165.5 | -159.1 | 0 | 0 | 111.9 | R42 F44 | R42-E54 WeakPolarHBondContact CG-OE1 3.46Å; R42-E54 IonicContact CZ-OE1 2.77Å; R42-E54 IonicContact CZ-OE2 2.73Å; R42-E54 IonicContact NE-OE1 2.76Å; R42-E54 PolarHBondContact NE-OE1 2.65Å; R42-E54 IonicContact NE-OE2 3.18Å; R42-E54 IonicContact NH2-OE1 3.63Å; R42-E54 IonicContact NH2-OE2 3.03Å; R42-E54 PolarHBondContact NH2-OE2 3.5Å; F44-E54 HydrophobicContact CD1-CB 3.86Å; F44-E54 HydrophobicContact CD1-CG 4.44Å; F44-E54 HydrophobicContact CE1-CB 3.79Å; F44-E54 HydrophobicContact CE1-CG 4.19Å |
| 55 | K | 91.1 | Very high | 87.6 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 2 | -179.1 | -58.5 | -66.2 | 171.6 | 155.5 | 0 | 113.1 | Y43 E45 K53 | Y43-K55 HydrophobicContact CD2-CB 3.82Å; Y43-K55 HydrophobicContact CE2-CB 3.57Å; Y43-K55 WeakPolarHBondContact CE2-O 3.41Å; Y43-K55 VanDerWaalsContact CZ-O 3.29Å; Y43-K55 PolarHBondContact O-N 3.38Å; Y43-K55 PolarHBondContact OH-O 2.76Å; E45-K55 HydrophobicContact CB-CG 4.41Å; E45-K55 WeakPolarHBondContact OE1-CE 3.5Å; E45-K55 IonicContact OE1-NZ 3.58Å; E45-K55 PolarHBondContact OE1-NZ 3.36Å; E45-K55 VanDerWaalsContact OE1-NZ 3.12Å; E45-K55 WeakPolarHBondContact OE2-CE 3.46Å; E45-K55 IonicContact OE2-NZ 3.08Å; E45-K55 PolarHBondContact OE2-NZ 3.46Å; K53-K55 WeakPolarHBondContact O-CE 3.49Å |
| 56 | G | 89.7 | Confident | 87.7 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.7 | 161 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y43 | Y43-G56 WeakPolarHBondContact CD1-O 3.32Å; Y43-G56 PolarHBondContact N-O 3.04Å |
| 57 | Q | 92.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.2 | 177 | 177.2 | 175.7 | -25 | 0 | 0 | 108 | C40 I41 R42 | C40-Q57 HydrophobicContact CB-CG 3.74Å; I41-Q57 CarbonylContact O-C 3.56Å; I41-Q57 WeakPolarHBondContact O-CA 3.35Å; R42-Q57 HydrophobicContact CG-CB 4Å; R42-Q57 HydrophobicContact CG-CG 3.77Å |
| 58 | L | 91.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128 | 167.4 | 65.7 | 100.3 | 0 | 0 | 0 | 109.6 | C40 I41 V63 V83 Y85 L97 | C40-L58 CarbonylContact C-O 3.54Å; C40-L58 WeakPolarHBondContact CA-O 3.36Å; C40-L58 WeakPolarHBondContact CB-O 3.21Å; I41-L58 HydrophobicContact CB-CD1 4.19Å; I41-L58 HydrophobicContact CB-CD2 4.24Å; I41-L58 HydrophobicContact CB-CG 3.97Å; I41-L58 HydrophobicContact CD1-CD1 4.01Å; I41-L58 HydrophobicContact CG1-CD1 3.97Å; I41-L58 HydrophobicContact CG1-CG 4.32Å; I41-L58 PolarHBondContact N-O 2.87Å; I41-L58 PolarHBondContact O-N 3.25Å; L58-V63 HydrophobicContact CD1-CG2 3.93Å; L58-V83 HydrophobicContact CD1-CG1 4.35Å; L58-Y85 HydrophobicContact CB-CD2 4.16Å; L58-Y85 HydrophobicContact CB-CG 4.25Å; L58-L97 HydrophobicContact CD2-CD2 3.49Å; L58-L97 VanDerWaalsContact CD2-CD2 3.49Å |
| 59 | L | 91.1 | Very high | 89.8 | Confident | 67 Ų | 67 | 46 Ų | 46 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 133.9 | 179.8 | -70.9 | 164.4 | 0 | 0 | 0 | 110 | C40 S61 H62 | C40-L59 HydrophobicContact CB-CD2 4.31Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.99Å; L59-H62 HydrophobicContact CB-CB 4.48Å; L59-H62 VanDerWaalsContact CD1-CE1 3.47Å; L59-H62 WeakPolarHBondContact CD1-CE1 3.37Å; L59-H62 PolarHBondContact O-N 3.28Å |
| 60 | L | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.6 | -34.3 | -176.8 | -64.5 | -169.3 | 0 | 0 | 0 | 112.1 | L36 P38 Y39 I41 H62 V63 V114 Y117 T118 A123 | L36-L60 HydrophobicContact CD1-CD1 4.13Å; L36-L60 HydrophobicContact CD1-CD2 4.42Å; P38-L60 WeakPolarHBondContact O-CD1 3.42Å; Y39-L60 PolarHBondContact O-N 2.94Å; I41-L60 HydrophobicContact CD1-CD2 4.41Å; I41-L60 HydrophobicContact CG1-CD2 3.8Å; L60-H62 PolarHBondContact O-N 3.13Å; L60-H62 VanDerWaalsContact O-N 3.15Å; L60-V63 WeakPolarHBondContact O-CB 3.38Å; L60-V63 PolarHBondContact O-N 2.86Å; L60-V114 HydrophobicContact CD2-CG1 4.15Å; L60-Y117 VanDerWaalsContact CD1-CB 3.48Å; L60-T118 HydrophobicContact CB-CG2 3.74Å; L60-T118 HydrophobicContact CD2-CG2 3.98Å; L60-T118 HydrophobicContact CG-CG2 4.28Å; L60-T118 WeakPolarHBondContact O-CG2 3.5Å; L60-A123 WeakPolarHBondContact O-CB 3.18Å |
| 61 | S | 89.2 | Confident | 90.2 | Very high | 42 Ų | 42 | 47 Ų | 47 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -60.6 | -19.1 | 172.9 | 51 | 0 | 0 | 0 | 0 | 114.2 | L59 R121 | L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.99Å; S61-R121 WeakPolarHBondContact CB-O 3.44Å |
| 62 | H | 90.3 | Very high | 89.6 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -101 | 0.9 | -178.9 | -56.9 | 176.7 | 0 | 0 | 0 | 112.9 | L59 L60 Y85 A86 E87 A89 | L59-H62 HydrophobicContact CB-CB 4.48Å; L59-H62 VanDerWaalsContact CD1-CE1 3.47Å; L59-H62 WeakPolarHBondContact CD1-CE1 3.37Å; L59-H62 PolarHBondContact O-N 3.28Å; L60-H62 PolarHBondContact O-N 3.13Å; L60-H62 VanDerWaalsContact O-N 3.15Å; H62-Y85 CarbonylContact O-C 3.51Å; H62-Y85 VanDerWaalsContact O-CA 3.31Å; H62-Y85 WeakPolarHBondContact O-CA 3.01Å; H62-A86 WeakPolarHBondContact CB-O 3.45Å; H62-A86 PolarHBondContact O-N 2.68Å; H62-E87 PolarHBondContact CE1-O 2.93Å; H62-E87 PolarHBondContact ND1-O 3.48Å; H62-A89 PolarHBondContact NE2-N 2.9Å |
| 63 | V | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.5 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | L58 L60 V83 A84 T118 F125 | L58-V63 HydrophobicContact CD1-CG2 3.93Å; L60-V63 WeakPolarHBondContact O-CB 3.38Å; L60-V63 PolarHBondContact O-N 2.86Å; V63-V83 HydrophobicContact CG1-CG1 4.12Å; V63-V83 HydrophobicContact CG2-CG1 4.15Å; V63-A84 CarbonylContact C-O 3.59Å; V63-A84 WeakPolarHBondContact CA-O 3.43Å; V63-T118 HydrophobicContact CB-CG2 3.83Å; V63-T118 HydrophobicContact CG1-CG2 4.2Å; V63-T118 HydrophobicContact CG2-CG2 3.85Å; V63-F125 HydrophobicContact CB-CE2 4.32Å; V63-F125 HydrophobicContact CG1-CE2 3.83Å; V63-F125 HydrophobicContact CG1-CZ 3.92Å |
| 64 | K | 88.4 | Confident | 89.1 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -23.5 | 178.5 | -56 | -62.2 | -176.8 | 178.3 | 0 | 112.1 | A84 A89 W94 F125 L126 | K64-A84 HydrophobicContact CB-CB 4.16Å; K64-A84 PolarHBondContact N-O 3.41Å; K64-A89 PolarHBondContact NZ-O 3.43Å; K64-A89 VanDerWaalsContact NZ-O 3.13Å; K64-W94 HydrophobicContact CG-CB 4.21Å; K64-W94 HydrophobicContact CG-CE3 4.11Å; K64-F125 CarbonylContact O-C 3.55Å; K64-F125 VanDerWaalsContact O-CA 3.27Å; K64-F125 WeakPolarHBondContact O-CA 3.25Å; K64-L126 HydrophobicContact CB-CD1 3.97Å; K64-L126 HydrophobicContact CB-CG 4.14Å; K64-L126 PolarHBondContact O-N 2.99Å |
| 65 | F | 90.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 159.6 | 156 | 53.8 | -103.1 | 0 | 0 | 0 | 110.5 | Q82 V83 A84 L96 F125 L126 T156 | F65-Q82 HydrophobicContact CE2-CG 4.11Å; F65-V83 WeakPolarHBondContact O-CA 3.29Å; F65-A84 HydrophobicContact CD1-CB 3.68Å; F65-A84 HydrophobicContact CD2-CB 3.91Å; F65-A84 HydrophobicContact CE1-CB 3.54Å; F65-A84 HydrophobicContact CE2-CB 3.77Å; F65-A84 HydrophobicContact CG-CB 3.87Å; F65-A84 HydrophobicContact CZ-CB 3.59Å; F65-A84 PolarHBondContact N-O 2.84Å; F65-A84 PolarHBondContact O-N 3.46Å; F65-L96 HydrophobicContact CE2-CD2 3.9Å; F65-L96 HydrophobicContact CZ-CD2 3.83Å; F65-F125 HydrophobicContact CB-CD1 4.36Å; F65-L126 HydrophobicContact CD1-CB 4.38Å; F65-L126 HydrophobicContact CD1-CD1 3.99Å; F65-L126 HydrophobicContact CE1-CD1 4.12Å; F65-T156 HydrophobicContact CB-CG2 4.26Å |
| 66 | I | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.8 | 158.8 | -179.9 | 170.6 | 0 | 0 | 0 | 109 | F81 Q82 V83 I111 V114 R115 F125 | I66-F81 HydrophobicContact CD1-CD2 3.83Å; I66-F81 HydrophobicContact CD1-CE2 3.83Å; I66-F81 HydrophobicContact CG1-CD2 4.08Å; I66-Q82 WeakPolarHBondContact CA-O 3.11Å; I66-V83 HydrophobicContact CB-CG2 4.39Å; I66-V83 HydrophobicContact CD1-CG2 3.81Å; I66-V83 HydrophobicContact CG1-CG2 3.96Å; I66-I111 HydrophobicContact CD1-CG1 4.38Å; I66-I111 HydrophobicContact CG1-CG1 4.14Å; I66-V114 HydrophobicContact CB-CG1 4.39Å; I66-V114 HydrophobicContact CD1-CB 3.78Å; I66-V114 HydrophobicContact CD1-CG1 3.87Å; I66-V114 HydrophobicContact CD1-CG2 4.07Å; I66-V114 HydrophobicContact CG2-CB 4.19Å; I66-V114 HydrophobicContact CG2-CG1 3.87Å; I66-R115 HydrophobicContact CG2-CG 3.91Å; I66-R115 PolarHBondContact O-NH1 3.14Å; I66-F125 HydrophobicContact CG2-CE1 4.47Å; I66-F125 HydrophobicContact CG2-CZ 4.25Å |
| 67 | E | 93.9 | Very high | 88 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 163.8 | -173.5 | -79.4 | -70.9 | -158.4 | 0 | 0 | 112.7 | F81 Q82 R115 Y129 T156 N157 | E67-F81 WeakPolarHBondContact O-CA 3.33Å; E67-F81 WeakPolarHBondContact O-CB 3.31Å; E67-Q82 PolarHBondContact N-O 2.8Å; E67-Q82 WeakPolarHBondContact O-CG 3.49Å; E67-Q82 PolarHBondContact O-N 2.76Å; E67-R115 VanDerWaalsContact CD-NH2 3.26Å; E67-R115 IonicContact OE1-CZ 2.68Å; E67-R115 IonicContact OE1-NH1 3.4Å; E67-R115 IonicContact OE1-NH2 3.4Å; E67-R115 PolarHBondContact OE1-NH2 3Å; E67-R115 IonicContact OE2-CZ 3.41Å; E67-R115 IonicContact OE2-NH1 2.7Å; E67-R115 PolarHBondContact OE2-NH1 3Å; E67-R115 IonicContact OE2-NH2 3.28Å; E67-Y129 HydrophobicContact CB-CD1 4.47Å; E67-Y129 HydrophobicContact CB-CD2 3.63Å; E67-Y129 HydrophobicContact CB-CE1 4.31Å; E67-Y129 HydrophobicContact CB-CE2 3.44Å; E67-Y129 VanDerWaalsContact CB-CE2 3.44Å; E67-Y129 HydrophobicContact CB-CG 4.15Å; E67-Y129 HydrophobicContact CG-CD1 3.84Å; E67-Y129 HydrophobicContact CG-CD2 3.91Å; E67-Y129 HydrophobicContact CG-CE1 3.79Å; E67-Y129 HydrophobicContact CG-CE2 3.85Å; E67-Y129 HydrophobicContact CG-CG 3.9Å; E67-T156 HydrophobicContact CG-CG2 4.19Å; E67-N157 PolarHBondContact OE1-N 3.39Å; E67-N157 PolarHBondContact OE1-ND2 2.8Å |
| 68 | K | 94.1 | Very high | 87.8 | Confident | 80 Ų | 80 | 43.2 Ų | 43.2 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 144 | 170.1 | -57.7 | -174.8 | -170.2 | -165.4 | 0 | 109.7 | Q82 D108 I111 | K68-Q82 PolarHBondContact O-NE2 2.89Å; K68-D108 WeakPolarHBondContact CE-OD1 3.47Å; K68-D108 IonicContact NZ-OD1 2.74Å; K68-D108 PolarHBondContact NZ-OD1 3.46Å; K68-D108 VanDerWaalsContact NZ-OD1 3.08Å; K68-D108 IonicContact NZ-OD2 2.68Å; K68-D108 PolarHBondContact NZ-OD2 2.8Å; K68-I111 HydrophobicContact CB-CD1 4.39Å; K68-I111 HydrophobicContact CG-CD1 3.46Å; K68-I111 VanDerWaalsContact CG-CD1 3.46Å |
| 69 | V | 91.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -86.4 | 144.9 | 158.8 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | D71 E73 L74 A80 Q82 Y98 P131 V133 | V69-D71 PolarHBondContact O-N 2.97Å; V69-E73 HydrophobicContact CG1-CB 4.41Å; V69-L74 HydrophobicContact CG1-CB 4.27Å; V69-A80 HydrophobicContact CB-CB 3.85Å; V69-A80 HydrophobicContact CG1-CB 4.49Å; V69-A80 HydrophobicContact CG2-CB 4.25Å; V69-A80 PolarHBondContact N-O 3.2Å; V69-Q82 HydrophobicContact CG2-CB 3.82Å; V69-Q82 HydrophobicContact CG2-CG 3.78Å; V69-Y98 HydrophobicContact CG2-CD1 3.88Å; V69-Y98 HydrophobicContact CG2-CE1 4.23Å; V69-P131 WeakPolarHBondContact CA-O 3.34Å; V69-V133 HydrophobicContact CG1-CG2 3.44Å; V69-V133 VanDerWaalsContact CG1-CG2 3.44Å |
| 70 | Q | 86.5 | Confident | 88 | Confident | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -56 | 128.7 | 170.3 | -179.9 | 171.4 | -14.9 | 0 | 0 | 108.9 | E73 P131 | Q70-E73 HydrophobicContact CB-CB 4.37Å; Q70-E73 HydrophobicContact CB-CG 3.91Å; Q70-E73 HydrophobicContact CG-CG 3.88Å; Q70-E73 WeakPolarHBondContact O-CB 3.49Å; Q70-E73 PolarHBondContact O-N 3.42Å; Q70-P131 HydrophobicContact CB-CB 4.47Å; Q70-P131 PolarHBondContact N-O 2.96Å |
| 71 | D | 77.4 | Confident | 88.2 | Confident | 72 Ų | 72 | 41.6 Ų | 41.6 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 149.4 | -173.8 | -78.5 | -58.5 | 0 | 0 | 0 | 111.2 | V69 E73 K78 N79 R107 | V69-D71 PolarHBondContact O-N 2.97Å; D71-E73 PolarHBondContact O-N 3.49Å; D71-K78 VanDerWaalsContact OD1-CA 3.26Å; D71-K78 WeakPolarHBondContact OD1-CA 3.41Å; D71-N79 PolarHBondContact OD1-N 3.08Å; D71-R107 IonicContact OD1-NH1 2.65Å; D71-R107 IonicContact OD2-NH1 3.57Å; D71-R107 PolarHBondContact OD2-NH1 2.63Å |
| 72 | D | 78.7 | Confident | 88.4 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -16.4 | -173.2 | -56.2 | -44.4 | 0 | 0 | 0 | 116.6 | L74 N76 K77 K78 | D72-L74 PolarHBondContact O-N 3.04Å; D72-N76 VanDerWaalsContact O-CA 3.28Å; D72-N76 WeakPolarHBondContact O-CA 3.42Å; D72-N76 PolarHBondContact O-N 2.92Å; D72-N76 PolarHBondContact O-OD1 3.09Å; D72-K77 PolarHBondContact N-O 2.99Å; D72-K78 VanDerWaalsContact OD1-CE 3.22Å; D72-K78 WeakPolarHBondContact OD1-CE 3.46Å; D72-K78 WeakPolarHBondContact OD1-CG 3.47Å; D72-K78 IonicContact OD1-NZ 3.62Å; D72-K78 PolarHBondContact OD1-NZ 3.41Å; D72-K78 IonicContact OD2-NZ 2.76Å; D72-K78 PolarHBondContact OD2-NZ 3.3Å |
| 73 | E | 82.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 38.2 Ų | 38.2 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.2 | 175.3 | -76.7 | -66.8 | 116.6 | 0 | 0 | 114.1 | V69 Q70 D71 D75 V133 K135 S141 | V69-E73 HydrophobicContact CG1-CB 4.41Å; Q70-E73 HydrophobicContact CB-CB 4.37Å; Q70-E73 HydrophobicContact CB-CG 3.91Å; Q70-E73 HydrophobicContact CG-CG 3.88Å; Q70-E73 WeakPolarHBondContact O-CB 3.49Å; Q70-E73 PolarHBondContact O-N 3.42Å; D71-E73 PolarHBondContact O-N 3.49Å; E73-D75 VanDerWaalsContact C-N 3.32Å; E73-D75 PolarHBondContact O-N 2.85Å; E73-D75 VanDerWaalsContact O-N 3.14Å; E73-V133 HydrophobicContact CB-CG2 4.08Å; E73-K135 WeakPolarHBondContact O-CE 3.07Å; E73-K135 IonicContact OE1-NZ 3.23Å; E73-K135 PolarHBondContact OE1-NZ 3.46Å; E73-K135 VanDerWaalsContact OE1-NZ 3.11Å; E73-K135 WeakPolarHBondContact OE2-CE 3.31Å; E73-K135 IonicContact OE2-NZ 2.65Å; E73-K135 PolarHBondContact OE2-NZ 2.96Å; E73-S141 WeakPolarHBondContact OE2-CB 3.26Å; E73-S141 PolarHBondContact OE2-OG 2.8Å |
| 74 | L | 84.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 63.7 | 179.3 | -163.5 | 73.4 | 0 | 0 | 0 | 112.2 | R17 Y29 V69 D72 N76 K77 A80 Y98 V100 V133 | R17-L74 VanDerWaalsContact NH1-CD1 3.33Å; Y29-L74 PolarHBondContact OH-O 2.76Å; V69-L74 HydrophobicContact CG1-CB 4.27Å; D72-L74 PolarHBondContact O-N 3.04Å; L74-N76 PolarHBondContact O-N 3.45Å; L74-K77 WeakPolarHBondContact O-CB 3.25Å; L74-K77 PolarHBondContact O-N 3.42Å; L74-A80 HydrophobicContact CB-CB 3.99Å; L74-A80 HydrophobicContact CD2-CB 3.63Å; L74-A80 HydrophobicContact CG-CB 4.44Å; L74-Y98 HydrophobicContact CD1-CD1 3.77Å; L74-Y98 HydrophobicContact CD1-CD2 4.19Å; L74-Y98 HydrophobicContact CD1-CE1 4.38Å; L74-Y98 HydrophobicContact CD1-CG 3.66Å; L74-V100 HydrophobicContact CD2-CG2 3.63Å; L74-V133 HydrophobicContact CB-CG2 4.06Å; L74-V133 HydrophobicContact CD1-CB 4.48Å; L74-V133 HydrophobicContact CD1-CG1 3.94Å; L74-V133 HydrophobicContact CD1-CG2 3.62Å; L74-V133 HydrophobicContact CG-CG2 4.46Å |
| 75 | D | 82 | Confident | 88.6 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 54.1 | -176.9 | -25 | -43.9 | 0 | 0 | 0 | 111.4 | R17 Y29 E73 K77 | R17-D75 VanDerWaalsContact CZ-CG 3.46Å; R17-D75 IonicContact CZ-OD1 2.79Å; R17-D75 IonicContact CZ-OD2 2.72Å; R17-D75 IonicContact NE-OD2 2.76Å; R17-D75 VanDerWaalsContact NH1-CG 3.28Å; R17-D75 IonicContact NH1-OD1 3.27Å; R17-D75 PolarHBondContact NH1-OD1 3.11Å; R17-D75 IonicContact NH1-OD2 2.63Å; R17-D75 PolarHBondContact NH1-OD2 2.85Å; R17-D75 VanDerWaalsContact NH1-OD2 3.08Å; R17-D75 VanDerWaalsContact NH2-CG 3.31Å; R17-D75 IonicContact NH2-OD1 2.64Å; R17-D75 PolarHBondContact NH2-OD1 3.33Å; R17-D75 IonicContact NH2-OD2 3.76Å; R17-D75 PolarHBondContact NH2-OD2 3.11Å; R17-D75 VanDerWaalsContact NH2-OD2 3.08Å; Y29-D75 VanDerWaalsContact CE2-OD2 3.24Å; Y29-D75 WeakPolarHBondContact CE2-OD2 3.48Å; Y29-D75 VanDerWaalsContact CZ-OD2 3.29Å; Y29-D75 PolarHBondContact OH-OD2 2.61Å; E73-D75 VanDerWaalsContact C-N 3.32Å; E73-D75 PolarHBondContact O-N 2.85Å; E73-D75 VanDerWaalsContact O-N 3.14Å; D75-K77 VanDerWaalsContact C-N 3.32Å; D75-K77 PolarHBondContact O-N 3.42Å; D75-K77 PolarHBondContact O-NZ 3.43Å |
| 76 | N | 81.9 | Confident | 88.3 | Confident | 138 Ų | 138 | 38.3 Ų | 38.3 | 74% | 0.738 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 57.7 | 35.8 | -179.8 | -56.7 | -2.4 | 0 | 0 | 0 | 114.3 | D72 L74 | D72-N76 VanDerWaalsContact O-CA 3.28Å; D72-N76 WeakPolarHBondContact O-CA 3.42Å; D72-N76 PolarHBondContact O-N 2.92Å; D72-N76 PolarHBondContact O-OD1 3.09Å; L74-N76 PolarHBondContact O-N 3.45Å |
| 77 | K | 85.5 | Confident | 87.5 | Confident | 60 Ų | 60 | 45 Ų | 45 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | trans | -111.1 | 129.7 | 174.3 | -67.4 | 166 | -161.1 | 67 | 0 | 110.9 | Y29 D72 L74 D75 V100 | Y29-K77 HydrophobicContact CD1-CD 4.2Å; Y29-K77 HydrophobicContact CE1-CD 3.73Å; Y29-K77 HydrophobicContact CE2-CD 4.11Å; Y29-K77 VanDerWaalsContact CE2-CE 3.42Å; Y29-K77 VanDerWaalsContact CE2-NZ 3.31Å; D72-K77 PolarHBondContact N-O 2.99Å; L74-K77 WeakPolarHBondContact O-CB 3.25Å; L74-K77 PolarHBondContact O-N 3.42Å; D75-K77 VanDerWaalsContact C-N 3.32Å; D75-K77 PolarHBondContact O-N 3.42Å; D75-K77 PolarHBondContact O-NZ 3.43Å; K77-V100 HydrophobicContact CB-CG1 4.36Å; K77-V100 HydrophobicContact CB-CG2 4.07Å; K77-V100 HydrophobicContact CD-CG2 4.06Å | ||
| 78 | K | 88.7 | Confident | 86.7 | Confident | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -88.6 | 170.5 | 173.8 | -53.2 | -176.4 | -170.6 | -95.8 | 0 | 110.1 | D71 D72 A80 | D71-K78 VanDerWaalsContact OD1-CA 3.26Å; D71-K78 WeakPolarHBondContact OD1-CA 3.41Å; D72-K78 VanDerWaalsContact OD1-CE 3.22Å; D72-K78 WeakPolarHBondContact OD1-CE 3.46Å; D72-K78 WeakPolarHBondContact OD1-CG 3.47Å; D72-K78 IonicContact OD1-NZ 3.62Å; D72-K78 PolarHBondContact OD1-NZ 3.41Å; D72-K78 IonicContact OD2-NZ 2.76Å; D72-K78 PolarHBondContact OD2-NZ 3.3Å; K78-A80 PolarHBondContact O-N 2.72Å |
| 79 | N | 92.5 | Very high | 85.4 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 61.3 | 25.4 | -178.5 | -45.7 | -36.2 | 0 | 0 | 0 | 113.2 | D71 A101 S103 A104 | D71-N79 PolarHBondContact OD1-N 3.08Å; N79-A101 HydrophobicContact CB-CB 4.48Å; N79-A101 WeakPolarHBondContact CB-O 3.44Å; N79-A101 PolarHBondContact O-N 3.06Å; N79-A101 VanDerWaalsContact O-N 3.16Å; N79-S103 VanDerWaalsContact CG-C 3.44Å; N79-S103 WeakPolarHBondContact ND2-CA 3.5Å; N79-A104 WeakPolarHBondContact OD1-CA 3.06Å; N79-A104 PolarHBondContact OD1-N 2.95Å; N79-A104 VanDerWaalsContact OD1-N 3.13Å |
| 80 | A | 94 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 139.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V69 L74 K78 I99 V100 R107 | V69-A80 HydrophobicContact CB-CB 3.85Å; V69-A80 HydrophobicContact CG1-CB 4.49Å; V69-A80 HydrophobicContact CG2-CB 4.25Å; V69-A80 PolarHBondContact N-O 3.2Å; L74-A80 HydrophobicContact CB-CB 3.99Å; L74-A80 HydrophobicContact CD2-CB 3.63Å; L74-A80 HydrophobicContact CG-CB 4.44Å; K78-A80 PolarHBondContact O-N 2.72Å; A80-I99 WeakPolarHBondContact CA-O 3.26Å; A80-V100 HydrophobicContact CB-CG2 4.41Å; A80-R107 VanDerWaalsContact O-CD 3.25Å; A80-R107 WeakPolarHBondContact O-CD 3.41Å |
| 81 | F | 95.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 163.2 | 170.2 | 70.2 | -79.6 | 0 | 0 | 0 | 111.6 | M14 I66 E67 V83 Y98 I99 A101 R107 W110 I111 | M14-F81 HydrophobicContact CE-CE1 4.37Å; M14-F81 HydrophobicContact CE-CZ 3.98Å; M14-F81 HydrophobicContact SD-CE1 3.82Å; M14-F81 HydrophobicContact SD-CZ 4.04Å; I66-F81 HydrophobicContact CD1-CD2 3.83Å; I66-F81 HydrophobicContact CD1-CE2 3.83Å; I66-F81 HydrophobicContact CG1-CD2 4.08Å; E67-F81 WeakPolarHBondContact O-CA 3.33Å; E67-F81 WeakPolarHBondContact O-CB 3.31Å; F81-V83 HydrophobicContact CD2-CG2 4.43Å; F81-V83 HydrophobicContact CE2-CG2 4.32Å; F81-Y98 WeakPolarHBondContact O-CA 3.2Å; F81-I99 HydrophobicContact CD1-CB 4.04Å; F81-I99 HydrophobicContact CD1-CG2 4.31Å; F81-I99 WeakPolarHBondContact CD1-O 3.22Å; F81-I99 HydrophobicContact CD2-CB 4.5Å; F81-I99 HydrophobicContact CE1-CB 3.63Å; F81-I99 HydrophobicContact CE1-CG2 3.5Å; F81-I99 VanDerWaalsContact CE1-CG2 3.5Å; F81-I99 HydrophobicContact CE2-CB 4.12Å; F81-I99 HydrophobicContact CE2-CD1 3.76Å; F81-I99 HydrophobicContact CE2-CG1 4.42Å; F81-I99 HydrophobicContact CG-CB 4.48Å; F81-I99 HydrophobicContact CZ-CB 3.68Å; F81-I99 HydrophobicContact CZ-CD1 3.75Å; F81-I99 HydrophobicContact CZ-CG1 4.29Å; F81-I99 HydrophobicContact CZ-CG2 3.64Å; F81-I99 PolarHBondContact N-O 3.27Å; F81-I99 PolarHBondContact O-N 3.48Å; F81-A101 HydrophobicContact CE1-CB 4.32Å; F81-R107 HydrophobicContact CB-CG 3.86Å; F81-R107 HydrophobicContact CD1-CG 3.87Å; F81-R107 HydrophobicContact CG-CG 4.21Å; F81-W110 HydrophobicContact CE1-CB 4.44Å; F81-W110 HydrophobicContact CE2-CB 4.3Å; F81-W110 HydrophobicContact CZ-CB 3.9Å; F81-W110 HydrophobicContact CZ-CG 4.3Å; F81-I111 HydrophobicContact CB-CD1 3.91Å; F81-I111 HydrophobicContact CB-CG1 4.07Å; F81-I111 HydrophobicContact CD2-CG1 4.32Å; F81-I111 HydrophobicContact CG-CG1 4.35Å |
| 82 | Q | 93.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139 | -175.3 | 52.5 | 179.5 | -31.1 | 0 | 0 | 111.4 | F65 I66 E67 K68 V69 L97 Y98 H130 | F65-Q82 HydrophobicContact CE2-CG 4.11Å; I66-Q82 WeakPolarHBondContact CA-O 3.11Å; E67-Q82 PolarHBondContact N-O 2.8Å; E67-Q82 WeakPolarHBondContact O-CG 3.49Å; E67-Q82 PolarHBondContact O-N 2.76Å; K68-Q82 PolarHBondContact O-NE2 2.89Å; V69-Q82 HydrophobicContact CG2-CB 3.82Å; V69-Q82 HydrophobicContact CG2-CG 3.78Å; Q82-L97 CarbonylContact C-O 3.5Å; Q82-L97 WeakPolarHBondContact CA-O 3.48Å; Q82-Y98 HydrophobicContact CB-CD1 3.79Å; Q82-Y98 HydrophobicContact CB-CE1 3.99Å; Q82-H130 PolarHBondContact NE2-O 2.95Å |
| 83 | V | 93.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.9 | 172.1 | -167.7 | 0 | 0 | 0 | 0 | 108.4 | L58 V63 F65 I66 F81 L97 I99 | L58-V83 HydrophobicContact CD1-CG1 4.35Å; V63-V83 HydrophobicContact CG1-CG1 4.12Å; V63-V83 HydrophobicContact CG2-CG1 4.15Å; F65-V83 WeakPolarHBondContact O-CA 3.29Å; I66-V83 HydrophobicContact CB-CG2 4.39Å; I66-V83 HydrophobicContact CD1-CG2 3.81Å; I66-V83 HydrophobicContact CG1-CG2 3.96Å; F81-V83 HydrophobicContact CD2-CG2 4.43Å; F81-V83 HydrophobicContact CE2-CG2 4.32Å; V83-L97 HydrophobicContact CB-CB 4.33Å; V83-L97 PolarHBondContact N-O 2.87Å; V83-L97 PolarHBondContact O-N 2.99Å; V83-I99 HydrophobicContact CG2-CD1 4.49Å |
| 84 | A | 90.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V63 K64 F65 Y95 L96 | V63-A84 CarbonylContact C-O 3.59Å; V63-A84 WeakPolarHBondContact CA-O 3.43Å; K64-A84 HydrophobicContact CB-CB 4.16Å; K64-A84 PolarHBondContact N-O 3.41Å; F65-A84 HydrophobicContact CD1-CB 3.68Å; F65-A84 HydrophobicContact CD2-CB 3.91Å; F65-A84 HydrophobicContact CE1-CB 3.54Å; F65-A84 HydrophobicContact CE2-CB 3.77Å; F65-A84 HydrophobicContact CG-CB 3.87Å; F65-A84 HydrophobicContact CZ-CB 3.59Å; F65-A84 PolarHBondContact N-O 2.84Å; F65-A84 PolarHBondContact O-N 3.46Å; A84-Y95 WeakPolarHBondContact CA-O 3.31Å; A84-L96 HydrophobicContact CB-CD2 3.94Å |
| 85 | Y | 89.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 149 | 178.8 | 68.1 | -79.9 | 0 | 0 | 0 | 111.1 | Q19 L58 H62 W94 Y95 L97 | Q19-Y85 PolarHBondContact NE2-OH 3.16Å; Q19-Y85 PolarHBondContact OE1-OH 2.97Å; L58-Y85 HydrophobicContact CB-CD2 4.16Å; L58-Y85 HydrophobicContact CB-CG 4.25Å; H62-Y85 CarbonylContact O-C 3.51Å; H62-Y85 VanDerWaalsContact O-CA 3.31Å; H62-Y85 WeakPolarHBondContact O-CA 3.01Å; Y85-W94 CarbonylContact O-C 3.58Å; Y85-W94 VanDerWaalsContact O-CA 3.27Å; Y85-W94 WeakPolarHBondContact O-CA 3.45Å; Y85-W94 WeakPolarHBondContact O-CB 3.33Å; Y85-Y95 WeakPolarHBondContact CD1-O 3.19Å; Y85-Y95 HydrophobicContact CE2-CD2 4.38Å; Y85-Y95 PolarHBondContact N-O 2.95Å; Y85-Y95 PolarHBondContact O-N 3.24Å; Y85-L97 HydrophobicContact CD1-CB 4.45Å; Y85-L97 HydrophobicContact CE1-CB 3.98Å |
| 86 | A | 84.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 161.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H62 D88 T93 | H62-A86 WeakPolarHBondContact CB-O 3.45Å; H62-A86 PolarHBondContact O-N 2.68Å; A86-D88 WeakPolarHBondContact CB-O 3.38Å; A86-T93 WeakPolarHBondContact CB-O 3.17Å |
| 87 | E | 77.5 | Confident | 82.8 | Confident | 140 Ų | 140 | 43.3 Ų | 43.3 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.8 | -41.6 | 172.3 | -82.4 | 178.3 | 171.9 | 0 | 0 | 110.9 | H62 Y95 | H62-E87 PolarHBondContact CE1-O 2.93Å; H62-E87 PolarHBondContact ND1-O 3.48Å; E87-Y95 HydrophobicContact CG-CD2 4.39Å; E87-Y95 HydrophobicContact CG-CE2 3.7Å |
| 88 | D | 76.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 41.1 Ų | 41.1 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -128.5 | 166.2 | 171.5 | 72.5 | 69.9 | 0 | 0 | 0 | 111.8 | A86 I90 S91 | A86-D88 WeakPolarHBondContact CB-O 3.38Å; D88-I90 PolarHBondContact O-N 3.28Å; D88-I90 WeakPolarHBondContact OD1-CA 3.42Å; D88-I90 WeakPolarHBondContact OD1-CG1 3.3Å; D88-I90 PolarHBondContact OD1-N 2.86Å; D88-S91 PolarHBondContact OD1-N 3.28Å |
| 89 | A | 67 | Low | 83.4 | Confident | 55 Ų | 55 | 35.6 Ų | 35.6 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -64.9 | -32.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H62 K64 | H62-A89 PolarHBondContact NE2-N 2.9Å; K64-A89 PolarHBondContact NZ-O 3.43Å; K64-A89 VanDerWaalsContact NZ-O 3.13Å |
| 90 | I | 65.4 | Low | 83.5 | Confident | 118 Ų | 118 | 34.6 Ų | 34.6 | 61% | 0.605 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -90.8 | -15 | -174 | 60.4 | 170.9 | 0 | 0 | 0 | 113.2 | D88 S92 | D88-I90 PolarHBondContact O-N 3.28Å; D88-I90 WeakPolarHBondContact OD1-CA 3.42Å; D88-I90 WeakPolarHBondContact OD1-CG1 3.3Å; D88-I90 PolarHBondContact OD1-N 2.86Å; I90-S92 PolarHBondContact O-N 2.94Å |
| 91 | S | 67.6 | Low | 83.6 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 21% | 0.21 | 19% | 0.189 | C | C | . | . | trans | -63.9 | 129.9 | 179.3 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | D88 T93 | D88-S91 PolarHBondContact OD1-N 3.28Å; S91-T93 PolarHBondContact O-N 2.93Å; S91-T93 PolarHBondContact OG-N 2.88Å; S91-T93 VanDerWaalsContact OG-N 3.09Å; S91-T93 PolarHBondContact OG-O 2.96Å | ||
| 92 | S | 68.1 | Low | 83.5 | Confident | 98 Ų | 98 | 40 Ų | 40 | 69% | 0.685 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -76.2 | 1.9 | 167.7 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | I90 | I90-S92 PolarHBondContact O-N 2.94Š|
| 93 | T | 67.9 | Low | 83.4 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | trans | -106.6 | 120.9 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | A86 S91 Y95 R149 | A86-T93 WeakPolarHBondContact CB-O 3.17Å; S91-T93 PolarHBondContact O-N 2.93Å; S91-T93 PolarHBondContact OG-N 2.88Å; S91-T93 VanDerWaalsContact OG-N 3.09Å; S91-T93 PolarHBondContact OG-O 2.96Å; T93-Y95 HydrophobicContact CG2-CE2 4.3Å; T93-R149 PolarHBondContact OG1-NH1 2.88Å | ||
| 94 | W | 77.7 | Confident | 83.4 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.7 | 174 | 54.9 | 66.3 | 0 | 0 | 0 | 112.7 | K64 Y85 L126 R149 | K64-W94 HydrophobicContact CG-CB 4.21Å; K64-W94 HydrophobicContact CG-CE3 4.11Å; Y85-W94 CarbonylContact O-C 3.58Å; Y85-W94 VanDerWaalsContact O-CA 3.27Å; Y85-W94 WeakPolarHBondContact O-CA 3.45Å; Y85-W94 WeakPolarHBondContact O-CB 3.33Å; W94-L126 HydrophobicContact CD2-CD1 4.11Å; W94-L126 HydrophobicContact CE3-CD1 4.06Å; W94-L126 HydrophobicContact CH2-CD1 3.51Å; W94-L126 HydrophobicContact CH2-CD2 3.58Å; W94-L126 HydrophobicContact CH2-CG 4.18Å; W94-L126 HydrophobicContact CZ2-CD1 3.54Å; W94-L126 HydrophobicContact CZ2-CD2 4.41Å; W94-L126 HydrophobicContact CZ3-CD1 3.78Å; W94-L126 HydrophobicContact CZ3-CD2 3.69Å; W94-L126 HydrophobicContact CZ3-CG 4.25Å; W94-R149 WeakPolarHBondContact CZ2-O 3.4Å |
| 95 | Y | 84.4 | Confident | 83.4 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144 | -178.6 | -55 | -92.6 | 0 | 0 | 0 | 109.1 | A84 Y85 E87 T93 | A84-Y95 WeakPolarHBondContact CA-O 3.31Å; Y85-Y95 WeakPolarHBondContact CD1-O 3.19Å; Y85-Y95 HydrophobicContact CE2-CD2 4.38Å; Y85-Y95 PolarHBondContact N-O 2.95Å; Y85-Y95 PolarHBondContact O-N 3.24Å; E87-Y95 HydrophobicContact CG-CD2 4.39Å; E87-Y95 HydrophobicContact CG-CE2 3.7Å; T93-Y95 HydrophobicContact CG2-CE2 4.3Å |
| 96 | L | 88.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135 | 176.2 | -84 | 170 | 0 | 0 | 0 | 111.5 | Q19 F65 A84 Y98 Y140 | Q19-L96 WeakPolarHBondContact CG-O 3.11Å; Q19-L96 PolarHBondContact NE2-O 3.36Å; F65-L96 HydrophobicContact CE2-CD2 3.9Å; F65-L96 HydrophobicContact CZ-CD2 3.83Å; A84-L96 HydrophobicContact CB-CD2 3.94Å; L96-Y98 HydrophobicContact CB-CE2 4.47Å; L96-Y140 HydrophobicContact CD1-CE1 3.96Å; L96-Y140 WeakPolarHBondContact CD1-OH 3.36Å |
| 97 | L | 90.3 | Very high | 84.1 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 108.9 | 177.4 | 167.7 | 57.5 | 0 | 0 | 0 | 109.3 | K16 L58 Q82 V83 Y85 I99 | K16-L97 HydrophobicContact CD-CD1 4.05Å; K16-L97 HydrophobicContact CG-CD1 3.76Å; K16-L97 VanDerWaalsContact NZ-CD1 3.27Å; L58-L97 HydrophobicContact CD2-CD2 3.49Å; L58-L97 VanDerWaalsContact CD2-CD2 3.49Å; Q82-L97 CarbonylContact C-O 3.5Å; Q82-L97 WeakPolarHBondContact CA-O 3.48Å; V83-L97 HydrophobicContact CB-CB 4.33Å; V83-L97 PolarHBondContact N-O 2.87Å; V83-L97 PolarHBondContact O-N 2.99Å; Y85-L97 HydrophobicContact CD1-CB 4.45Å; Y85-L97 HydrophobicContact CE1-CB 3.98Å; L97-I99 HydrophobicContact CD1-CG1 4.11Å; L97-I99 HydrophobicContact CD2-CD1 4.08Å; L97-I99 HydrophobicContact CG-CD1 4.03Å; L97-I99 HydrophobicContact CG-CG1 3.95Å |
| 98 | Y | 92.6 | Very high | 84.9 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.7 | 173.7 | -56.1 | -76.2 | 0 | 0 | 0 | 111 | R17 V69 L74 F81 Q82 L96 V133 W134 | R17-Y98 PolarHBondContact N-O 3.47Å; V69-Y98 HydrophobicContact CG2-CD1 3.88Å; V69-Y98 HydrophobicContact CG2-CE1 4.23Å; L74-Y98 HydrophobicContact CD1-CD1 3.77Å; L74-Y98 HydrophobicContact CD1-CD2 4.19Å; L74-Y98 HydrophobicContact CD1-CE1 4.38Å; L74-Y98 HydrophobicContact CD1-CG 3.66Å; F81-Y98 WeakPolarHBondContact O-CA 3.2Å; Q82-Y98 HydrophobicContact CB-CD1 3.79Å; Q82-Y98 HydrophobicContact CB-CE1 3.99Å; L96-Y98 HydrophobicContact CB-CE2 4.47Å; Y98-V133 HydrophobicContact CE1-CG1 4.38Å; Y98-V133 HydrophobicContact CE1-CG2 4.26Å; Y98-V133 HydrophobicContact CE2-CG1 4.3Å; Y98-W134 PolarHBondContact OH-N 3.34Å |
| 99 | I | 94.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.2 | -178.7 | -54.1 | 172.7 | 0 | 0 | 0 | 108.3 | M14 F34 A80 F81 V83 L97 | M14-I99 HydrophobicContact CB-CG2 3.69Å; M14-I99 HydrophobicContact CE-CG2 4Å; M14-I99 HydrophobicContact CG-CG2 4.44Å; M14-I99 HydrophobicContact SD-CG2 3.96Å; F34-I99 HydrophobicContact CD1-CD1 4.15Å; F34-I99 HydrophobicContact CE1-CD1 3.47Å; F34-I99 VanDerWaalsContact CE1-CD1 3.47Å; F34-I99 HydrophobicContact CE1-CG1 4.12Å; F34-I99 HydrophobicContact CE2-CD1 4.47Å; F34-I99 HydrophobicContact CE2-CG2 3.98Å; F34-I99 HydrophobicContact CZ-CD1 3.65Å; F34-I99 HydrophobicContact CZ-CG1 3.78Å; F34-I99 HydrophobicContact CZ-CG2 4.07Å; A80-I99 WeakPolarHBondContact CA-O 3.26Å; F81-I99 HydrophobicContact CD1-CB 4.04Å; F81-I99 HydrophobicContact CD1-CG2 4.31Å; F81-I99 WeakPolarHBondContact CD1-O 3.22Å; F81-I99 HydrophobicContact CD2-CB 4.5Å; F81-I99 HydrophobicContact CE1-CB 3.63Å; F81-I99 HydrophobicContact CE1-CG2 3.5Å; F81-I99 VanDerWaalsContact CE1-CG2 3.5Å; F81-I99 HydrophobicContact CE2-CB 4.12Å; F81-I99 HydrophobicContact CE2-CD1 3.76Å; F81-I99 HydrophobicContact CE2-CG1 4.42Å; F81-I99 HydrophobicContact CG-CB 4.48Å; F81-I99 HydrophobicContact CZ-CB 3.68Å; F81-I99 HydrophobicContact CZ-CD1 3.75Å; F81-I99 HydrophobicContact CZ-CG1 4.29Å; F81-I99 HydrophobicContact CZ-CG2 3.64Å; F81-I99 PolarHBondContact N-O 3.27Å; F81-I99 PolarHBondContact O-N 3.48Å; V83-I99 HydrophobicContact CG2-CD1 4.49Å; L97-I99 HydrophobicContact CD1-CG1 4.11Å; L97-I99 HydrophobicContact CD2-CD1 4.08Å; L97-I99 HydrophobicContact CG-CD1 4.03Å; L97-I99 HydrophobicContact CG-CG1 3.95Å |
| 100 | V | 94.6 | Very high | 87 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116 | 174 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | M14 T15 Y29 L74 K77 A80 | M14-V100 WeakPolarHBondContact CB-O 3.44Å; T15-V100 PolarHBondContact N-O 2.81Å; T15-V100 PolarHBondContact O-N 2.91Å; Y29-V100 HydrophobicContact CE1-CG2 4.27Å; L74-V100 HydrophobicContact CD2-CG2 3.63Å; K77-V100 HydrophobicContact CB-CG1 4.36Å; K77-V100 HydrophobicContact CB-CG2 4.07Å; K77-V100 HydrophobicContact CD-CG2 4.06Å; A80-V100 HydrophobicContact CB-CG2 4.41Å |
| 101 | A | 95.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | trans | -82.5 | 160.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | M14 N79 F81 S103 E106 R107 | M14-A101 HydrophobicContact SD-CB 3.98Å; N79-A101 HydrophobicContact CB-CB 4.48Å; N79-A101 WeakPolarHBondContact CB-O 3.44Å; N79-A101 PolarHBondContact O-N 3.06Å; N79-A101 VanDerWaalsContact O-N 3.16Å; F81-A101 HydrophobicContact CE1-CB 4.32Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.39Å; A101-E106 HydrophobicContact CB-CB 4.12Å; A101-E106 HydrophobicContact CB-CG 4.07Å; A101-R107 HydrophobicContact CB-CB 3.93Å | ||
| 102 | N | 92.6 | Very high | 89.4 | Confident | 108 Ų | 108 | 39.2 Ų | 39.2 | 58% | 0.578 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -73.7 | -24.7 | -178.8 | -57.6 | -75.6 | 0 | 0 | 0 | 112.2 | R13 E106 | R13-N102 PolarHBondContact O-ND2 3.27Å; N102-E106 WeakPolarHBondContact CB-OE2 3.31Å; N102-E106 PolarHBondContact N-OE2 3.4Å; N102-E106 PolarHBondContact ND2-OE2 2.91Å |
| 103 | S | 93.1 | Very high | 90.5 | Very high | 48 Ų | 48 | 36.4 Ų | 36.4 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -144.3 | 162.3 | 175.8 | 73.2 | 0 | 0 | 0 | 0 | 112 | N79 A101 I105 E106 R107 | N79-S103 VanDerWaalsContact CG-C 3.44Å; N79-S103 WeakPolarHBondContact ND2-CA 3.5Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.39Å; S103-I105 PolarHBondContact O-N 2.92Å; S103-I105 PolarHBondContact OG-N 2.86Å; S103-E106 PolarHBondContact O-N 2.7Å; S103-E106 PolarHBondContact OG-N 2.94Å; S103-R107 PolarHBondContact O-N 3.39Å |
| 104 | A | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 35 Ų | 35 | 33% | 0.331 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -30.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N79 D108 | N79-A104 WeakPolarHBondContact OD1-CA 3.06Å; N79-A104 PolarHBondContact OD1-N 2.95Å; N79-A104 VanDerWaalsContact OD1-N 3.13Å; A104-D108 WeakPolarHBondContact O-CB 3.37Å; A104-D108 PolarHBondContact O-N 3.12Å |
| 105 | I | 91.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 34.4 Ų | 34.4 | 65% | 0.646 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.9 | -49.5 | 174.9 | -56.9 | 173.5 | 0 | 0 | 0 | 109.6 | S103 R107 D108 D109 | S103-I105 PolarHBondContact O-N 2.92Å; S103-I105 PolarHBondContact OG-N 2.86Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 2.84Å; I105-D108 PolarHBondContact O-N 3.17Å; I105-D108 VanDerWaalsContact O-N 3.16Å; I105-D109 WeakPolarHBondContact O-CB 3.47Å; I105-D109 PolarHBondContact O-N 3.06Å |
| 106 | E | 94.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 177.7 | -177.5 | 179.1 | -129.2 | 0 | 0 | 112 | S12 M14 A101 N102 S103 W110 | S12-E106 WeakPolarHBondContact CB-OE1 3.19Å; S12-E106 PolarHBondContact OG-OE1 3.42Å; M14-E106 HydrophobicContact SD-CG 4.36Å; A101-E106 HydrophobicContact CB-CB 4.12Å; A101-E106 HydrophobicContact CB-CG 4.07Å; N102-E106 WeakPolarHBondContact CB-OE2 3.31Å; N102-E106 PolarHBondContact N-OE2 3.4Å; N102-E106 PolarHBondContact ND2-OE2 2.91Å; S103-E106 PolarHBondContact O-N 2.7Å; S103-E106 PolarHBondContact OG-N 2.94Å; E106-W110 VanDerWaalsContact O-CD1 3.28Å; E106-W110 PolarHBondContact O-N 2.77Å; E106-W110 VanDerWaalsContact O-N 3.11Å |
| 107 | R | 95.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -51.8 | 172 | -176.7 | -166.3 | 59.4 | -153.6 | -12.5 | 110.9 | D71 A80 F81 A101 S103 I105 W110 I111 | D71-R107 IonicContact OD1-NH1 2.65Å; D71-R107 IonicContact OD2-NH1 3.57Å; D71-R107 PolarHBondContact OD2-NH1 2.63Å; A80-R107 VanDerWaalsContact O-CD 3.25Å; A80-R107 WeakPolarHBondContact O-CD 3.41Å; F81-R107 HydrophobicContact CB-CG 3.86Å; F81-R107 HydrophobicContact CD1-CG 3.87Å; F81-R107 HydrophobicContact CG-CG 4.21Å; A101-R107 HydrophobicContact CB-CB 3.93Å; S103-R107 PolarHBondContact O-N 3.39Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 2.84Å; R107-W110 PolarHBondContact O-N 3.05Å; R107-I111 HydrophobicContact CG-CD1 3.91Å; R107-I111 WeakPolarHBondContact O-CG1 3.18Å; R107-I111 PolarHBondContact O-N 3.07Å |
| 108 | D | 93.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -73.8 | -32.7 | -171.8 | -68.7 | 7.9 | 0 | 0 | 0 | 111.6 | K68 A104 I105 S112 | K68-D108 WeakPolarHBondContact CE-OD1 3.47Å; K68-D108 IonicContact NZ-OD1 2.74Å; K68-D108 PolarHBondContact NZ-OD1 3.46Å; K68-D108 VanDerWaalsContact NZ-OD1 3.08Å; K68-D108 IonicContact NZ-OD2 2.68Å; K68-D108 PolarHBondContact NZ-OD2 2.8Å; A104-D108 WeakPolarHBondContact O-CB 3.37Å; A104-D108 PolarHBondContact O-N 3.12Å; I105-D108 PolarHBondContact O-N 3.17Å; I105-D108 VanDerWaalsContact O-N 3.16Å; D108-S112 VanDerWaalsContact O-CB 3.31Å; D108-S112 WeakPolarHBondContact O-CB 3.4Å; D108-S112 PolarHBondContact O-N 3.42Å; D108-S112 PolarHBondContact O-OG 3.48Å |
| 109 | D | 93.3 | Very high | 91.3 | Very high | 60 Ų | 60 | 44.8 Ų | 44.8 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.8 | -54.1 | 165.9 | -81.4 | -3.7 | 0 | 0 | 0 | 111.5 | K10 I105 S112 L113 | K10-D109 IonicContact NZ-OD2 3.95Å; K10-D109 PolarHBondContact NZ-OD2 3.44Å; I105-D109 WeakPolarHBondContact O-CB 3.47Å; I105-D109 PolarHBondContact O-N 3.06Å; D109-S112 PolarHBondContact O-N 2.74Å; D109-L113 WeakPolarHBondContact O-CB 3.4Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.26Å |
| 110 | W | 95.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | -176.4 | -91.4 | 92.8 | 0 | 0 | 0 | 111.8 | K10 S12 M14 F34 L36 I41 F81 E106 R107 S112 V114 | K10-W110 HydrophobicContact CB-CZ2 4.34Å; K10-W110 HydrophobicContact CD-CD2 4.35Å; K10-W110 HydrophobicContact CD-CG 4.33Å; K10-W110 HydrophobicContact CD-CZ2 4.43Å; K10-W110 HydrophobicContact CG-CZ2 4.24Å; S12-W110 PolarHBondContact OG-NE1 2.83Å; M14-W110 HydrophobicContact CE-CD2 3.67Å; M14-W110 VanDerWaalsContact CE-CE2 3.41Å; M14-W110 HydrophobicContact CE-CE3 4.26Å; M14-W110 HydrophobicContact CE-CG 3.98Å; M14-W110 HydrophobicContact CE-CH2 4.37Å; M14-W110 HydrophobicContact CE-CZ2 3.81Å; M14-W110 HydrophobicContact SD-CG 4.28Å; F34-W110 HydrophobicContact CB-CH2 3.7Å; F34-W110 HydrophobicContact CB-CZ2 3.93Å; F34-W110 HydrophobicContact CB-CZ3 4.44Å; L36-W110 HydrophobicContact CB-CH2 3.77Å; L36-W110 HydrophobicContact CB-CZ3 3.78Å; I41-W110 HydrophobicContact CD1-CE3 4.48Å; I41-W110 HydrophobicContact CD1-CZ3 4.12Å; I41-W110 HydrophobicContact CG1-CZ3 4.42Å; I41-W110 HydrophobicContact CG2-CH2 4.16Å; I41-W110 HydrophobicContact CG2-CZ3 3.76Å; F81-W110 HydrophobicContact CE1-CB 4.44Å; F81-W110 HydrophobicContact CE2-CB 4.3Å; F81-W110 HydrophobicContact CZ-CB 3.9Å; F81-W110 HydrophobicContact CZ-CG 4.3Å; E106-W110 VanDerWaalsContact O-CD1 3.28Å; E106-W110 PolarHBondContact O-N 2.77Å; E106-W110 VanDerWaalsContact O-N 3.11Å; R107-W110 PolarHBondContact O-N 3.05Å; W110-S112 VanDerWaalsContact C-N 3.32Å; W110-S112 PolarHBondContact O-N 2.77Å; W110-V114 HydrophobicContact CE3-CG2 4Å; W110-V114 HydrophobicContact CZ3-CG2 4.48Å; W110-V114 VanDerWaalsContact O-CB 3.27Å; W110-V114 WeakPolarHBondContact O-CB 3.39Å; W110-V114 WeakPolarHBondContact O-CG2 3.33Å; W110-V114 PolarHBondContact O-N 2.88Å |
| 111 | I | 93.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -45.7 | 173.2 | -67 | 167.7 | 0 | 0 | 0 | 110.5 | I66 K68 F81 R107 R115 | I66-I111 HydrophobicContact CD1-CG1 4.38Å; I66-I111 HydrophobicContact CG1-CG1 4.14Å; K68-I111 HydrophobicContact CB-CD1 4.39Å; K68-I111 HydrophobicContact CG-CD1 3.46Å; K68-I111 VanDerWaalsContact CG-CD1 3.46Å; F81-I111 HydrophobicContact CB-CD1 3.91Å; F81-I111 HydrophobicContact CB-CG1 4.07Å; F81-I111 HydrophobicContact CD2-CG1 4.32Å; F81-I111 HydrophobicContact CG-CG1 4.35Å; R107-I111 HydrophobicContact CG-CD1 3.91Å; R107-I111 WeakPolarHBondContact O-CG1 3.18Å; R107-I111 PolarHBondContact O-N 3.07Å; I111-R115 VanDerWaalsContact CG2-NH1 3.34Å; I111-R115 VanDerWaalsContact O-CB 3.29Å; I111-R115 WeakPolarHBondContact O-CB 3.46Å; I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 3.24Å |
| 112 | S | 90.1 | Very high | 88.7 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.8 | -44.9 | -174.5 | -54.7 | 0 | 0 | 0 | 0 | 113 | D108 D109 W110 R115 F116 | D108-S112 VanDerWaalsContact O-CB 3.31Å; D108-S112 WeakPolarHBondContact O-CB 3.4Å; D108-S112 PolarHBondContact O-N 3.42Å; D108-S112 PolarHBondContact O-OG 3.48Å; D109-S112 PolarHBondContact O-N 2.74Å; W110-S112 VanDerWaalsContact C-N 3.32Å; W110-S112 PolarHBondContact O-N 2.77Å; S112-R115 PolarHBondContact O-N 2.98Å; S112-F116 WeakPolarHBondContact O-CB 3.47Å; S112-F116 PolarHBondContact O-N 3.19Å |
| 113 | L | 90.9 | Very high | 88.1 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 178.3 | -73.1 | 163.7 | 0 | 0 | 0 | 111.9 | K10 L36 D109 F116 Y117 | K10-L113 HydrophobicContact CB-CD1 4.45Å; K10-L113 HydrophobicContact CD-CD1 3.67Å; L36-L113 HydrophobicContact CD2-CB 3.87Å; D109-L113 WeakPolarHBondContact O-CB 3.4Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.26Å; L113-F116 WeakPolarHBondContact O-CB 3.46Å; L113-F116 PolarHBondContact O-N 3.5Å; L113-Y117 HydrophobicContact CD2-CE2 4.27Å; L113-Y117 WeakPolarHBondContact O-CD2 3.39Å; L113-Y117 PolarHBondContact O-N 3.33Å |
| 114 | V | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | L36 I41 L60 I66 W110 F116 Y117 T118 | L36-V114 HydrophobicContact CD1-CG2 4.16Å; I41-V114 HydrophobicContact CD1-CG1 4.22Å; I41-V114 HydrophobicContact CD1-CG2 3.62Å; I41-V114 HydrophobicContact CG1-CG2 4.38Å; L60-V114 HydrophobicContact CD2-CG1 4.15Å; I66-V114 HydrophobicContact CB-CG1 4.39Å; I66-V114 HydrophobicContact CD1-CB 3.78Å; I66-V114 HydrophobicContact CD1-CG1 3.87Å; I66-V114 HydrophobicContact CD1-CG2 4.07Å; I66-V114 HydrophobicContact CG2-CB 4.19Å; I66-V114 HydrophobicContact CG2-CG1 3.87Å; W110-V114 HydrophobicContact CE3-CG2 4Å; W110-V114 HydrophobicContact CZ3-CG2 4.48Å; W110-V114 VanDerWaalsContact O-CB 3.27Å; W110-V114 WeakPolarHBondContact O-CB 3.39Å; W110-V114 WeakPolarHBondContact O-CG2 3.33Å; W110-V114 PolarHBondContact O-N 2.88Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.86Å; V114-Y117 PolarHBondContact O-N 2.98Å; V114-T118 HydrophobicContact CG1-CG2 3.78Å; V114-T118 VanDerWaalsContact O-CB 3.26Å; V114-T118 WeakPolarHBondContact O-CB 3.43Å; V114-T118 WeakPolarHBondContact O-CG2 3.34Å; V114-T118 PolarHBondContact O-N 3.2Å; V114-T118 PolarHBondContact O-OG1 2.87Å |
| 115 | R | 89.4 | Confident | 87.2 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.4 | -47.2 | 170.9 | -89.4 | 177.7 | 146.8 | 113.9 | -7.9 | 112.1 | I66 E67 I111 S112 T118 R119 F125 N157 | I66-R115 HydrophobicContact CG2-CG 3.91Å; I66-R115 PolarHBondContact O-NH1 3.14Å; E67-R115 VanDerWaalsContact CD-NH2 3.26Å; E67-R115 IonicContact OE1-CZ 2.68Å; E67-R115 IonicContact OE1-NH1 3.4Å; E67-R115 IonicContact OE1-NH2 3.4Å; E67-R115 PolarHBondContact OE1-NH2 3Å; E67-R115 IonicContact OE2-CZ 3.41Å; E67-R115 IonicContact OE2-NH1 2.7Å; E67-R115 PolarHBondContact OE2-NH1 3Å; E67-R115 IonicContact OE2-NH2 3.28Å; I111-R115 VanDerWaalsContact CG2-NH1 3.34Å; I111-R115 VanDerWaalsContact O-CB 3.29Å; I111-R115 WeakPolarHBondContact O-CB 3.46Å; I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 3.24Å; S112-R115 PolarHBondContact O-N 2.98Å; R115-T118 WeakPolarHBondContact CA-OG1 3.44Å; R115-T118 PolarHBondContact O-OG1 3.33Å; R115-R119 WeakPolarHBondContact O-CB 3.4Å; R115-R119 PolarHBondContact O-N 3.36Å; R115-R119 VanDerWaalsContact O-N 3.11Å; R115-F125 HydrophobicContact CG-CE1 4.26Å; R115-F125 HydrophobicContact CG-CZ 4.47Å; R115-N157 PolarHBondContact NH2-O 3.34Å |
| 116 | F | 85.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.9 | -58.1 | 178.1 | -179.7 | -90.4 | 0 | 0 | 0 | 111.7 | S112 L113 V114 T118 R119 E120 | S112-F116 WeakPolarHBondContact O-CB 3.47Å; S112-F116 PolarHBondContact O-N 3.19Å; L113-F116 WeakPolarHBondContact O-CB 3.46Å; L113-F116 PolarHBondContact O-N 3.5Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.86Å; F116-T118 PolarHBondContact O-N 2.89Å; F116-R119 PolarHBondContact O-N 3.46Å; F116-E120 WeakPolarHBondContact CE1-OE1 3.29Å; F116-E120 PolarHBondContact O-N 3.15Å |
| 117 | Y | 88.1 | Confident | 86.1 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 7% | 0.071 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.8 | -27.2 | -176.3 | -67.8 | -66.8 | 0 | 0 | 0 | 113.8 | L9 L36 L60 L113 V114 E120 R121 | L9-Y117 HydrophobicContact CD1-CD1 4.39Å; L9-Y117 HydrophobicContact CD1-CD2 4.1Å; L9-Y117 HydrophobicContact CD1-CE1 3.99Å; L9-Y117 HydrophobicContact CD1-CE2 3.7Å; L9-Y117 HydrophobicContact CD1-CG 4.45Å; L36-Y117 HydrophobicContact CD2-CD2 4.09Å; L36-Y117 HydrophobicContact CD2-CE2 4.33Å; L60-Y117 VanDerWaalsContact CD1-CB 3.48Å; L113-Y117 HydrophobicContact CD2-CE2 4.27Å; L113-Y117 WeakPolarHBondContact O-CD2 3.39Å; L113-Y117 PolarHBondContact O-N 3.33Å; V114-Y117 PolarHBondContact O-N 2.98Å; Y117-E120 WeakPolarHBondContact CD1-OE2 3.43Å; Y117-R121 VanDerWaalsContact O-CD 3.31Å; Y117-R121 WeakPolarHBondContact O-CD 3.09Å; Y117-R121 WeakPolarHBondContact O-CG 3.42Å; Y117-R121 PolarHBondContact O-NH1 2.9Å |
| 118 | T | 87.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | L60 V63 V114 R115 F116 R121 G122 A123 F125 | L60-T118 HydrophobicContact CB-CG2 3.74Å; L60-T118 HydrophobicContact CD2-CG2 3.98Å; L60-T118 HydrophobicContact CG-CG2 4.28Å; L60-T118 WeakPolarHBondContact O-CG2 3.5Å; V63-T118 HydrophobicContact CB-CG2 3.83Å; V63-T118 HydrophobicContact CG1-CG2 4.2Å; V63-T118 HydrophobicContact CG2-CG2 3.85Å; V114-T118 HydrophobicContact CG1-CG2 3.78Å; V114-T118 VanDerWaalsContact O-CB 3.26Å; V114-T118 WeakPolarHBondContact O-CB 3.43Å; V114-T118 WeakPolarHBondContact O-CG2 3.34Å; V114-T118 PolarHBondContact O-N 3.2Å; V114-T118 PolarHBondContact O-OG1 2.87Å; R115-T118 WeakPolarHBondContact CA-OG1 3.44Å; R115-T118 PolarHBondContact O-OG1 3.33Å; F116-T118 PolarHBondContact O-N 2.89Å; T118-R121 CarbonylContact O-C 3.55Å; T118-R121 PolarHBondContact O-N 3.02Å; T118-G122 PolarHBondContact O-N 2.95Å; T118-A123 VanDerWaalsContact O-CB 3.31Å; T118-A123 WeakPolarHBondContact O-CB 3.32Å; T118-A123 PolarHBondContact O-N 3.36Å; T118-F125 HydrophobicContact CG2-CE2 4.44Å; T118-F125 WeakPolarHBondContact OG1-CE2 3.47Å; T118-F125 WeakPolarHBondContact OG1-CZ 3.4Å |
| 119 | R | 74.8 | Confident | 85.5 | Confident | 202 Ų | 202 | 53.9 Ų | 53.9 | 76% | 0.762 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 177.6 | -175.8 | 178.4 | -178.4 | 154.6 | 4.2 | 112.5 | R115 F116 R121 G122 | R115-R119 WeakPolarHBondContact O-CB 3.4Å; R115-R119 PolarHBondContact O-N 3.36Å; R115-R119 VanDerWaalsContact O-N 3.11Å; F116-R119 PolarHBondContact O-N 3.46Å; R119-R121 PolarHBondContact O-N 3.35Å; R119-R121 VanDerWaalsContact O-N 3.11Å; R119-G122 PolarHBondContact O-N 3.19Å |
| 120 | E | 75.4 | Confident | 85.4 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.2 | 174.5 | -67.7 | -177.4 | 147.6 | 0 | 0 | 113.8 | F116 Y117 | F116-E120 WeakPolarHBondContact CE1-OE1 3.29Å; F116-E120 PolarHBondContact O-N 3.15Å; Y117-E120 WeakPolarHBondContact CD1-OE2 3.43Å |
| 121 | R | 79.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 19.3 | -171.7 | -72.5 | 164.1 | -169.7 | 73 | 0.6 | 113.4 | P38 Y39 S61 Y117 T118 R119 A123 | P38-R121 WeakPolarHBondContact O-CD 3.24Å; P38-R121 PolarHBondContact O-NE 2.89Å; P38-R121 PolarHBondContact O-NH2 2.9Å; Y39-R121 HydrophobicContact CD1-CG 4.43Å; S61-R121 WeakPolarHBondContact CB-O 3.44Å; Y117-R121 VanDerWaalsContact O-CD 3.31Å; Y117-R121 WeakPolarHBondContact O-CD 3.09Å; Y117-R121 WeakPolarHBondContact O-CG 3.42Å; Y117-R121 PolarHBondContact O-NH1 2.9Å; T118-R121 CarbonylContact O-C 3.55Å; T118-R121 PolarHBondContact O-N 3.02Å; R119-R121 PolarHBondContact O-N 3.35Å; R119-R121 VanDerWaalsContact O-N 3.11Å; R121-A123 VanDerWaalsContact C-N 3.28Å; R121-A123 PolarHBondContact O-N 3.31Å |
| 122 | G | 74.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 68% | 0.68 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 24.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T118 R119 S124 | T118-G122 PolarHBondContact O-N 2.95Å; R119-G122 PolarHBondContact O-N 3.19Å; G122-S124 PolarHBondContact O-N 2.87Å; G122-S124 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 80.4 | Confident | 84.8 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | trans | -65.7 | 111.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L60 T118 R121 F125 | L60-A123 WeakPolarHBondContact O-CB 3.18Å; T118-A123 VanDerWaalsContact O-CB 3.31Å; T118-A123 WeakPolarHBondContact O-CB 3.32Å; T118-A123 PolarHBondContact O-N 3.36Å; R121-A123 VanDerWaalsContact C-N 3.28Å; R121-A123 PolarHBondContact O-N 3.31Å; A123-F125 HydrophobicContact CB-CD2 4.09Å; A123-F125 HydrophobicContact CB-CE2 3.96Å; A123-F125 PolarHBondContact O-N 3.49Å | ||
| 124 | S | 79.8 | Confident | 84.3 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 62% | 0.622 | 25% | 0.247 | S | C | * | . | trans | -75.4 | 94.9 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | G122 | G122-S124 PolarHBondContact O-N 2.87Å; G122-S124 VanDerWaalsContact O-N 3.14Å | ||
| 125 | F | 85.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | trans | -69.7 | 151.7 | 175.8 | -87.4 | -138.5 | 0 | 0 | 0 | 111.8 | V63 K64 F65 I66 R115 T118 A123 T156 | V63-F125 HydrophobicContact CB-CE2 4.32Å; V63-F125 HydrophobicContact CG1-CE2 3.83Å; V63-F125 HydrophobicContact CG1-CZ 3.92Å; K64-F125 CarbonylContact O-C 3.55Å; K64-F125 VanDerWaalsContact O-CA 3.27Å; K64-F125 WeakPolarHBondContact O-CA 3.25Å; F65-F125 HydrophobicContact CB-CD1 4.36Å; I66-F125 HydrophobicContact CG2-CE1 4.47Å; I66-F125 HydrophobicContact CG2-CZ 4.25Å; R115-F125 HydrophobicContact CG-CE1 4.26Å; R115-F125 HydrophobicContact CG-CZ 4.47Å; T118-F125 HydrophobicContact CG2-CE2 4.44Å; T118-F125 WeakPolarHBondContact OG1-CE2 3.47Å; T118-F125 WeakPolarHBondContact OG1-CZ 3.4Å; A123-F125 HydrophobicContact CB-CD2 4.09Å; A123-F125 HydrophobicContact CB-CE2 3.96Å; A123-F125 PolarHBondContact O-N 3.49Å; F125-T156 HydrophobicContact CD1-CG2 4.17Å | ||
| 126 | L | 82.7 | Confident | 82.2 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | trans | -80.2 | 142.7 | 172.2 | -68.7 | 167.4 | 0 | 0 | 0 | 110.2 | K64 F65 W94 R128 T156 | K64-L126 HydrophobicContact CB-CD1 3.97Å; K64-L126 HydrophobicContact CB-CG 4.14Å; K64-L126 PolarHBondContact O-N 2.99Å; F65-L126 HydrophobicContact CD1-CB 4.38Å; F65-L126 HydrophobicContact CD1-CD1 3.99Å; F65-L126 HydrophobicContact CE1-CD1 4.12Å; W94-L126 HydrophobicContact CD2-CD1 4.11Å; W94-L126 HydrophobicContact CE3-CD1 4.06Å; W94-L126 HydrophobicContact CH2-CD1 3.51Å; W94-L126 HydrophobicContact CH2-CD2 3.58Å; W94-L126 HydrophobicContact CH2-CG 4.18Å; W94-L126 HydrophobicContact CZ2-CD1 3.54Å; W94-L126 HydrophobicContact CZ2-CD2 4.41Å; W94-L126 HydrophobicContact CZ3-CD1 3.78Å; W94-L126 HydrophobicContact CZ3-CD2 3.69Å; W94-L126 HydrophobicContact CZ3-CG 4.25Å; L126-R128 PolarHBondContact O-N 3.43Å; L126-T156 VanDerWaalsContact O-CB 3.29Å; L126-T156 WeakPolarHBondContact O-CB 3.38Å; L126-T156 PolarHBondContact O-OG1 3.01Å | ||
| 127 | P | 80.6 | Confident | 81 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68.5 | -18.4 | -179.2 | 29.2 | -36.5 | 0 | 0 | 0 | 113 | M151 P155 T156 | P127-M151 HydrophobicContact CG-CE 4.16Å; P127-M151 HydrophobicContact CG-SD 3.95Å; P127-P155 WeakPolarHBondContact O-CA 3.36Å; P127-T156 PolarHBondContact O-N 3Å |
| 128 | R | 85.9 | Confident | 80.1 | Confident | 113 Ų | 113 | 54.4 Ų | 54.4 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.2 | -177.5 | -52.4 | 179.8 | 75.1 | 160.2 | 1.1 | 111.9 | L126 M151 G152 C153 Q154 T156 | L126-R128 PolarHBondContact O-N 3.43Å; R128-M151 HydrophobicContact CB-CG 3.94Å; R128-M151 HydrophobicContact CG-CG 4.28Å; R128-M151 HydrophobicContact CG-SD 4.47Å; R128-G152 WeakPolarHBondContact CB-O 3.01Å; R128-G152 WeakPolarHBondContact CD-O 3.01Å; R128-G152 PolarHBondContact NE-O 3.38Å; R128-G152 PolarHBondContact O-N 2.8Å; R128-C153 PolarHBondContact NH2-O 3.4Å; R128-Q154 CarbonylContact C-O 3.5Å; R128-Q154 WeakPolarHBondContact CA-O 3.28Å; R128-Q154 WeakPolarHBondContact CB-O 3.27Å; R128-T156 PolarHBondContact N-OG1 2.89Å |
| 129 | Y | 90.8 | Very high | 79.7 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161.8 | 176.5 | 79.7 | -71.5 | 0 | 0 | 0 | 111.7 | E67 P131 G152 C153 Q154 P155 | E67-Y129 HydrophobicContact CB-CD1 4.47Å; E67-Y129 HydrophobicContact CB-CD2 3.63Å; E67-Y129 HydrophobicContact CB-CE1 4.31Å; E67-Y129 HydrophobicContact CB-CE2 3.44Å; E67-Y129 VanDerWaalsContact CB-CE2 3.44Å; E67-Y129 HydrophobicContact CB-CG 4.15Å; E67-Y129 HydrophobicContact CG-CD1 3.84Å; E67-Y129 HydrophobicContact CG-CD2 3.91Å; E67-Y129 HydrophobicContact CG-CE1 3.79Å; E67-Y129 HydrophobicContact CG-CE2 3.85Å; E67-Y129 HydrophobicContact CG-CG 3.9Å; Y129-P131 HydrophobicContact CE2-CB 3.87Å; Y129-G152 CarbonylContact O-C 3.48Å; Y129-G152 WeakPolarHBondContact O-CA 3.44Å; Y129-C153 PolarHBondContact O-N 2.96Å; Y129-Q154 HydrophobicContact CD1-CB 4.42Å; Y129-Q154 HydrophobicContact CE1-CB 4.04Å; Y129-Q154 PolarHBondContact N-O 3.35Å; Y129-Q154 PolarHBondContact O-N 3.47Å; Y129-P155 WeakPolarHBondContact CE1-O 3.44Å |
| 130 | H | 89.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | trans | -93.4 | 115.6 | 172.3 | -65.4 | -82.3 | 0 | 0 | 0 | 108.3 | Q82 G132 Y140 C143 D145 | Q82-H130 PolarHBondContact NE2-O 2.95Å; H130-G132 VanDerWaalsContact C-N 3.29Å; H130-Y140 HydrophobicContact CB-CD1 3.53Å; H130-Y140 HydrophobicContact CB-CD2 4.31Å; H130-Y140 HydrophobicContact CB-CE1 3.85Å; H130-Y140 HydrophobicContact CB-CG 3.8Å; H130-Y140 AromaticContact CD2-CD2 3.45Å; H130-Y140 VanDerWaalsContact CD2-CD2 3.45Å; H130-Y140 WeakPolarHBondContact CD2-CD2 2.92Å; H130-Y140 AromaticContact CD2-CE2 3.3Å; H130-Y140 WeakPolarHBondContact CD2-CE2 3.43Å; H130-Y140 AromaticContact CD2-CG 3.85Å; H130-Y140 AromaticContact CD2-CZ 3.61Å; H130-Y140 AromaticContact CE1-CD2 3.73Å; H130-Y140 AromaticContact CG-CD1 3.8Å; H130-Y140 AromaticContact CG-CD2 3.64Å; H130-Y140 AromaticContact CG-CE2 3.91Å; H130-Y140 AromaticContact CG-CG 3.57Å; H130-Y140 AromaticContact ND1-CD2 3.8Å; H130-Y140 AromaticContact ND1-CG 3.82Å; H130-Y140 AromaticContact NE2-CD2 3.53Å; H130-Y140 AromaticContact NE2-CE2 3.54Å; H130-C143 PolarHBondContact ND1-SG 2.91Å; H130-D145 IonicContact CE1-OD2 3.45Å | ||
| 131 | P | 91.3 | Very high | 80.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -72.7 | -24.1 | 177.3 | 31.8 | -38.4 | 0 | 0 | 0 | 112.7 | V69 Q70 Y129 C142 Q154 | V69-P131 WeakPolarHBondContact CA-O 3.34Å; Q70-P131 HydrophobicContact CB-CB 4.47Å; Q70-P131 PolarHBondContact N-O 2.96Å; Y129-P131 HydrophobicContact CE2-CB 3.87Å; P131-C142 HydrophobicContact CG-CB 3.88Å; P131-Q154 HydrophobicContact CG-CB 4.45Å; P131-Q154 HydrophobicContact CG-CG 3.73Å |
| 132 | G | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -78.5 | 162.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H130 S141 C142 | H130-G132 VanDerWaalsContact C-N 3.29Å; G132-S141 WeakPolarHBondContact CA-OG 3.44Å; G132-C142 PolarHBondContact N-SG 3.45Å |
| 133 | V | 88.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -87.9 | 147 | -175.9 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | V69 E73 L74 Y98 K135 S141 | V69-V133 HydrophobicContact CG1-CG2 3.44Å; V69-V133 VanDerWaalsContact CG1-CG2 3.44Å; E73-V133 HydrophobicContact CB-CG2 4.08Å; L74-V133 HydrophobicContact CB-CG2 4.06Å; L74-V133 HydrophobicContact CD1-CB 4.48Å; L74-V133 HydrophobicContact CD1-CG1 3.94Å; L74-V133 HydrophobicContact CD1-CG2 3.62Å; L74-V133 HydrophobicContact CG-CG2 4.46Å; Y98-V133 HydrophobicContact CE1-CG1 4.38Å; Y98-V133 HydrophobicContact CE1-CG2 4.26Å; Y98-V133 HydrophobicContact CE2-CG1 4.3Å; V133-K135 VanDerWaalsContact C-N 3.32Å; V133-K135 HydrophobicContact CB-CG 4.45Å; V133-K135 PolarHBondContact O-N 2.97Å; V133-S141 PolarHBondContact N-OG 3.36Å; V133-S141 PolarHBondContact O-N 3.32Å; V133-S141 PolarHBondContact O-OG 2.92Å | ||
| 134 | W | 81.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 89.6 | 165.3 | -175.3 | -92.1 | 0 | 0 | 0 | 110.4 | Y98 G138 R139 Y140 D145 I146 R148 | Y98-W134 PolarHBondContact OH-N 3.34Å; W134-G138 VanDerWaalsContact CH2-C 3.41Å; W134-G138 WeakPolarHBondContact CH2-O 3.35Å; W134-R139 CarbonylContact C-O 3.6Å; W134-Y140 HydrophobicContact CB-CD1 4.26Å; W134-Y140 HydrophobicContact CB-CE1 4.04Å; W134-Y140 HydrophobicContact CE3-CD1 4.15Å; W134-Y140 AromaticContact CE3-CD2 3.6Å; W134-Y140 HydrophobicContact CE3-CD2 3.6Å; W134-Y140 HydrophobicContact CE3-CE1 4.12Å; W134-Y140 AromaticContact CE3-CE2 3.6Å; W134-Y140 HydrophobicContact CE3-CE2 3.6Å; W134-Y140 AromaticContact CE3-CG 3.89Å; W134-Y140 HydrophobicContact CE3-CG 3.89Å; W134-Y140 AromaticContact CE3-CZ 3.85Å; W134-Y140 AromaticContact CZ3-CD2 3.79Å; W134-Y140 HydrophobicContact CZ3-CD2 3.79Å; W134-Y140 AromaticContact CZ3-CE2 3.88Å; W134-Y140 HydrophobicContact CZ3-CE2 3.88Å; W134-Y140 HydrophobicContact CZ3-CG 4.42Å; W134-D145 WeakPolarHBondContact CZ3-O 3.45Å; W134-I146 WeakPolarHBondContact CH2-O 3.37Å; W134-R148 HydrophobicContact CD2-CB 4.03Å; W134-R148 HydrophobicContact CD2-CG 3.88Å; W134-R148 HydrophobicContact CE3-CB 3.91Å; W134-R148 HydrophobicContact CE3-CG 4.04Å; W134-R148 HydrophobicContact CG-CG 4.28Å; W134-R148 HydrophobicContact CH2-CB 3.81Å; W134-R148 VanDerWaalsContact CH2-N 3.32Å; W134-R148 HydrophobicContact CZ2-CB 3.91Å; W134-R148 VanDerWaalsContact CZ3-CA 3.45Å; W134-R148 HydrophobicContact CZ3-CB 3.82Å; W134-R148 HydrophobicContact CZ3-CG 4.45Å; W134-R148 VanDerWaalsContact CZ3-N 3.27Å |
| 135 | K | 74.5 | Confident | 81.1 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 157.9 | 177.9 | -66.5 | -171.1 | -170.9 | 169.2 | 0 | 110.3 | E73 V133 P137 G138 R139 | E73-K135 WeakPolarHBondContact O-CE 3.07Å; E73-K135 IonicContact OE1-NZ 3.23Å; E73-K135 PolarHBondContact OE1-NZ 3.46Å; E73-K135 VanDerWaalsContact OE1-NZ 3.11Å; E73-K135 WeakPolarHBondContact OE2-CE 3.31Å; E73-K135 IonicContact OE2-NZ 2.65Å; E73-K135 PolarHBondContact OE2-NZ 2.96Å; V133-K135 VanDerWaalsContact C-N 3.32Å; V133-K135 HydrophobicContact CB-CG 4.45Å; V133-K135 PolarHBondContact O-N 2.97Å; K135-P137 CarbonylContact O-C 3.59Å; K135-G138 PolarHBondContact O-N 2.96Å; K135-R139 PolarHBondContact N-O 3.02Å; K135-R139 PolarHBondContact O-N 3.47Å; K135-R139 VanDerWaalsContact O-N 3.15Å |
| 136 | R | 61.4 | Low | 80.5 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 138.7 | 176.5 | -69.5 | 168 | 171 | 165.8 | -16.6 | 108.9 | N20 K22 L23 | N20-R136 PolarHBondContact O-NH2 3.45Å; N20-R136 VanDerWaalsContact O-NH2 3.11Å; K22-R136 PolarHBondContact O-NH2 3.36Å; L23-R136 WeakPolarHBondContact O-CD 3.35Å; L23-R136 PolarHBondContact O-NE 3.47Å; L23-R136 PolarHBondContact O-NH1 3.29Å; L23-R136 PolarHBondContact O-NH2 2.79Å |
| 137 | P | 61.6 | Low | 80 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -74.7 | 126.1 | -3.2 | 30.7 | -34.3 | 0 | 0 | 0 | 112.8 | K135 R139 F688 | K135-P137 CarbonylContact O-C 3.59Å; P137-R139 PolarHBondContact O-N 2.94Å; P137-F688 HydrophobicContact CB-CE2 4.33Å |
| 138 | G | 68.9 | Low | 79.7 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | W134 K135 I146 | W134-G138 VanDerWaalsContact CH2-C 3.41Å; W134-G138 WeakPolarHBondContact CH2-O 3.35Å; K135-G138 PolarHBondContact O-N 2.96Å; G138-I146 WeakPolarHBondContact O-CA 3.46Å |
| 139 | R | 79.7 | Confident | 79 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 158.9 | 179.5 | 70.4 | -163.2 | -166.4 | -86.2 | 1.8 | 116.5 | W134 K135 P137 D144 D145 I146 | W134-R139 CarbonylContact C-O 3.6Å; K135-R139 PolarHBondContact N-O 3.02Å; K135-R139 PolarHBondContact O-N 3.47Å; K135-R139 VanDerWaalsContact O-N 3.15Å; P137-R139 PolarHBondContact O-N 2.94Å; R139-D144 VanDerWaalsContact CD-OD1 3.23Å; R139-D144 WeakPolarHBondContact CD-OD1 3.27Å; R139-D144 IonicContact CZ-OD1 2.76Å; R139-D144 IonicContact NE-OD1 3.3Å; R139-D144 PolarHBondContact NE-OD1 3.34Å; R139-D144 IonicContact NH2-OD1 3.1Å; R139-D145 CarbonylContact C-O 3.52Å; R139-D145 VanDerWaalsContact CA-O 3.23Å; R139-D145 WeakPolarHBondContact CA-O 3.49Å; R139-I146 HydrophobicContact CB-CG2 4.31Å |
| 140 | Y | 82.4 | Confident | 78 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.3 | 170.3 | -75.1 | -73 | 0 | 0 | 0 | 112.3 | L96 H130 W134 C142 C143 D144 D145 S147 R148 | L96-Y140 HydrophobicContact CD1-CE1 3.96Å; L96-Y140 WeakPolarHBondContact CD1-OH 3.36Å; H130-Y140 HydrophobicContact CB-CD1 3.53Å; H130-Y140 HydrophobicContact CB-CD2 4.31Å; H130-Y140 HydrophobicContact CB-CE1 3.85Å; H130-Y140 HydrophobicContact CB-CG 3.8Å; H130-Y140 AromaticContact CD2-CD2 3.45Å; H130-Y140 VanDerWaalsContact CD2-CD2 3.45Å; H130-Y140 WeakPolarHBondContact CD2-CD2 2.92Å; H130-Y140 AromaticContact CD2-CE2 3.3Å; H130-Y140 WeakPolarHBondContact CD2-CE2 3.43Å; H130-Y140 AromaticContact CD2-CG 3.85Å; H130-Y140 AromaticContact CD2-CZ 3.61Å; H130-Y140 AromaticContact CE1-CD2 3.73Å; H130-Y140 AromaticContact CG-CD1 3.8Å; H130-Y140 AromaticContact CG-CD2 3.64Å; H130-Y140 AromaticContact CG-CE2 3.91Å; H130-Y140 AromaticContact CG-CG 3.57Å; H130-Y140 AromaticContact ND1-CD2 3.8Å; H130-Y140 AromaticContact ND1-CG 3.82Å; H130-Y140 AromaticContact NE2-CD2 3.53Å; H130-Y140 AromaticContact NE2-CE2 3.54Å; W134-Y140 HydrophobicContact CB-CD1 4.26Å; W134-Y140 HydrophobicContact CB-CE1 4.04Å; W134-Y140 HydrophobicContact CE3-CD1 4.15Å; W134-Y140 AromaticContact CE3-CD2 3.6Å; W134-Y140 HydrophobicContact CE3-CD2 3.6Å; W134-Y140 HydrophobicContact CE3-CE1 4.12Å; W134-Y140 AromaticContact CE3-CE2 3.6Å; W134-Y140 HydrophobicContact CE3-CE2 3.6Å; W134-Y140 AromaticContact CE3-CG 3.89Å; W134-Y140 HydrophobicContact CE3-CG 3.89Å; W134-Y140 AromaticContact CE3-CZ 3.85Å; W134-Y140 AromaticContact CZ3-CD2 3.79Å; W134-Y140 HydrophobicContact CZ3-CD2 3.79Å; W134-Y140 AromaticContact CZ3-CE2 3.88Å; W134-Y140 HydrophobicContact CZ3-CE2 3.88Å; W134-Y140 HydrophobicContact CZ3-CG 4.42Å; Y140-C142 PolarHBondContact O-N 2.53Å; Y140-C142 VanDerWaalsContact O-N 3.12Å; Y140-C143 PolarHBondContact O-N 2.74Å; Y140-D144 VanDerWaalsContact O-CA 3.22Å; Y140-D144 WeakPolarHBondContact O-CA 3.32Å; Y140-D144 PolarHBondContact O-N 3.13Å; Y140-D145 HydrophobicContact CD2-CB 4.3Å; Y140-D145 PolarHBondContact N-O 3.3Å; Y140-S147 WeakPolarHBondContact CE2-O 3.29Å; Y140-R148 PolarHBondContact OH-O 3.3Å |
| 141 | S | 86.6 | Confident | 77.3 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.8 | -173.7 | 57.7 | 0 | 0 | 0 | 0 | 116.9 | E73 G132 V133 | E73-S141 WeakPolarHBondContact OE2-CB 3.26Å; E73-S141 PolarHBondContact OE2-OG 2.8Å; G132-S141 WeakPolarHBondContact CA-OG 3.44Å; V133-S141 PolarHBondContact N-OG 3.36Å; V133-S141 PolarHBondContact O-N 3.32Å; V133-S141 PolarHBondContact O-OG 2.92Å |
| 142 | C | 86.4 | Confident | 76.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 25% | 0.25 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.5 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | P131 G132 Y140 C153 | P131-C142 HydrophobicContact CG-CB 3.88Å; G132-C142 PolarHBondContact N-SG 3.45Å; Y140-C142 PolarHBondContact O-N 2.53Å; Y140-C142 VanDerWaalsContact O-N 3.12Å; C142-C153 PolarHBondContact SG-SG 2.92Å |
| 143 | C | 84.8 | Confident | 76.8 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -162.9 | 10.8 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | H130 Y140 D145 C153 | H130-C143 PolarHBondContact ND1-SG 2.91Å; Y140-C143 PolarHBondContact O-N 2.74Å; C143-D145 PolarHBondContact O-N 2.94Å; C143-C153 HydrophobicContact CB-CB 3.92Å |
| 144 | D | 80.5 | Confident | 76.6 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 23.9 | -175.2 | -66.8 | -57.1 | 0 | 0 | 0 | 115.9 | R139 Y140 I146 | R139-D144 VanDerWaalsContact CD-OD1 3.23Å; R139-D144 WeakPolarHBondContact CD-OD1 3.27Å; R139-D144 IonicContact CZ-OD1 2.76Å; R139-D144 IonicContact NE-OD1 3.3Å; R139-D144 PolarHBondContact NE-OD1 3.34Å; R139-D144 IonicContact NH2-OD1 3.1Å; Y140-D144 VanDerWaalsContact O-CA 3.22Å; Y140-D144 WeakPolarHBondContact O-CA 3.32Å; Y140-D144 PolarHBondContact O-N 3.13Å; D144-I146 PolarHBondContact O-N 2.96Å |
| 145 | D | 72 | Confident | 76.7 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -64.7 | 121.4 | 178.1 | -171.7 | -42 | 0 | 0 | 0 | 110.7 | H130 W134 R139 Y140 C143 S147 S150 | H130-D145 IonicContact CE1-OD2 3.45Å; W134-D145 WeakPolarHBondContact CZ3-O 3.45Å; R139-D145 CarbonylContact C-O 3.52Å; R139-D145 VanDerWaalsContact CA-O 3.23Å; R139-D145 WeakPolarHBondContact CA-O 3.49Å; Y140-D145 HydrophobicContact CD2-CB 4.3Å; Y140-D145 PolarHBondContact N-O 3.3Å; C143-D145 PolarHBondContact O-N 2.94Å; D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 PolarHBondContact O-N 3.01Å; D145-S147 PolarHBondContact OD1-N 3.38Å; D145-S150 VanDerWaalsContact CG-CB 3.45Å; D145-S150 VanDerWaalsContact CG-OG 3.23Å; D145-S150 WeakPolarHBondContact OD1-CB 3.11Å; D145-S150 PolarHBondContact OD1-OG 3.41Å; D145-S150 WeakPolarHBondContact OD2-CB 3.48Å; D145-S150 PolarHBondContact OD2-OG 3Å; D145-S150 VanDerWaalsContact OD2-OG 3.1Å |
| 146 | I | 72.7 | Confident | 77.1 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | trans | -86.1 | 3.4 | -172.2 | 62.9 | 168.2 | 0 | 0 | 0 | 114.5 | W134 G138 R139 D144 A375 | W134-I146 WeakPolarHBondContact CH2-O 3.37Å; G138-I146 WeakPolarHBondContact O-CA 3.46Å; R139-I146 HydrophobicContact CB-CG2 4.31Å; D144-I146 PolarHBondContact O-N 2.96Å; I146-A375 HydrophobicContact CD1-CB 4.2Å | ||
| 147 | S | 73.5 | Confident | 77.2 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | trans | -115 | 118.6 | 175.5 | 142.7 | 0 | 0 | 0 | 0 | 110.9 | Y140 D145 R149 S150 | Y140-S147 WeakPolarHBondContact CE2-O 3.29Å; D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 PolarHBondContact O-N 3.01Å; D145-S147 PolarHBondContact OD1-N 3.38Å; S147-R149 PolarHBondContact O-N 3.49Å; S147-R149 PolarHBondContact OG-N 3.31Å; S147-S150 WeakPolarHBondContact CB-OG 3.37Å; S147-S150 WeakPolarHBondContact O-CB 3.31Å; S147-S150 PolarHBondContact O-N 2.85Å; S147-S150 VanDerWaalsContact O-N 3.08Å; S147-S150 PolarHBondContact O-OG 3.22Å; S147-S150 VanDerWaalsContact O-OG 3.05Å; S147-S150 PolarHBondContact OG-N 2.88Å; S147-S150 VanDerWaalsContact OG-N 3.17Å; S147-S150 PolarHBondContact OG-OG 2.71Å | ||
| 148 | R | 72.8 | Confident | 76.6 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.1 | 179.1 | -166.2 | 173 | 175.5 | 132.5 | -0.9 | 113.2 | W134 Y140 | W134-R148 HydrophobicContact CD2-CB 4.03Å; W134-R148 HydrophobicContact CD2-CG 3.88Å; W134-R148 HydrophobicContact CE3-CB 3.91Å; W134-R148 HydrophobicContact CE3-CG 4.04Å; W134-R148 HydrophobicContact CG-CG 4.28Å; W134-R148 HydrophobicContact CH2-CB 3.81Å; W134-R148 VanDerWaalsContact CH2-N 3.32Å; W134-R148 HydrophobicContact CZ2-CB 3.91Å; W134-R148 VanDerWaalsContact CZ3-CA 3.45Å; W134-R148 HydrophobicContact CZ3-CB 3.82Å; W134-R148 HydrophobicContact CZ3-CG 4.45Å; W134-R148 VanDerWaalsContact CZ3-N 3.27Å; Y140-R148 PolarHBondContact OH-O 3.3Å |
| 149 | R | 71.5 | Confident | 75.4 | Confident | 118 Ų | 118 | 68.8 Ų | 68.8 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 1.5 | -178.9 | -56.4 | 178 | -175 | -123.9 | 4.7 | 113 | T93 W94 S147 | T93-R149 PolarHBondContact OG1-NH1 2.88Å; W94-R149 WeakPolarHBondContact CZ2-O 3.4Å; S147-R149 PolarHBondContact O-N 3.49Å; S147-R149 PolarHBondContact OG-N 3.31Å |
| 150 | S | 71.3 | Confident | 73.3 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -61.9 | 155.3 | -177 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | D145 S147 | D145-S150 VanDerWaalsContact CG-CB 3.45Å; D145-S150 VanDerWaalsContact CG-OG 3.23Å; D145-S150 WeakPolarHBondContact OD1-CB 3.11Å; D145-S150 PolarHBondContact OD1-OG 3.41Å; D145-S150 WeakPolarHBondContact OD2-CB 3.48Å; D145-S150 PolarHBondContact OD2-OG 3Å; D145-S150 VanDerWaalsContact OD2-OG 3.1Å; S147-S150 WeakPolarHBondContact CB-OG 3.37Å; S147-S150 WeakPolarHBondContact O-CB 3.31Å; S147-S150 PolarHBondContact O-N 2.85Å; S147-S150 VanDerWaalsContact O-N 3.08Å; S147-S150 PolarHBondContact O-OG 3.22Å; S147-S150 VanDerWaalsContact O-OG 3.05Å; S147-S150 PolarHBondContact OG-N 2.88Å; S147-S150 VanDerWaalsContact OG-N 3.17Å; S147-S150 PolarHBondContact OG-OG 2.71Å |
| 151 | M | 74.6 | Confident | 70.8 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 130.5 | 170.3 | -174.1 | 176.2 | -64.2 | 0 | 0 | 108.9 | P127 R128 | P127-M151 HydrophobicContact CG-CE 4.16Å; P127-M151 HydrophobicContact CG-SD 3.95Å; R128-M151 HydrophobicContact CB-CG 3.94Å; R128-M151 HydrophobicContact CG-CG 4.28Å; R128-M151 HydrophobicContact CG-SD 4.47Å |
| 152 | G | 82.6 | Confident | 68.5 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 159.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | R128 Y129 | R128-G152 WeakPolarHBondContact CB-O 3.01Å; R128-G152 WeakPolarHBondContact CD-O 3.01Å; R128-G152 PolarHBondContact NE-O 3.38Å; R128-G152 PolarHBondContact O-N 2.8Å; Y129-G152 CarbonylContact O-C 3.48Å; Y129-G152 WeakPolarHBondContact O-CA 3.44Å |
| 153 | C | 85.5 | Confident | 66.3 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -78.4 | -26.2 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | R128 Y129 C142 C143 | R128-C153 PolarHBondContact NH2-O 3.4Å; Y129-C153 PolarHBondContact O-N 2.96Å; C142-C153 PolarHBondContact SG-SG 2.92Å; C143-C153 HydrophobicContact CB-CB 3.92Å |
| 154 | Q | 85 | Confident | 64.3 | Low | 101 Ų | 101 | 79.9 Ų | 79.9 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.2 | 175 | -68.9 | -62.4 | -15.6 | 0 | 0 | 111.6 | R128 Y129 P131 | R128-Q154 CarbonylContact C-O 3.5Å; R128-Q154 WeakPolarHBondContact CA-O 3.28Å; R128-Q154 WeakPolarHBondContact CB-O 3.27Å; Y129-Q154 HydrophobicContact CD1-CB 4.42Å; Y129-Q154 HydrophobicContact CE1-CB 4.04Å; Y129-Q154 PolarHBondContact N-O 3.35Å; Y129-Q154 PolarHBondContact O-N 3.47Å; P131-Q154 HydrophobicContact CG-CB 4.45Å; P131-Q154 HydrophobicContact CG-CG 3.73Å |
| 155 | P | 83.4 | Confident | 62.6 | Low | 74 Ų | 74 | 77.7 Ų | 77.7 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 139 | 171 | 29.6 | -33.8 | 0 | 0 | 0 | 110.1 | P127 Y129 N157 | P127-P155 WeakPolarHBondContact O-CA 3.36Å; Y129-P155 WeakPolarHBondContact CE1-O 3.44Å; P155-N157 PolarHBondContact O-N 2.78Å |
| 156 | T | 81.2 | Confident | 60.9 | Low | 17 Ų | 17 | 80.5 Ų | 80.5 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 128.1 | 168.7 | -52.5 | 0 | 0 | 0 | 0 | 107.5 | F65 E67 F125 L126 P127 R128 E158 | F65-T156 HydrophobicContact CB-CG2 4.26Å; E67-T156 HydrophobicContact CG-CG2 4.19Å; F125-T156 HydrophobicContact CD1-CG2 4.17Å; L126-T156 VanDerWaalsContact O-CB 3.29Å; L126-T156 WeakPolarHBondContact O-CB 3.38Å; L126-T156 PolarHBondContact O-OG1 3.01Å; P127-T156 PolarHBondContact O-N 3Å; R128-T156 PolarHBondContact N-OG1 2.89Å; T156-E158 PolarHBondContact O-N 3.02Å |
| 157 | N | 64.6 | Low | 59.3 | Low | 87 Ų | 87 | 81.9 Ų | 81.9 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 136.9 | -172 | -69.8 | -73.3 | 0 | 0 | 0 | 111.6 | E67 R115 P155 P159 | E67-N157 PolarHBondContact OE1-N 3.39Å; E67-N157 PolarHBondContact OE1-ND2 2.8Å; R115-N157 PolarHBondContact NH2-O 3.34Å; P155-N157 PolarHBondContact O-N 2.78Å; N157-P159 HydrophobicContact CB-CG 4.25Å; N157-P159 WeakPolarHBondContact O-CD 3.4Å |
| 158 | E | 48.2 | Very low | 57.9 | Low | 170 Ų | 170 | 84.7 Ų | 84.7 | 79% | 0.794 | 47% | 0.465 | S | S | * | . | trans | -107.5 | 85.1 | 163.6 | -83.6 | -79.2 | 173.3 | 0 | 0 | 107.9 | T156 | T156-E158 PolarHBondContact O-N 3.02Š| ||
| 159 | P | 44.5 | Very low | 56.2 | Low | 87 Ų | 87 | 85.5 Ų | 85.5 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | trans | -82.4 | 139 | 175.5 | -2.6 | 22.8 | 0 | 0 | 0 | 110 | N157 | N157-P159 HydrophobicContact CB-CG 4.25Å; N157-P159 WeakPolarHBondContact O-CD 3.4Å | ||
| 160 | G | 34.5 | Very low | 54.9 | Low | 60 Ų | 60 | 86.8 Ų | 86.8 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | trans | -61.6 | 174.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S162 | G160-S162 PolarHBondContact O-N 3.4Å; G160-S162 VanDerWaalsContact O-N 3.12Å | ||
| 161 | P | 31.3 | Very low | 53.7 | Low | 132 Ų | 132 | 91.3 Ų | 91.3 | 86% | 0.857 | 50% | 0.5 | S | S | * | . | trans | -59.6 | 115.9 | -171.9 | 24.1 | -34.3 | 0 | 0 | 0 | 112.6 | V163 | P161-V163 PolarHBondContact O-N 3.13Š| ||
| 162 | S | 38.2 | Very low | 51.9 | Low | 79 Ų | 79 | 89.7 Ų | 89.7 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | trans | -82.9 | 105.4 | 171.2 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | G160 V164 I165 | G160-S162 PolarHBondContact O-N 3.4Å; G160-S162 VanDerWaalsContact O-N 3.12Å; S162-V164 PolarHBondContact O-N 2.77Å; S162-I165 PolarHBondContact O-N 2.95Å | ||
| 163 | V | 39.1 | Very low | 50.1 | Low | 97 Ų | 97 | 91.7 Ų | 91.7 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -51.9 | -27.2 | -177.2 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | P161 I165 E166 Q167 | P161-V163 PolarHBondContact O-N 3.13Å; V163-I165 VanDerWaalsContact C-N 3.31Å; V163-I165 PolarHBondContact O-N 3.02Å; V163-E166 PolarHBondContact O-N 2.86Å; V163-Q167 HydrophobicContact CG1-CG 4.47Å; V163-Q167 PolarHBondContact O-N 3.11Å |
| 164 | V | 44 | Very low | 47.6 | Very low | 86 Ų | 86 | 93.2 Ų | 93.2 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | -177 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | S162 L168 | S162-V164 PolarHBondContact O-N 2.77Å; V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 WeakPolarHBondContact O-CG 3.47Å; V164-L168 PolarHBondContact O-N 2.94Å; V164-L168 VanDerWaalsContact O-N 3.12Å |
| 165 | I | 43.3 | Very low | 45.5 | Very low | 44 Ų | 44 | 93.2 Ų | 93.2 | 23% | 0.226 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -74 | -33.6 | -178.7 | -67.4 | -178.6 | 0 | 0 | 0 | 111.4 | S162 V163 L168 W169 | S162-I165 PolarHBondContact O-N 2.95Å; V163-I165 VanDerWaalsContact C-N 3.31Å; V163-I165 PolarHBondContact O-N 3.02Å; I165-L168 PolarHBondContact O-N 3.21Å; I165-W169 WeakPolarHBondContact O-CB 2.98Å; I165-W169 PolarHBondContact O-N 3.5Å |
| 166 | E | 36.3 | Very low | 43 | Very low | 106 Ų | 106 | 97.1 Ų | 97.1 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.2 | -36 | 178.3 | -157.1 | -168.5 | 140.8 | 0 | 0 | 111.6 | V163 W169 R170 | V163-E166 PolarHBondContact O-N 2.86Å; E166-W169 PolarHBondContact O-N 2.94Å; E166-R170 WeakPolarHBondContact O-CB 3.35Å; E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.41Å; E166-R170 PolarHBondContact O-N 2.67Å; E166-R170 IonicContact OE1-CZ 3.21Å; E166-R170 IonicContact OE1-NE 2.72Å; E166-R170 PolarHBondContact OE1-NE 2.48Å; E166-R170 IonicContact OE1-NH2 2.68Å; E166-R170 PolarHBondContact OE1-NH2 2.81Å |
| 167 | Q | 40.5 | Very low | 40.7 | Very low | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -46.8 | 171.3 | -71.1 | -178.6 | -46 | 0 | 0 | 111.4 | V163 W169 R170 T171 | V163-Q167 HydrophobicContact CG1-CG 4.47Å; V163-Q167 PolarHBondContact O-N 3.11Å; Q167-W169 VanDerWaalsContact C-N 3.31Å; Q167-W169 PolarHBondContact O-N 2.78Å; Q167-R170 PolarHBondContact O-N 2.88Å; Q167-T171 PolarHBondContact O-N 2.79Å; Q167-T171 PolarHBondContact O-OG1 3.14Å |
| 168 | L | 43.9 | Very low | 39.2 | Very low | 109 Ų | 109 | 105.2 Ų | 105.2 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.9 | -38.4 | 175.4 | -72.9 | 170.2 | 0 | 0 | 0 | 112.4 | V164 I165 A172 | V164-L168 HydrophobicContact CG1-CD1 4.29Å; V164-L168 WeakPolarHBondContact O-CG 3.47Å; V164-L168 PolarHBondContact O-N 2.94Å; V164-L168 VanDerWaalsContact O-N 3.12Å; I165-L168 PolarHBondContact O-N 3.21Å; L168-A172 WeakPolarHBondContact O-CB 3.46Å; L168-A172 PolarHBondContact O-N 3.08Å |
| 169 | W | 36.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 46% | 0.458 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.4 | -46.8 | 174.5 | -179.6 | -88 | 0 | 0 | 0 | 112.1 | I165 E166 Q167 A172 T173 | I165-W169 WeakPolarHBondContact O-CB 2.98Å; I165-W169 PolarHBondContact O-N 3.5Å; E166-W169 PolarHBondContact O-N 2.94Å; Q167-W169 VanDerWaalsContact C-N 3.31Å; Q167-W169 PolarHBondContact O-N 2.78Å; W169-A172 PolarHBondContact O-N 3.41Å; W169-T173 HydrophobicContact CD2-CG2 4.11Å; W169-T173 HydrophobicContact CG-CG2 4.4Å; W169-T173 HydrophobicContact CZ2-CG2 4.04Å; W169-T173 WeakPolarHBondContact O-CB 3.41Å; W169-T173 WeakPolarHBondContact O-CG2 3.21Å; W169-T173 PolarHBondContact O-N 2.96Å; W169-T173 PolarHBondContact O-OG1 2.89Å |
| 170 | R | 43.5 | Very low | 37.8 | Very low | 145 Ų | 145 | 106.1 Ų | 106.1 | 55% | 0.547 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.4 | -46.2 | 177.2 | -72.9 | 167.9 | -179.6 | -111.5 | 8.4 | 111.2 | E166 Q167 A172 T173 G174 | E166-R170 WeakPolarHBondContact O-CB 3.35Å; E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.41Å; E166-R170 PolarHBondContact O-N 2.67Å; E166-R170 IonicContact OE1-CZ 3.21Å; E166-R170 IonicContact OE1-NE 2.72Å; E166-R170 PolarHBondContact OE1-NE 2.48Å; E166-R170 IonicContact OE1-NH2 2.68Å; E166-R170 PolarHBondContact OE1-NH2 2.81Å; Q167-R170 PolarHBondContact O-N 2.88Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.07Å; R170-T173 PolarHBondContact O-N 2.86Å; R170-G174 PolarHBondContact O-N 2.83Å; R170-G174 VanDerWaalsContact O-N 3.09Å |
| 171 | T | 46.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -35 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | Q167 | Q167-T171 PolarHBondContact O-N 2.79Å; Q167-T171 PolarHBondContact O-OG1 3.14Å |
| 172 | A | 37.9 | Very low | 37.3 | Very low | 86 Ų | 86 | 112 Ų | 112 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.2 | -14.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L168 W169 R170 | L168-A172 WeakPolarHBondContact O-CB 3.46Å; L168-A172 PolarHBondContact O-N 3.08Å; W169-A172 PolarHBondContact O-N 3.41Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.07Å |
| 173 | T | 43.8 | Very low | 37 | Very low | 45 Ų | 45 | 117.1 Ų | 117.1 | 28% | 0.276 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -111.8 | -10.9 | -176.4 | 54 | 0 | 0 | 0 | 0 | 114.7 | W169 R170 V175 | W169-T173 HydrophobicContact CD2-CG2 4.11Å; W169-T173 HydrophobicContact CG-CG2 4.4Å; W169-T173 HydrophobicContact CZ2-CG2 4.04Å; W169-T173 WeakPolarHBondContact O-CB 3.41Å; W169-T173 WeakPolarHBondContact O-CG2 3.21Å; W169-T173 PolarHBondContact O-N 2.96Å; W169-T173 PolarHBondContact O-OG1 2.89Å; R170-T173 PolarHBondContact O-N 2.86Å; T173-V175 VanDerWaalsContact C-N 3.27Å; T173-V175 PolarHBondContact O-N 3.08Å |
| 174 | G | 34 | Very low | 36.4 | Very low | 65 Ų | 65 | 120 Ų | 120 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.5 | 26 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R170 D176 | R170-G174 PolarHBondContact O-N 2.83Å; R170-G174 VanDerWaalsContact O-N 3.09Å; G174-D176 PolarHBondContact O-N 2.78Å |
| 175 | V | 39.2 | Very low | 35.9 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | trans | -88 | 83 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | T173 | T173-V175 VanDerWaalsContact C-N 3.27Å; T173-V175 PolarHBondContact O-N 3.08Å | ||
| 176 | D | 31.1 | Very low | 35.4 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -71.3 | 124.9 | 165.9 | -79.6 | -36.9 | 0 | 0 | 0 | 110.6 | G174 | G174-D176 PolarHBondContact O-N 2.78Š| ||
| 177 | S | 34 | Very low | 35.3 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -159 | 121.2 | 164.6 | -78.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | N | 33.7 | Very low | 35 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -78.3 | 168.3 | -177.1 | -78.8 | -62 | 0 | 0 | 0 | 113.1 | ||||
| 179 | N | 32.5 | Very low | 34.5 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | 96.6 | 153.6 | 158.1 | -143.3 | -0.2 | 0 | 0 | 0 | 118.1 | ||||
| 180 | C | 28.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 68.2 | 92.7 | -179.9 | -64.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 181 | Q | 24 | Very low | 33.9 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -85.4 | 163.3 | 150.1 | -69.3 | -178 | -41.3 | 0 | 0 | 110.8 | ||||
| 182 | P | 32.4 | Very low | 33.2 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | -136.5 | 155.4 | 123.1 | 27.8 | -10.6 | 0 | 0 | 0 | 115.7 | |||||
| 183 | Q | 30.8 | Very low | 33 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 161.9 | -166 | -62.5 | 160 | -23.8 | 0 | 0 | 118.2 | ||||
| 184 | I | 27.2 | Very low | 32.5 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -127.8 | 130.1 | 162.9 | -57.1 | 173.2 | 0 | 0 | 0 | 108.8 | ||||
| 185 | P | 34.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 143.1 | 170.3 | -13.5 | 30.3 | 0 | 0 | 0 | 113.2 | ||||
| 186 | Q | 32.4 | Very low | 31.9 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -104.7 | 156 | 173.8 | -64.4 | 177.2 | -15.2 | 0 | 0 | 111.9 | ||||
| 187 | A | 34.3 | Very low | 32 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -152.4 | 135.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 188 | A | 33.1 | Very low | 31.9 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -157.4 | 146.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 189 | T | 34.1 | Very low | 32 | Very low | 142 Ų | 142 | 137 Ų | 137 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -163.5 | 129.1 | 162.7 | 19 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 190 | T | 32.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | cis | 102.5 | 93.8 | 11.8 | -51.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 191 | A | 35 | Very low | 32.2 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -174.2 | 129.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 192 | N | 32.1 | Very low | 32.5 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | 98.4 | 153.2 | 32.4 | -77.2 | -9.5 | 0 | 0 | 0 | 114.4 | ||||
| 193 | I | 33.7 | Very low | 32.5 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 136 | -179.4 | -51.8 | 171.8 | 0 | 0 | 0 | 114.5 | ||||
| 194 | V | 33.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | cis | -165.4 | 161.7 | -45.4 | 125.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 195 | T | 30.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -32.8 | 160.9 | 176.6 | 64.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 196 | N | 29.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -176.9 | -180 | 47.3 | -153.3 | -10.9 | 0 | 0 | 0 | 113.9 | ||||
| 197 | T | 33.7 | Very low | 32.3 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 67.5 | 161.5 | 166.6 | 66.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 198 | Q | 31.1 | Very low | 32 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | cis | -166.9 | 162 | -49.4 | -101.7 | -94 | -25.8 | 0 | 0 | 106.8 | ||||
| 199 | P | 35.6 | Very low | 31.6 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | trans | -116.3 | 156.6 | -159.1 | 39.9 | -29.8 | 0 | 0 | 0 | 117.2 | ||||
| 200 | Y | 29.8 | Very low | 31.4 | Very low | 234 Ų | 234 | 136.9 Ų | 136.9 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | trans | -148.3 | 157.7 | 160.5 | -83.9 | -71.9 | 0 | 0 | 0 | 112.7 | ||||
| 201 | P | 35.7 | Very low | 31 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -104.4 | -155.9 | -173.6 | 42.7 | -36.4 | 0 | 0 | 0 | 113.9 | ||||
| 202 | V | 32 | Very low | 30.8 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 106.5 | 136.8 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 203 | S | 32.4 | Very low | 30.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -164.9 | 168.4 | -18.6 | -93.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | T | 29.4 | Very low | 30.5 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -96.1 | 156 | 172.6 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 205 | P | 34.5 | Very low | 30.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -125 | 140.3 | 128.6 | 35.4 | -27.1 | 0 | 0 | 0 | 110.9 | |||||
| 206 | Q | 32 | Very low | 30.2 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | 81.4 | 143.2 | 56.4 | -86.7 | -163.6 | -16.1 | 0 | 0 | 116 | |||||
| 207 | L | 24.2 | Very low | 30 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 153.6 | -173.9 | -75.1 | 69.2 | 0 | 0 | 0 | 112.5 | ||||
| 208 | V | 28.7 | Very low | 29.7 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -131.2 | 125.5 | 150.1 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | M210 | V208-M210 HydrophobicContact CG1-CG 4.41Š| ||
| 209 | T | 24.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -94.6 | 137.1 | 169.9 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 210 | M | 28.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -127.8 | 112.4 | 165.2 | -75.5 | -170.2 | 69.3 | 0 | 0 | 110.9 | V208 L212 | V208-M210 HydrophobicContact CG1-CG 4.41Å; M210-L212 HydrophobicContact CE-CD1 4.29Å | ||
| 211 | Q | 25.3 | Very low | 29.2 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -88.2 | 141.3 | 156.2 | -63.8 | 175.3 | -88.4 | 0 | 0 | 108.2 | ||||
| 212 | L | 30.8 | Very low | 29.2 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -136.9 | 117 | 158.8 | -92.2 | 171.1 | 0 | 0 | 0 | 109 | M210 | M210-L212 HydrophobicContact CE-CD1 4.29Š| ||
| 213 | N | 26 | Very low | 29 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -92.6 | 141.2 | 172.1 | -63.7 | -29.4 | 0 | 0 | 0 | 109.4 | ||||
| 214 | S | 32.9 | Very low | 28.8 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -158.6 | 116.6 | 152 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 215 | N | 26.7 | Very low | 28.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 142.3 | -177.4 | -42 | -54.3 | 0 | 0 | 0 | 114.3 | ||||
| 216 | V | 31.2 | Very low | 28.5 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -162.8 | 113.2 | 137.3 | 177.6 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 217 | Q | 25.8 | Very low | 28.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | cis | 81.3 | 131.4 | 25 | -148.3 | -174.4 | 9.6 | 0 | 0 | 115.6 | ||||
| 218 | L | 27 | Very low | 28.9 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 74.9 | 141.3 | 179.2 | -46.6 | 176.9 | 0 | 0 | 0 | 113.9 | ||||
| 219 | T | 29.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -153.1 | 127.2 | -1.1 | -2.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | S | 27.9 | Very low | 29.4 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | trans | 48.9 | 141.5 | 130.6 | 70.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 221 | N | 28.8 | Very low | 29.6 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | 103.6 | 146.8 | 133.4 | -78.6 | 3.5 | 0 | 0 | 0 | 121.1 | ||||
| 222 | P | 35.4 | Very low | 29.9 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | trans | -138.2 | -153.3 | -140.6 | 32.1 | -5.2 | 0 | 0 | 0 | 113.4 | ||||
| 223 | L | 28.3 | Very low | 30 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | 75.1 | 155.7 | 163.7 | -58 | 169.1 | 0 | 0 | 0 | 115.7 | ||||
| 224 | S | 27.9 | Very low | 30.3 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | cis | -177.2 | 156.9 | -24 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 225 | V | 28.2 | Very low | 30.3 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | 57.3 | 163.7 | 163.6 | -92 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 226 | S | 28.9 | Very low | 30.6 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | cis | -153.1 | -166.7 | -11.1 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 227 | D | 34.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | 91 | 142.9 | 152.4 | -55.3 | -10 | 0 | 0 | 0 | 119.8 | ||||
| 228 | L | 28.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | cis | -172.6 | 152.2 | -44.3 | -114.1 | 171.3 | 0 | 0 | 0 | 110 | ||||
| 229 | N | 30.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 116 Ų | 116 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | 61.1 | 145.5 | 164.7 | -55.8 | -39.1 | 0 | 0 | 0 | 117.2 | ||||
| 230 | S | 34.5 | Very low | 30.9 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -154 | 118.6 | 33.7 | -64.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 231 | T | 31.8 | Very low | 31 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | 75.5 | 148.5 | 82.6 | 58.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 232 | N | 32.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | 78.7 | 139.9 | 167.1 | -61.7 | -14.4 | 0 | 0 | 0 | 117.8 | ||||
| 233 | I | 33.4 | Very low | 31.2 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | cis | -156.3 | 149.9 | -2 | -123.9 | 166 | 0 | 0 | 0 | 111.5 | ||||
| 234 | T | 31.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | 18.1 | 146.7 | 161.6 | 63 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 235 | S | 32.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -170.1 | -158.5 | -4.8 | 50.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 236 | T | 33.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | cis | -155.3 | -178.5 | 10 | -21.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 237 | S | 29.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -85.7 | -177.6 | 171.5 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 238 | A | 31.8 | Very low | 31.2 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | cis | -147.8 | -157 | 20.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 239 | S | 29.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -152.4 | 157.6 | -145.3 | -48.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 240 | F | 28.7 | Very low | 31.7 | Very low | 196 Ų | 196 | 120 Ų | 120 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | 66.2 | 169.8 | 171.6 | -55.4 | -78.7 | 0 | 0 | 0 | 115 | ||||
| 241 | I | 31.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 121 Ų | 121 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | cis | -139.4 | 147.1 | 11.3 | -57.7 | 163.8 | 0 | 0 | 0 | 109.8 | ||||
| 242 | P | 37.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -104.5 | 151.1 | 169 | 37.9 | -31 | 0 | 0 | 0 | 113.8 | ||||
| 243 | L | 30.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -167.8 | 139.4 | 164.7 | -104.3 | 153 | 0 | 0 | 0 | 113.4 | ||||
| 244 | T | 29 | Very low | 31.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | 23.6 | 156.9 | 144 | 50.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 245 | S | 28.9 | Very low | 31.5 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | 174.8 | 151.2 | -21.6 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 246 | A | 28.9 | Very low | 31.6 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 63.3 | 168 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 247 | V | 28.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | cis | -159.2 | 146.8 | -30.1 | 135.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 248 | G | 32.2 | Very low | 31.7 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | 159.5 | 70.8 | 166 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 249 | L | 28.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | 46.8 | 164 | 135.4 | -66.5 | 170.3 | 0 | 0 | 0 | 122.6 | ||||
| 250 | P | 41.3 | Very low | 32 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -125.3 | -144.4 | -155.5 | 42.9 | -26 | 0 | 0 | 0 | 114.2 | ||||
| 251 | V | 30.2 | Very low | 32.2 | Very low | 124 Ų | 124 | 126 Ų | 126 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 81.5 | 147.8 | 173.8 | -165.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 252 | L | 30.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | cis | -100.2 | -139.8 | -3.1 | -93.3 | 101.7 | 0 | 0 | 0 | 111.5 | ||||
| 253 | H | 32.5 | Very low | 32.2 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | -168.7 | -173.3 | -89.8 | -168.1 | -120.7 | 0 | 0 | 0 | 110.9 | |||||
| 254 | Q | 33.2 | Very low | 32.4 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | 75.9 | 141.8 | 172.5 | -52.7 | -174.3 | 18.3 | 0 | 0 | 116.4 | ||||
| 255 | T | 33.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | cis | -153.3 | 158.8 | -7.3 | 7.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 256 | P | 32.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -108.3 | 162.4 | -176.9 | 39.8 | -32.7 | 0 | 0 | 0 | 115.3 | ||||
| 257 | G | 36.4 | Very low | 32.5 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -177.5 | 152.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 258 | L | 29.5 | Very low | 32.5 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | cis | 162.7 | 147.8 | -40.2 | -172.4 | 85.9 | 0 | 0 | 0 | 105.7 | ||||
| 259 | S | 32.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 72.8 | 150.2 | -178.1 | 84.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 260 | T | 35.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | cis | -130 | 156.7 | 10.7 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 261 | P | 32.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -104.1 | 156.7 | 170.6 | 38.3 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 262 | V | 36.2 | Very low | 31.9 | Very low | 144 Ų | 144 | 131 Ų | 131 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -135 | 129.8 | 162.7 | -178.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 263 | T | 32.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -88.6 | 143.7 | -174.2 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 264 | G | 33.3 | Very low | 32.5 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -162.2 | 85.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 265 | V | 30.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 61.4 | 116 | 158 | -172.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 266 | L | 29.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 138.7 | 160.2 | -76.6 | 155.3 | 0 | 0 | 0 | 111 | ||||
| 267 | M | 30.1 | Very low | 35.7 | Very low | 187 Ų | 187 | 118.7 Ų | 118.7 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -146.3 | 141.1 | 137.2 | -100.7 | -56.6 | 168.6 | 0 | 0 | 110 | ||||
| 268 | S | 27.6 | Very low | 37.2 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -97.9 | 133.1 | -178.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 269 | T | 30.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 114 Ų | 114 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -169.4 | 143.2 | 143.1 | 8.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 270 | A | 27.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -77.7 | 129 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 271 | V | 32.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 113 Ų | 113 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -116.6 | 81.6 | 170.5 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | S273 | V271-S273 PolarHBondContact O-N 2.75Š| ||
| 272 | T | 30.6 | Very low | 43.8 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | trans | -66 | 99.2 | 159.7 | 39.5 | 0 | 0 | 0 | 0 | 108 | S274 | T272-S274 PolarHBondContact O-N 2.76Å; T272-S274 PolarHBondContact O-OG 2.88Å | ||
| 273 | S | 34.3 | Very low | 45.3 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 52.7 | 179.9 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | V271 I275 | V271-S273 PolarHBondContact O-N 2.75Å; S273-I275 PolarHBondContact O-N 3.17Å; S273-I275 VanDerWaalsContact O-N 3.17Å | ||
| 274 | S | 40.5 | Very low | 47.1 | Very low | 99 Ų | 99 | 108.2 Ų | 108.2 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | trans | -59.3 | 116 | 160.4 | 51.5 | 0 | 0 | 0 | 0 | 108.3 | T272 S276 | T272-S274 PolarHBondContact O-N 2.76Å; T272-S274 PolarHBondContact O-OG 2.88Å; S274-S276 PolarHBondContact O-N 2.82Å; S274-S276 VanDerWaalsContact O-N 3.07Å | ||
| 275 | I | 50.3 | Low | 49.2 | Very low | 102 Ų | 102 | 110 Ų | 110 | 52% | 0.523 | 64% | 0.64 | S | S | . | * | trans | -55.8 | 117.1 | 171.9 | -59.3 | 174.1 | 0 | 0 | 0 | 106.9 | S273 T279 L280 | S273-I275 PolarHBondContact O-N 3.17Å; S273-I275 VanDerWaalsContact O-N 3.17Å; I275-T279 HydrophobicContact CG2-CG2 3.94Å; I275-L280 HydrophobicContact CG2-CB 3.92Å; I275-L280 HydrophobicContact CG2-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CG 4.02Å | ||
| 276 | S | 56.1 | Low | 51.5 | Low | 47 Ų | 47 | 110.3 Ų | 110.3 | 33% | 0.329 | 63% | 0.632 | S | S | . | * | trans | -58.7 | 147 | -176.6 | 83.7 | 0 | 0 | 0 | 0 | 109.9 | S274 S278 T279 L280 | S274-S276 PolarHBondContact O-N 2.82Å; S274-S276 VanDerWaalsContact O-N 3.07Å; S276-S278 PolarHBondContact O-N 2.91Å; S276-S278 VanDerWaalsContact O-N 3.09Å; S276-T279 WeakPolarHBondContact O-CA 3.11Å; S276-T279 PolarHBondContact O-N 2.62Å; S276-T279 PolarHBondContact OG-N 3.37Å; S276-T279 PolarHBondContact OG-OG1 3.21Å; S276-L280 PolarHBondContact O-N 3.26Å | ||
| 277 | P | 59.7 | Low | 53.7 | Low | 111 Ų | 111 | 108.7 Ų | 108.7 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.3 | -35.5 | 177.3 | -28.6 | 36.1 | 0 | 0 | 0 | 112.7 | L280 F281 | P277-L280 PolarHBondContact O-N 3.18Å; P277-F281 WeakPolarHBondContact O-CB 3.14Å; P277-F281 PolarHBondContact O-N 2.7Å |
| 278 | S | 68.9 | Low | 55.9 | Low | 84 Ų | 84 | 106 Ų | 106 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 174.5 | -46.1 | 0 | 0 | 0 | 0 | 113.2 | S276 Q282 | S276-S278 PolarHBondContact O-N 2.91Å; S276-S278 VanDerWaalsContact O-N 3.09Å; S278-Q282 WeakPolarHBondContact O-CG 3.45Å; S278-Q282 PolarHBondContact O-N 3.39Å |
| 279 | T | 62.6 | Low | 58.4 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.4 | -39.3 | 175.9 | -48.7 | 0 | 0 | 0 | 0 | 111.2 | I275 S276 Q282 I283 | I275-T279 HydrophobicContact CG2-CG2 3.94Å; S276-T279 WeakPolarHBondContact O-CA 3.11Å; S276-T279 PolarHBondContact O-N 2.62Å; S276-T279 PolarHBondContact OG-N 3.37Å; S276-T279 PolarHBondContact OG-OG1 3.21Å; T279-Q282 PolarHBondContact O-N 3.37Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 2.8Å |
| 280 | L | 60.7 | Low | 60.5 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -41.6 | 176.8 | -137.3 | 166.7 | 0 | 0 | 0 | 110.3 | I275 S276 P277 I283 Q284 | I275-L280 HydrophobicContact CG2-CB 3.92Å; I275-L280 HydrophobicContact CG2-CD1 4.43Å; I275-L280 HydrophobicContact CG2-CG 4.02Å; S276-L280 PolarHBondContact O-N 3.26Å; P277-L280 PolarHBondContact O-N 3.18Å; L280-I283 PolarHBondContact O-N 2.96Å; L280-Q284 WeakPolarHBondContact O-CB 3.3Å; L280-Q284 PolarHBondContact O-N 3.16Å |
| 281 | F | 74.3 | Confident | 62.6 | Low | 124 Ų | 124 | 105.3 Ų | 105.3 | 54% | 0.544 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 172.3 | -174.5 | -95 | 0 | 0 | 0 | 112.4 | P277 Q284 Q285 | P277-F281 WeakPolarHBondContact O-CB 3.14Å; P277-F281 PolarHBondContact O-N 2.7Å; F281-Q284 PolarHBondContact O-N 2.94Å; F281-Q285 VanDerWaalsContact O-CB 3.31Å; F281-Q285 WeakPolarHBondContact O-CB 3Å; F281-Q285 PolarHBondContact O-N 3.36Å |
| 282 | Q | 71 | Confident | 64.7 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61 | -44.8 | 173.8 | -81.2 | -179.6 | -23.9 | 0 | 0 | 112.2 | S278 T279 Q284 Q285 Q286 | S278-Q282 WeakPolarHBondContact O-CG 3.45Å; S278-Q282 PolarHBondContact O-N 3.39Å; T279-Q282 PolarHBondContact O-N 3.37Å; Q282-Q284 VanDerWaalsContact C-N 3.33Å; Q282-Q284 PolarHBondContact O-N 2.79Å; Q282-Q285 PolarHBondContact O-N 2.93Å; Q282-Q286 VanDerWaalsContact O-CB 3.3Å; Q282-Q286 WeakPolarHBondContact O-CB 3.35Å; Q282-Q286 PolarHBondContact O-N 3.32Å |
| 283 | I | 67.2 | Low | 66.8 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.5 | -69.1 | 165.1 | 0 | 0 | 0 | 110.5 | T279 L280 Q286 Q287 | T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 2.8Å; L280-I283 PolarHBondContact O-N 2.96Å; I283-Q286 PolarHBondContact O-N 3.34Å; I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.29Å; I283-Q287 WeakPolarHBondContact O-CG 3.2Å; I283-Q287 PolarHBondContact O-N 2.84Å |
| 284 | Q | 71 | Confident | 68.6 | Low | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 178.4 | -169 | 173 | 9.5 | 0 | 0 | 112.3 | L280 F281 Q282 Q287 Q288 | L280-Q284 WeakPolarHBondContact O-CB 3.3Å; L280-Q284 PolarHBondContact O-N 3.16Å; F281-Q284 PolarHBondContact O-N 2.94Å; Q282-Q284 VanDerWaalsContact C-N 3.33Å; Q282-Q284 PolarHBondContact O-N 2.79Å; Q284-Q287 PolarHBondContact O-N 3.28Å; Q284-Q288 WeakPolarHBondContact O-CG 3.2Å; Q284-Q288 PolarHBondContact O-N 3.15Å |
| 285 | Q | 78.5 | Confident | 70 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.6 | -170.1 | 178.3 | 61 | 0 | 0 | 111.4 | F281 Q282 Q288 L289 | F281-Q285 VanDerWaalsContact O-CB 3.31Å; F281-Q285 WeakPolarHBondContact O-CB 3Å; F281-Q285 PolarHBondContact O-N 3.36Å; Q282-Q285 PolarHBondContact O-N 2.93Å; Q285-Q288 PolarHBondContact O-N 3.39Å; Q285-L289 WeakPolarHBondContact O-CB 3.45Å; Q285-L289 PolarHBondContact O-N 3.26Å |
| 286 | Q | 79 | Confident | 70.8 | Confident | 150 Ų | 150 | 105.1 Ų | 105.1 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | 175.6 | -165.2 | 176 | 43.7 | 0 | 0 | 111.8 | Q282 I283 L289 L290 | Q282-Q286 VanDerWaalsContact O-CB 3.3Å; Q282-Q286 WeakPolarHBondContact O-CB 3.35Å; Q282-Q286 PolarHBondContact O-N 3.32Å; I283-Q286 PolarHBondContact O-N 3.34Å; Q286-L289 PolarHBondContact O-N 2.89Å; Q286-L290 PolarHBondContact O-N 3.49Å |
| 287 | Q | 75.3 | Confident | 71.1 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 171.5 | -75.3 | 177.7 | 15.3 | 0 | 0 | 112.4 | I283 Q284 L289 L290 L291 | I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.29Å; I283-Q287 WeakPolarHBondContact O-CG 3.2Å; I283-Q287 PolarHBondContact O-N 2.84Å; Q284-Q287 PolarHBondContact O-N 3.28Å; Q287-L289 VanDerWaalsContact C-N 3.35Å; Q287-L290 PolarHBondContact O-N 3.27Å; Q287-L291 WeakPolarHBondContact O-CB 3.43Å; Q287-L291 PolarHBondContact O-N 3.43Å |
| 288 | Q | 76.9 | Confident | 71.2 | Confident | 131 Ų | 131 | 107.4 Ų | 107.4 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 173.6 | -78.5 | -178.2 | -12.2 | 0 | 0 | 112 | Q284 Q285 L291 Q292 | Q284-Q288 WeakPolarHBondContact O-CG 3.2Å; Q284-Q288 PolarHBondContact O-N 3.15Å; Q285-Q288 PolarHBondContact O-N 3.39Å; Q288-L291 WeakPolarHBondContact O-CB 3.42Å; Q288-L291 PolarHBondContact O-N 3.31Å; Q288-Q292 WeakPolarHBondContact O-CB 3.22Å; Q288-Q292 PolarHBondContact O-N 2.86Å |
| 289 | L | 80 | Confident | 70.6 | Confident | 94 Ų | 94 | 106 Ų | 106 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | -179.7 | -145.6 | 135.2 | 0 | 0 | 0 | 111.7 | Q285 Q286 Q287 Q292 Q293 | Q285-L289 WeakPolarHBondContact O-CB 3.45Å; Q285-L289 PolarHBondContact O-N 3.26Å; Q286-L289 PolarHBondContact O-N 2.89Å; Q287-L289 VanDerWaalsContact C-N 3.35Å; L289-Q292 PolarHBondContact O-N 3.04Å; L289-Q293 PolarHBondContact O-N 3.38Å |
| 290 | L | 74.3 | Confident | 70.2 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 171.9 | -157.2 | 82.9 | 0 | 0 | 0 | 112 | Q286 Q287 Q292 K294 | Q286-L290 PolarHBondContact O-N 3.49Å; Q287-L290 PolarHBondContact O-N 3.27Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; L290-K294 WeakPolarHBondContact O-CB 3.31Å; L290-K294 PolarHBondContact O-N 2.79Å |
| 291 | L | 71.5 | Confident | 69.7 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 175.5 | -146.4 | 80.4 | 0 | 0 | 0 | 111.3 | Q287 Q288 K294 Q295 | Q287-L291 WeakPolarHBondContact O-CB 3.43Å; Q287-L291 PolarHBondContact O-N 3.43Å; Q288-L291 WeakPolarHBondContact O-CB 3.42Å; Q288-L291 PolarHBondContact O-N 3.31Å; L291-K294 PolarHBondContact O-N 3.12Å; L291-Q295 WeakPolarHBondContact O-CG 2.98Å; L291-Q295 PolarHBondContact O-N 3.21Å |
| 292 | Q | 75.7 | Confident | 68.2 | Low | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.8 | -168.9 | 175.3 | 49.9 | 0 | 0 | 111.8 | Q288 L289 L290 K294 Q295 Q296 | Q288-Q292 WeakPolarHBondContact O-CB 3.22Å; Q288-Q292 PolarHBondContact O-N 2.86Å; L289-Q292 PolarHBondContact O-N 3.04Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; Q292-K294 VanDerWaalsContact C-N 3.35Å; Q292-K294 PolarHBondContact O-N 2.8Å; Q292-Q295 PolarHBondContact O-N 3.44Å; Q292-Q296 WeakPolarHBondContact O-CG 2.95Å; Q292-Q296 PolarHBondContact O-N 2.84Å |
| 293 | Q | 75.5 | Confident | 66.9 | Low | 101 Ų | 101 | 106.4 Ų | 106.4 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 171.9 | -74.5 | -175.7 | -3.3 | 0 | 0 | 111.8 | L289 Q295 Q296 Q297 | L289-Q293 PolarHBondContact O-N 3.38Å; Q293-Q295 VanDerWaalsContact C-N 3.34Å; Q293-Q295 PolarHBondContact O-N 3.09Å; Q293-Q296 PolarHBondContact O-N 2.96Å; Q293-Q297 PolarHBondContact O-N 2.9Å |
| 294 | K | 72 | Confident | 65.7 | Low | 110 Ų | 110 | 107.3 Ų | 107.3 | 48% | 0.478 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 175.8 | -170.3 | 174.3 | -178.6 | 178.8 | 0 | 112.3 | L290 L291 Q292 L298 | L290-K294 WeakPolarHBondContact O-CB 3.31Å; L290-K294 PolarHBondContact O-N 2.79Å; L291-K294 PolarHBondContact O-N 3.12Å; Q292-K294 VanDerWaalsContact C-N 3.35Å; Q292-K294 PolarHBondContact O-N 2.8Å; K294-L298 HydrophobicContact CG-CD1 4.32Å; K294-L298 WeakPolarHBondContact O-CB 3.38Å; K294-L298 WeakPolarHBondContact O-CG 3.32Å; K294-L298 PolarHBondContact O-N 2.84Å |
| 295 | Q | 69.8 | Low | 64.4 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | 172.7 | -76.5 | 177.6 | -6.5 | 0 | 0 | 112.2 | L291 Q292 Q293 L298 A299 | L291-Q295 WeakPolarHBondContact O-CG 2.98Å; L291-Q295 PolarHBondContact O-N 3.21Å; Q292-Q295 PolarHBondContact O-N 3.44Å; Q293-Q295 VanDerWaalsContact C-N 3.34Å; Q293-Q295 PolarHBondContact O-N 3.09Å; Q295-L298 PolarHBondContact O-N 2.98Å; Q295-A299 WeakPolarHBondContact O-CB 3.36Å; Q295-A299 PolarHBondContact O-N 2.76Å |
| 296 | Q | 67.6 | Low | 62.7 | Low | 108 Ų | 108 | 104.3 Ų | 104.3 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175 | -74.9 | 175.4 | -17.5 | 0 | 0 | 112.1 | Q292 Q293 A299 M300 | Q292-Q296 WeakPolarHBondContact O-CG 2.95Å; Q292-Q296 PolarHBondContact O-N 2.84Å; Q293-Q296 PolarHBondContact O-N 2.96Å; Q296-A299 PolarHBondContact O-N 2.85Å; Q296-M300 HydrophobicContact CB-CE 4.17Å; Q296-M300 WeakPolarHBondContact O-CE 3.48Å; Q296-M300 WeakPolarHBondContact O-CG 3.3Å; Q296-M300 PolarHBondContact O-N 3.25Å |
| 297 | Q | 62 | Low | 60.8 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 172.7 | -74.1 | -178.8 | -13 | 0 | 0 | 112 | Q293 A299 M300 L301 | Q293-Q297 PolarHBondContact O-N 2.9Å; Q297-A299 PolarHBondContact O-N 2.92Å; Q297-M300 PolarHBondContact O-N 3.05Å; Q297-L301 WeakPolarHBondContact O-CG 3.09Å; Q297-L301 PolarHBondContact O-N 3.41Å |
| 298 | L | 61.4 | Low | 59.1 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 175.8 | -73.9 | 168.1 | 0 | 0 | 0 | 112.6 | K294 Q295 L301 A302 | K294-L298 HydrophobicContact CG-CD1 4.32Å; K294-L298 WeakPolarHBondContact O-CB 3.38Å; K294-L298 WeakPolarHBondContact O-CG 3.32Å; K294-L298 PolarHBondContact O-N 2.84Å; Q295-L298 PolarHBondContact O-N 2.98Å; L298-L301 PolarHBondContact O-N 2.68Å; L298-A302 WeakPolarHBondContact O-CB 2.97Å; L298-A302 PolarHBondContact O-N 3.08Å |
| 299 | A | 56.1 | Low | 57.2 | Low | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q295 Q296 Q297 A302 N303 | Q295-A299 WeakPolarHBondContact O-CB 3.36Å; Q295-A299 PolarHBondContact O-N 2.76Å; Q296-A299 PolarHBondContact O-N 2.85Å; Q297-A299 PolarHBondContact O-N 2.92Å; A299-A302 PolarHBondContact O-N 3.11Å; A299-N303 PolarHBondContact O-N 3.39Å |
| 300 | M | 53.9 | Low | 55.2 | Low | 117 Ų | 117 | 100.9 Ų | 100.9 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 173 | -73.9 | -177.5 | -96.1 | 0 | 0 | 111.8 | Q296 Q297 N304 | Q296-M300 HydrophobicContact CB-CE 4.17Å; Q296-M300 WeakPolarHBondContact O-CE 3.48Å; Q296-M300 WeakPolarHBondContact O-CG 3.3Å; Q296-M300 PolarHBondContact O-N 3.25Å; Q297-M300 PolarHBondContact O-N 3.05Å; M300-N304 PolarHBondContact O-N 2.8Å |
| 301 | L | 50.4 | Low | 53.4 | Low | 107 Ų | 107 | 102.3 Ų | 102.3 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68 | -32.3 | 174.7 | -70.6 | 168.1 | 0 | 0 | 0 | 113.1 | Q297 L298 N305 | Q297-L301 WeakPolarHBondContact O-CG 3.09Å; Q297-L301 PolarHBondContact O-N 3.41Å; L298-L301 PolarHBondContact O-N 2.68Å; L301-N305 PolarHBondContact O-ND2 2.75Å |
| 302 | A | 43.4 | Very low | 51.7 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.2 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L298 A299 N304 N305 A306 | L298-A302 WeakPolarHBondContact O-CB 2.97Å; L298-A302 PolarHBondContact O-N 3.08Å; A299-A302 PolarHBondContact O-N 3.11Å; A302-N304 VanDerWaalsContact C-N 3.3Å; A302-N304 PolarHBondContact O-N 3.11Å; A302-N305 PolarHBondContact O-N 2.85Å; A302-N305 VanDerWaalsContact O-N 3.15Å; A302-A306 PolarHBondContact O-N 3.16Å |
| 303 | N | 43.6 | Very low | 49.8 | Very low | 126 Ų | 126 | 105.8 Ų | 105.8 | 67% | 0.674 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.1 | -38.2 | 179.4 | -83 | -2.5 | 0 | 0 | 0 | 112.5 | A299 N305 A306 | A299-N303 PolarHBondContact O-N 3.39Å; N303-N305 VanDerWaalsContact C-N 3.26Å; N303-N305 PolarHBondContact O-N 2.89Å; N303-A306 PolarHBondContact O-N 2.72Å |
| 304 | N | 42.6 | Very low | 47.9 | Very low | 90 Ų | 90 | 106.5 Ų | 106.5 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -21.1 | 179.2 | -79.6 | 3.7 | 0 | 0 | 0 | 114.2 | M300 A302 H520 | M300-N304 PolarHBondContact O-N 2.8Å; A302-N304 VanDerWaalsContact C-N 3.3Å; A302-N304 PolarHBondContact O-N 3.11Å; N304-H520 PolarHBondContact ND2-CE1 3.1Å |
| 305 | N | 43.1 | Very low | 46.2 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 40% | 0.401 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -94.4 | -18 | 177.2 | -73.2 | -71.5 | 0 | 0 | 0 | 113.5 | L301 A302 N303 G307 N518 | L301-N305 PolarHBondContact O-ND2 2.75Å; A302-N305 PolarHBondContact O-N 2.85Å; A302-N305 VanDerWaalsContact O-N 3.15Å; N303-N305 VanDerWaalsContact C-N 3.26Å; N303-N305 PolarHBondContact O-N 2.89Å; N305-G307 PolarHBondContact O-N 3.27Å; N305-N518 PolarHBondContact OD1-ND2 3.11Å |
| 306 | A | 41.9 | Very low | 44.5 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.4 | -24 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A302 N303 | A302-A306 PolarHBondContact O-N 3.16Å; N303-A306 PolarHBondContact O-N 2.72Å |
| 307 | G | 39.4 | Very low | 43 | Very low | 55 Ų | 55 | 113 Ų | 113 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -20 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N305 S310 | N305-G307 PolarHBondContact O-N 3.27Å; G307-S310 PolarHBondContact O-OG 3.47Å |
| 308 | Q | 39.5 | Very low | 41.7 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -16.3 | -168.8 | -71.8 | -177.2 | -19.4 | 0 | 0 | 115.1 | ||
| 309 | F | 37 | Very low | 40.4 | Very low | 179 Ų | 179 | 120.5 Ų | 120.5 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -0 | -177.8 | -92.6 | -87.8 | 0 | 0 | 0 | 115.2 | ||
| 310 | S | 38 | Very low | 39.1 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 46% | 0.462 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -22.4 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | G307 | G307-S310 PolarHBondContact O-OG 3.47Š|
| 311 | H | 37.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 70% | 0.704 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -92.2 | -24.7 | -168 | -83.9 | -81.8 | 0 | 0 | 0 | 116.2 | ||
| 312 | L | 35.2 | Very low | 37.3 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 81% | 0.806 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -75.5 | -32.5 | -176.3 | -115.1 | 71 | 0 | 0 | 0 | 114.1 | N314 | L312-N314 PolarHBondContact O-N 2.71Å; L312-N314 VanDerWaalsContact O-N 3.15Å |
| 313 | N | 35.3 | Very low | 36.8 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -71.4 | -7.7 | -173.5 | -88.7 | -37.4 | 0 | 0 | 0 | 115.2 | ||
| 314 | N | 36.8 | Very low | 36 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -91.2 | -10.8 | -178.2 | -75.7 | -50.4 | 0 | 0 | 0 | 114.5 | L312 | L312-N314 PolarHBondContact O-N 2.71Å; L312-N314 VanDerWaalsContact O-N 3.15Å |
| 315 | A | 34.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -76.9 | -31 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R317 | A315-R317 PolarHBondContact O-N 2.97Š|
| 316 | L | 36 | Very low | 34.6 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -93.1 | 21.4 | -171.6 | -81.7 | 161.2 | 0 | 0 | 0 | 114.8 | ||
| 317 | R | 34.3 | Very low | 34.1 | Very low | 221 Ų | 221 | 144.1 Ų | 144.1 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -123.6 | 21.7 | -176.7 | -83.9 | -169.5 | 168.9 | -154.6 | -1.6 | 115.2 | A315 | A315-R317 PolarHBondContact O-N 2.97Š|
| 318 | R | 35 | Very low | 33.4 | Very low | 238 Ų | 238 | 146.3 Ų | 146.3 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -129 | 45.2 | -175.7 | -70.9 | -168 | 175.1 | -168.9 | -0.1 | 115.9 | ||
| 319 | S | 34.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -158.5 | 133.9 | 157.5 | 45.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 320 | G | 29.2 | Very low | 32.2 | Very low | 67 Ų | 67 | 148.6 Ų | 148.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -172.9 | -177.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 321 | M | 33.9 | Very low | 31.5 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 73.6 | 140.5 | -164.4 | -59.7 | 179.8 | 164.5 | 0 | 0 | 113 | ||||
| 322 | N | 33.2 | Very low | 31 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | cis | -140.7 | 131.6 | -6 | -91.5 | -30.6 | 0 | 0 | 0 | 108.3 | ||||
| 323 | Q | 31.9 | Very low | 30.3 | Very low | 161 Ų | 161 | 158 Ų | 158 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 60.7 | 117.7 | 90.2 | -72.9 | -154.1 | 25.6 | 0 | 0 | 118.1 | |||||
| 324 | N | 27 | Very low | 29.9 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 105 | 138.2 | -59.6 | -20.2 | 0 | 0 | 0 | 121.4 | ||||
| 325 | R | 30.2 | Very low | 29.3 | Very low | 259 Ų | 259 | 157.2 Ų | 157.2 | 98% | 0.977 | 80% | 0.802 | S | S | * | * | -164.5 | 148 | 113 | -102.1 | 165.4 | -170.8 | -170.3 | 2.7 | 109.7 | |||||
| 326 | G | 26 | Very low | 29 | Very low | 71 Ų | 71 | 161.3 Ų | 161.3 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -118.4 | 154.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 327 | H | 31.5 | Very low | 28.5 | Very low | 197 Ų | 197 | 161 Ų | 161 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | trans | -146.2 | 144.7 | 163.5 | -110.8 | -93.3 | 0 | 0 | 0 | 109.4 | ||||
| 328 | S | 24.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -82 | 147.6 | 170.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 329 | L | 26.2 | Very low | 28.1 | Very low | 136 Ų | 136 | 152.7 Ų | 152.7 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | 171.4 | 127.9 | 132.9 | -90.9 | 160 | 0 | 0 | 0 | 113.5 | ||||
| 330 | R | 26 | Very low | 28.4 | Very low | 221 Ų | 221 | 153.8 Ų | 153.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 68 | 145.9 | 146.9 | -65.4 | 175.2 | -176.7 | 179.5 | 2.7 | 121.1 | ||||
| 331 | Y | 21.7 | Very low | 29 | Very low | 237 Ų | 237 | 152.4 Ų | 152.4 | 93% | 0.929 | 77% | 0.768 | S | S | * | * | trans | -59.1 | 125.9 | 167.5 | -101.5 | -114.6 | 0 | 0 | 0 | 111.5 | ||||
| 332 | I | 26.9 | Very low | 30 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -139.1 | 136.8 | 157.2 | -59.1 | -177.7 | 0 | 0 | 0 | 106.6 | P334 | I332-P334 WeakPolarHBondContact O-CD 3.3Š| ||
| 333 | Q | 21.9 | Very low | 32 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -74.4 | 126.3 | 176.5 | -67.3 | 173.5 | -61.1 | 0 | 0 | 110.2 | T335 | Q333-T335 PolarHBondContact O-N 2.68Š| ||
| 334 | P | 26.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | trans | -84.3 | 109 | 167.7 | 32.6 | -30 | 0 | 0 | 0 | 109.5 | I332 F336 | I332-P334 WeakPolarHBondContact O-CD 3.3Å; P334-F336 HydrophobicContact CB-CD2 3.94Å; P334-F336 HydrophobicContact CB-CE2 3.98Å; P334-F336 HydrophobicContact CG-CD2 4.36Å; P334-F336 HydrophobicContact CG-CE2 4.45Å; P334-F336 PolarHBondContact O-N 3.12Å; P334-F336 VanDerWaalsContact O-N 3.11Å | ||
| 335 | T | 24.5 | Very low | 37.1 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 68% | 0.675 | S | S | * | * | trans | -67.9 | 101.5 | 161.6 | 46 | 0 | 0 | 0 | 0 | 108.3 | Q333 | Q333-T335 PolarHBondContact O-N 2.68Š| ||
| 336 | F | 28.5 | Very low | 39.6 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 75% | 0.746 | 63% | 0.632 | S | S | * | * | trans | -90.1 | 113.4 | 169.5 | -96.1 | -90.2 | 0 | 0 | 0 | 109.4 | P334 M338 | P334-F336 HydrophobicContact CB-CD2 3.94Å; P334-F336 HydrophobicContact CB-CE2 3.98Å; P334-F336 HydrophobicContact CG-CD2 4.36Å; P334-F336 HydrophobicContact CG-CE2 4.45Å; P334-F336 PolarHBondContact O-N 3.12Å; P334-F336 VanDerWaalsContact O-N 3.11Å; F336-M338 HydrophobicContact CB-CG 4.32Å; F336-M338 PolarHBondContact O-N 3.29Å | ||
| 337 | D | 25.1 | Very low | 42.4 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 88% | 0.882 | 60% | 0.598 | S | S | * | * | trans | -61.8 | 114 | 158.7 | -62.5 | -56.6 | 0 | 0 | 0 | 107.6 | ||||
| 338 | M | 27.8 | Very low | 44.3 | Very low | 148 Ų | 148 | 110.9 Ų | 110.9 | 73% | 0.729 | 56% | 0.561 | S | S | * | * | trans | -105.2 | 135.1 | -178.9 | -72.8 | -166.8 | 69.1 | 0 | 0 | 110.4 | F336 E340 | F336-M338 HydrophobicContact CB-CG 4.32Å; F336-M338 PolarHBondContact O-N 3.29Å; M338-E340 PolarHBondContact O-N 3.31Å; M338-E340 VanDerWaalsContact O-N 3.1Å | ||
| 339 | D | 33.7 | Very low | 46.9 | Very low | 136 Ų | 136 | 107.7 Ų | 107.7 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | trans | -54 | 109.7 | -176.9 | -152.2 | -32.6 | 0 | 0 | 0 | 111.8 | G341 | D339-G341 PolarHBondContact O-N 2.99Š| ||
| 340 | E | 39.1 | Very low | 49.7 | Very low | 150 Ų | 150 | 105.2 Ų | 105.2 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -65 | -16.4 | -168.9 | -66.5 | -165.5 | 136 | 0 | 0 | 113.5 | M338 T344 | M338-E340 PolarHBondContact O-N 3.31Å; M338-E340 VanDerWaalsContact O-N 3.1Å; E340-T344 WeakPolarHBondContact O-CG2 3.34Å |
| 341 | G | 43.4 | Very low | 52.6 | Low | 37 Ų | 37 | 95.1 Ų | 95.1 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -68.4 | -54.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D339 N343 T344 | D339-G341 PolarHBondContact O-N 2.99Å; G341-N343 VanDerWaalsContact C-N 3.3Å; G341-N343 PolarHBondContact O-N 3.34Å; G341-T344 PolarHBondContact O-OG1 2.77Å |
| 342 | E | 53.2 | Low | 55.8 | Low | 132 Ų | 132 | 90.2 Ų | 90.2 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -17.6 | -162.1 | -63.2 | -149.2 | 121.7 | 0 | 0 | 115.3 | ||
| 343 | N | 75.4 | Confident | 58.5 | Low | 75 Ų | 75 | 85.6 Ų | 85.6 | 40% | 0.401 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 19.4 | -170.3 | -127.9 | 8.1 | 0 | 0 | 0 | 113.9 | G341 Y368 V369 | G341-N343 VanDerWaalsContact C-N 3.3Å; G341-N343 PolarHBondContact O-N 3.34Å; N343-Y368 CarbonylContact O-C 3.55Å; N343-V369 PolarHBondContact O-N 2.71Å |
| 344 | T | 81.9 | Confident | 61.2 | Low | 12 Ų | 12 | 78.5 Ų | 78.5 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 161.1 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | E340 G341 Y367 Y368 P398 | E340-T344 WeakPolarHBondContact O-CG2 3.34Å; G341-T344 PolarHBondContact O-OG1 2.77Å; T344-Y367 CarbonylContact C-O 3.54Å; T344-Y367 WeakPolarHBondContact CA-O 3.14Å; T344-Y368 HydrophobicContact CG2-CD1 3.66Å; T344-Y368 HydrophobicContact CG2-CE1 3.66Å; T344-Y368 HydrophobicContact CG2-CG 4.48Å; T344-P398 WeakPolarHBondContact O-CD 3.47Å; T344-P398 VanDerWaalsContact OG1-CG 3.26Å; T344-P398 WeakPolarHBondContact OG1-CG 3.29Å |
| 345 | V | 84.2 | Confident | 63.7 | Low | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.8 | 165.4 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | K366 Y367 V369 W378 V380 V395 H396 K397 | V345-K366 WeakPolarHBondContact O-CA 3.42Å; V345-Y367 PolarHBondContact N-O 3.27Å; V345-Y367 PolarHBondContact O-N 2.89Å; V345-V369 HydrophobicContact CB-CG2 4.31Å; V345-V369 HydrophobicContact CG1-CG2 3.45Å; V345-V369 VanDerWaalsContact CG1-CG2 3.45Å; V345-V369 HydrophobicContact CG2-CG2 4.04Å; V345-W378 HydrophobicContact CG1-CE3 4.08Å; V345-W378 HydrophobicContact CG1-CZ3 3.74Å; V345-V380 HydrophobicContact CG2-CG1 4.37Å; V345-V395 HydrophobicContact CB-CB 4.1Å; V345-V395 HydrophobicContact CG2-CB 4.08Å; V345-V395 HydrophobicContact CG2-CG1 4.29Å; V345-V395 HydrophobicContact CG2-CG2 4.47Å; V345-H396 CarbonylContact C-O 3.47Å; V345-H396 WeakPolarHBondContact CA-O 3.36Å; V345-H396 VanDerWaalsContact CB-O 3.31Å; V345-H396 WeakPolarHBondContact CB-O 3.32Å; V345-K397 HydrophobicContact CG1-CB 4.43Å; V345-K397 HydrophobicContact CG1-CG 3.67Å |
| 346 | I | 82.3 | Confident | 66.4 | Low | 16 Ų | 16 | 81.7 Ų | 81.7 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.2 | 174 | -66.1 | 165.2 | 0 | 0 | 0 | 109.5 | E365 K366 V395 H396 P398 | I346-E365 WeakPolarHBondContact CA-O 3.29Å; I346-K366 HydrophobicContact CG1-CG 3.85Å; I346-V395 WeakPolarHBondContact O-CA 3.4Å; I346-H396 PolarHBondContact N-O 2.69Å; I346-H396 PolarHBondContact O-N 3.5Å; I346-H396 PolarHBondContact O-ND1 2.8Å; I346-H396 VanDerWaalsContact O-ND1 3.13Å; I346-P398 HydrophobicContact CD1-CB 4.14Å; I346-P398 HydrophobicContact CD1-CG 4.49Å |
| 347 | A | 84.9 | Confident | 69.1 | Low | 2 Ų | 2 | 77 Ų | 77 | 2% | 0.017 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L361 Q362 G364 E365 Y367 | A347-L361 HydrophobicContact CB-CB 3.98Å; A347-L361 HydrophobicContact CB-CD1 4.44Å; A347-L361 HydrophobicContact CB-CD2 4.24Å; A347-L361 HydrophobicContact CB-CG 4.47Å; A347-Q362 WeakPolarHBondContact CB-O 3.3Å; A347-G364 PolarHBondContact O-N 3.23Å; A347-E365 PolarHBondContact N-O 3.48Å; A347-Y367 HydrophobicContact CB-CD2 4.44Å; A347-Y367 HydrophobicContact CB-CE2 3.84Å |
| 348 | V | 72.8 | Confident | 72.1 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -91.1 | -22 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | K363 Y394 H396 L448 | V348-K363 WeakPolarHBondContact O-CG 3.5Å; V348-Y394 PolarHBondContact N-O 3.39Å; V348-H396 HydrophobicContact CG2-CB 4.47Å; V348-H396 VanDerWaalsContact CG2-ND1 3.27Å; V348-H396 WeakPolarHBondContact CG2-ND1 3.1Å; V348-L448 HydrophobicContact CG1-CD2 4.35Å; V348-L448 HydrophobicContact CG2-CB 4.12Å; V348-L448 HydrophobicContact CG2-CD2 4.27Å |
| 349 | Y | 78.3 | Confident | 75.1 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 14% | 0.137 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -139.1 | 153.6 | -177.3 | -62.4 | -93.7 | 0 | 0 | 0 | 110.5 | Y394 R619 P622 | Y349-Y394 HydrophobicContact CG-CD1 4.45Å; Y349-R619 HydrophobicContact CE1-CB 3.86Å; Y349-P622 HydrophobicContact CD2-CG 4.28Å; Y349-P622 HydrophobicContact CE2-CG 4.05Å |
| 350 | N | 85.6 | Confident | 77.9 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -70.5 | 134.9 | 167.2 | -65.6 | -28.6 | 0 | 0 | 0 | 109.7 | L361 K363 Y394 | N350-L361 CarbonylContact C-O 3.56Å; N350-L361 VanDerWaalsContact CA-O 3.31Å; N350-L361 WeakPolarHBondContact CA-O 3.36Å; N350-K363 VanDerWaalsContact OD1-CB 3.28Å; N350-K363 WeakPolarHBondContact OD1-CB 3.02Å; N350-K363 PolarHBondContact OD1-N 3.3Å; N350-Y394 WeakPolarHBondContact O-CE1 3.4Å | ||
| 351 | Y | 87.7 | Confident | 80.3 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 122.7 | 176.7 | 179.7 | -113 | 0 | 0 | 0 | 110.7 | Q358 L359 P360 L361 W377 P391 Y394 T624 | Y351-Q358 HydrophobicContact CE1-CB 4.29Å; Y351-Q358 PolarHBondContact OH-OE1 3.08Å; Y351-Q358 VanDerWaalsContact OH-OE1 3.12Å; Y351-L359 WeakPolarHBondContact CD1-O 3.09Å; Y351-P360 WeakPolarHBondContact O-CA 3.36Å; Y351-L361 PolarHBondContact N-O 3.18Å; Y351-L361 PolarHBondContact O-N 2.94Å; Y351-W377 WeakPolarHBondContact OH-CH2 3.49Å; Y351-P391 HydrophobicContact CD1-CG 4.44Å; Y351-P391 HydrophobicContact CD2-CG 3.88Å; Y351-P391 HydrophobicContact CE1-CG 4.45Å; Y351-P391 HydrophobicContact CE2-CG 3.91Å; Y351-P391 HydrophobicContact CG-CG 4.18Å; Y351-Y394 HydrophobicContact CD2-CD1 4.18Å; Y351-Y394 AromaticContact CD2-CE1 3.74Å; Y351-Y394 HydrophobicContact CD2-CE1 3.74Å; Y351-Y394 AromaticContact CD2-CZ 3.95Å; Y351-Y394 HydrophobicContact CG-CD1 4.28Å; Y351-Y394 HydrophobicContact CG-CE1 4.22Å; Y351-T624 HydrophobicContact CE2-CG2 4.11Å |
| 352 | N | 87.1 | Confident | 82.4 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | trans | -95 | 122 | 173.2 | -66.1 | -12.8 | 0 | 0 | 0 | 108.6 | ||||
| 353 | P | 84.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | trans | -56.6 | 142.7 | 178.1 | -29.6 | 38.2 | 0 | 0 | 0 | 113.6 | Q358 P360 | P353-Q358 HydrophobicContact CB-CB 3.99Å; P353-P360 HydrophobicContact CG-CB 3.93Å; P353-P360 HydrophobicContact CG-CG 4.42Å | ||
| 354 | V | 78.7 | Confident | 83.6 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -104.1 | -10 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | Q358 R660 I662 | V354-Q358 VanDerWaalsContact CA-OE1 3.3Å; V354-R660 HydrophobicContact CG1-CB 4.05Å; V354-R660 HydrophobicContact CG1-CG 4.48Å; V354-R660 WeakPolarHBondContact O-CD 3.48Å; V354-I662 HydrophobicContact CG1-CD1 4.2Å; V354-I662 HydrophobicContact CG2-CD1 3.71Å |
| 355 | R | 78.1 | Confident | 83.9 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -146.3 | 159.1 | 174 | -77.6 | -169.5 | 161.7 | 173.5 | -2 | 112.1 | N357 Q358 E631 R660 | R355-N357 VanDerWaalsContact CB-OD1 3.25Å; R355-N357 WeakPolarHBondContact CB-OD1 3.27Å; R355-N357 PolarHBondContact O-N 2.92Å; R355-Q358 HydrophobicContact CB-CG 4.39Å; R355-Q358 WeakPolarHBondContact O-CB 3.45Å; R355-Q358 PolarHBondContact O-N 3.29Å; R355-Q358 VanDerWaalsContact O-N 3.11Å; R355-E631 VanDerWaalsContact CD-OE1 3.24Å; R355-E631 WeakPolarHBondContact CD-OE1 3.45Å; R355-E631 IonicContact CZ-OE1 3.99Å; R355-E631 IonicContact CZ-OE2 2.66Å; R355-E631 VanDerWaalsContact CZ-OE2 3.26Å; R355-E631 IonicContact NE-OE1 3.54Å; R355-E631 PolarHBondContact NE-OE1 2.91Å; R355-E631 VanDerWaalsContact NE-OE1 3.14Å; R355-E631 IonicContact NE-OE2 2.74Å; R355-E631 PolarHBondContact NE-OE2 3.3Å; R355-E631 VanDerWaalsContact NH1-CG 3.33Å; R355-E631 IonicContact NH1-OE1 3.61Å; R355-E631 PolarHBondContact NH1-OE1 3.21Å; R355-E631 IonicContact NH1-OE2 3.91Å; R355-E631 IonicContact NH2-OE1 3.73Å; R355-E631 IonicContact NH2-OE2 3.27Å; R355-E631 PolarHBondContact NH2-OE2 3.06Å; R355-R660 VanDerWaalsContact NH2-NH2 3.11Å |
| 356 | E | 82.4 | Confident | 84 | Confident | 204 Ų | 204 | 60.7 Ų | 60.7 | 95% | 0.953 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.4 | 176.2 | -60.7 | 173.7 | 173.6 | 0 | 0 | 114 | Q358 | E356-Q358 VanDerWaalsContact C-N 3.31Š|
| 357 | N | 84.5 | Confident | 84.4 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 5.4 | 178.1 | 75.4 | -29.8 | 0 | 0 | 0 | 113.9 | R355 G388 Y389 | R355-N357 VanDerWaalsContact CB-OD1 3.25Å; R355-N357 WeakPolarHBondContact CB-OD1 3.27Å; R355-N357 PolarHBondContact O-N 2.92Å; N357-G388 WeakPolarHBondContact O-CA 3.16Å; N357-Y389 PolarHBondContact O-N 2.69Å |
| 358 | Q | 89.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 142.1 | 176.6 | -71 | 166.9 | -18.2 | 0 | 0 | 110.4 | Y351 P353 V354 R355 E356 W377 Y389 M627 G628 | Y351-Q358 HydrophobicContact CE1-CB 4.29Å; Y351-Q358 PolarHBondContact OH-OE1 3.08Å; Y351-Q358 VanDerWaalsContact OH-OE1 3.12Å; P353-Q358 HydrophobicContact CB-CB 3.99Å; V354-Q358 VanDerWaalsContact CA-OE1 3.3Å; R355-Q358 HydrophobicContact CB-CG 4.39Å; R355-Q358 WeakPolarHBondContact O-CB 3.45Å; R355-Q358 PolarHBondContact O-N 3.29Å; R355-Q358 VanDerWaalsContact O-N 3.11Å; E356-Q358 VanDerWaalsContact C-N 3.31Å; Q358-W377 HydrophobicContact CG-CZ3 4.19Å; Q358-Y389 CarbonylContact C-O 3.6Å; Q358-Y389 VanDerWaalsContact CA-O 3.23Å; Q358-Y389 WeakPolarHBondContact CA-O 3.33Å; Q358-Y389 WeakPolarHBondContact CB-O 3.36Å; Q358-M627 PolarHBondContact NE2-O 3.04Å; Q358-G628 VanDerWaalsContact NE2-CA 3.32Å |
| 359 | L | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 135.5 | -176.2 | -161.1 | 69.8 | 0 | 0 | 0 | 110.4 | Y351 Y367 V380 N382 Q386 Y389 V390 | Y351-L359 WeakPolarHBondContact CD1-O 3.09Å; L359-Y367 HydrophobicContact CD2-CD1 3.73Å; L359-Y367 HydrophobicContact CD2-CE1 3.91Å; L359-V380 HydrophobicContact CD2-CG2 3.75Å; L359-N382 HydrophobicContact CD2-CB 4.01Å; L359-Q386 HydrophobicContact CD1-CB 3.91Å; L359-Q386 HydrophobicContact CD1-CG 3.56Å; L359-Y389 PolarHBondContact N-O 3.1Å; L359-V390 HydrophobicContact CB-CG1 3.76Å |
| 360 | P | 92 | Very high | 85.8 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.9 | 174.4 | 27.4 | -33 | 0 | 0 | 0 | 110.7 | Y351 P353 Y367 | Y351-P360 WeakPolarHBondContact O-CA 3.36Å; P353-P360 HydrophobicContact CG-CB 3.93Å; P353-P360 HydrophobicContact CG-CG 4.42Å; P360-Y367 PolarHBondContact O-OH 3.39Å |
| 361 | L | 89.8 | Confident | 85.6 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 134.5 | 170.8 | -59.3 | 175.7 | 0 | 0 | 0 | 110.4 | A347 N350 Y351 Y367 V390 Y394 V395 | A347-L361 HydrophobicContact CB-CB 3.98Å; A347-L361 HydrophobicContact CB-CD1 4.44Å; A347-L361 HydrophobicContact CB-CD2 4.24Å; A347-L361 HydrophobicContact CB-CG 4.47Å; N350-L361 CarbonylContact C-O 3.56Å; N350-L361 VanDerWaalsContact CA-O 3.31Å; N350-L361 WeakPolarHBondContact CA-O 3.36Å; Y351-L361 PolarHBondContact N-O 3.18Å; Y351-L361 PolarHBondContact O-N 2.94Å; L361-Y367 WeakPolarHBondContact CA-OH 3.22Å; L361-Y367 HydrophobicContact CD2-CD1 4.16Å; L361-Y367 HydrophobicContact CD2-CD2 3.97Å; L361-Y367 HydrophobicContact CD2-CE1 3.81Å; L361-Y367 HydrophobicContact CD2-CE2 3.64Å; L361-Y367 HydrophobicContact CD2-CG 4.26Å; L361-V390 HydrophobicContact CD1-CB 4.19Å; L361-V390 HydrophobicContact CD1-CG1 4.46Å; L361-V390 HydrophobicContact CD2-CB 4.18Å; L361-V390 HydrophobicContact CD2-CG1 3.7Å; L361-V390 HydrophobicContact CG-CB 4.32Å; L361-V390 HydrophobicContact CG-CG1 4.05Å; L361-Y394 VanDerWaalsContact CD1-CB 3.47Å; L361-Y394 HydrophobicContact CD1-CD1 4.38Å; L361-Y394 HydrophobicContact CD1-CG 4.33Å; L361-V395 HydrophobicContact CD1-CG1 3.65Å; L361-V395 HydrophobicContact CD2-CG1 4.05Å |
| 362 | Q | 87.6 | Confident | 85.4 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | trans | -113.4 | 125.4 | 168.1 | 179.1 | 169.2 | -16.4 | 0 | 0 | 108.8 | A347 G364 E365 Y367 | A347-Q362 WeakPolarHBondContact CB-O 3.3Å; Q362-G364 PolarHBondContact O-N 3.34Å; Q362-E365 HydrophobicContact CB-CB 4.47Å; Q362-E365 HydrophobicContact CB-CG 3.87Å; Q362-E365 HydrophobicContact CG-CG 4.11Å; Q362-E365 VanDerWaalsContact O-CB 3.3Å; Q362-E365 WeakPolarHBondContact O-CB 3.23Å; Q362-E365 PolarHBondContact O-N 3.41Å; Q362-Y367 PolarHBondContact N-OH 3.33Å | ||
| 363 | K | 81.3 | Confident | 84.6 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 121.8 | -175.2 | 178.8 | -179.4 | 179 | -162.3 | 0 | 111.2 | V348 N350 D618 | V348-K363 WeakPolarHBondContact O-CG 3.5Å; N350-K363 VanDerWaalsContact OD1-CB 3.28Å; N350-K363 WeakPolarHBondContact OD1-CB 3.02Å; N350-K363 PolarHBondContact OD1-N 3.3Å; K363-D618 IonicContact NZ-OD1 3.72Å; K363-D618 PolarHBondContact NZ-OD1 3.28Å |
| 364 | G | 73 | Confident | 83.8 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -19.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A347 Q362 | A347-G364 PolarHBondContact O-N 3.23Å; Q362-G364 PolarHBondContact O-N 3.34Å |
| 365 | E | 86.5 | Confident | 83.3 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | trans | -71.5 | 152.4 | -179.3 | -73 | -58.9 | 132.9 | 0 | 0 | 113.2 | I346 A347 Q362 Y367 | I346-E365 WeakPolarHBondContact CA-O 3.29Å; A347-E365 PolarHBondContact N-O 3.48Å; Q362-E365 HydrophobicContact CB-CB 4.47Å; Q362-E365 HydrophobicContact CB-CG 3.87Å; Q362-E365 HydrophobicContact CG-CG 4.11Å; Q362-E365 VanDerWaalsContact O-CB 3.3Å; Q362-E365 WeakPolarHBondContact O-CB 3.23Å; Q362-E365 PolarHBondContact O-N 3.41Å; E365-Y367 HydrophobicContact CB-CE2 3.63Å; E365-Y367 WeakPolarHBondContact O-CD2 3.22Å; E365-Y367 WeakPolarHBondContact O-CE2 3.23Å | ||
| 366 | K | 87.2 | Confident | 83.1 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.8 | 176.3 | -74.9 | -178.5 | 178.7 | -176.2 | 0 | 111.9 | V345 I346 M383 | V345-K366 WeakPolarHBondContact O-CA 3.42Å; I346-K366 HydrophobicContact CG1-CG 3.85Å; K366-M383 HydrophobicContact CB-SD 4.44Å |
| 367 | Y | 90.3 | Very high | 83 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.6 | 176.9 | -56.5 | -101.9 | 0 | 0 | 0 | 109.2 | T344 V345 A347 L359 P360 L361 Q362 E365 V380 K381 N382 | T344-Y367 CarbonylContact C-O 3.54Å; T344-Y367 WeakPolarHBondContact CA-O 3.14Å; V345-Y367 PolarHBondContact N-O 3.27Å; V345-Y367 PolarHBondContact O-N 2.89Å; A347-Y367 HydrophobicContact CB-CD2 4.44Å; A347-Y367 HydrophobicContact CB-CE2 3.84Å; L359-Y367 HydrophobicContact CD2-CD1 3.73Å; L359-Y367 HydrophobicContact CD2-CE1 3.91Å; P360-Y367 PolarHBondContact O-OH 3.39Å; L361-Y367 WeakPolarHBondContact CA-OH 3.22Å; L361-Y367 HydrophobicContact CD2-CD1 4.16Å; L361-Y367 HydrophobicContact CD2-CD2 3.97Å; L361-Y367 HydrophobicContact CD2-CE1 3.81Å; L361-Y367 HydrophobicContact CD2-CE2 3.64Å; L361-Y367 HydrophobicContact CD2-CG 4.26Å; Q362-Y367 PolarHBondContact N-OH 3.33Å; E365-Y367 HydrophobicContact CB-CE2 3.63Å; E365-Y367 WeakPolarHBondContact O-CD2 3.22Å; E365-Y367 WeakPolarHBondContact O-CE2 3.23Å; Y367-V380 HydrophobicContact CD1-CG2 4.19Å; Y367-V380 HydrophobicContact CG-CG2 4.43Å; Y367-K381 CarbonylContact C-O 3.54Å; Y367-K381 VanDerWaalsContact CA-O 3.26Å; Y367-K381 WeakPolarHBondContact CA-O 3.48Å; Y367-N382 HydrophobicContact CD1-CB 3.7Å; Y367-N382 HydrophobicContact CE1-CB 3.65Å |
| 368 | Y | 90.3 | Very high | 83.1 | Confident | 81 Ų | 81 | 54 Ų | 54 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.1 | 175.5 | -57.4 | -91.8 | 0 | 0 | 0 | 110 | N343 T344 V370 V380 K381 M383 | N343-Y368 CarbonylContact O-C 3.55Å; T344-Y368 HydrophobicContact CG2-CD1 3.66Å; T344-Y368 HydrophobicContact CG2-CE1 3.66Å; T344-Y368 HydrophobicContact CG2-CG 4.48Å; Y368-V370 PolarHBondContact O-N 2.85Å; Y368-V380 CarbonylContact O-C 3.55Å; Y368-V380 WeakPolarHBondContact O-CA 3.48Å; Y368-V380 VanDerWaalsContact O-CB 3.31Å; Y368-V380 WeakPolarHBondContact O-CB 3.4Å; Y368-K381 PolarHBondContact N-O 3.29Å; Y368-K381 PolarHBondContact O-N 2.91Å; Y368-M383 HydrophobicContact CE2-SD 3.77Å |
| 369 | V | 88.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119.2 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | N343 V345 Q372 W378 V380 | N343-V369 PolarHBondContact O-N 2.71Å; V345-V369 HydrophobicContact CB-CG2 4.31Å; V345-V369 HydrophobicContact CG1-CG2 3.45Å; V345-V369 VanDerWaalsContact CG1-CG2 3.45Å; V345-V369 HydrophobicContact CG2-CG2 4.04Å; V369-Q372 HydrophobicContact CG1-CB 4.05Å; V369-W378 HydrophobicContact CG2-CE3 4.46Å; V369-V380 HydrophobicContact CG2-CG1 4.5Å |
| 370 | V | 86.5 | Confident | 83.1 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -34.4 | 179.5 | -178 | 0 | 0 | 0 | 0 | 110.8 | Y368 Y379 K381 L387 | Y368-V370 PolarHBondContact O-N 2.85Å; V370-Y379 WeakPolarHBondContact CA-O 3.04Å; V370-Y379 HydrophobicContact CB-CD1 3.98Å; V370-Y379 HydrophobicContact CG1-CD1 3.92Å; V370-Y379 HydrophobicContact CG1-CE1 4.36Å; V370-Y379 PolarHBondContact N-O 3.46Å; V370-K381 HydrophobicContact CG2-CB 4Å; V370-L387 HydrophobicContact CG2-CD2 3.82Å |
| 371 | N | 81.8 | Confident | 83.1 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 131.7 | 171.2 | -161 | -22.8 | 0 | 0 | 0 | 111.7 | S373 Y379 | N371-S373 VanDerWaalsContact OD1-CB 3.3Å; N371-S373 WeakPolarHBondContact OD1-CB 3.44Å; N371-S373 PolarHBondContact OD1-N 3.34Å; N371-S373 PolarHBondContact OD1-OG 3.45Å; N371-S373 VanDerWaalsContact OD1-OG 3.11Å; N371-Y379 PolarHBondContact N-O 2.94Å; N371-Y379 PolarHBondContact O-N 3.15Å |
| 372 | Q | 82.7 | Confident | 83.2 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | trans | -118 | 12.1 | -178.9 | 66.3 | -177.4 | 11.6 | 0 | 0 | 113.7 | V369 N374 W378 | V369-Q372 HydrophobicContact CG1-CB 4.05Å; Q372-N374 VanDerWaalsContact C-N 3.26Å; Q372-N374 PolarHBondContact O-N 3.42Å; Q372-W378 HydrophobicContact CB-CD2 4.42Å; Q372-W378 HydrophobicContact CB-CG 4.35Å | ||
| 373 | S | 70.4 | Confident | 83 | Confident | 85 Ų | 85 | 59 Ų | 59 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | trans | -65.9 | -20 | -173.1 | 65.3 | 0 | 0 | 0 | 0 | 115.2 | N371 | N371-S373 VanDerWaalsContact OD1-CB 3.3Å; N371-S373 WeakPolarHBondContact OD1-CB 3.44Å; N371-S373 PolarHBondContact OD1-N 3.34Å; N371-S373 PolarHBondContact OD1-OG 3.45Å; N371-S373 VanDerWaalsContact OD1-OG 3.11Å | ||
| 374 | N | 69 | Low | 83.3 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -104.1 | 127.9 | 174.4 | -176.3 | -61.6 | 0 | 0 | 0 | 110.2 | Q372 Q376 W377 W378 L629 | Q372-N374 VanDerWaalsContact C-N 3.26Å; Q372-N374 PolarHBondContact O-N 3.42Å; N374-Q376 VanDerWaalsContact C-N 3.25Å; N374-Q376 PolarHBondContact O-N 2.74Å; N374-Q376 PolarHBondContact OD1-N 2.85Å; N374-W377 WeakPolarHBondContact CB-O 3.2Å; N374-W377 PolarHBondContact OD1-N 3.32Å; N374-W377 VanDerWaalsContact OD1-N 3.07Å; N374-W378 PolarHBondContact O-NE1 3Å; N374-L629 HydrophobicContact CB-CD1 3.87Å; N374-L629 VanDerWaalsContact ND2-CD1 3.34Å; N374-L629 WeakPolarHBondContact ND2-CD1 3.35Å |
| 375 | A | 68 | Low | 83.9 | Confident | 53 Ų | 53 | 59 Ų | 59 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -70 | -14.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I146 T392 | I146-A375 HydrophobicContact CD1-CB 4.2Å; A375-T392 PolarHBondContact O-OG1 2.82Å |
| 376 | Q | 73 | Confident | 84 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -114.9 | -20.5 | -176.4 | -63.8 | -59 | -53.8 | 0 | 0 | 113.7 | N374 P391 T392 A625 F688 | N374-Q376 VanDerWaalsContact C-N 3.25Å; N374-Q376 PolarHBondContact O-N 2.74Å; N374-Q376 PolarHBondContact OD1-N 2.85Å; Q376-P391 WeakPolarHBondContact O-CA 3.34Å; Q376-T392 WeakPolarHBondContact CA-OG1 3.49Å; Q376-T392 PolarHBondContact O-N 3.38Å; Q376-T392 PolarHBondContact O-OG1 3.02Å; Q376-A625 HydrophobicContact CB-CB 4Å; Q376-A625 HydrophobicContact CG-CB 3.75Å; Q376-F688 HydrophobicContact CG-CD1 4.21Å |
| 377 | W | 80.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 113.1 | 179.6 | -66.2 | 85.6 | 0 | 0 | 0 | 110.9 | Y351 Q358 N374 Y389 V390 P391 T624 A625 L629 | Y351-W377 WeakPolarHBondContact OH-CH2 3.49Å; Q358-W377 HydrophobicContact CG-CZ3 4.19Å; N374-W377 WeakPolarHBondContact CB-O 3.2Å; N374-W377 PolarHBondContact OD1-N 3.32Å; N374-W377 VanDerWaalsContact OD1-N 3.07Å; W377-Y389 HydrophobicContact CB-CD1 4.46Å; W377-V390 CarbonylContact C-O 3.53Å; W377-V390 WeakPolarHBondContact CA-O 3.28Å; W377-P391 HydrophobicContact CE3-CB 4.33Å; W377-P391 HydrophobicContact CH2-CB 4.25Å; W377-P391 HydrophobicContact CZ3-CB 4.16Å; W377-P391 HydrophobicContact CZ3-CG 4.35Å; W377-T624 HydrophobicContact CH2-CG2 4.36Å; W377-T624 HydrophobicContact CZ2-CG2 4.49Å; W377-A625 PolarHBondContact NE1-O 2.9Å; W377-L629 HydrophobicContact CB-CD1 3.9Å |
| 378 | W | 87.3 | Confident | 84.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 146.9 | 173.9 | -70.8 | -11.5 | 0 | 0 | 0 | 110.8 | V345 V369 Q372 N374 V380 Y389 V390 T392 V395 K397 | V345-W378 HydrophobicContact CG1-CE3 4.08Å; V345-W378 HydrophobicContact CG1-CZ3 3.74Å; V369-W378 HydrophobicContact CG2-CE3 4.46Å; Q372-W378 HydrophobicContact CB-CD2 4.42Å; Q372-W378 HydrophobicContact CB-CG 4.35Å; N374-W378 PolarHBondContact O-NE1 3Å; W378-V380 HydrophobicContact CB-CG1 4.16Å; W378-Y389 CarbonylContact O-C 3.45Å; W378-Y389 WeakPolarHBondContact O-CA 3.26Å; W378-V390 PolarHBondContact N-O 2.93Å; W378-V390 PolarHBondContact O-N 3.34Å; W378-T392 HydrophobicContact CB-CG2 4.31Å; W378-T392 VanDerWaalsContact CD1-CG2 3.41Å; W378-T392 HydrophobicContact CD2-CG2 3.63Å; W378-T392 HydrophobicContact CE3-CG2 4.37Å; W378-T392 HydrophobicContact CG-CG2 3.55Å; W378-T392 HydrophobicContact CZ2-CG2 4.28Å; W378-V395 HydrophobicContact CE3-CG2 3.85Å; W378-V395 HydrophobicContact CZ3-CG2 4.09Å; W378-K397 HydrophobicContact CZ3-CG 4.38Å |
| 379 | Y | 89 | Confident | 84.1 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.6 | 171.1 | -163.8 | -119.2 | 0 | 0 | 0 | 108.2 | V370 N371 L387 Y389 | V370-Y379 WeakPolarHBondContact CA-O 3.04Å; V370-Y379 HydrophobicContact CB-CD1 3.98Å; V370-Y379 HydrophobicContact CG1-CD1 3.92Å; V370-Y379 HydrophobicContact CG1-CE1 4.36Å; V370-Y379 PolarHBondContact N-O 3.46Å; N371-Y379 PolarHBondContact N-O 2.94Å; N371-Y379 PolarHBondContact O-N 3.15Å; Y379-L387 HydrophobicContact CE1-CB 4.17Å; Y379-L387 HydrophobicContact CE1-CD1 4.31Å; Y379-L387 HydrophobicContact CE1-CD2 4.15Å; Y379-L387 HydrophobicContact CE1-CG 4.46Å; Y379-L387 HydrophobicContact CE2-CB 4.46Å; Y379-L387 WeakPolarHBondContact OH-CB 3.38Å; Y379-Y389 AromaticContact CD2-CD1 3.9Å; Y379-Y389 HydrophobicContact CD2-CD1 3.9Å; Y379-Y389 AromaticContact CD2-CD2 3.79Å; Y379-Y389 HydrophobicContact CD2-CD2 3.79Å; Y379-Y389 AromaticContact CD2-CE1 3.74Å; Y379-Y389 HydrophobicContact CD2-CE1 3.74Å; Y379-Y389 AromaticContact CD2-CE2 3.63Å; Y379-Y389 HydrophobicContact CD2-CE2 3.63Å; Y379-Y389 AromaticContact CD2-CG 3.92Å; Y379-Y389 HydrophobicContact CD2-CG 3.92Å; Y379-Y389 AromaticContact CD2-CZ 3.6Å; Y379-Y389 HydrophobicContact CE2-CD2 4.12Å; Y379-Y389 AromaticContact CE2-CE2 3.88Å; Y379-Y389 HydrophobicContact CE2-CE2 3.88Å; Y379-Y389 HydrophobicContact CG-CD1 4.48Å; Y379-Y389 HydrophobicContact CG-CE1 4.13Å |
| 380 | V | 91.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 163.6 | -172.4 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | V345 L359 Y367 Y368 V369 W378 L387 G388 V390 | V345-V380 HydrophobicContact CG2-CG1 4.37Å; L359-V380 HydrophobicContact CD2-CG2 3.75Å; Y367-V380 HydrophobicContact CD1-CG2 4.19Å; Y367-V380 HydrophobicContact CG-CG2 4.43Å; Y368-V380 CarbonylContact O-C 3.55Å; Y368-V380 WeakPolarHBondContact O-CA 3.48Å; Y368-V380 VanDerWaalsContact O-CB 3.31Å; Y368-V380 WeakPolarHBondContact O-CB 3.4Å; V369-V380 HydrophobicContact CG2-CG1 4.5Å; W378-V380 HydrophobicContact CB-CG1 4.16Å; V380-L387 WeakPolarHBondContact O-CA 3.46Å; V380-G388 PolarHBondContact N-O 2.94Å; V380-G388 PolarHBondContact O-N 3.05Å; V380-V390 HydrophobicContact CB-CG2 4.31Å; V380-V390 HydrophobicContact CG1-CG2 3.7Å; V380-V390 HydrophobicContact CG2-CB 4.22Å; V380-V390 HydrophobicContact CG2-CG1 3.56Å; V380-V390 HydrophobicContact CG2-CG2 3.58Å |
| 381 | K | 92.4 | Very high | 84.2 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.5 | 177.3 | -169.5 | -177.9 | 173.7 | -175.4 | 0 | 109.3 | Y367 Y368 V370 G385 Q386 L387 | Y367-K381 CarbonylContact C-O 3.54Å; Y367-K381 VanDerWaalsContact CA-O 3.26Å; Y367-K381 WeakPolarHBondContact CA-O 3.48Å; Y368-K381 PolarHBondContact N-O 3.29Å; Y368-K381 PolarHBondContact O-N 2.91Å; V370-K381 HydrophobicContact CG2-CB 4Å; K381-G385 VanDerWaalsContact CE-CA 3.49Å; K381-Q386 WeakPolarHBondContact CA-O 3.41Å; K381-L387 HydrophobicContact CB-CD2 3.65Å; K381-L387 HydrophobicContact CD-CD2 4.37Å; K381-L387 HydrophobicContact CG-CD2 3.9Å |
| 382 | N | 91.1 | Very high | 84.2 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 176.9 | 172.6 | 68.7 | 5.6 | 0 | 0 | 0 | 112 | L359 Y367 T384 G385 Q386 | L359-N382 HydrophobicContact CD2-CB 4.01Å; Y367-N382 HydrophobicContact CD1-CB 3.7Å; Y367-N382 HydrophobicContact CE1-CB 3.65Å; N382-T384 PolarHBondContact ND2-OG1 3.26Å; N382-T384 PolarHBondContact O-N 3.06Å; N382-T384 PolarHBondContact OD1-N 2.72Å; N382-T384 PolarHBondContact OD1-OG1 3.43Å; N382-G385 PolarHBondContact O-N 3.15Å; N382-G385 PolarHBondContact OD1-N 3.41Å; N382-Q386 PolarHBondContact N-O 2.76Å; N382-Q386 WeakPolarHBondContact OD1-CB 3.35Å; N382-Q386 PolarHBondContact OD1-N 2.98Å; N382-Q386 PolarHBondContact OD1-O 2.79Å |
| 383 | M | 84.1 | Confident | 83.9 | Confident | 113 Ų | 113 | 48.1 Ų | 48.1 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.7 | 178.2 | -62.3 | -59.5 | -67.5 | 0 | 0 | 114.2 | K366 Y368 G385 | K366-M383 HydrophobicContact CB-SD 4.44Å; Y368-M383 HydrophobicContact CE2-SD 3.77Å; M383-G385 VanDerWaalsContact C-N 3.3Å |
| 384 | T | 86.4 | Confident | 84.5 | Confident | 123 Ų | 123 | 45.1 Ų | 45.1 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.2 | 174 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | N382 | N382-T384 PolarHBondContact ND2-OG1 3.26Å; N382-T384 PolarHBondContact O-N 3.06Å; N382-T384 PolarHBondContact OD1-N 2.72Å; N382-T384 PolarHBondContact OD1-OG1 3.43Å |
| 385 | G | 85 | Confident | 85.2 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | trans | 88.9 | -0.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K381 N382 M383 | K381-G385 VanDerWaalsContact CE-CA 3.49Å; N382-G385 PolarHBondContact O-N 3.15Å; N382-G385 PolarHBondContact OD1-N 3.41Å; M383-G385 VanDerWaalsContact C-N 3.3Å | ||
| 386 | Q | 89.8 | Confident | 85.3 | Confident | 101 Ų | 101 | 42.2 Ų | 42.2 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | trans | -67 | 135.7 | 174.3 | -170.8 | -172.7 | 5.1 | 0 | 0 | 110.5 | L359 K381 N382 | L359-Q386 HydrophobicContact CD1-CB 3.91Å; L359-Q386 HydrophobicContact CD1-CG 3.56Å; K381-Q386 WeakPolarHBondContact CA-O 3.41Å; N382-Q386 PolarHBondContact N-O 2.76Å; N382-Q386 WeakPolarHBondContact OD1-CB 3.35Å; N382-Q386 PolarHBondContact OD1-N 2.98Å; N382-Q386 PolarHBondContact OD1-O 2.79Å | ||
| 387 | L | 91.3 | Very high | 85.1 | Confident | 81 Ų | 81 | 43 Ų | 43 | 42% | 0.424 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 147 | 179.1 | -68 | 166.9 | 0 | 0 | 0 | 111.5 | V370 Y379 V380 K381 | V370-L387 HydrophobicContact CG2-CD2 3.82Å; Y379-L387 HydrophobicContact CE1-CB 4.17Å; Y379-L387 HydrophobicContact CE1-CD1 4.31Å; Y379-L387 HydrophobicContact CE1-CD2 4.15Å; Y379-L387 HydrophobicContact CE1-CG 4.46Å; Y379-L387 HydrophobicContact CE2-CB 4.46Å; Y379-L387 WeakPolarHBondContact OH-CB 3.38Å; V380-L387 WeakPolarHBondContact O-CA 3.46Å; K381-L387 HydrophobicContact CB-CD2 3.65Å; K381-L387 HydrophobicContact CD-CD2 4.37Å; K381-L387 HydrophobicContact CG-CD2 3.9Å |
| 388 | G | 90.2 | Very high | 83.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 171.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N357 V380 | N357-G388 WeakPolarHBondContact O-CA 3.16Å; V380-G388 PolarHBondContact N-O 2.94Å; V380-G388 PolarHBondContact O-N 3.05Å |
| 389 | Y | 89.2 | Confident | 82 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140.5 | 175 | -71.6 | -78.3 | 0 | 0 | 0 | 112 | N357 Q358 L359 W377 W378 Y379 L629 | N357-Y389 PolarHBondContact O-N 2.69Å; Q358-Y389 CarbonylContact C-O 3.6Å; Q358-Y389 VanDerWaalsContact CA-O 3.23Å; Q358-Y389 WeakPolarHBondContact CA-O 3.33Å; Q358-Y389 WeakPolarHBondContact CB-O 3.36Å; L359-Y389 PolarHBondContact N-O 3.1Å; W377-Y389 HydrophobicContact CB-CD1 4.46Å; W378-Y389 CarbonylContact O-C 3.45Å; W378-Y389 WeakPolarHBondContact O-CA 3.26Å; Y379-Y389 AromaticContact CD2-CD1 3.9Å; Y379-Y389 HydrophobicContact CD2-CD1 3.9Å; Y379-Y389 AromaticContact CD2-CD2 3.79Å; Y379-Y389 HydrophobicContact CD2-CD2 3.79Å; Y379-Y389 AromaticContact CD2-CE1 3.74Å; Y379-Y389 HydrophobicContact CD2-CE1 3.74Å; Y379-Y389 AromaticContact CD2-CE2 3.63Å; Y379-Y389 HydrophobicContact CD2-CE2 3.63Å; Y379-Y389 AromaticContact CD2-CG 3.92Å; Y379-Y389 HydrophobicContact CD2-CG 3.92Å; Y379-Y389 AromaticContact CD2-CZ 3.6Å; Y379-Y389 HydrophobicContact CE2-CD2 4.12Å; Y379-Y389 AromaticContact CE2-CE2 3.88Å; Y379-Y389 HydrophobicContact CE2-CE2 3.88Å; Y379-Y389 HydrophobicContact CG-CD1 4.48Å; Y379-Y389 HydrophobicContact CG-CE1 4.13Å; Y389-L629 HydrophobicContact CD1-CD2 4.44Å; Y389-L629 HydrophobicContact CE1-CD1 4.41Å; Y389-L629 HydrophobicContact CE1-CD2 3.78Å; Y389-L629 HydrophobicContact CE2-CD2 4.25Å |
| 390 | V | 89.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.9 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | L359 L361 W377 W378 V380 V395 | L359-V390 HydrophobicContact CB-CG1 3.76Å; L361-V390 HydrophobicContact CD1-CB 4.19Å; L361-V390 HydrophobicContact CD1-CG1 4.46Å; L361-V390 HydrophobicContact CD2-CB 4.18Å; L361-V390 HydrophobicContact CD2-CG1 3.7Å; L361-V390 HydrophobicContact CG-CB 4.32Å; L361-V390 HydrophobicContact CG-CG1 4.05Å; W377-V390 CarbonylContact C-O 3.53Å; W377-V390 WeakPolarHBondContact CA-O 3.28Å; W378-V390 PolarHBondContact N-O 2.93Å; W378-V390 PolarHBondContact O-N 3.34Å; V380-V390 HydrophobicContact CB-CG2 4.31Å; V380-V390 HydrophobicContact CG1-CG2 3.7Å; V380-V390 HydrophobicContact CG2-CB 4.22Å; V380-V390 HydrophobicContact CG2-CG1 3.56Å; V380-V390 HydrophobicContact CG2-CG2 3.58Å; V390-V395 HydrophobicContact CG2-CG1 4.25Å; V390-V395 HydrophobicContact CG2-CG2 4.47Å |
| 391 | P | 85.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132.6 | 178.6 | 28 | -33.7 | 0 | 0 | 0 | 111.1 | Y351 Q376 W377 N393 Y394 T624 | Y351-P391 HydrophobicContact CD1-CG 4.44Å; Y351-P391 HydrophobicContact CD2-CG 3.88Å; Y351-P391 HydrophobicContact CE1-CG 4.45Å; Y351-P391 HydrophobicContact CE2-CG 3.91Å; Y351-P391 HydrophobicContact CG-CG 4.18Å; Q376-P391 WeakPolarHBondContact O-CA 3.34Å; W377-P391 HydrophobicContact CE3-CB 4.33Å; W377-P391 HydrophobicContact CH2-CB 4.25Å; W377-P391 HydrophobicContact CZ3-CB 4.16Å; W377-P391 HydrophobicContact CZ3-CG 4.35Å; P391-N393 VanDerWaalsContact C-N 3.29Å; P391-N393 PolarHBondContact O-N 3.32Å; P391-Y394 HydrophobicContact CB-CD2 3.93Å; P391-Y394 HydrophobicContact CB-CE2 4.37Å; P391-Y394 HydrophobicContact CG-CD1 4.44Å; P391-Y394 HydrophobicContact CG-CD2 3.43Å; P391-Y394 VanDerWaalsContact CG-CD2 3.43Å; P391-Y394 HydrophobicContact CG-CE2 3.87Å; P391-Y394 HydrophobicContact CG-CG 3.75Å; P391-Y394 PolarHBondContact O-N 3.17Å; P391-T624 HydrophobicContact CB-CG2 3.65Å; P391-T624 HydrophobicContact CG-CG2 3.79Å |
| 392 | T | 81.6 | Confident | 73.2 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 13% | 0.129 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -65 | -31 | -172.5 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | A375 Q376 W378 Y394 V395 | A375-T392 PolarHBondContact O-OG1 2.82Å; Q376-T392 WeakPolarHBondContact CA-OG1 3.49Å; Q376-T392 PolarHBondContact O-N 3.38Å; Q376-T392 PolarHBondContact O-OG1 3.02Å; W378-T392 HydrophobicContact CB-CG2 4.31Å; W378-T392 VanDerWaalsContact CD1-CG2 3.41Å; W378-T392 HydrophobicContact CD2-CG2 3.63Å; W378-T392 HydrophobicContact CE3-CG2 4.37Å; W378-T392 HydrophobicContact CG-CG2 3.55Å; W378-T392 HydrophobicContact CZ2-CG2 4.28Å; T392-Y394 PolarHBondContact O-N 3.04Å; T392-Y394 VanDerWaalsContact O-N 3.16Å; T392-V395 PolarHBondContact O-N 2.93Å; T392-V395 VanDerWaalsContact O-O 3.08Å |
| 393 | N | 76.6 | Confident | 70.3 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -73.4 | 2.1 | 176.4 | 63.3 | -20.5 | 0 | 0 | 0 | 114.5 | P391 P622 V623 | P391-N393 VanDerWaalsContact C-N 3.29Å; P391-N393 PolarHBondContact O-N 3.32Å; N393-P622 HydrophobicContact CB-CG 4.37Å; N393-V623 PolarHBondContact ND2-O 3.08Å |
| 394 | Y | 84.6 | Confident | 67.8 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -104.2 | -7 | 171.3 | -74.8 | -124.5 | 0 | 0 | 0 | 113.5 | V348 Y349 N350 Y351 L361 P391 T392 P622 T624 | V348-Y394 PolarHBondContact N-O 3.39Å; Y349-Y394 HydrophobicContact CG-CD1 4.45Å; N350-Y394 WeakPolarHBondContact O-CE1 3.4Å; Y351-Y394 HydrophobicContact CD2-CD1 4.18Å; Y351-Y394 AromaticContact CD2-CE1 3.74Å; Y351-Y394 HydrophobicContact CD2-CE1 3.74Å; Y351-Y394 AromaticContact CD2-CZ 3.95Å; Y351-Y394 HydrophobicContact CG-CD1 4.28Å; Y351-Y394 HydrophobicContact CG-CE1 4.22Å; L361-Y394 VanDerWaalsContact CD1-CB 3.47Å; L361-Y394 HydrophobicContact CD1-CD1 4.38Å; L361-Y394 HydrophobicContact CD1-CG 4.33Å; P391-Y394 HydrophobicContact CB-CD2 3.93Å; P391-Y394 HydrophobicContact CB-CE2 4.37Å; P391-Y394 HydrophobicContact CG-CD1 4.44Å; P391-Y394 HydrophobicContact CG-CD2 3.43Å; P391-Y394 VanDerWaalsContact CG-CD2 3.43Å; P391-Y394 HydrophobicContact CG-CE2 3.87Å; P391-Y394 HydrophobicContact CG-CG 3.75Å; P391-Y394 PolarHBondContact O-N 3.17Å; T392-Y394 PolarHBondContact O-N 3.04Å; T392-Y394 VanDerWaalsContact O-N 3.16Å; Y394-P622 HydrophobicContact CD2-CG 4.05Å; Y394-P622 HydrophobicContact CE2-CG 3.92Å; Y394-P622 WeakPolarHBondContact CE2-O 3.3Å; Y394-P622 PolarHBondContact OH-O 2.9Å; Y394-P622 VanDerWaalsContact OH-O 3.11Å; Y394-T624 HydrophobicContact CD2-CG2 4.49Å; Y394-T624 HydrophobicContact CE2-CG2 3.69Å |
| 395 | V | 82.4 | Confident | 65.2 | Low | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 158.8 | -173.6 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | V345 I346 L361 W378 V390 T392 | V345-V395 HydrophobicContact CB-CB 4.1Å; V345-V395 HydrophobicContact CG2-CB 4.08Å; V345-V395 HydrophobicContact CG2-CG1 4.29Å; V345-V395 HydrophobicContact CG2-CG2 4.47Å; I346-V395 WeakPolarHBondContact O-CA 3.4Å; L361-V395 HydrophobicContact CD1-CG1 3.65Å; L361-V395 HydrophobicContact CD2-CG1 4.05Å; W378-V395 HydrophobicContact CE3-CG2 3.85Å; W378-V395 HydrophobicContact CZ3-CG2 4.09Å; V390-V395 HydrophobicContact CG2-CG1 4.25Å; V390-V395 HydrophobicContact CG2-CG2 4.47Å; T392-V395 PolarHBondContact O-N 2.93Å; T392-V395 VanDerWaalsContact O-O 3.08Å |
| 396 | H | 71.3 | Confident | 63 | Low | 24 Ų | 24 | 61.4 Ų | 61.4 | 11% | 0.111 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.3 | 173.8 | 73.7 | -76.4 | 0 | 0 | 0 | 112.6 | V345 I346 V348 L448 Y449 | V345-H396 CarbonylContact C-O 3.47Å; V345-H396 WeakPolarHBondContact CA-O 3.36Å; V345-H396 VanDerWaalsContact CB-O 3.31Å; V345-H396 WeakPolarHBondContact CB-O 3.32Å; I346-H396 PolarHBondContact N-O 2.69Å; I346-H396 PolarHBondContact O-N 3.5Å; I346-H396 PolarHBondContact O-ND1 2.8Å; I346-H396 VanDerWaalsContact O-ND1 3.13Å; V348-H396 HydrophobicContact CG2-CB 4.47Å; V348-H396 VanDerWaalsContact CG2-ND1 3.27Å; V348-H396 WeakPolarHBondContact CG2-ND1 3.1Å; H396-L448 HydrophobicContact CB-CB 3.83Å; H396-L448 HydrophobicContact CB-CD1 4.09Å; H396-Y449 AromaticContact NE2-CD2 3.58Å |
| 397 | K | 68.1 | Low | 60.1 | Low | 55 Ų | 55 | 61.3 Ų | 61.3 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | trans | -81.4 | 136.8 | 176.4 | -66.7 | -162 | 176.6 | -160.3 | 0 | 111.8 | V345 W378 N399 | V345-K397 HydrophobicContact CG1-CB 4.43Å; V345-K397 HydrophobicContact CG1-CG 3.67Å; W378-K397 HydrophobicContact CZ3-CG 4.38Å; K397-N399 WeakPolarHBondContact CB-OD1 3.29Å; K397-N399 PolarHBondContact O-N 3.22Å | ||
| 398 | P | 55.5 | Low | 57.3 | Low | 42 Ų | 42 | 62.8 Ų | 62.8 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | trans | -98.4 | 65.6 | -178.3 | 38.9 | -33.6 | 0 | 0 | 0 | 112.4 | T344 I346 | T344-P398 WeakPolarHBondContact O-CD 3.47Å; T344-P398 VanDerWaalsContact OG1-CG 3.26Å; T344-P398 WeakPolarHBondContact OG1-CG 3.29Å; I346-P398 HydrophobicContact CD1-CB 4.14Å; I346-P398 HydrophobicContact CD1-CG 4.49Å | ||
| 399 | N | 47.8 | Very low | 54.6 | Low | 42 Ų | 42 | 66.1 Ų | 66.1 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | trans | -88.2 | 129 | -173.3 | -74.6 | 59.1 | 0 | 0 | 0 | 114.3 | K397 | K397-N399 WeakPolarHBondContact CB-OD1 3.29Å; K397-N399 PolarHBondContact O-N 3.22Å | ||
| 400 | S | 33 | Very low | 52 | Low | 93 Ų | 93 | 68.7 Ų | 68.7 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 54.5 | 115.8 | 157.2 | 58.6 | 0 | 0 | 0 | 0 | 119.9 | ||
| 401 | L | 26.9 | Very low | 49.5 | Very low | 155 Ų | 155 | 72.7 Ų | 72.7 | 81% | 0.812 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 64.6 | 58.7 | 157 | -62.1 | 171.6 | 0 | 0 | 0 | 118.5 | ||
| 402 | N | 27.9 | Very low | 47.2 | Very low | 122 Ų | 122 | 76.8 Ų | 76.8 | 65% | 0.652 | 42% | 0.421 | S | S | * | . | 171.1 | 62.2 | 129.3 | -88.4 | -24.6 | 0 | 0 | 0 | 112.6 | F404 | N402-F404 PolarHBondContact O-N 3.15Š| |||
| 403 | S | 28.9 | Very low | 45.3 | Very low | 69 Ų | 69 | 85.4 Ų | 85.4 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | trans | -79.8 | 42.4 | -178.1 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 404 | F | 32 | Very low | 43.6 | Very low | 122 Ų | 122 | 91.2 Ų | 91.2 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -23.3 | -166.3 | -106.1 | -81.6 | 0 | 0 | 0 | 116.8 | N402 F408 | N402-F404 PolarHBondContact O-N 3.15Å; F404-F408 HydrophobicContact CE1-CE2 4.49Å |
| 405 | D | 32.7 | Very low | 41.4 | Very low | 144 Ų | 144 | 96.8 Ų | 96.8 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -3.5 | -173.9 | -92.3 | -25.3 | 0 | 0 | 0 | 114.7 | ||
| 406 | I | 36.9 | Very low | 39.4 | Very low | 101 Ų | 101 | 102 Ų | 102 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -125.2 | -2.6 | -167 | -49.5 | -179.9 | 0 | 0 | 0 | 113.5 | Y449 | I406-Y449 HydrophobicContact CD1-CE2 4.32Š|
| 407 | L | 30.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 104.7 Ų | 104.7 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -110.1 | -0.4 | -170.5 | -84.3 | 169 | 0 | 0 | 0 | 117 | ||
| 408 | F | 32.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 111 Ų | 111 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | trans | -113 | 113.7 | -179.6 | -70.9 | -67.4 | 0 | 0 | 0 | 113 | F404 F412 | F404-F408 HydrophobicContact CE1-CE2 4.49Å; F408-F412 HydrophobicContact CB-CB 4.4Å; F408-F412 HydrophobicContact CD1-CB 4.01Å; F408-F412 AromaticContact CD1-CD1 3.28Å; F408-F412 HydrophobicContact CD1-CD1 3.28Å; F408-F412 HydrophobicContact CD1-CD2 4.41Å; F408-F412 AromaticContact CD1-CE1 3.77Å; F408-F412 HydrophobicContact CD1-CE1 3.77Å; F408-F412 AromaticContact CD1-CG 3.65Å; F408-F412 HydrophobicContact CD1-CG 3.65Å; F408-F412 AromaticContact CE1-CD1 3.49Å; F408-F412 HydrophobicContact CE1-CD1 3.49Å; F408-F412 VanDerWaalsContact CE1-CD1 3.49Å; F408-F412 AromaticContact CE1-CE1 3.42Å; F408-F412 HydrophobicContact CE1-CE1 3.42Å; F408-F412 VanDerWaalsContact CE1-CE1 3.42Å; F408-F412 HydrophobicContact CE1-CG 4.14Å; F408-F412 HydrophobicContact CE1-CZ 4.04Å; F408-F412 HydrophobicContact CG-CD1 4.2Å; F408-F412 HydrophobicContact CZ-CE1 4.31Å | ||
| 409 | P | 32.7 | Very low | 36 | Very low | 71 Ų | 71 | 113.9 Ų | 113.9 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | trans | -67.2 | 159.9 | 173.6 | 29 | -34.6 | 0 | 0 | 0 | 111.3 | S411 F412 | P409-S411 PolarHBondContact O-N 3.31Å; P409-F412 PolarHBondContact O-N 3.15Å | ||
| 410 | P | 35.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 115 Ų | 115 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -54.5 | -30.7 | -175.6 | -28.5 | 36 | 0 | 0 | 0 | 114.9 | F412 R413 | P410-F412 VanDerWaalsContact C-N 3.3Å; P410-F412 PolarHBondContact O-N 3.12Å; P410-R413 PolarHBondContact O-N 3.2Å |
| 411 | S | 36.1 | Very low | 36.2 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 58% | 0.58 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -59.1 | -34.1 | 175.5 | 43 | 0 | 0 | 0 | 0 | 113.7 | P409 R413 Q414 | P409-S411 PolarHBondContact O-N 3.31Å; S411-R413 VanDerWaalsContact C-N 3.29Å; S411-R413 PolarHBondContact O-N 2.8Å; S411-Q414 PolarHBondContact O-N 2.87Å |
| 412 | F | 38.7 | Very low | 37 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -73.7 | -21 | -178.1 | -148.7 | -97.1 | 0 | 0 | 0 | 112.9 | F408 P409 P410 Q414 F416 | F408-F412 HydrophobicContact CB-CB 4.4Å; F408-F412 HydrophobicContact CD1-CB 4.01Å; F408-F412 AromaticContact CD1-CD1 3.28Å; F408-F412 HydrophobicContact CD1-CD1 3.28Å; F408-F412 HydrophobicContact CD1-CD2 4.41Å; F408-F412 AromaticContact CD1-CE1 3.77Å; F408-F412 HydrophobicContact CD1-CE1 3.77Å; F408-F412 AromaticContact CD1-CG 3.65Å; F408-F412 HydrophobicContact CD1-CG 3.65Å; F408-F412 AromaticContact CE1-CD1 3.49Å; F408-F412 HydrophobicContact CE1-CD1 3.49Å; F408-F412 VanDerWaalsContact CE1-CD1 3.49Å; F408-F412 AromaticContact CE1-CE1 3.42Å; F408-F412 HydrophobicContact CE1-CE1 3.42Å; F408-F412 VanDerWaalsContact CE1-CE1 3.42Å; F408-F412 HydrophobicContact CE1-CG 4.14Å; F408-F412 HydrophobicContact CE1-CZ 4.04Å; F408-F412 HydrophobicContact CG-CD1 4.2Å; F408-F412 HydrophobicContact CZ-CE1 4.31Å; P409-F412 PolarHBondContact O-N 3.15Å; P410-F412 VanDerWaalsContact C-N 3.3Å; P410-F412 PolarHBondContact O-N 3.12Å; F412-Q414 VanDerWaalsContact C-N 3.25Å; F412-Q414 PolarHBondContact O-N 3.16Å; F412-F416 HydrophobicContact CD1-CD2 4.33Å; F412-F416 HydrophobicContact CD1-CE2 4.3Å; F412-F416 HydrophobicContact CE1-CD2 4.04Å; F412-F416 AromaticContact CE1-CE2 3.57Å; F412-F416 HydrophobicContact CE1-CE2 3.57Å; F412-F416 HydrophobicContact CZ-CE2 4.13Å |
| 413 | R | 40 | Very low | 38 | Very low | 203 Ų | 203 | 111.8 Ų | 111.8 | 77% | 0.766 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -70.8 | -17.2 | 177.1 | -70.5 | -172 | 174.5 | -171.2 | -1.7 | 113.7 | P410 S411 | P410-R413 PolarHBondContact O-N 3.2Å; S411-R413 VanDerWaalsContact C-N 3.29Å; S411-R413 PolarHBondContact O-N 2.8Å |
| 414 | Q | 41.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 112.6 Ų | 112.6 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -81.5 | -19 | -177.6 | -71.5 | -174.9 | -19 | 0 | 0 | 114.1 | S411 F412 S417 | S411-Q414 PolarHBondContact O-N 2.87Å; F412-Q414 VanDerWaalsContact C-N 3.25Å; F412-Q414 PolarHBondContact O-N 3.16Å; Q414-S417 PolarHBondContact O-OG 2.78Å; Q414-S417 VanDerWaalsContact O-OG 3.04Å |
| 415 | Q | 38.7 | Very low | 39.2 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -18.8 | -177.4 | -72.9 | 179.6 | -38.6 | 0 | 0 | 114.6 | ||
| 416 | F | 40.5 | Very low | 39.5 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -95.7 | 4.1 | -179.9 | -83.5 | -87.5 | 0 | 0 | 0 | 114.9 | F412 F418 | F412-F416 HydrophobicContact CD1-CD2 4.33Å; F412-F416 HydrophobicContact CD1-CE2 4.3Å; F412-F416 HydrophobicContact CE1-CD2 4.04Å; F412-F416 AromaticContact CE1-CE2 3.57Å; F412-F416 HydrophobicContact CE1-CE2 3.57Å; F412-F416 HydrophobicContact CZ-CE2 4.13Å; F416-F418 VanDerWaalsContact C-N 3.3Å; F416-F418 PolarHBondContact O-N 2.85Å |
| 417 | S | 39.4 | Very low | 39.5 | Very low | 80 Ų | 80 | 109.5 Ų | 109.5 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -22.1 | 175.9 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | Q414 | Q414-S417 PolarHBondContact O-OG 2.78Å; Q414-S417 VanDerWaalsContact O-OG 3.04Å |
| 418 | F | 43.7 | Very low | 39.9 | Very low | 186 Ų | 186 | 111.4 Ų | 111.4 | 82% | 0.816 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -7.9 | -172.4 | -96.2 | -92.6 | 0 | 0 | 0 | 115.9 | F416 | F416-F418 VanDerWaalsContact C-N 3.3Å; F416-F418 PolarHBondContact O-N 2.85Å |
| 419 | F | 40.3 | Very low | 40 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 45% | 0.452 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -98.5 | 138.3 | -176.9 | -72 | -77.8 | 0 | 0 | 0 | 113 | I423 K424 | F419-I423 HydrophobicContact CD1-CD1 4.29Å; F419-I423 HydrophobicContact CD1-CG2 4.37Å; F419-K424 WeakPolarHBondContact O-CE 3.2Å; F419-K424 PolarHBondContact O-NZ 3.26Å |
| 420 | P | 44.5 | Very low | 40.2 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | trans | -71.2 | 152 | 173.4 | 30.3 | -35 | 0 | 0 | 0 | 111.9 | H422 I423 | P420-H422 VanDerWaalsContact C-N 3.29Å; P420-H422 PolarHBondContact O-N 2.86Å; P420-H422 VanDerWaalsContact O-N 3.14Å; P420-I423 HydrophobicContact CG-CD1 4.13Å; P420-I423 HydrophobicContact CG-CG1 4.33Å; P420-I423 PolarHBondContact O-N 3.17Å | ||
| 421 | D | 41.7 | Very low | 40.5 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.7 | -24.6 | -162.4 | -59.9 | -52.6 | 0 | 0 | 0 | 115.4 | I423 K424 L425 | D421-I423 VanDerWaalsContact C-N 3.29Å; D421-I423 PolarHBondContact O-N 2.83Å; D421-K424 WeakPolarHBondContact O-CB 3.35Å; D421-K424 PolarHBondContact O-N 3.33Å; D421-K424 WeakPolarHBondContact OD1-CD 3.37Å; D421-K424 IonicContact OD1-NZ 3.28Å; D421-K424 PolarHBondContact OD1-NZ 3.33Å; D421-L425 PolarHBondContact O-N 2.96Å; D421-L425 VanDerWaalsContact O-N 3.16Å |
| 422 | H | 43.5 | Very low | 40.6 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -29.4 | 175.6 | 62.6 | -96.5 | 0 | 0 | 0 | 112.9 | P420 L425 L426 | P420-H422 VanDerWaalsContact C-N 3.29Å; P420-H422 PolarHBondContact O-N 2.86Å; P420-H422 VanDerWaalsContact O-N 3.14Å; H422-L425 PolarHBondContact O-N 2.84Å; H422-L426 PolarHBondContact O-N 3.04Å; H422-L426 VanDerWaalsContact O-N 3.11Å |
| 423 | I | 48.4 | Very low | 40.2 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 33% | 0.328 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.9 | -37.6 | 175.3 | -60.7 | -174.9 | 0 | 0 | 0 | 110.4 | F419 P420 D421 L425 L426 C427 | F419-I423 HydrophobicContact CD1-CD1 4.29Å; F419-I423 HydrophobicContact CD1-CG2 4.37Å; P420-I423 HydrophobicContact CG-CD1 4.13Å; P420-I423 HydrophobicContact CG-CG1 4.33Å; P420-I423 PolarHBondContact O-N 3.17Å; D421-I423 VanDerWaalsContact C-N 3.29Å; D421-I423 PolarHBondContact O-N 2.83Å; I423-L425 PolarHBondContact O-N 3.07Å; I423-L426 PolarHBondContact O-N 3.03Å; I423-C427 PolarHBondContact O-N 3.33Å; I423-C427 VanDerWaalsContact O-N 3.09Å; I423-C427 PolarHBondContact O-SG 2.96Å |
| 424 | K | 45 | Very low | 40 | Very low | 87 Ų | 87 | 121.1 Ų | 121.1 | 38% | 0.378 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.6 | -38.3 | 173.9 | -57.2 | 175.3 | -169.9 | 150.8 | 0 | 111 | F419 D421 F428 | F419-K424 WeakPolarHBondContact O-CE 3.2Å; F419-K424 PolarHBondContact O-NZ 3.26Å; D421-K424 WeakPolarHBondContact O-CB 3.35Å; D421-K424 PolarHBondContact O-N 3.33Å; D421-K424 WeakPolarHBondContact OD1-CD 3.37Å; D421-K424 IonicContact OD1-NZ 3.28Å; D421-K424 PolarHBondContact OD1-NZ 3.33Å; K424-F428 PolarHBondContact O-N 2.82Å |
| 425 | L | 41.4 | Very low | 39.6 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 67% | 0.665 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.5 | -38.6 | 177.7 | -153.6 | 72.3 | 0 | 0 | 0 | 112.9 | D421 H422 I423 F428 Y429 | D421-L425 PolarHBondContact O-N 2.96Å; D421-L425 VanDerWaalsContact O-N 3.16Å; H422-L425 PolarHBondContact O-N 2.84Å; I423-L425 PolarHBondContact O-N 3.07Å; L425-F428 VanDerWaalsContact O-CB 3.28Å; L425-F428 WeakPolarHBondContact O-CB 3.4Å; L425-F428 PolarHBondContact O-N 3.2Å; L425-Y429 PolarHBondContact O-N 3.37Å |
| 426 | L | 37.8 | Very low | 39.2 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 176.5 | -88 | 160.5 | 0 | 0 | 0 | 112.8 | H422 I423 F428 Y429 F430 | H422-L426 PolarHBondContact O-N 3.04Å; H422-L426 VanDerWaalsContact O-N 3.11Å; I423-L426 PolarHBondContact O-N 3.03Å; L426-F428 PolarHBondContact O-N 3.29Å; L426-Y429 PolarHBondContact O-N 3.11Å; L426-Y429 VanDerWaalsContact O-N 3.12Å; L426-F430 PolarHBondContact O-N 2.89Å |
| 427 | C | 38.2 | Very low | 38.6 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 50% | 0.5 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.8 | -30.8 | 174.2 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | I423 | I423-C427 PolarHBondContact O-N 3.33Å; I423-C427 VanDerWaalsContact O-N 3.09Å; I423-C427 PolarHBondContact O-SG 2.96Å |
| 428 | F | 38.1 | Very low | 38.3 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 61% | 0.605 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.7 | -34.2 | 174.1 | -123.9 | -91.1 | 0 | 0 | 0 | 112.8 | K424 L425 L426 S432 | K424-F428 PolarHBondContact O-N 2.82Å; L425-F428 VanDerWaalsContact O-CB 3.28Å; L425-F428 WeakPolarHBondContact O-CB 3.4Å; L425-F428 PolarHBondContact O-N 3.2Å; L426-F428 PolarHBondContact O-N 3.29Å; F428-S432 PolarHBondContact O-OG 2.99Å |
| 429 | Y | 34.5 | Very low | 37.5 | Very low | 177 Ų | 177 | 121.2 Ų | 121.2 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.3 | -26.6 | -176.9 | -134.2 | -90.7 | 0 | 0 | 0 | 113.5 | L425 L426 S432 | L425-Y429 PolarHBondContact O-N 3.37Å; L426-Y429 PolarHBondContact O-N 3.11Å; L426-Y429 VanDerWaalsContact O-N 3.12Å; Y429-S432 PolarHBondContact O-OG 3.41Å |
| 430 | F | 36.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 80% | 0.798 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.8 | -19.6 | -178.6 | -106.8 | -89.1 | 0 | 0 | 0 | 114.7 | L426 | L426-F430 PolarHBondContact O-N 2.89Å |
| 431 | I | 41.2 | Very low | 36.5 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 72% | 0.723 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -89.3 | -18.6 | -178 | -64.3 | 171.5 | 0 | 0 | 0 | 111.8 | ||
| 432 | S | 38.2 | Very low | 36.5 | Very low | 86 Ų | 86 | 123 Ų | 123 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -93.3 | 5.6 | -168.2 | 36 | 0 | 0 | 0 | 0 | 115.3 | F428 Y429 | F428-S432 PolarHBondContact O-OG 2.99Å; Y429-S432 PolarHBondContact O-OG 3.41Å |
| 433 | C | 31.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | trans | -116.3 | 73.5 | -176.9 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 434 | H | 36.5 | Very low | 35.7 | Very low | 190 Ų | 190 | 126.2 Ų | 126.2 | 88% | 0.88 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -156.2 | 139.9 | 146.8 | -120.8 | -84.7 | 0 | 0 | 0 | 112.2 | ||
| 435 | S | 30.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | trans | -68.3 | 130.8 | -165.9 | -42.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 436 | F | 32.1 | Very low | 35.4 | Very low | 195 Ų | 195 | 122.8 Ų | 122.8 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | trans | -164.4 | 129.4 | 138.2 | -109.6 | -71.2 | 0 | 0 | 0 | 110.8 | ||||
| 437 | G | 27 | Very low | 35.7 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 76% | 0.763 | 61% | 0.614 | S | S | * | * | trans | -121.2 | 125.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 438 | I | 32.1 | Very low | 36.1 | Very low | 151 Ų | 151 | 116.8 Ų | 116.8 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | trans | -138.4 | 137 | 175.2 | -61.4 | -177.4 | 0 | 0 | 0 | 108.8 | ||||
| 439 | L | 28.2 | Very low | 36.5 | Very low | 151 Ų | 151 | 113.1 Ų | 113.1 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -78.7 | 128.5 | -177 | -68.2 | 82.2 | 0 | 0 | 0 | 112.3 | ||||
| 440 | L | 31.5 | Very low | 37.9 | Very low | 132 Ų | 132 | 106.2 Ų | 106.2 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | trans | -134.3 | 65.9 | 162.5 | -82.9 | 176.8 | 0 | 0 | 0 | 112.7 | S442 | L440-S442 PolarHBondContact O-N 3.2Å; L440-S442 VanDerWaalsContact O-N 3.16Å | ||
| 441 | H | 32.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 101.1 Ų | 101.1 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | trans | -72 | 101.1 | 162.5 | -81.3 | 147.2 | 0 | 0 | 0 | 110.5 | R511 | H441-R511 PolarHBondContact CE1-NH2 2.8Å; H441-R511 VanDerWaalsContact CE1-NH2 3.3Å; H441-R511 PolarHBondContact NE2-NH1 3.01Å; H441-R511 PolarHBondContact NE2-NH2 3.05Å | ||
| 442 | S | 40.3 | Very low | 41.5 | Very low | 65 Ų | 65 | 94.9 Ų | 94.9 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | trans | -134.2 | 122.6 | 164.7 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | L440 H444 F445 | L440-S442 PolarHBondContact O-N 3.2Å; L440-S442 VanDerWaalsContact O-N 3.16Å; S442-H444 PolarHBondContact O-N 3.14Å; S442-F445 PolarHBondContact O-N 3.1Å | ||
| 443 | Y | 38 | Very low | 43.7 | Very low | 138 Ų | 138 | 91 Ų | 91 | 54% | 0.541 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 18.8 | -171.2 | -68.3 | -94.1 | 0 | 0 | 0 | 114.7 | N485 | Y443-N485 HydrophobicContact CE1-CB 4.43Š|
| 444 | H | 38.7 | Very low | 46 | Very low | 115 Ų | 115 | 87.4 Ų | 87.4 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -2.3 | -177.5 | -142 | -69.7 | 0 | 0 | 0 | 113.4 | S442 | S442-H444 PolarHBondContact O-N 3.14Š|
| 445 | F | 37.5 | Very low | 47.8 | Very low | 109 Ų | 109 | 81.1 Ų | 81.1 | 48% | 0.478 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -75 | -36.5 | -166.8 | -162.1 | -102.9 | 0 | 0 | 0 | 114.2 | S442 | S442-F445 PolarHBondContact O-N 3.1Š|
| 446 | L | 42.7 | Very low | 49.6 | Very low | 32 Ų | 32 | 78.1 Ų | 78.1 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.8 | -32.5 | -165.2 | -68.1 | 162 | 0 | 0 | 0 | 114.6 | L448 F450 Y453 Y487 I593 | L446-L448 VanDerWaalsContact C-N 3.34Å; L446-L448 PolarHBondContact O-N 2.78Å; L446-F450 HydrophobicContact CD2-CD2 4.16Å; L446-F450 HydrophobicContact CD2-CE2 4.05Å; L446-F450 PolarHBondContact O-N 2.97Å; L446-Y453 HydrophobicContact CB-CD1 4.26Å; L446-Y453 HydrophobicContact CB-CD2 3.49Å; L446-Y453 VanDerWaalsContact CB-CD2 3.49Å; L446-Y453 HydrophobicContact CB-CE1 4.23Å; L446-Y453 HydrophobicContact CB-CE2 3.42Å; L446-Y453 VanDerWaalsContact CB-CE2 3.42Å; L446-Y453 HydrophobicContact CB-CG 3.89Å; L446-Y453 HydrophobicContact CD1-CD2 4.24Å; L446-Y453 HydrophobicContact CD1-CE2 3.59Å; L446-Y453 HydrophobicContact CG-CD2 4.37Å; L446-Y453 HydrophobicContact CG-CE2 4.11Å; L446-Y453 WeakPolarHBondContact O-CB 3.49Å; L446-Y487 HydrophobicContact CD1-CE1 3.79Å; L446-Y487 HydrophobicContact CD1-CE2 4.37Å; L446-I593 HydrophobicContact CD1-CD1 3.71Å; L446-I593 HydrophobicContact CD2-CD1 4.33Å |
| 447 | S | 42.9 | Very low | 52 | Low | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -80.7 | -9.5 | -166.4 | 76.5 | 0 | 0 | 0 | 0 | 116.6 | R619 | S447-R619 PolarHBondContact O-NH1 2.88Å |
| 448 | L | 47 | Very low | 54.7 | Low | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -109.9 | -32.1 | -172.1 | -61.7 | 174.7 | 0 | 0 | 0 | 112 | V348 H396 L446 | V348-L448 HydrophobicContact CG1-CD2 4.35Å; V348-L448 HydrophobicContact CG2-CB 4.12Å; V348-L448 HydrophobicContact CG2-CD2 4.27Å; H396-L448 HydrophobicContact CB-CB 3.83Å; H396-L448 HydrophobicContact CB-CD1 4.09Å; L446-L448 VanDerWaalsContact C-N 3.34Å; L446-L448 PolarHBondContact O-N 2.78Å |
| 449 | Y | 47.4 | Very low | 57.2 | Low | 61 Ų | 61 | 60.1 Ų | 60.1 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -81.6 | -38.7 | 175.7 | -169.7 | -97.6 | 0 | 0 | 0 | 112.4 | H396 I406 | H396-Y449 AromaticContact NE2-CD2 3.58Å; I406-Y449 HydrophobicContact CD1-CE2 4.32Å |
| 450 | F | 62.4 | Low | 60.1 | Low | 32 Ų | 32 | 53.1 Ų | 53.1 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -101.9 | 116.2 | -173.7 | -64.6 | -66.2 | 0 | 0 | 0 | 112.9 | L446 W452 Y453 S594 | L446-F450 HydrophobicContact CD2-CD2 4.16Å; L446-F450 HydrophobicContact CD2-CE2 4.05Å; L446-F450 PolarHBondContact O-N 2.97Å; F450-W452 HydrophobicContact CB-CD2 3.75Å; F450-W452 HydrophobicContact CB-CE3 4.12Å; F450-W452 HydrophobicContact CB-CG 4.23Å; F450-W452 HydrophobicContact CB-CH2 4.12Å; F450-W452 HydrophobicContact CB-CZ2 3.75Å; F450-W452 HydrophobicContact CB-CZ3 4.29Å; F450-W452 HydrophobicContact CD1-CD2 4.5Å; F450-W452 AromaticContact CD1-CE2 3.45Å; F450-W452 VanDerWaalsContact CD1-CE2 3.45Å; F450-W452 HydrophobicContact CD1-CH2 4.21Å; F450-W452 AromaticContact CD1-CZ2 3.28Å; F450-W452 HydrophobicContact CD1-CZ2 3.28Å; F450-W452 AromaticContact CD1-NE1 3.42Å; F450-W452 AromaticContact CD2-CH2 3.72Å; F450-W452 HydrophobicContact CD2-CH2 3.72Å; F450-W452 AromaticContact CD2-CZ2 3.64Å; F450-W452 HydrophobicContact CD2-CZ2 3.64Å; F450-W452 HydrophobicContact CD2-CZ3 4.47Å; F450-W452 AromaticContact CE1-CZ2 3.68Å; F450-W452 HydrophobicContact CE1-CZ2 3.68Å; F450-W452 HydrophobicContact CE2-CH2 4.15Å; F450-W452 HydrophobicContact CE2-CZ2 4.02Å; F450-W452 HydrophobicContact CG-CD2 4.23Å; F450-W452 AromaticContact CG-CE2 3.51Å; F450-W452 AromaticContact CG-CH2 3.75Å; F450-W452 HydrophobicContact CG-CH2 3.75Å; F450-W452 AromaticContact CG-CZ2 3.26Å; F450-W452 HydrophobicContact CG-CZ2 3.26Å; F450-W452 HydrophobicContact CG-CZ3 4.41Å; F450-W452 AromaticContact CG-NE1 3.88Å; F450-W452 HydrophobicContact CZ-CZ2 4.03Å; F450-W452 PolarHBondContact O-N 3.03Å; F450-W452 VanDerWaalsContact O-N 3.11Å; F450-Y453 PolarHBondContact O-N 3.12Å; F450-S594 WeakPolarHBondContact CE1-OG 3.45Å | ||
| 451 | S | 71.8 | Confident | 62.7 | Low | 74 Ų | 74 | 47.8 Ų | 47.8 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.4 | 173.8 | 52 | 0 | 0 | 0 | 0 | 114 | R619 | S451-R619 PolarHBondContact O-NH2 2.9Š|
| 452 | W | 83.2 | Confident | 65.4 | Low | 10 Ų | 10 | 41.8 Ų | 41.8 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15 | 172.3 | 48.9 | -99.6 | 0 | 0 | 0 | 114.7 | F450 F475 L476 V477 I593 I597 P614 | F450-W452 HydrophobicContact CB-CD2 3.75Å; F450-W452 HydrophobicContact CB-CE3 4.12Å; F450-W452 HydrophobicContact CB-CG 4.23Å; F450-W452 HydrophobicContact CB-CH2 4.12Å; F450-W452 HydrophobicContact CB-CZ2 3.75Å; F450-W452 HydrophobicContact CB-CZ3 4.29Å; F450-W452 HydrophobicContact CD1-CD2 4.5Å; F450-W452 AromaticContact CD1-CE2 3.45Å; F450-W452 VanDerWaalsContact CD1-CE2 3.45Å; F450-W452 HydrophobicContact CD1-CH2 4.21Å; F450-W452 AromaticContact CD1-CZ2 3.28Å; F450-W452 HydrophobicContact CD1-CZ2 3.28Å; F450-W452 AromaticContact CD1-NE1 3.42Å; F450-W452 AromaticContact CD2-CH2 3.72Å; F450-W452 HydrophobicContact CD2-CH2 3.72Å; F450-W452 AromaticContact CD2-CZ2 3.64Å; F450-W452 HydrophobicContact CD2-CZ2 3.64Å; F450-W452 HydrophobicContact CD2-CZ3 4.47Å; F450-W452 AromaticContact CE1-CZ2 3.68Å; F450-W452 HydrophobicContact CE1-CZ2 3.68Å; F450-W452 HydrophobicContact CE2-CH2 4.15Å; F450-W452 HydrophobicContact CE2-CZ2 4.02Å; F450-W452 HydrophobicContact CG-CD2 4.23Å; F450-W452 AromaticContact CG-CE2 3.51Å; F450-W452 AromaticContact CG-CH2 3.75Å; F450-W452 HydrophobicContact CG-CH2 3.75Å; F450-W452 AromaticContact CG-CZ2 3.26Å; F450-W452 HydrophobicContact CG-CZ2 3.26Å; F450-W452 HydrophobicContact CG-CZ3 4.41Å; F450-W452 AromaticContact CG-NE1 3.88Å; F450-W452 HydrophobicContact CZ-CZ2 4.03Å; F450-W452 PolarHBondContact O-N 3.03Å; F450-W452 VanDerWaalsContact O-N 3.11Å; W452-F475 HydrophobicContact CB-CD2 4.14Å; W452-F475 HydrophobicContact CB-CE2 3.47Å; W452-F475 VanDerWaalsContact CB-CE2 3.47Å; W452-F475 HydrophobicContact CB-CZ 3.97Å; W452-F475 HydrophobicContact CD2-CE2 4.44Å; W452-F475 AromaticContact CG-CE2 3.77Å; W452-F475 HydrophobicContact CG-CE2 3.77Å; W452-F475 HydrophobicContact CG-CZ 4.2Å; W452-L476 CarbonylContact O-C 3.6Å; W452-L476 WeakPolarHBondContact O-CA 3.41Å; W452-L476 VanDerWaalsContact O-CB 3.26Å; W452-L476 WeakPolarHBondContact O-CB 3.42Å; W452-V477 HydrophobicContact CE3-CB 3.71Å; W452-V477 HydrophobicContact CE3-CG2 3.48Å; W452-V477 VanDerWaalsContact CE3-CG2 3.48Å; W452-V477 HydrophobicContact CZ3-CB 3.8Å; W452-V477 HydrophobicContact CZ3-CG1 4.39Å; W452-V477 HydrophobicContact CZ3-CG2 3.63Å; W452-V477 PolarHBondContact O-N 3.49Å; W452-I593 HydrophobicContact CH2-CB 4.17Å; W452-I593 HydrophobicContact CH2-CG2 3.63Å; W452-I593 HydrophobicContact CZ3-CG2 3.74Å; W452-I597 HydrophobicContact CD2-CG1 4.22Å; W452-I597 HydrophobicContact CD2-CG2 4.47Å; W452-I597 HydrophobicContact CE3-CG1 4.25Å; W452-I597 HydrophobicContact CH2-CG1 4.15Å; W452-I597 HydrophobicContact CZ2-CB 4.36Å; W452-I597 HydrophobicContact CZ2-CG1 4.08Å; W452-I597 HydrophobicContact CZ3-CG1 4.22Å; W452-P614 HydrophobicContact CB-CB 4.1Å |
| 453 | Y | 83 | Confident | 67.8 | Low | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.7 | -178.1 | -171.2 | -70.2 | 0 | 0 | 0 | 112.5 | L446 F450 K455 V477 D479 Y487 R619 | L446-Y453 HydrophobicContact CB-CD1 4.26Å; L446-Y453 HydrophobicContact CB-CD2 3.49Å; L446-Y453 VanDerWaalsContact CB-CD2 3.49Å; L446-Y453 HydrophobicContact CB-CE1 4.23Å; L446-Y453 HydrophobicContact CB-CE2 3.42Å; L446-Y453 VanDerWaalsContact CB-CE2 3.42Å; L446-Y453 HydrophobicContact CB-CG 3.89Å; L446-Y453 HydrophobicContact CD1-CD2 4.24Å; L446-Y453 HydrophobicContact CD1-CE2 3.59Å; L446-Y453 HydrophobicContact CG-CD2 4.37Å; L446-Y453 HydrophobicContact CG-CE2 4.11Å; L446-Y453 WeakPolarHBondContact O-CB 3.49Å; F450-Y453 PolarHBondContact O-N 3.12Å; Y453-K455 HydrophobicContact CE1-CB 3.94Å; Y453-K455 HydrophobicContact CE1-CG 4.15Å; Y453-V477 CarbonylContact C-O 3.57Å; Y453-V477 WeakPolarHBondContact CA-O 3.39Å; Y453-V477 HydrophobicContact CD2-CB 4.18Å; Y453-V477 HydrophobicContact CD2-CG1 4.01Å; Y453-V477 HydrophobicContact CE2-CG1 4.29Å; Y453-D479 PolarHBondContact OH-OD1 2.91Å; Y453-D479 PolarHBondContact OH-OD2 3.18Å; Y453-Y487 AromaticContact CE2-CD1 3.75Å; Y453-Y487 HydrophobicContact CE2-CD1 3.75Å; Y453-Y487 AromaticContact CE2-CE1 3.84Å; Y453-Y487 HydrophobicContact CE2-CE1 3.84Å; Y453-Y487 VanDerWaalsContact OH-CE1 3.27Å; Y453-Y487 WeakPolarHBondContact OH-CE1 3.43Å; Y453-R619 VanDerWaalsContact O-CZ 3.29Å; Y453-R619 PolarHBondContact O-NH1 2.84Å; Y453-R619 PolarHBondContact O-NH2 3.46Å |
| 454 | Y | 81.3 | Confident | 70.2 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 111.4 | 176 | -73.8 | -112.8 | 0 | 0 | 0 | 109.8 | I457 I465 L476 V477 R478 P615 R619 | Y454-I457 VanDerWaalsContact CB-CD1 3.46Å; Y454-I457 HydrophobicContact CD1-CD1 4.2Å; Y454-I457 HydrophobicContact CG-CD1 4.04Å; Y454-I465 HydrophobicContact CD1-CD1 3.98Å; Y454-I465 HydrophobicContact CE1-CD1 3.95Å; Y454-I465 HydrophobicContact CE1-CG2 4.39Å; Y454-L476 HydrophobicContact CD2-CB 3.76Å; Y454-L476 HydrophobicContact CD2-CD2 3.96Å; Y454-L476 HydrophobicContact CD2-CG 4.33Å; Y454-L476 HydrophobicContact CE2-CB 4.08Å; Y454-L476 HydrophobicContact CE2-CD2 4.22Å; Y454-L476 HydrophobicContact CG-CD2 4.25Å; Y454-V477 PolarHBondContact N-O 3.28Å; Y454-R478 WeakPolarHBondContact O-CA 3.41Å; Y454-P615 HydrophobicContact CE2-CG 4.01Å; Y454-P615 WeakPolarHBondContact OH-CB 3.27Å; Y454-R619 HydrophobicContact CE1-CG 3.92Å; Y454-R619 PolarHBondContact OH-NE 3.44Å |
| 455 | K | 73.1 | Confident | 72.5 | Confident | 58 Ų | 58 | 29.8 Ų | 29.8 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 149.2 | 179.1 | -150.4 | -175.1 | 166 | -70 | 0 | 111.2 | Y453 I457 D479 | Y453-K455 HydrophobicContact CE1-CB 3.94Å; Y453-K455 HydrophobicContact CE1-CG 4.15Å; K455-I457 PolarHBondContact O-N 2.86Å; K455-D479 WeakPolarHBondContact CG-OD2 3.34Å |
| 456 | D | 70.2 | Confident | 75.1 | Confident | 42 Ų | 42 | 24.6 Ų | 24.6 | 23% | 0.225 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 13.1 | 166.7 | -47.7 | -44.7 | 0 | 0 | 0 | 116.6 | P692 | D456-P692 HydrophobicContact CB-CG 4.14Š|
| 457 | I | 80.6 | Confident | 77.4 | Confident | 23 Ų | 23 | 25.7 Ų | 25.7 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | trans | -87.9 | 144.5 | 178.4 | 65.7 | 164.8 | 0 | 0 | 0 | 113.1 | Y454 K455 Q461 A462 I465 L476 R478 | Y454-I457 VanDerWaalsContact CB-CD1 3.46Å; Y454-I457 HydrophobicContact CD1-CD1 4.2Å; Y454-I457 HydrophobicContact CG-CD1 4.04Å; K455-I457 PolarHBondContact O-N 2.86Å; I457-Q461 VanDerWaalsContact CA-OE1 3.3Å; I457-Q461 HydrophobicContact CB-CB 4.11Å; I457-A462 HydrophobicContact CD1-CB 3.76Å; I457-I465 HydrophobicContact CD1-CD1 4.14Å; I457-L476 HydrophobicContact CD1-CD1 4.08Å; I457-L476 HydrophobicContact CD1-CD2 4.2Å; I457-R478 HydrophobicContact CD1-CB 4.39Å; I457-R478 HydrophobicContact CG1-CB 3.84Å | ||
| 458 | T | 84.3 | Confident | 79.6 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | trans | -73.1 | 169.2 | 174.6 | 73 | 0 | 0 | 0 | 0 | 112 | Q460 Q461 A462 D739 A742 Q743 | T458-Q460 VanDerWaalsContact C-N 3.34Å; T458-Q460 PolarHBondContact O-N 3.11Å; T458-Q461 PolarHBondContact O-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-CG 3.32Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.35Å; T458-Q461 PolarHBondContact OG1-N 3.46Å; T458-Q461 VanDerWaalsContact OG1-N 3.14Å; T458-A462 PolarHBondContact O-N 3.19Å; T458-D739 VanDerWaalsContact CB-OD1 3.31Å; T458-D739 WeakPolarHBondContact CB-OD1 3.38Å; T458-D739 VanDerWaalsContact CG2-OD1 3.3Å; T458-D739 WeakPolarHBondContact CG2-OD1 3.29Å; T458-D739 PolarHBondContact OG1-OD1 3.33Å; T458-A742 HydrophobicContact CG2-CB 4.37Å; T458-Q743 HydrophobicContact CG2-CG 3.77Å | ||
| 459 | R | 85.9 | Confident | 81.6 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 4% | 0.038 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 173.3 | 177.2 | 161.7 | 179 | 176.4 | -12.7 | 111.5 | Q461 A462 E463 H506 D899 C902 | R459-Q461 PolarHBondContact O-N 2.94Å; R459-A462 WeakPolarHBondContact O-CB 3.37Å; R459-A462 PolarHBondContact O-N 3.25Å; R459-A462 VanDerWaalsContact O-N 3.16Å; R459-E463 HydrophobicContact CG-CG 4.33Å; R459-E463 WeakPolarHBondContact CG-OE1 3.41Å; R459-E463 IonicContact CZ-OE1 2.67Å; R459-E463 IonicContact NE-OE1 2.79Å; R459-E463 PolarHBondContact NE-OE1 3.02Å; R459-E463 IonicContact NH2-OE1 3.43Å; R459-E463 WeakPolarHBondContact O-CG 3.49Å; R459-E463 PolarHBondContact O-N 2.72Å; R459-H506 PolarHBondContact NE-CD2 2.99Å; R459-H506 PolarHBondContact NH2-CD2 3.18Å; R459-D899 WeakPolarHBondContact CD-OD1 3.5Å; R459-D899 PolarHBondContact NH1-O 2.74Å; R459-C902 PolarHBondContact NE-SG 3.01Å |
| 460 | Q | 87.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.7 | -32.7 | -177.6 | -72.7 | 63.1 | 39.4 | 0 | 0 | 112.1 | T458 A464 V735 D739 C902 | T458-Q460 VanDerWaalsContact C-N 3.34Å; T458-Q460 PolarHBondContact O-N 3.11Å; Q460-A464 VanDerWaalsContact O-CB 3.28Å; Q460-A464 WeakPolarHBondContact O-CB 3.34Å; Q460-A464 PolarHBondContact O-N 3.24Å; Q460-V735 HydrophobicContact CG-CG1 4.02Å; Q460-D739 HydrophobicContact CB-CB 4.1Å; Q460-D739 HydrophobicContact CG-CB 4.18Å; Q460-C902 PolarHBondContact NE2-SG 2.99Å |
| 461 | Q | 87.2 | Confident | 85 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 169.5 | -72.8 | 175.9 | -22 | 0 | 0 | 111.7 | I457 T458 R459 A464 I465 | I457-Q461 VanDerWaalsContact CA-OE1 3.3Å; I457-Q461 HydrophobicContact CB-CB 4.11Å; T458-Q461 PolarHBondContact O-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-CG 3.32Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.35Å; T458-Q461 PolarHBondContact OG1-N 3.46Å; T458-Q461 VanDerWaalsContact OG1-N 3.14Å; R459-Q461 PolarHBondContact O-N 2.94Å; Q461-A464 PolarHBondContact O-N 2.85Å; Q461-I465 WeakPolarHBondContact O-CD1 3.36Å; Q461-I465 VanDerWaalsContact O-CG1 3.26Å; Q461-I465 WeakPolarHBondContact O-CG1 3.14Å; Q461-I465 PolarHBondContact O-N 2.88Å |
| 462 | A | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | I457 T458 R459 I465 L466 L476 | I457-A462 HydrophobicContact CD1-CB 3.76Å; T458-A462 PolarHBondContact O-N 3.19Å; R459-A462 WeakPolarHBondContact O-CB 3.37Å; R459-A462 PolarHBondContact O-N 3.25Å; R459-A462 VanDerWaalsContact O-N 3.16Å; A462-I465 PolarHBondContact O-N 2.89Å; A462-L466 WeakPolarHBondContact O-CB 3.47Å; A462-L466 VanDerWaalsContact O-CG 3.31Å; A462-L466 WeakPolarHBondContact O-CG 3.49Å; A462-L466 PolarHBondContact O-N 2.7Å; A462-L476 HydrophobicContact CB-CD1 3.95Å; A462-L476 HydrophobicContact CB-CD2 4.24Å |
| 463 | E | 90.2 | Very high | 86.5 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.1 | -71.1 | 167.2 | 168.6 | 0 | 0 | 110.7 | R459 I465 L466 L467 V504 H506 C902 | R459-E463 HydrophobicContact CG-CG 4.33Å; R459-E463 WeakPolarHBondContact CG-OE1 3.41Å; R459-E463 IonicContact CZ-OE1 2.67Å; R459-E463 IonicContact NE-OE1 2.79Å; R459-E463 PolarHBondContact NE-OE1 3.02Å; R459-E463 IonicContact NH2-OE1 3.43Å; R459-E463 WeakPolarHBondContact O-CG 3.49Å; R459-E463 PolarHBondContact O-N 2.72Å; E463-I465 PolarHBondContact O-N 3.18Å; E463-L466 PolarHBondContact O-N 2.96Å; E463-L467 WeakPolarHBondContact O-CB 3.21Å; E463-L467 VanDerWaalsContact O-CG 3.24Å; E463-L467 WeakPolarHBondContact O-CG 3.14Å; E463-L467 PolarHBondContact O-N 3.41Å; E463-V504 HydrophobicContact CB-CG2 4.45Å; E463-V504 HydrophobicContact CG-CB 4.03Å; E463-V504 HydrophobicContact CG-CG1 4.09Å; E463-V504 HydrophobicContact CG-CG2 4.34Å; E463-H506 IonicContact OE1-CD2 2.74Å; E463-C902 PolarHBondContact OE1-SG 3.33Å |
| 464 | A | 87.5 | Confident | 87 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q460 Q461 D468 N772 | Q460-A464 VanDerWaalsContact O-CB 3.28Å; Q460-A464 WeakPolarHBondContact O-CB 3.34Å; Q460-A464 PolarHBondContact O-N 3.24Å; Q461-A464 PolarHBondContact O-N 2.85Å; A464-D468 VanDerWaalsContact O-CB 3.25Å; A464-D468 WeakPolarHBondContact O-CB 3.17Å; A464-D468 PolarHBondContact O-N 3.1Å; A464-D468 VanDerWaalsContact O-N 3.08Å; A464-N772 HydrophobicContact CB-CB 3.88Å |
| 465 | I | 88.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 176.1 | -69 | 161.8 | 0 | 0 | 0 | 110.6 | Y454 I457 Q461 A462 E463 D468 E469 L476 P615 | Y454-I465 HydrophobicContact CD1-CD1 3.98Å; Y454-I465 HydrophobicContact CE1-CD1 3.95Å; Y454-I465 HydrophobicContact CE1-CG2 4.39Å; I457-I465 HydrophobicContact CD1-CD1 4.14Å; Q461-I465 WeakPolarHBondContact O-CD1 3.36Å; Q461-I465 VanDerWaalsContact O-CG1 3.26Å; Q461-I465 WeakPolarHBondContact O-CG1 3.14Å; Q461-I465 PolarHBondContact O-N 2.88Å; A462-I465 PolarHBondContact O-N 2.89Å; E463-I465 PolarHBondContact O-N 3.18Å; I465-D468 PolarHBondContact O-N 3.22Å; I465-E469 WeakPolarHBondContact O-CG 3.39Å; I465-E469 PolarHBondContact O-N 2.84Å; I465-E469 VanDerWaalsContact O-N 3.15Å; I465-L476 HydrophobicContact CB-CD2 4.46Å; I465-L476 HydrophobicContact CG2-CD2 4.17Å; I465-P615 HydrophobicContact CG2-CB 4.21Å; I465-P615 HydrophobicContact CG2-CG 3.86Å |
| 466 | L | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.1 | -33 | -175.9 | -74.3 | 178.1 | 0 | 0 | 0 | 113.5 | A462 E463 C474 L476 S490 T492 V504 P615 | A462-L466 WeakPolarHBondContact O-CB 3.47Å; A462-L466 VanDerWaalsContact O-CG 3.31Å; A462-L466 WeakPolarHBondContact O-CG 3.49Å; A462-L466 PolarHBondContact O-N 2.7Å; E463-L466 PolarHBondContact O-N 2.96Å; L466-C474 HydrophobicContact CD2-CB 4.29Å; L466-L476 HydrophobicContact CD1-CD2 4.36Å; L466-L476 HydrophobicContact CD1-CG 4.15Å; L466-L476 HydrophobicContact CD2-CD2 4.18Å; L466-L476 HydrophobicContact CD2-CG 4.29Å; L466-L476 HydrophobicContact CG-CD2 3.96Å; L466-L476 HydrophobicContact CG-CG 4.23Å; L466-S490 WeakPolarHBondContact CD1-O 3.47Å; L466-T492 HydrophobicContact CB-CG2 3.79Å; L466-T492 WeakPolarHBondContact O-CG2 3.26Å; L466-V504 HydrophobicContact CB-CG2 4.26Å; L466-V504 HydrophobicContact CD1-CG1 3.74Å; L466-P615 HydrophobicContact CD2-CG 4.28Å |
| 467 | L | 90.6 | Very high | 89.5 | Confident | 55 Ų | 55 | 25.9 Ų | 25.9 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -75.1 | -38.5 | 175 | -68 | 172.9 | 0 | 0 | 0 | 112 | E463 E469 N470 L502 V504 | E463-L467 WeakPolarHBondContact O-CB 3.21Å; E463-L467 VanDerWaalsContact O-CG 3.24Å; E463-L467 WeakPolarHBondContact O-CG 3.14Å; E463-L467 PolarHBondContact O-N 3.41Å; L467-E469 VanDerWaalsContact C-N 3.26Å; L467-E469 PolarHBondContact O-N 2.88Å; L467-N470 WeakPolarHBondContact O-CA 3.49Å; L467-N470 PolarHBondContact O-N 3.26Å; L467-L502 HydrophobicContact CD2-CB 4.02Å; L467-L502 VanDerWaalsContact CD2-O 3.3Å; L467-L502 WeakPolarHBondContact CD2-O 3.2Å; L467-V504 HydrophobicContact CD1-CG2 4.43Å; L467-V504 HydrophobicContact CD2-CG2 3.9Å; L467-V504 HydrophobicContact CG-CG2 3.86Å |
| 468 | D | 88.5 | Confident | 89.8 | Confident | 97 Ų | 97 | 24.8 Ų | 24.8 | 52% | 0.519 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.5 | -28.4 | 175.2 | -179 | 53.1 | 0 | 0 | 0 | 112.6 | A464 I465 N470 K617 | A464-D468 VanDerWaalsContact O-CB 3.25Å; A464-D468 WeakPolarHBondContact O-CB 3.17Å; A464-D468 PolarHBondContact O-N 3.1Å; A464-D468 VanDerWaalsContact O-N 3.08Å; I465-D468 PolarHBondContact O-N 3.22Å; D468-N470 PolarHBondContact O-N 2.95Å; D468-K617 PolarHBondContact O-NZ 2.64Å; D468-K617 IonicContact OD1-NZ 2.82Å; D468-K617 PolarHBondContact OD1-NZ 2.72Å; D468-K617 WeakPolarHBondContact OD2-CD 3.35Å; D468-K617 IonicContact OD2-NZ 2.83Å; D468-K617 PolarHBondContact OD2-NZ 3.44Å |
| 469 | E | 89.4 | Confident | 89.7 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21 | 169.5 | -76.3 | -74.2 | 151.8 | 0 | 0 | 113.9 | I465 L467 R471 P615 T616 K617 | I465-E469 WeakPolarHBondContact O-CG 3.39Å; I465-E469 PolarHBondContact O-N 2.84Å; I465-E469 VanDerWaalsContact O-N 3.15Å; L467-E469 VanDerWaalsContact C-N 3.26Å; L467-E469 PolarHBondContact O-N 2.88Å; E469-R471 VanDerWaalsContact C-N 3.27Å; E469-R471 WeakPolarHBondContact O-CG 3.45Å; E469-R471 PolarHBondContact O-N 3.31Å; E469-R471 VanDerWaalsContact O-N 3.09Å; E469-R471 IonicContact OE2-CZ 2.69Å; E469-R471 IonicContact OE2-NE 3.87Å; E469-R471 PolarHBondContact OE2-NE 3.37Å; E469-R471 IonicContact OE2-NH2 3.71Å; E469-R471 PolarHBondContact OE2-NH2 2.99Å; E469-P615 VanDerWaalsContact CD-CA 3.43Å; E469-P615 HydrophobicContact CG-CB 3.75Å; E469-P615 HydrophobicContact CG-CG 4.32Å; E469-P615 WeakPolarHBondContact OE1-CA 2.89Å; E469-P615 WeakPolarHBondContact OE1-CB 3.25Å; E469-T616 PolarHBondContact OE1-N 3.39Å; E469-T616 PolarHBondContact OE2-N 2.91Å; E469-T616 PolarHBondContact OE2-OG1 3.14Å; E469-K617 VanDerWaalsContact OE1-CB 3.3Å; E469-K617 WeakPolarHBondContact OE1-CB 3.38Å; E469-K617 WeakPolarHBondContact OE1-CG 3.43Å; E469-K617 PolarHBondContact OE1-N 2.91Å |
| 470 | N | 89.3 | Confident | 89.3 | Confident | 115 Ų | 115 | 26.2 Ų | 26.2 | 62% | 0.615 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 42.6 | 177.3 | -162.2 | 22.8 | 0 | 0 | 0 | 116 | L467 D468 | L467-N470 WeakPolarHBondContact O-CA 3.49Å; L467-N470 PolarHBondContact O-N 3.26Å; D468-N470 PolarHBondContact O-N 2.95Å |
| 471 | R | 91.3 | Very high | 88.6 | Confident | 85 Ų | 85 | 28.1 Ų | 28.1 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | trans | -131.2 | 131.6 | 179 | -70.4 | 175.9 | -55.8 | 126.6 | 10.2 | 110.4 | E469 C474 T492 S613 P614 T616 | E469-R471 VanDerWaalsContact C-N 3.27Å; E469-R471 WeakPolarHBondContact O-CG 3.45Å; E469-R471 PolarHBondContact O-N 3.31Å; E469-R471 VanDerWaalsContact O-N 3.09Å; E469-R471 IonicContact OE2-CZ 2.69Å; E469-R471 IonicContact OE2-NE 3.87Å; E469-R471 PolarHBondContact OE2-NE 3.37Å; E469-R471 IonicContact OE2-NH2 3.71Å; E469-R471 PolarHBondContact OE2-NH2 2.99Å; R471-C474 HydrophobicContact CB-CB 4.31Å; R471-C474 WeakPolarHBondContact O-CB 3.49Å; R471-C474 PolarHBondContact O-N 3.13Å; R471-T492 PolarHBondContact O-OG1 2.85Å; R471-S613 PolarHBondContact NH1-OG 2.79Å; R471-P614 PolarHBondContact NH2-O 2.86Å; R471-T616 PolarHBondContact NH2-OG1 3.45Å | ||
| 472 | E | 93.4 | Very high | 87.9 | Confident | 44 Ų | 44 | 28.4 Ų | 28.4 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 135.1 | 174.8 | 174.3 | -171.4 | -123.1 | 0 | 0 | 111.5 | K494 L502 V609 R612 | E472-K494 WeakPolarHBondContact OE1-CD 3.46Å; E472-K494 WeakPolarHBondContact OE1-CE 3.49Å; E472-K494 WeakPolarHBondContact OE1-CG 3.44Å; E472-K494 IonicContact OE1-NZ 2.75Å; E472-K494 PolarHBondContact OE1-NZ 3.09Å; E472-K494 IonicContact OE2-NZ 2.89Å; E472-K494 PolarHBondContact OE2-NZ 2.6Å; E472-L502 HydrophobicContact CB-CD2 4.22Å; E472-V609 HydrophobicContact CG-CG2 4.42Å; E472-R612 VanDerWaalsContact CD-NH2 3.35Å; E472-R612 WeakPolarHBondContact O-CD 3.34Å; E472-R612 PolarHBondContact O-NH1 3.19Å; E472-R612 VanDerWaalsContact O-NH1 3.1Å; E472-R612 IonicContact OE2-CZ 3.76Å; E472-R612 IonicContact OE2-NH1 2.7Å; E472-R612 PolarHBondContact OE2-NH1 3.4Å; E472-R612 IonicContact OE2-NH2 2.94Å; E472-R612 PolarHBondContact OE2-NH2 3.19Å |
| 473 | G | 93 | Very high | 87 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 14.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T492 R612 S613 | G473-T492 WeakPolarHBondContact CA-O 3.4Å; G473-T492 PolarHBondContact N-O 2.86Å; G473-T492 PolarHBondContact N-OG1 2.81Å; G473-T492 VanDerWaalsContact N-OG1 3.08Å; G473-R612 WeakPolarHBondContact O-CB 3.46Å; G473-R612 PolarHBondContact O-N 3.47Å; G473-S613 PolarHBondContact O-N 3.32Å |
| 474 | C | 94.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 133.4 | 166.4 | -168.2 | 0 | 0 | 0 | 0 | 108.6 | L466 R471 V491 T492 S613 | L466-C474 HydrophobicContact CD2-CB 4.29Å; R471-C474 HydrophobicContact CB-CB 4.31Å; R471-C474 WeakPolarHBondContact O-CB 3.49Å; R471-C474 PolarHBondContact O-N 3.13Å; C474-V491 CarbonylContact O-C 3.5Å; C474-V491 WeakPolarHBondContact O-CA 3.34Å; C474-T492 HydrophobicContact CB-CG2 4.31Å; C474-T492 PolarHBondContact N-OG1 3.11Å; C474-T492 PolarHBondContact O-N 2.77Å; C474-T492 PolarHBondContact O-OG1 2.88Å; C474-S613 CarbonylContact C-O 3.52Å; C474-S613 VanDerWaalsContact CA-O 3.28Å; C474-S613 WeakPolarHBondContact CA-O 3.32Å |
| 475 | F | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 151.6 | -171.7 | 77.3 | -84.1 | 0 | 0 | 0 | 113.9 | W452 L489 S490 V491 I597 L611 S613 P614 P615 | W452-F475 HydrophobicContact CB-CD2 4.14Å; W452-F475 HydrophobicContact CB-CE2 3.47Å; W452-F475 VanDerWaalsContact CB-CE2 3.47Å; W452-F475 HydrophobicContact CB-CZ 3.97Å; W452-F475 HydrophobicContact CD2-CE2 4.44Å; W452-F475 AromaticContact CG-CE2 3.77Å; W452-F475 HydrophobicContact CG-CE2 3.77Å; W452-F475 HydrophobicContact CG-CZ 4.2Å; F475-L489 HydrophobicContact CB-CD1 4.19Å; F475-L489 HydrophobicContact CD2-CD1 3.87Å; F475-L489 HydrophobicContact CG-CD1 4.44Å; F475-S490 CarbonylContact C-O 3.54Å; F475-S490 WeakPolarHBondContact CA-O 3.3Å; F475-V491 HydrophobicContact CB-CB 3.97Å; F475-V491 HydrophobicContact CB-CG2 4Å; F475-I597 HydrophobicContact CD2-CD1 4.2Å; F475-I597 HydrophobicContact CE2-CD1 3.91Å; F475-I597 HydrophobicContact CE2-CG1 4.4Å; F475-I597 HydrophobicContact CE2-CG2 3.54Å; F475-I597 HydrophobicContact CZ-CG2 3.62Å; F475-L611 HydrophobicContact CB-CD2 3.83Å; F475-L611 HydrophobicContact CD1-CB 3.75Å; F475-L611 HydrophobicContact CD1-CD2 4.31Å; F475-L611 HydrophobicContact CD1-CG 4.41Å; F475-L611 HydrophobicContact CD2-CD1 4.03Å; F475-L611 HydrophobicContact CD2-CD2 4.44Å; F475-L611 HydrophobicContact CE1-CB 3.91Å; F475-L611 HydrophobicContact CE2-CD1 4.17Å; F475-L611 HydrophobicContact CG-CB 4.18Å; F475-L611 HydrophobicContact CG-CD1 4.23Å; F475-L611 HydrophobicContact CG-CD2 3.94Å; F475-L611 HydrophobicContact CG-CG 4.33Å; F475-L611 HydrophobicContact CZ-CB 4.46Å; F475-L611 HydrophobicContact CZ-CD1 4.47Å; F475-S613 VanDerWaalsContact CD1-O 3.24Å; F475-S613 WeakPolarHBondContact CD1-O 3.36Å; F475-S613 VanDerWaalsContact CE1-C 3.45Å; F475-S613 PolarHBondContact N-O 2.88Å; F475-P614 WeakPolarHBondContact O-CA 3.32Å; F475-P615 WeakPolarHBondContact O-CD 3.46Å |
| 476 | L | 92.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.7 | 169 | 67.3 | 79.6 | 0 | 0 | 0 | 111.5 | W452 Y454 I457 A462 I465 L466 R478 S490 | W452-L476 CarbonylContact O-C 3.6Å; W452-L476 WeakPolarHBondContact O-CA 3.41Å; W452-L476 VanDerWaalsContact O-CB 3.26Å; W452-L476 WeakPolarHBondContact O-CB 3.42Å; Y454-L476 HydrophobicContact CD2-CB 3.76Å; Y454-L476 HydrophobicContact CD2-CD2 3.96Å; Y454-L476 HydrophobicContact CD2-CG 4.33Å; Y454-L476 HydrophobicContact CE2-CB 4.08Å; Y454-L476 HydrophobicContact CE2-CD2 4.22Å; Y454-L476 HydrophobicContact CG-CD2 4.25Å; I457-L476 HydrophobicContact CD1-CD1 4.08Å; I457-L476 HydrophobicContact CD1-CD2 4.2Å; A462-L476 HydrophobicContact CB-CD1 3.95Å; A462-L476 HydrophobicContact CB-CD2 4.24Å; I465-L476 HydrophobicContact CB-CD2 4.46Å; I465-L476 HydrophobicContact CG2-CD2 4.17Å; L466-L476 HydrophobicContact CD1-CD2 4.36Å; L466-L476 HydrophobicContact CD1-CG 4.15Å; L466-L476 HydrophobicContact CD2-CD2 4.18Å; L466-L476 HydrophobicContact CD2-CG 4.29Å; L466-L476 HydrophobicContact CG-CD2 3.96Å; L466-L476 HydrophobicContact CG-CG 4.23Å; L476-R478 HydrophobicContact CD1-CB 4.16Å; L476-R478 HydrophobicContact CD1-CG 4.4Å; L476-S490 PolarHBondContact N-O 3.36Å; L476-S490 PolarHBondContact O-N 3.41Å |
| 477 | V | 90.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.1 | 167.3 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | W452 Y453 Y454 T488 L489 I509 I593 I597 | W452-V477 HydrophobicContact CE3-CB 3.71Å; W452-V477 HydrophobicContact CE3-CG2 3.48Å; W452-V477 VanDerWaalsContact CE3-CG2 3.48Å; W452-V477 HydrophobicContact CZ3-CB 3.8Å; W452-V477 HydrophobicContact CZ3-CG1 4.39Å; W452-V477 HydrophobicContact CZ3-CG2 3.63Å; W452-V477 PolarHBondContact O-N 3.49Å; Y453-V477 CarbonylContact C-O 3.57Å; Y453-V477 WeakPolarHBondContact CA-O 3.39Å; Y453-V477 HydrophobicContact CD2-CB 4.18Å; Y453-V477 HydrophobicContact CD2-CG1 4.01Å; Y453-V477 HydrophobicContact CE2-CG1 4.29Å; Y454-V477 PolarHBondContact N-O 3.28Å; V477-T488 WeakPolarHBondContact CA-O 3.3Å; V477-L489 HydrophobicContact CG2-CD1 4.2Å; V477-I509 HydrophobicContact CG1-CD1 4.03Å; V477-I509 HydrophobicContact CG2-CD1 4.15Å; V477-I593 HydrophobicContact CG1-CG2 4.46Å; V477-I593 HydrophobicContact CG2-CG2 4.45Å; V477-I597 HydrophobicContact CG2-CD1 3.78Å; V477-I597 HydrophobicContact CG2-CG1 4.24Å |
| 478 | R | 87.2 | Confident | 84.1 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 163.2 | 174.6 | 59.9 | 175.3 | 173.4 | 92 | -6.8 | 111 | Y454 I457 L476 Y487 T488 H506 D899 | Y454-R478 WeakPolarHBondContact O-CA 3.41Å; I457-R478 HydrophobicContact CD1-CB 4.39Å; I457-R478 HydrophobicContact CG1-CB 3.84Å; L476-R478 HydrophobicContact CD1-CB 4.16Å; L476-R478 HydrophobicContact CD1-CG 4.4Å; R478-Y487 CarbonylContact O-C 3.59Å; R478-Y487 WeakPolarHBondContact O-CA 3.44Å; R478-T488 WeakPolarHBondContact CG-O 3.45Å; R478-T488 PolarHBondContact N-O 3.4Å; R478-T488 PolarHBondContact O-N 3.06Å; R478-H506 PolarHBondContact NH2-CE1 3.27Å; R478-H506 PolarHBondContact NH2-ND1 3.11Å; R478-D899 IonicContact CZ-OD1 2.72Å; R478-D899 IonicContact NH1-OD1 3.41Å; R478-D899 IonicContact NH2-OD1 2.62Å; R478-D899 PolarHBondContact NH2-OD1 3.1Å |
| 479 | D | 80.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 22% | 0.219 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 141.7 | 165 | -66.7 | -76.4 | 0 | 0 | 0 | 110.8 | Y453 K455 V481 Y487 | Y453-D479 PolarHBondContact OH-OD1 2.91Å; Y453-D479 PolarHBondContact OH-OD2 3.18Å; K455-D479 WeakPolarHBondContact CG-OD2 3.34Å; D479-V481 PolarHBondContact O-N 3.28Å; D479-Y487 WeakPolarHBondContact OD1-CE1 3.12Å |
| 480 | S | 79 | Confident | 84.5 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | trans | -88.3 | 94.7 | -179.2 | -152.9 | 0 | 0 | 0 | 0 | 110.7 | S482 K483 T486 T488 H508 | S480-S482 PolarHBondContact O-N 2.97Å; S480-S482 VanDerWaalsContact O-N 3.08Å; S480-K483 CarbonylContact O-C 3.56Å; S480-K483 VanDerWaalsContact O-C 3.27Å; S480-K483 PolarHBondContact O-N 3.18Å; S480-K483 VanDerWaalsContact O-O 3.11Å; S480-T486 WeakPolarHBondContact CB-O 3.35Å; S480-T486 VanDerWaalsContact CB-OG1 3.31Å; S480-T486 WeakPolarHBondContact CB-OG1 3.45Å; S480-T486 PolarHBondContact N-O 2.94Å; S480-T488 PolarHBondContact OG-OG1 3.33Å; S480-H508 PolarHBondContact OG-CE1 3.48Å; S480-H508 VanDerWaalsContact OG-CE1 3.24Å; S480-H508 PolarHBondContact OG-ND1 3.37Å | ||
| 481 | V | 72.5 | Confident | 84.8 | Confident | 44 Ų | 44 | 27.9 Ų | 27.9 | 27% | 0.267 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.5 | -178.7 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | D479 C891 Q892 | D479-V481 PolarHBondContact O-N 3.28Å; V481-C891 HydrophobicContact CG1-CB 4.48Å; V481-Q892 WeakPolarHBondContact O-CA 3.36Å |
| 482 | S | 72 | Confident | 84.9 | Confident | 26 Ų | 26 | 23.9 Ų | 23.9 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15 | 178.1 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | S480 D899 | S480-S482 PolarHBondContact O-N 2.97Å; S480-S482 VanDerWaalsContact O-N 3.08Å; S482-D899 VanDerWaalsContact CB-OD2 3.28Å; S482-D899 WeakPolarHBondContact CB-OD2 2.99Å; S482-D899 PolarHBondContact OG-OD2 2.83Å |
| 483 | K | 70.9 | Confident | 85 | Confident | 85 Ų | 85 | 22.1 Ų | 22.1 | 37% | 0.37 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -145.6 | 94.6 | -173 | -72.4 | 178.3 | -177.1 | 161.6 | 0 | 111.3 | S480 T486 H508 | S480-K483 CarbonylContact O-C 3.56Å; S480-K483 VanDerWaalsContact O-C 3.27Å; S480-K483 PolarHBondContact O-N 3.18Å; S480-K483 VanDerWaalsContact O-O 3.11Å; K483-T486 HydrophobicContact CB-CG2 4.35Å; K483-T486 WeakPolarHBondContact CB-OG1 3.23Å; K483-T486 PolarHBondContact O-N 3.09Å; K483-T486 VanDerWaalsContact O-N 3.12Å; K483-T486 PolarHBondContact O-OG1 3.31Å; K483-H508 PolarHBondContact NZ-CD2 3.32Å; K483-H508 PolarHBondContact NZ-NE2 3.3Å |
| 484 | K | 67.1 | Low | 85 | Confident | 125 Ų | 125 | 28 Ų | 28 | 54% | 0.543 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 138.9 | 178.9 | -161.4 | 164.1 | -166.7 | 161.5 | 0 | 112.3 | T486 D888 | K484-T486 PolarHBondContact O-N 3.04Å; K484-D888 IonicContact NZ-OD1 2.89Å; K484-D888 PolarHBondContact NZ-OD1 2.86Å; K484-D888 IonicContact NZ-OD2 3.83Å; K484-D888 PolarHBondContact NZ-OD2 3.43Å |
| 485 | N | 66.7 | Low | 84.7 | Confident | 85 Ų | 85 | 29 Ų | 29 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 15.1 | -177.3 | -55 | -13.2 | 0 | 0 | 0 | 116.1 | Y443 | Y443-N485 HydrophobicContact CE1-CB 4.43Š|
| 486 | T | 77.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | trans | -118.8 | 164.4 | 169.5 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | S480 K483 K484 | S480-T486 WeakPolarHBondContact CB-O 3.35Å; S480-T486 VanDerWaalsContact CB-OG1 3.31Å; S480-T486 WeakPolarHBondContact CB-OG1 3.45Å; S480-T486 PolarHBondContact N-O 2.94Å; K483-T486 HydrophobicContact CB-CG2 4.35Å; K483-T486 WeakPolarHBondContact CB-OG1 3.23Å; K483-T486 PolarHBondContact O-N 3.09Å; K483-T486 VanDerWaalsContact O-N 3.12Å; K483-T486 PolarHBondContact O-OG1 3.31Å; K484-T486 PolarHBondContact O-N 3.04Å | ||
| 487 | Y | 86.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 40 Ų | 40 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 164.1 | -175.3 | -54.2 | -82.4 | 0 | 0 | 0 | 111 | L446 Y453 R478 D479 H508 I509 Y582 I593 | L446-Y487 HydrophobicContact CD1-CE1 3.79Å; L446-Y487 HydrophobicContact CD1-CE2 4.37Å; Y453-Y487 AromaticContact CE2-CD1 3.75Å; Y453-Y487 HydrophobicContact CE2-CD1 3.75Å; Y453-Y487 AromaticContact CE2-CE1 3.84Å; Y453-Y487 HydrophobicContact CE2-CE1 3.84Å; Y453-Y487 VanDerWaalsContact OH-CE1 3.27Å; Y453-Y487 WeakPolarHBondContact OH-CE1 3.43Å; R478-Y487 CarbonylContact O-C 3.59Å; R478-Y487 WeakPolarHBondContact O-CA 3.44Å; D479-Y487 WeakPolarHBondContact OD1-CE1 3.12Å; Y487-H508 CarbonylContact O-C 3.56Å; Y487-H508 WeakPolarHBondContact O-CA 3.47Å; Y487-I509 PolarHBondContact N-O 3.07Å; Y487-I509 PolarHBondContact O-N 2.68Å; Y487-Y582 HydrophobicContact CD2-CE1 4.4Å; Y487-Y582 HydrophobicContact CE2-CE1 4.02Å; Y487-I593 HydrophobicContact CD1-CD1 4.38Å; Y487-I593 HydrophobicContact CD2-CD1 3.37Å; Y487-I593 HydrophobicContact CD2-CG1 4.45Å; Y487-I593 HydrophobicContact CE1-CD1 4.5Å; Y487-I593 HydrophobicContact CE2-CD1 3.52Å; Y487-I593 HydrophobicContact CG-CD1 3.83Å |
| 488 | T | 89.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.1 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | V477 R478 S480 H506 Y507 H508 | V477-T488 WeakPolarHBondContact CA-O 3.3Å; R478-T488 WeakPolarHBondContact CG-O 3.45Å; R478-T488 PolarHBondContact N-O 3.4Å; R478-T488 PolarHBondContact O-N 3.06Å; S480-T488 PolarHBondContact OG-OG1 3.33Å; T488-H506 HydrophobicContact CG2-CB 3.92Å; T488-H506 WeakPolarHBondContact CG2-CE1 3.27Å; T488-Y507 CarbonylContact C-O 3.27Å; T488-Y507 WeakPolarHBondContact CA-O 3.33Å; T488-H508 PolarHBondContact OG1-ND1 2.8Å |
| 489 | L | 92.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.9 | 165.9 | 172 | 60.4 | 0 | 0 | 0 | 108.6 | F475 V477 H506 Y507 I509 L584 I597 L607 L611 | F475-L489 HydrophobicContact CB-CD1 4.19Å; F475-L489 HydrophobicContact CD2-CD1 3.87Å; F475-L489 HydrophobicContact CG-CD1 4.44Å; V477-L489 HydrophobicContact CG2-CD1 4.2Å; L489-H506 CarbonylContact O-C 3.53Å; L489-H506 WeakPolarHBondContact O-CA 3.35Å; L489-Y507 PolarHBondContact N-O 3.14Å; L489-Y507 PolarHBondContact O-N 3.16Å; L489-I509 HydrophobicContact CB-CD1 4.24Å; L489-I509 HydrophobicContact CB-CG1 4.25Å; L489-L584 HydrophobicContact CB-CD2 4.46Å; L489-L584 HydrophobicContact CD2-CD1 3.71Å; L489-L584 HydrophobicContact CD2-CD2 4.38Å; L489-I597 HydrophobicContact CD1-CD1 3.91Å; L489-I597 HydrophobicContact CD2-CD1 4.5Å; L489-L607 HydrophobicContact CD2-CD1 3.88Å; L489-L607 HydrophobicContact CD2-CD2 4.35Å; L489-L611 HydrophobicContact CD1-CD1 4.27Å; L489-L611 HydrophobicContact CD1-CD2 4.26Å; L489-L611 HydrophobicContact CD2-CD1 4.22Å; L489-L611 HydrophobicContact CD2-CD2 4.3Å |
| 490 | S | 93.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.9 | 176.2 | -47.7 | 0 | 0 | 0 | 0 | 108 | L466 F475 L476 H505 H506 | L466-S490 WeakPolarHBondContact CD1-O 3.47Å; F475-S490 CarbonylContact C-O 3.54Å; F475-S490 WeakPolarHBondContact CA-O 3.3Å; L476-S490 PolarHBondContact N-O 3.36Å; L476-S490 PolarHBondContact O-N 3.41Å; S490-H505 CarbonylContact C-O 3.55Å; S490-H505 WeakPolarHBondContact CA-O 3.39Å; S490-H506 VanDerWaalsContact CA-CE1 3.47Å; S490-H506 WeakPolarHBondContact CA-CE1 3.4Å; S490-H506 WeakPolarHBondContact CB-CE1 3.42Å; S490-H506 WeakPolarHBondContact CB-ND1 3.47Å; S490-H506 VanDerWaalsContact CB-NE2 3.34Å; S490-H506 WeakPolarHBondContact CB-NE2 3.48Å; S490-H506 PolarHBondContact OG-CE1 3.33Å; S490-H506 PolarHBondContact OG-ND1 3.14Å; S490-H506 PolarHBondContact OG-NE2 3.02Å; S490-H506 VanDerWaalsContact OG-NE2 3.11Å |
| 491 | V | 95.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 142.4 | -174.7 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | C474 F475 V504 H505 Y507 V609 L611 | C474-V491 CarbonylContact O-C 3.5Å; C474-V491 WeakPolarHBondContact O-CA 3.34Å; F475-V491 HydrophobicContact CB-CB 3.97Å; F475-V491 HydrophobicContact CB-CG2 4Å; V491-V504 WeakPolarHBondContact O-CA 3.47Å; V491-H505 HydrophobicContact CG1-CB 4.32Å; V491-H505 PolarHBondContact N-O 3.2Å; V491-H505 PolarHBondContact O-N 2.99Å; V491-Y507 HydrophobicContact CG1-CD2 4.25Å; V491-Y507 HydrophobicContact CG1-CE2 3.76Å; V491-V609 HydrophobicContact CG2-CG1 3.76Å; V491-L611 HydrophobicContact CB-CD2 4.1Å; V491-L611 HydrophobicContact CG2-CD2 3.79Å |
| 492 | T | 95 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.5 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | L466 R471 G473 C474 L502 K503 V504 V609 | L466-T492 HydrophobicContact CB-CG2 3.79Å; L466-T492 WeakPolarHBondContact O-CG2 3.26Å; R471-T492 PolarHBondContact O-OG1 2.85Å; G473-T492 WeakPolarHBondContact CA-O 3.4Å; G473-T492 PolarHBondContact N-O 2.86Å; G473-T492 PolarHBondContact N-OG1 2.81Å; G473-T492 VanDerWaalsContact N-OG1 3.08Å; C474-T492 HydrophobicContact CB-CG2 4.31Å; C474-T492 PolarHBondContact N-OG1 3.11Å; C474-T492 PolarHBondContact O-N 2.77Å; C474-T492 PolarHBondContact O-OG1 2.88Å; T492-L502 HydrophobicContact CG2-CD1 4.4Å; T492-K503 WeakPolarHBondContact CA-O 3.46Å; T492-V504 HydrophobicContact CG2-CG2 4.39Å; T492-V609 WeakPolarHBondContact O-CG1 3.15Å |
| 493 | S | 94.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 168.2 | 160.2 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | L502 K503 H505 | S493-L502 CarbonylContact O-C 3.56Å; S493-L502 WeakPolarHBondContact O-CA 3.49Å; S493-L502 WeakPolarHBondContact O-CD2 3.33Å; S493-K503 PolarHBondContact N-O 3.23Å; S493-K503 PolarHBondContact O-N 3.19Å; S493-H505 PolarHBondContact OG-CD2 3.4Å; S493-H505 VanDerWaalsContact OG-CD2 3.29Å; S493-H505 PolarHBondContact OG-NE2 3.44Å |
| 494 | K | 93 | Very high | 87.2 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 145 | 164.2 | -68.8 | 175.8 | -171.2 | 107.3 | 0 | 109.9 | E472 L502 | E472-K494 WeakPolarHBondContact OE1-CD 3.46Å; E472-K494 WeakPolarHBondContact OE1-CE 3.49Å; E472-K494 WeakPolarHBondContact OE1-CG 3.44Å; E472-K494 IonicContact OE1-NZ 2.75Å; E472-K494 PolarHBondContact OE1-NZ 3.09Å; E472-K494 IonicContact OE2-NZ 2.89Å; E472-K494 PolarHBondContact OE2-NZ 2.6Å; K494-L502 HydrophobicContact CG-CD2 4.27Å |
| 495 | D | 88.8 | Confident | 88.4 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | trans | -83.3 | 120.9 | 172.2 | -167.7 | -24.7 | 0 | 0 | 0 | 109.7 | E497 A498 K501 K503 | D495-E497 VanDerWaalsContact C-N 3.34Å; D495-E497 WeakPolarHBondContact OD1-CB 3.5Å; D495-E497 PolarHBondContact OD1-N 3.27Å; D495-A498 HydrophobicContact CB-CB 4.26Å; D495-A498 PolarHBondContact OD1-N 3.14Å; D495-K501 HydrophobicContact CB-CB 4.2Å; D495-K501 PolarHBondContact N-O 2.65Å; D495-K503 HydrophobicContact CB-CB 4.19Å | ||
| 496 | P | 85.9 | Confident | 89.5 | Confident | 115 Ų | 115 | 41.7 Ų | 41.7 | 75% | 0.747 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -74.4 | -22.2 | 176.1 | 31.5 | -35.5 | 0 | 0 | 0 | 113.3 | ||
| 497 | E | 87.2 | Confident | 90.1 | Very high | 117 Ų | 117 | 40.7 Ų | 40.7 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86.5 | -25.4 | 178.9 | -63.8 | 172.2 | -154.7 | 0 | 0 | 111.3 | D495 T553 | D495-E497 VanDerWaalsContact C-N 3.34Å; D495-E497 WeakPolarHBondContact OD1-CB 3.5Å; D495-E497 PolarHBondContact OD1-N 3.27Å; E497-T553 PolarHBondContact OE1-OG1 3.23Å |
| 498 | A | 87.1 | Confident | 90.2 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -130 | 85.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D495 G500 K501 | D495-A498 HydrophobicContact CB-CB 4.26Å; D495-A498 PolarHBondContact OD1-N 3.14Å; A498-G500 PolarHBondContact O-N 3.27Å; A498-K501 HydrophobicContact CB-CB 4.14Å; A498-K501 HydrophobicContact CB-CD 3.74Å; A498-K501 HydrophobicContact CB-CG 4.02Å; A498-K501 WeakPolarHBondContact O-CB 3.49Å; A498-K501 PolarHBondContact O-N 3.48Å |
| 499 | P | 84.5 | Confident | 90.2 | Very high | 121 Ų | 121 | 41.6 Ų | 41.6 | 79% | 0.786 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 129.9 | -179.7 | -29.5 | 36 | 0 | 0 | 0 | 113.6 | K501 | P499-K501 VanDerWaalsContact C-N 3.34Š|
| 500 | G | 84.3 | Confident | 89.8 | Confident | 82 Ų | 82 | 45 Ų | 45 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -9.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A498 | A498-G500 PolarHBondContact O-N 3.27Š|
| 501 | K | 89.7 | Confident | 89.2 | Confident | 136 Ų | 136 | 48.2 Ų | 48.2 | 59% | 0.591 | 27% | 0.267 | S | S | * | . | trans | -90.6 | 163.1 | 169 | -59.8 | -168.2 | -172.2 | 173.6 | 0 | 112 | D495 A498 P499 | D495-K501 HydrophobicContact CB-CB 4.2Å; D495-K501 PolarHBondContact N-O 2.65Å; A498-K501 HydrophobicContact CB-CB 4.14Å; A498-K501 HydrophobicContact CB-CD 3.74Å; A498-K501 HydrophobicContact CB-CG 4.02Å; A498-K501 WeakPolarHBondContact O-CB 3.49Å; A498-K501 PolarHBondContact O-N 3.48Å; P499-K501 VanDerWaalsContact C-N 3.34Å | ||
| 502 | L | 91.4 | Very high | 88.4 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.3 | 168.4 | -60.1 | 179.2 | 0 | 0 | 0 | 109.9 | L467 E472 T492 S493 K494 | L467-L502 HydrophobicContact CD2-CB 4.02Å; L467-L502 VanDerWaalsContact CD2-O 3.3Å; L467-L502 WeakPolarHBondContact CD2-O 3.2Å; E472-L502 HydrophobicContact CB-CD2 4.22Å; T492-L502 HydrophobicContact CG2-CD1 4.4Å; S493-L502 CarbonylContact O-C 3.56Å; S493-L502 WeakPolarHBondContact O-CA 3.49Å; S493-L502 WeakPolarHBondContact O-CD2 3.33Å; K494-L502 HydrophobicContact CG-CD2 4.27Å |
| 503 | K | 90.8 | Very high | 87 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.9 | 171.9 | -167.4 | 160.5 | -174.3 | 162.5 | 0 | 108.8 | T492 S493 D495 T552 N904 | T492-K503 WeakPolarHBondContact CA-O 3.46Å; S493-K503 PolarHBondContact N-O 3.23Å; S493-K503 PolarHBondContact O-N 3.19Å; D495-K503 HydrophobicContact CB-CB 4.19Å; K503-T552 WeakPolarHBondContact CE-OG1 3.46Å; K503-T552 PolarHBondContact NZ-O 3.24Å; K503-T552 VanDerWaalsContact NZ-O 3.07Å; K503-T552 PolarHBondContact NZ-OG1 3.11Å; K503-N904 PolarHBondContact NZ-OD1 3.43Å |
| 504 | V | 91.6 | Very high | 84.8 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.4 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | E463 L466 L467 V491 T492 | E463-V504 HydrophobicContact CB-CG2 4.45Å; E463-V504 HydrophobicContact CG-CB 4.03Å; E463-V504 HydrophobicContact CG-CG1 4.09Å; E463-V504 HydrophobicContact CG-CG2 4.34Å; L466-V504 HydrophobicContact CB-CG2 4.26Å; L466-V504 HydrophobicContact CD1-CG1 3.74Å; L467-V504 HydrophobicContact CD1-CG2 4.43Å; L467-V504 HydrophobicContact CD2-CG2 3.9Å; L467-V504 HydrophobicContact CG-CG2 3.86Å; V491-V504 WeakPolarHBondContact O-CA 3.47Å; T492-V504 HydrophobicContact CG2-CG2 4.39Å |
| 505 | H | 91.9 | Very high | 82.1 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.5 | 178.5 | -69.6 | -116.2 | 0 | 0 | 0 | 109.7 | S490 V491 S493 Y507 T551 V608 | S490-H505 CarbonylContact C-O 3.55Å; S490-H505 WeakPolarHBondContact CA-O 3.39Å; V491-H505 HydrophobicContact CG1-CB 4.32Å; V491-H505 PolarHBondContact N-O 3.2Å; V491-H505 PolarHBondContact O-N 2.99Å; S493-H505 PolarHBondContact OG-CD2 3.4Å; S493-H505 VanDerWaalsContact OG-CD2 3.29Å; S493-H505 PolarHBondContact OG-NE2 3.44Å; H505-Y507 HydrophobicContact CB-CD2 4.49Å; H505-Y507 HydrophobicContact CB-CE2 3.61Å; H505-T551 WeakPolarHBondContact CE1-CG2 3.47Å; H505-T551 WeakPolarHBondContact ND1-CG2 3.46Å; H505-V608 HydrophobicContact CB-CG1 4.05Å |
| 506 | H | 90.2 | Very high | 79.3 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 2% | 0.023 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.9 | -178.3 | -62.1 | -92.2 | 0 | 0 | 0 | 110.8 | R459 E463 R478 T488 L489 S490 | R459-H506 PolarHBondContact NE-CD2 2.99Å; R459-H506 PolarHBondContact NH2-CD2 3.18Å; E463-H506 IonicContact OE1-CD2 2.74Å; R478-H506 PolarHBondContact NH2-CE1 3.27Å; R478-H506 PolarHBondContact NH2-ND1 3.11Å; T488-H506 HydrophobicContact CG2-CB 3.92Å; T488-H506 WeakPolarHBondContact CG2-CE1 3.27Å; L489-H506 CarbonylContact O-C 3.53Å; L489-H506 WeakPolarHBondContact O-CA 3.35Å; S490-H506 VanDerWaalsContact CA-CE1 3.47Å; S490-H506 WeakPolarHBondContact CA-CE1 3.4Å; S490-H506 WeakPolarHBondContact CB-CE1 3.42Å; S490-H506 WeakPolarHBondContact CB-ND1 3.47Å; S490-H506 VanDerWaalsContact CB-NE2 3.34Å; S490-H506 WeakPolarHBondContact CB-NE2 3.48Å; S490-H506 PolarHBondContact OG-CE1 3.33Å; S490-H506 PolarHBondContact OG-ND1 3.14Å; S490-H506 PolarHBondContact OG-NE2 3.02Å; S490-H506 VanDerWaalsContact OG-NE2 3.11Å |
| 507 | Y | 90 | Very high | 76.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.5 | -177.1 | -56.6 | -99.6 | 0 | 0 | 0 | 109.3 | T488 L489 V491 H505 I547 V549 L584 L607 V608 | T488-Y507 CarbonylContact C-O 3.27Å; T488-Y507 WeakPolarHBondContact CA-O 3.33Å; L489-Y507 PolarHBondContact N-O 3.14Å; L489-Y507 PolarHBondContact O-N 3.16Å; V491-Y507 HydrophobicContact CG1-CD2 4.25Å; V491-Y507 HydrophobicContact CG1-CE2 3.76Å; H505-Y507 HydrophobicContact CB-CD2 4.49Å; H505-Y507 HydrophobicContact CB-CE2 3.61Å; Y507-I547 HydrophobicContact CD1-CG2 3.59Å; Y507-I547 HydrophobicContact CE1-CG2 3.79Å; Y507-V549 HydrophobicContact CE1-CG1 4.33Å; Y507-V549 HydrophobicContact CE1-CG2 3.75Å; Y507-L584 VanDerWaalsContact CB-CD2 3.48Å; Y507-L584 HydrophobicContact CG-CD2 4.47Å; Y507-L607 HydrophobicContact CD1-CD2 3.6Å; Y507-L607 HydrophobicContact CD2-CD2 3.83Å; Y507-L607 HydrophobicContact CE1-CD2 3.53Å; Y507-L607 HydrophobicContact CE2-CD2 3.79Å; Y507-L607 HydrophobicContact CG-CD2 3.75Å; Y507-V608 PolarHBondContact OH-N 3.19Å |
| 508 | H | 88 | Confident | 73.7 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.167 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.7 | 174.7 | -67.1 | -81.1 | 0 | 0 | 0 | 110.5 | S480 K483 Y487 T488 H510 | S480-H508 PolarHBondContact OG-CE1 3.48Å; S480-H508 VanDerWaalsContact OG-CE1 3.24Å; S480-H508 PolarHBondContact OG-ND1 3.37Å; K483-H508 PolarHBondContact NZ-CD2 3.32Å; K483-H508 PolarHBondContact NZ-NE2 3.3Å; Y487-H508 CarbonylContact O-C 3.56Å; Y487-H508 WeakPolarHBondContact O-CA 3.47Å; T488-H508 PolarHBondContact OG1-ND1 2.8Å; H508-H510 PolarHBondContact O-CD2 2.76Å |
| 509 | I | 88.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 106.9 | 165.5 | -49.5 | 179.4 | 0 | 0 | 0 | 106.3 | V477 Y487 L489 Y582 Y583 L584 I593 | V477-I509 HydrophobicContact CG1-CD1 4.03Å; V477-I509 HydrophobicContact CG2-CD1 4.15Å; Y487-I509 PolarHBondContact N-O 3.07Å; Y487-I509 PolarHBondContact O-N 2.68Å; L489-I509 HydrophobicContact CB-CD1 4.24Å; L489-I509 HydrophobicContact CB-CG1 4.25Å; I509-Y582 HydrophobicContact CG2-CD1 4.42Å; I509-Y583 CarbonylContact C-O 3.6Å; I509-Y583 WeakPolarHBondContact CA-O 3.48Å; I509-L584 HydrophobicContact CG1-CD2 3.94Å; I509-L584 HydrophobicContact CG1-CG 4.2Å; I509-I593 HydrophobicContact CD1-CG2 3.81Å |
| 510 | H | 85.6 | Confident | 68.4 | Low | 71 Ų | 71 | 70.7 Ų | 70.7 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 161.7 | 175 | -74.7 | -110.7 | 0 | 0 | 0 | 110.5 | H508 Y582 Y583 | H508-H510 PolarHBondContact O-CD2 2.76Å; H510-Y582 CarbonylContact O-C 3.42Å; H510-Y582 VanDerWaalsContact O-CA 3.27Å; H510-Y582 WeakPolarHBondContact O-CA 3.45Å; H510-Y583 HydrophobicContact CB-CD1 3.97Å; H510-Y583 HydrophobicContact CB-CD2 3.96Å; H510-Y583 HydrophobicContact CB-CE1 3.62Å; H510-Y583 HydrophobicContact CB-CE2 3.63Å; H510-Y583 HydrophobicContact CB-CG 4.15Å; H510-Y583 VanDerWaalsContact CB-CZ 3.49Å; H510-Y583 PolarHBondContact N-O 2.94Å; H510-Y583 PolarHBondContact O-N 3.14Å |
| 511 | R | 81.2 | Confident | 65.8 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.6 | 175.3 | 179.6 | -174.7 | 164.2 | 147 | 3.3 | 108.1 | H441 A580 Q581 Y582 | H441-R511 PolarHBondContact CE1-NH2 2.8Å; H441-R511 VanDerWaalsContact CE1-NH2 3.3Å; H441-R511 PolarHBondContact NE2-NH1 3.01Å; H441-R511 PolarHBondContact NE2-NH2 3.05Å; R511-A580 HydrophobicContact CG-CB 4.22Å; R511-A580 VanDerWaalsContact NH2-CB 3.32Å; R511-Q581 CarbonylContact C-O 3.56Å; R511-Q581 VanDerWaalsContact CA-O 3.29Å; R511-Q581 WeakPolarHBondContact CA-O 3.34Å; R511-Y582 HydrophobicContact CB-CD1 3.94Å; R511-Y582 HydrophobicContact CB-CE1 3.87Å; R511-Y582 HydrophobicContact CG-CD1 4.16Å; R511-Y582 HydrophobicContact CG-CE1 3.78Å; R511-Y582 PolarHBondContact NH1-OH 3.46Å |
| 512 | T | 77.2 | Confident | 63.1 | Low | 50 Ų | 50 | 75 Ų | 75 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | trans | -72 | 142.8 | 172.7 | 62 | 0 | 0 | 0 | 0 | 110.9 | A580 Q581 Y583 | T512-A580 VanDerWaalsContact O-CB 3.32Å; T512-A580 WeakPolarHBondContact O-CB 3.3Å; T512-Q581 HydrophobicContact CG2-CB 4.4Å; T512-Q581 PolarHBondContact N-O 2.93Å; T512-Q581 PolarHBondContact OG1-N 3.29Å; T512-Y583 HydrophobicContact CG2-CD1 4.18Å; T512-Y583 HydrophobicContact CG2-CE1 3.77Å | ||
| 513 | E | 65.8 | Low | 60.3 | Low | 188 Ų | 188 | 77 Ų | 77 | 88% | 0.879 | 44% | 0.444 | S | S | * | . | trans | -75.9 | 127.3 | 169.6 | -64 | -172.6 | 170.9 | 0 | 0 | 109.2 | S515 | E513-S515 PolarHBondContact O-N 3.4Š| ||
| 514 | S | 48.6 | Very low | 57.3 | Low | 66 Ų | 66 | 82.8 Ų | 82.8 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | trans | -70.7 | 109.4 | 174.5 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | S516 G578 | S514-S516 PolarHBondContact O-N 2.86Å; S514-G578 WeakPolarHBondContact CB-O 3.39Å | ||
| 515 | S | 35.3 | Very low | 54.5 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | -69.1 | 97.6 | -173 | 41.2 | 0 | 0 | 0 | 0 | 112.5 | E513 L517 | E513-S515 PolarHBondContact O-N 3.4Å; S515-L517 PolarHBondContact O-N 3.4Å | ||
| 516 | S | 29.8 | Very low | 51.6 | Low | 113 Ų | 113 | 92 Ų | 92 | 79% | 0.79 | 56% | 0.558 | S | S | * | * | trans | -68.3 | 97.6 | 170.9 | 37 | 0 | 0 | 0 | 0 | 110.9 | S514 N518 | S514-S516 PolarHBondContact O-N 2.86Å; S516-N518 PolarHBondContact O-N 2.99Å | ||
| 517 | L | 27.4 | Very low | 49 | Very low | 165 Ų | 165 | 95.3 Ų | 95.3 | 86% | 0.864 | 59% | 0.594 | S | S | * | * | trans | -62.2 | 89.7 | 175.7 | -94.9 | 163.7 | 0 | 0 | 0 | 112.3 | S515 | S515-L517 PolarHBondContact O-N 3.4Š| ||
| 518 | N | 29.6 | Very low | 46.2 | Very low | 99 Ų | 99 | 101.2 Ų | 101.2 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | trans | -116.5 | 98.2 | 162.2 | -96.1 | 8.5 | 0 | 0 | 0 | 109 | N305 S516 | N305-N518 PolarHBondContact OD1-ND2 3.11Å; S516-N518 PolarHBondContact O-N 2.99Å | ||
| 519 | G | 27.8 | Very low | 43.7 | Very low | 63 Ų | 63 | 103.3 Ų | 103.3 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -81.1 | 150.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 520 | H | 32.8 | Very low | 41.1 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -136.4 | 140.4 | 151.4 | -119.7 | 59.5 | 0 | 0 | 0 | 110.7 | N304 | N304-H520 PolarHBondContact ND2-CE1 3.1Š| ||
| 521 | L | 28.9 | Very low | 38.6 | Very low | 146 Ų | 146 | 110 Ų | 110 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -105.3 | 165 | -177.9 | -90 | 155.2 | 0 | 0 | 0 | 110.1 | ||||
| 522 | N | 31.8 | Very low | 36.3 | Very low | 161 Ų | 161 | 111.9 Ų | 111.9 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 72.4 | 150.2 | 171.7 | -42 | -43.3 | 0 | 0 | 0 | 114.7 | ||||
| 523 | G | 33.7 | Very low | 34.2 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | cis | -170.9 | 165.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 524 | C | 27.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 113.6 Ų | 113.6 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -49.6 | 142 | -170.4 | -54.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 525 | G | 32 | Very low | 31.9 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -165.1 | 104.9 | 166 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 526 | V | 32.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -98 | 129.9 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 527 | G | 34.3 | Very low | 31.4 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -157.3 | 111.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 528 | S | 31.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -87.7 | 134.5 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 529 | G | 34.5 | Very low | 31.6 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -162.5 | 113.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 530 | S | 34 | Very low | 31.5 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -91.7 | 132.7 | -174.6 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 531 | G | 33.6 | Very low | 31.2 | Very low | 83 Ų | 83 | 118.8 Ų | 118.8 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -163.2 | 110.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 532 | S | 33 | Very low | 31.1 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | trans | -111 | 139 | -166.2 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 533 | N | 33.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 115.4 Ų | 115.4 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -171.1 | 146.2 | 131.2 | -95.7 | -24.5 | 0 | 0 | 0 | 112 | ||||
| 534 | S | 35.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | 24.6 | 122.2 | 161.4 | 57.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 535 | G | 30.4 | Very low | 30.3 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | cis | 131.3 | 142.2 | 22.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 536 | L | 30.3 | Very low | 30.2 | Very low | 177 Ų | 177 | 114.9 Ų | 114.9 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | cis | -126.7 | 156.5 | 17.1 | -70 | 147 | 0 | 0 | 0 | 111.6 | ||||
| 537 | N | 25.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -100 | 141.6 | 169.1 | -78.9 | -26.9 | 0 | 0 | 0 | 111.1 | ||||
| 538 | S | 30.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -137 | 103.6 | 155 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 539 | T | 29.9 | Very low | 30.2 | Very low | 124 Ų | 124 | 107.8 Ų | 107.8 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -46.1 | 137.9 | -179.7 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | S541 | T539-S541 PolarHBondContact O-N 3.09Š| ||
| 540 | A | 25.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 106.4 Ų | 106.4 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -64.5 | 117.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 541 | S | 27.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 103.2 Ų | 103.2 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -115 | 144.3 | 166.3 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | T539 A543 | T539-S541 PolarHBondContact O-N 3.09Å; S541-A543 PolarHBondContact O-N 3.35Å; S541-A543 VanDerWaalsContact O-N 3.09Å | ||
| 542 | V | 25.1 | Very low | 30 | Very low | 161 Ų | 161 | 101 Ų | 101 | 98% | 0.976 | 66% | 0.663 | S | S | * | * | trans | -73.4 | 103.5 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 543 | A | 25.7 | Very low | 29.9 | Very low | 76 Ų | 76 | 99 Ų | 99 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | trans | -125.4 | 144.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | S541 T545 | S541-A543 PolarHBondContact O-N 3.35Å; S541-A543 VanDerWaalsContact O-N 3.09Å; A543-T545 PolarHBondContact O-N 2.78Å | ||
| 544 | A | 24.6 | Very low | 29.5 | Very low | 89 Ų | 89 | 100.2 Ų | 100.2 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | trans | -69.4 | 118.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S546 | A544-S546 PolarHBondContact O-N 3.28Š| ||
| 545 | T | 26.7 | Very low | 29.1 | Very low | 91 Ų | 91 | 99.4 Ų | 99.4 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | trans | -68.9 | 95.1 | 178.3 | -36.9 | 0 | 0 | 0 | 0 | 111.5 | A543 E586 | A543-T545 PolarHBondContact O-N 2.78Å; T545-E586 PolarHBondContact OG1-OE2 2.86Å | ||
| 546 | S | 28.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 103.5 Ų | 103.5 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | trans | -63.1 | 146.9 | 171.2 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | A544 T548 | A544-S546 PolarHBondContact O-N 3.28Å; S546-T548 PolarHBondContact O-N 2.8Å; S546-T548 VanDerWaalsContact O-N 3.1Å | ||
| 547 | I | 34.1 | Very low | 28.6 | Very low | 40 Ų | 40 | 99.9 Ų | 99.9 | 21% | 0.205 | 63% | 0.63 | C | S | . | * | trans | -58.1 | 117.8 | 172.8 | -64.8 | 172.2 | 0 | 0 | 0 | 108.3 | Y507 V549 G605 | Y507-I547 HydrophobicContact CD1-CG2 3.59Å; Y507-I547 HydrophobicContact CE1-CG2 3.79Å; I547-V549 HydrophobicContact CG2-CG2 4.23Å; I547-V549 PolarHBondContact O-N 2.71Å; I547-V549 VanDerWaalsContact O-N 3.11Å; I547-G605 WeakPolarHBondContact CD1-O 3.45Å | ||
| 548 | T | 32.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 98.1 Ų | 98.1 | 69% | 0.693 | 62% | 0.62 | S | S | * | * | trans | -79 | 98.2 | -178.2 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | S546 | S546-T548 PolarHBondContact O-N 2.8Å; S546-T548 VanDerWaalsContact O-N 3.1Å | ||
| 549 | V | 33.8 | Very low | 28.5 | Very low | 53 Ų | 53 | 100.5 Ų | 100.5 | 32% | 0.321 | 62% | 0.62 | S | S | . | * | trans | -89.3 | 112.5 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | Y507 I547 T551 | Y507-V549 HydrophobicContact CE1-CG1 4.33Å; Y507-V549 HydrophobicContact CE1-CG2 3.75Å; I547-V549 HydrophobicContact CG2-CG2 4.23Å; I547-V549 PolarHBondContact O-N 2.71Å; I547-V549 VanDerWaalsContact O-N 3.11Å; V549-T551 HydrophobicContact CG1-CG2 4.09Å; V549-T551 PolarHBondContact O-N 3.26Å; V549-T551 PolarHBondContact O-OG1 3.01Å | ||
| 550 | T | 33.5 | Very low | 28.3 | Very low | 49 Ų | 49 | 101.6 Ų | 101.6 | 30% | 0.301 | 62% | 0.621 | S | S | . | * | trans | -85 | 66 | 179.4 | -38.9 | 0 | 0 | 0 | 0 | 111.5 | D899 | T550-D899 VanDerWaalsContact CG2-O 3.24Å; T550-D899 WeakPolarHBondContact CG2-O 3.34Å | ||
| 551 | T | 33.5 | Very low | 28.5 | Very low | 63 Ų | 63 | 99.9 Ų | 99.9 | 39% | 0.387 | 62% | 0.615 | S | S | . | * | trans | -83.8 | 139 | 177.7 | 14 | 0 | 0 | 0 | 0 | 113.1 | H505 V549 T553 | H505-T551 WeakPolarHBondContact CE1-CG2 3.47Å; H505-T551 WeakPolarHBondContact ND1-CG2 3.46Å; V549-T551 HydrophobicContact CG1-CG2 4.09Å; V549-T551 PolarHBondContact O-N 3.26Å; V549-T551 PolarHBondContact O-OG1 3.01Å; T551-T553 VanDerWaalsContact C-N 3.35Å; T551-T553 PolarHBondContact O-N 3.02Å | ||
| 552 | T | 30.3 | Very low | 28.7 | Very low | 36 Ų | 36 | 101.1 Ų | 101.1 | 22% | 0.221 | 62% | 0.623 | C | S | . | * | S | Bend | trans | -79.2 | 74.7 | 173 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | K503 C902 N904 | K503-T552 WeakPolarHBondContact CE-OG1 3.46Å; K503-T552 PolarHBondContact NZ-O 3.24Å; K503-T552 VanDerWaalsContact NZ-O 3.07Å; K503-T552 PolarHBondContact NZ-OG1 3.11Å; T552-C902 HydrophobicContact CG2-CB 3.77Å; T552-C902 WeakPolarHBondContact CG2-O 3.46Å; T552-N904 WeakPolarHBondContact CB-OD1 3.09Å; T552-N904 PolarHBondContact O-OD1 3.01Å; T552-N904 PolarHBondContact OG1-OD1 2.65Å |
| 553 | T | 31.2 | Very low | 28.9 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -167.5 | 141.3 | 150.7 | 15 | 0 | 0 | 0 | 0 | 109.9 | E497 T551 T555 | E497-T553 PolarHBondContact OE1-OG1 3.23Å; T551-T553 VanDerWaalsContact C-N 3.35Å; T551-T553 PolarHBondContact O-N 3.02Å; T553-T555 VanDerWaalsContact C-N 3.32Å; T553-T555 PolarHBondContact O-N 2.9Å |
| 554 | N | 24.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 100.5 Ų | 100.5 | 95% | 0.952 | 63% | 0.627 | S | S | * | * | trans | -79 | 71.6 | -177.5 | -91.7 | -16.2 | 0 | 0 | 0 | 112.3 | ||||
| 555 | T | 26 | Very low | 29.4 | Very low | 103 Ų | 103 | 103.5 Ų | 103.5 | 63% | 0.632 | 64% | 0.636 | S | S | * | * | trans | -137.7 | 107.5 | 177.3 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | T553 V557 | T553-T555 VanDerWaalsContact C-N 3.32Å; T553-T555 PolarHBondContact O-N 2.9Å; T555-V557 HydrophobicContact CG2-CG2 3.98Å; T555-V557 PolarHBondContact O-N 3.25Å; T555-V557 VanDerWaalsContact O-N 3.09Å | ||
| 556 | I | 24.6 | Very low | 29.4 | Very low | 164 Ų | 164 | 102.4 Ų | 102.4 | 84% | 0.841 | 64% | 0.643 | S | S | * | * | trans | -78.2 | 92.3 | 172.4 | -57.6 | 177.1 | 0 | 0 | 0 | 108.5 | N558 | I556-N558 PolarHBondContact O-N 3.26Å; I556-N558 VanDerWaalsContact O-N 3.08Å | ||
| 557 | V | 26.5 | Very low | 29.5 | Very low | 100 Ų | 100 | 102.9 Ų | 102.9 | 61% | 0.606 | 65% | 0.647 | S | S | * | * | trans | -79.3 | 90.3 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | T555 M559 | T555-V557 HydrophobicContact CG2-CG2 3.98Å; T555-V557 PolarHBondContact O-N 3.25Å; T555-V557 VanDerWaalsContact O-N 3.09Å; V557-M559 HydrophobicContact CG1-CE 4Å; V557-M559 HydrophobicContact CG1-CG 4Å; V557-M559 PolarHBondContact O-N 3.07Å | ||
| 558 | N | 25.1 | Very low | 29.2 | Very low | 130 Ų | 130 | 109 Ų | 109 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -86.1 | 84.6 | -177.2 | -158.5 | 18.1 | 0 | 0 | 0 | 111.1 | I556 N560 | I556-N558 PolarHBondContact O-N 3.26Å; I556-N558 VanDerWaalsContact O-N 3.08Å; N558-N560 PolarHBondContact O-N 2.88Å; N558-N560 VanDerWaalsContact O-N 3.11Å | ||
| 559 | M | 28 | Very low | 28.9 | Very low | 170 Ų | 170 | 110 Ų | 110 | 84% | 0.837 | 69% | 0.686 | S | S | * | * | trans | -78.2 | 92.1 | -179.2 | -69 | -155.4 | -176.9 | 0 | 0 | 112.7 | V557 | V557-M559 HydrophobicContact CG1-CE 4Å; V557-M559 HydrophobicContact CG1-CG 4Å; V557-M559 PolarHBondContact O-N 3.07Å | ||
| 560 | N | 26.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 113.3 Ų | 113.3 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -109.7 | 119.5 | 166.2 | -84.1 | -26.1 | 0 | 0 | 0 | 110.6 | N558 | N558-N560 PolarHBondContact O-N 2.88Å; N558-N560 VanDerWaalsContact O-N 3.11Å | ||
| 561 | G | 29.8 | Very low | 28.3 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 156.7 | 136.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 562 | S | 31.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | cis | -147.7 | 170.7 | -4.5 | -76.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 563 | T | 29.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | -59.8 | 135.7 | -175.2 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 564 | G | 30.5 | Very low | 27.9 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -153.9 | 139.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 565 | T | 30.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -107.4 | 137.4 | -166.2 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 566 | G | 27.9 | Very low | 28.4 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 143 | 147.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 567 | S | 29.9 | Very low | 29 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 52.2 | 100.3 | 162.2 | 57.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 568 | N | 27.8 | Very low | 30 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | 33.9 | 104.9 | 131.1 | -57.5 | -7.5 | 0 | 0 | 0 | 119 | ||||
| 569 | T | 27.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -124 | 151.5 | 152.9 | 48 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 570 | P | 27.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 158 | -167.5 | -16.3 | 32.1 | 0 | 0 | 0 | 113.7 | V572 | P570-V572 PolarHBondContact O-N 3.48Š|
| 571 | K | 26.2 | Very low | 36.3 | Very low | 210 Ų | 210 | 112.4 Ų | 112.4 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.3 | 163.4 | -70.7 | -179.6 | 177.1 | 178.8 | 0 | 109 | G573 | K571-G573 PolarHBondContact O-N 3.29Š|
| 572 | V | 32.4 | Very low | 39 | Very low | 146 Ų | 146 | 110.3 Ų | 110.3 | 89% | 0.885 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123.8 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 108 | P570 | P570-V572 PolarHBondContact O-N 3.48Š|
| 573 | G | 29.6 | Very low | 41.6 | Very low | 54 Ų | 54 | 106.2 Ų | 106.2 | 56% | 0.557 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K571 T575 | K571-G573 PolarHBondContact O-N 3.29Å; G573-T575 VanDerWaalsContact C-N 3.31Å; G573-T575 PolarHBondContact O-N 3.45Å |
| 574 | S | 26 | Very low | 44.4 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | -70.4 | 89.1 | 162.9 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | I576 | S574-I576 PolarHBondContact O-N 3.09Š| ||
| 575 | T | 30.8 | Very low | 46.8 | Very low | 135 Ų | 135 | 97.1 Ų | 97.1 | 83% | 0.828 | 59% | 0.588 | S | S | * | * | trans | -60.5 | 127.3 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | G573 N577 | G573-T575 VanDerWaalsContact C-N 3.31Å; G573-T575 PolarHBondContact O-N 3.45Å; T575-N577 PolarHBondContact O-N 3.24Å; T575-N577 VanDerWaalsContact O-N 3.14Å | ||
| 576 | I | 30.1 | Very low | 49.1 | Very low | 151 Ų | 151 | 95.5 Ų | 95.5 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -81.8 | 95.2 | -174.7 | -56.7 | 163.7 | 0 | 0 | 0 | 108.2 | S574 | S574-I576 PolarHBondContact O-N 3.09Š|
| 577 | N | 36.3 | Very low | 51.6 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 170.4 | 139.6 | 149.9 | -85.4 | -17.2 | 0 | 0 | 0 | 109.6 | T575 E579 | T575-N577 PolarHBondContact O-N 3.24Å; T575-N577 VanDerWaalsContact O-N 3.14Å; N577-E579 HydrophobicContact CB-CG 4.46Å; N577-E579 PolarHBondContact O-N 3.01Å |
| 578 | G | 47.4 | Very low | 54.1 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 57% | 0.567 | 55% | 0.55 | S | S | * | * | trans | -77.8 | 35.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S514 | S514-G578 WeakPolarHBondContact CB-O 3.39Š| ||
| 579 | E | 60.7 | Low | 56.9 | Low | 129 Ų | 129 | 92.6 Ų | 92.6 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | trans | -87.4 | 143.8 | -172.7 | -64.5 | -176.5 | 172.8 | 0 | 0 | 112.8 | N577 | N577-E579 HydrophobicContact CB-CG 4.46Å; N577-E579 PolarHBondContact O-N 3.01Å | ||
| 580 | A | 70.7 | Confident | 59.6 | Low | 18 Ų | 18 | 87.9 Ų | 87.9 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | trans | -72.7 | 129.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | R511 T512 | R511-A580 HydrophobicContact CG-CB 4.22Å; R511-A580 VanDerWaalsContact NH2-CB 3.32Å; T512-A580 VanDerWaalsContact O-CB 3.32Å; T512-A580 WeakPolarHBondContact O-CB 3.3Å | ||
| 581 | Q | 81.9 | Confident | 62.1 | Low | 49 Ų | 49 | 85.7 Ų | 85.7 | 23% | 0.229 | 48% | 0.481 | C | S | . | . | trans | -110.8 | 147.6 | -178.1 | -56.7 | -68.5 | -53.5 | 0 | 0 | 110.7 | R511 T512 A589 F590 P591 | R511-Q581 CarbonylContact C-O 3.56Å; R511-Q581 VanDerWaalsContact CA-O 3.29Å; R511-Q581 WeakPolarHBondContact CA-O 3.34Å; T512-Q581 HydrophobicContact CG2-CB 4.4Å; T512-Q581 PolarHBondContact N-O 2.93Å; T512-Q581 PolarHBondContact OG1-N 3.29Å; Q581-A589 HydrophobicContact CB-CB 3.92Å; Q581-F590 CarbonylContact C-O 3.53Å; Q581-F590 WeakPolarHBondContact CA-O 3.2Å; Q581-F590 PolarHBondContact OE1-O 3.27Å; Q581-P591 VanDerWaalsContact OE1-N 3.11Å | ||
| 582 | Y | 85.1 | Confident | 64.7 | Low | 29 Ų | 29 | 78.4 Ų | 78.4 | 11% | 0.114 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.9 | 175.2 | -62.1 | -86.8 | 0 | 0 | 0 | 111.3 | Y487 I509 H510 R511 A589 F590 P591 I593 | Y487-Y582 HydrophobicContact CD2-CE1 4.4Å; Y487-Y582 HydrophobicContact CE2-CE1 4.02Å; I509-Y582 HydrophobicContact CG2-CD1 4.42Å; H510-Y582 CarbonylContact O-C 3.42Å; H510-Y582 VanDerWaalsContact O-CA 3.27Å; H510-Y582 WeakPolarHBondContact O-CA 3.45Å; R511-Y582 HydrophobicContact CB-CD1 3.94Å; R511-Y582 HydrophobicContact CB-CE1 3.87Å; R511-Y582 HydrophobicContact CG-CD1 4.16Å; R511-Y582 HydrophobicContact CG-CE1 3.78Å; R511-Y582 PolarHBondContact NH1-OH 3.46Å; Y582-A589 WeakPolarHBondContact O-CA 3.39Å; Y582-F590 PolarHBondContact N-O 3.24Å; Y582-F590 PolarHBondContact O-N 3.38Å; Y582-P591 WeakPolarHBondContact CD2-O 3.45Å; Y582-P591 WeakPolarHBondContact CE2-O 3.36Å; Y582-I593 HydrophobicContact CD1-CD1 4.31Å; Y582-I593 HydrophobicContact CD1-CG1 3.81Å; Y582-I593 HydrophobicContact CD2-CG1 4.33Å; Y582-I593 HydrophobicContact CE1-CD1 4.29Å; Y582-I593 HydrophobicContact CE1-CG1 4.17Å; Y582-I593 HydrophobicContact CG-CG1 3.9Å |
| 583 | Y | 87 | Confident | 67.1 | Low | 36 Ų | 36 | 71.7 Ų | 71.7 | 14% | 0.141 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148.8 | -176.8 | 64.9 | -85.7 | 0 | 0 | 0 | 114.1 | I509 H510 T512 E586 H588 | I509-Y583 CarbonylContact C-O 3.6Å; I509-Y583 WeakPolarHBondContact CA-O 3.48Å; H510-Y583 HydrophobicContact CB-CD1 3.97Å; H510-Y583 HydrophobicContact CB-CD2 3.96Å; H510-Y583 HydrophobicContact CB-CE1 3.62Å; H510-Y583 HydrophobicContact CB-CE2 3.63Å; H510-Y583 HydrophobicContact CB-CG 4.15Å; H510-Y583 VanDerWaalsContact CB-CZ 3.49Å; H510-Y583 PolarHBondContact N-O 2.94Å; H510-Y583 PolarHBondContact O-N 3.14Å; T512-Y583 HydrophobicContact CG2-CD1 4.18Å; T512-Y583 HydrophobicContact CG2-CE1 3.77Å; Y583-E586 HydrophobicContact CD2-CG 3.82Å; Y583-E586 HydrophobicContact CE2-CB 4.45Å; Y583-E586 HydrophobicContact CE2-CG 3.29Å; Y583-E586 PolarHBondContact OH-OE1 3.34Å; Y583-H588 WeakPolarHBondContact CB-O 3.37Å |
| 584 | L | 86.7 | Confident | 69.5 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -21.5 | 166.2 | -77.6 | 158.8 | 0 | 0 | 0 | 111.9 | L489 Y507 I509 V596 H600 L607 | L489-L584 HydrophobicContact CB-CD2 4.46Å; L489-L584 HydrophobicContact CD2-CD1 3.71Å; L489-L584 HydrophobicContact CD2-CD2 4.38Å; Y507-L584 VanDerWaalsContact CB-CD2 3.48Å; Y507-L584 HydrophobicContact CG-CD2 4.47Å; I509-L584 HydrophobicContact CG1-CD2 3.94Å; I509-L584 HydrophobicContact CG1-CG 4.2Å; L584-V596 HydrophobicContact CD1-CG1 3.45Å; L584-V596 VanDerWaalsContact CD1-CG1 3.45Å; L584-V596 HydrophobicContact CG-CG1 4.03Å; L584-H600 VanDerWaalsContact CD1-CD2 3.49Å; L584-H600 WeakPolarHBondContact CD1-CD2 3.4Å; L584-H600 WeakPolarHBondContact CD1-NE2 3.3Å; L584-L607 HydrophobicContact CD1-CD2 4.48Å |
| 585 | S | 82.7 | Confident | 72.3 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 140.5 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | K587 H588 | S585-K587 PolarHBondContact O-N 3.3Å; S585-H588 CarbonylContact O-C 3.36Å; S585-H588 PolarHBondContact O-N 3.15Å |
| 586 | E | 77 | Confident | 74.9 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16 | -175.9 | -65.8 | 167.3 | 167.3 | 0 | 0 | 113.4 | T545 Y583 H588 | T545-E586 PolarHBondContact OG1-OE2 2.86Å; Y583-E586 HydrophobicContact CD2-CG 3.82Å; Y583-E586 HydrophobicContact CE2-CB 4.45Å; Y583-E586 HydrophobicContact CE2-CG 3.29Å; Y583-E586 PolarHBondContact OH-OE1 3.34Å; E586-H588 VanDerWaalsContact C-N 3.25Å; E586-H588 PolarHBondContact O-N 3.37Å |
| 587 | K | 81 | Confident | 77.7 | Confident | 167 Ų | 167 | 54.3 Ų | 54.3 | 73% | 0.726 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | 170.9 | -61.4 | -177 | -180 | -178.7 | 0 | 113.9 | S585 | S585-K587 PolarHBondContact O-N 3.3Š|
| 588 | H | 83 | Confident | 80 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 89.9 | -175.8 | -57.1 | 115.5 | 0 | 0 | 0 | 109.6 | Y583 S585 E586 F590 Y599 | Y583-H588 WeakPolarHBondContact CB-O 3.37Å; S585-H588 CarbonylContact O-C 3.36Å; S585-H588 PolarHBondContact O-N 3.15Å; E586-H588 VanDerWaalsContact C-N 3.25Å; E586-H588 PolarHBondContact O-N 3.37Å; H588-F590 HydrophobicContact CB-CE2 3.69Å; H588-F590 HydrophobicContact CB-CZ 3.86Å; H588-F590 VanDerWaalsContact O-CE2 3.28Å; H588-F590 WeakPolarHBondContact O-CE2 3.41Å; H588-Y599 AromaticContact CD2-CZ 3.91Å; H588-Y599 AromaticContact CE1-CZ 3.98Å; H588-Y599 PolarHBondContact CE1-OH 3.25Å; H588-Y599 AromaticContact NE2-CZ 3.87Å; H588-Y599 PolarHBondContact NE2-OH 2.8Å; H588-Y599 VanDerWaalsContact NE2-OH 3.13Å |
| 589 | A | 86 | Confident | 82 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q581 Y582 | Q581-A589 HydrophobicContact CB-CB 3.92Å; Y582-A589 WeakPolarHBondContact O-CA 3.39Å |
| 590 | F | 84.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.9 | -171.4 | -50.4 | -99 | 0 | 0 | 0 | 112.3 | Q581 Y582 H588 T592 D595 V596 Y599 | Q581-F590 CarbonylContact C-O 3.53Å; Q581-F590 WeakPolarHBondContact CA-O 3.2Å; Q581-F590 PolarHBondContact OE1-O 3.27Å; Y582-F590 PolarHBondContact N-O 3.24Å; Y582-F590 PolarHBondContact O-N 3.38Å; H588-F590 HydrophobicContact CB-CE2 3.69Å; H588-F590 HydrophobicContact CB-CZ 3.86Å; H588-F590 VanDerWaalsContact O-CE2 3.28Å; H588-F590 WeakPolarHBondContact O-CE2 3.41Å; F590-T592 VanDerWaalsContact C-N 3.31Å; F590-T592 PolarHBondContact O-N 3.24Å; F590-D595 HydrophobicContact CB-CB 3.63Å; F590-D595 HydrophobicContact CD1-CB 3.96Å; F590-D595 HydrophobicContact CG-CB 4.05Å; F590-V596 HydrophobicContact CB-CG2 4.22Å; F590-V596 HydrophobicContact CD2-CB 4.36Å; F590-V596 HydrophobicContact CD2-CG2 3.67Å; F590-V596 HydrophobicContact CE2-CG2 4.43Å; F590-V596 HydrophobicContact CG-CG2 4.26Å; F590-Y599 HydrophobicContact CE1-CD2 4.13Å; F590-Y599 HydrophobicContact CE1-CG 4Å; F590-Y599 HydrophobicContact CE2-CD1 4.48Å; F590-Y599 HydrophobicContact CE2-CG 4.41Å; F590-Y599 AromaticContact CZ-CD1 3.87Å; F590-Y599 HydrophobicContact CZ-CD1 3.87Å; F590-Y599 AromaticContact CZ-CD2 3.81Å; F590-Y599 HydrophobicContact CZ-CD2 3.81Å; F590-Y599 AromaticContact CZ-CG 3.45Å; F590-Y599 HydrophobicContact CZ-CG 3.45Å; F590-Y599 VanDerWaalsContact CZ-CG 3.45Å |
| 591 | P | 79.6 | Confident | 84.2 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -63.3 | -32.2 | -177.7 | -25 | 35.7 | 0 | 0 | 0 | 114.2 | Q581 Y582 | Q581-P591 VanDerWaalsContact OE1-N 3.11Å; Y582-P591 WeakPolarHBondContact CD2-O 3.45Å; Y582-P591 WeakPolarHBondContact CE2-O 3.36Å |
| 592 | T | 79.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -131.6 | 160.4 | 179.5 | 82.5 | 0 | 0 | 0 | 0 | 113.3 | F590 S594 D595 V596 | F590-T592 VanDerWaalsContact C-N 3.31Å; F590-T592 PolarHBondContact O-N 3.24Å; T592-S594 PolarHBondContact O-N 3.22Å; T592-S594 WeakPolarHBondContact OG1-CB 3.43Å; T592-S594 PolarHBondContact OG1-N 2.97Å; T592-S594 VanDerWaalsContact OG1-N 3.15Å; T592-D595 WeakPolarHBondContact CA-OD2 3.32Å; T592-D595 VanDerWaalsContact CB-OD2 3.28Å; T592-D595 WeakPolarHBondContact CB-OD2 3.49Å; T592-D595 PolarHBondContact N-OD2 3.16Å; T592-D595 WeakPolarHBondContact O-CB 3.35Å; T592-D595 PolarHBondContact O-N 2.91Å; T592-D595 PolarHBondContact OG1-N 3.07Å; T592-D595 PolarHBondContact OG1-OD2 3.31Å; T592-V596 PolarHBondContact O-N 3.25Å |
| 593 | I | 83.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -28.1 | 170.7 | -56.1 | 171.4 | 0 | 0 | 0 | 111.2 | L446 W452 V477 Y487 I509 Y582 D595 V596 I597 | L446-I593 HydrophobicContact CD1-CD1 3.71Å; L446-I593 HydrophobicContact CD2-CD1 4.33Å; W452-I593 HydrophobicContact CH2-CB 4.17Å; W452-I593 HydrophobicContact CH2-CG2 3.63Å; W452-I593 HydrophobicContact CZ3-CG2 3.74Å; V477-I593 HydrophobicContact CG1-CG2 4.46Å; V477-I593 HydrophobicContact CG2-CG2 4.45Å; Y487-I593 HydrophobicContact CD1-CD1 4.38Å; Y487-I593 HydrophobicContact CD2-CD1 3.37Å; Y487-I593 HydrophobicContact CD2-CG1 4.45Å; Y487-I593 HydrophobicContact CE1-CD1 4.5Å; Y487-I593 HydrophobicContact CE2-CD1 3.52Å; Y487-I593 HydrophobicContact CG-CD1 3.83Å; I509-I593 HydrophobicContact CD1-CG2 3.81Å; Y582-I593 HydrophobicContact CD1-CD1 4.31Å; Y582-I593 HydrophobicContact CD1-CG1 3.81Å; Y582-I593 HydrophobicContact CD2-CG1 4.33Å; Y582-I593 HydrophobicContact CE1-CD1 4.29Å; Y582-I593 HydrophobicContact CE1-CG1 4.17Å; Y582-I593 HydrophobicContact CG-CG1 3.9Å; I593-D595 VanDerWaalsContact C-N 3.28Å; I593-D595 PolarHBondContact O-N 3.41Å; I593-V596 WeakPolarHBondContact O-CB 3.45Å; I593-V596 PolarHBondContact O-N 3.43Å; I593-I597 HydrophobicContact CG2-CG1 4.38Å; I593-I597 WeakPolarHBondContact O-CG1 3.33Å; I593-I597 PolarHBondContact O-N 3.37Å |
| 594 | S | 79.9 | Confident | 84.2 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.7 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | F450 T592 I597 H598 | F450-S594 WeakPolarHBondContact CE1-OG 3.45Å; T592-S594 PolarHBondContact O-N 3.22Å; T592-S594 WeakPolarHBondContact OG1-CB 3.43Å; T592-S594 PolarHBondContact OG1-N 2.97Å; T592-S594 VanDerWaalsContact OG1-N 3.15Å; S594-I597 PolarHBondContact O-N 2.84Å; S594-H598 WeakPolarHBondContact O-CB 3.36Å; S594-H598 PolarHBondContact O-N 3.15Å |
| 595 | D | 84.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 178.2 | -51.4 | -50.4 | 0 | 0 | 0 | 111.3 | F590 T592 I593 I597 H598 Y599 | F590-D595 HydrophobicContact CB-CB 3.63Å; F590-D595 HydrophobicContact CD1-CB 3.96Å; F590-D595 HydrophobicContact CG-CB 4.05Å; T592-D595 WeakPolarHBondContact CA-OD2 3.32Å; T592-D595 VanDerWaalsContact CB-OD2 3.28Å; T592-D595 WeakPolarHBondContact CB-OD2 3.49Å; T592-D595 PolarHBondContact N-OD2 3.16Å; T592-D595 WeakPolarHBondContact O-CB 3.35Å; T592-D595 PolarHBondContact O-N 2.91Å; T592-D595 PolarHBondContact OG1-N 3.07Å; T592-D595 PolarHBondContact OG1-OD2 3.31Å; I593-D595 VanDerWaalsContact C-N 3.28Å; I593-D595 PolarHBondContact O-N 3.41Å; D595-I597 VanDerWaalsContact C-N 3.32Å; D595-I597 PolarHBondContact O-N 3.41Å; D595-H598 PolarHBondContact O-N 3.35Å; D595-Y599 WeakPolarHBondContact O-CB 3.43Å; D595-Y599 PolarHBondContact O-N 3Å |
| 596 | V | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.1 | -49.7 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | L584 F590 T592 I593 H600 | L584-V596 HydrophobicContact CD1-CG1 3.45Å; L584-V596 VanDerWaalsContact CD1-CG1 3.45Å; L584-V596 HydrophobicContact CG-CG1 4.03Å; F590-V596 HydrophobicContact CB-CG2 4.22Å; F590-V596 HydrophobicContact CD2-CB 4.36Å; F590-V596 HydrophobicContact CD2-CG2 3.67Å; F590-V596 HydrophobicContact CE2-CG2 4.43Å; F590-V596 HydrophobicContact CG-CG2 4.26Å; T592-V596 PolarHBondContact O-N 3.25Å; I593-V596 WeakPolarHBondContact O-CB 3.45Å; I593-V596 PolarHBondContact O-N 3.43Å; V596-H600 PolarHBondContact O-CD2 2.85Å; V596-H600 VanDerWaalsContact O-CD2 3.25Å; V596-H600 PolarHBondContact O-N 2.99Å |
| 597 | I | 87.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 178.9 | -65.1 | -57.8 | 0 | 0 | 0 | 111.8 | W452 F475 V477 L489 I593 S594 D595 H600 K601 L611 | W452-I597 HydrophobicContact CD2-CG1 4.22Å; W452-I597 HydrophobicContact CD2-CG2 4.47Å; W452-I597 HydrophobicContact CE3-CG1 4.25Å; W452-I597 HydrophobicContact CH2-CG1 4.15Å; W452-I597 HydrophobicContact CZ2-CB 4.36Å; W452-I597 HydrophobicContact CZ2-CG1 4.08Å; W452-I597 HydrophobicContact CZ3-CG1 4.22Å; F475-I597 HydrophobicContact CD2-CD1 4.2Å; F475-I597 HydrophobicContact CE2-CD1 3.91Å; F475-I597 HydrophobicContact CE2-CG1 4.4Å; F475-I597 HydrophobicContact CE2-CG2 3.54Å; F475-I597 HydrophobicContact CZ-CG2 3.62Å; V477-I597 HydrophobicContact CG2-CD1 3.78Å; V477-I597 HydrophobicContact CG2-CG1 4.24Å; L489-I597 HydrophobicContact CD1-CD1 3.91Å; L489-I597 HydrophobicContact CD2-CD1 4.5Å; I593-I597 HydrophobicContact CG2-CG1 4.38Å; I593-I597 WeakPolarHBondContact O-CG1 3.33Å; I593-I597 PolarHBondContact O-N 3.37Å; S594-I597 PolarHBondContact O-N 2.84Å; D595-I597 VanDerWaalsContact C-N 3.32Å; D595-I597 PolarHBondContact O-N 3.41Å; I597-H600 PolarHBondContact O-N 2.82Å; I597-K601 HydrophobicContact CG2-CD 4.39Å; I597-K601 HydrophobicContact CG2-CG 4.48Å; I597-K601 WeakPolarHBondContact O-CB 3.25Å; I597-K601 VanDerWaalsContact O-CG 3.29Å; I597-K601 WeakPolarHBondContact O-CG 3.39Å; I597-K601 PolarHBondContact O-N 3.2Å; I597-L611 HydrophobicContact CD1-CD1 3.72Å; I597-L611 HydrophobicContact CG2-CD1 4.37Å |
| 598 | H | 85.6 | Confident | 84.8 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 176.9 | -173.6 | 104.6 | 0 | 0 | 0 | 111.5 | S594 D595 K601 H602 | S594-H598 WeakPolarHBondContact O-CB 3.36Å; S594-H598 PolarHBondContact O-N 3.15Å; D595-H598 PolarHBondContact O-N 3.35Å; H598-K601 PolarHBondContact O-N 3.41Å; H598-H602 AromaticContact CD2-CE1 3.88Å; H598-H602 AromaticContact CD2-ND1 3.66Å; H598-H602 AromaticContact CE1-CE1 3.68Å; H598-H602 AromaticContact NE2-CE1 3.36Å; H598-H602 PolarHBondContact NE2-CE1 2.79Å; H598-H602 AromaticContact NE2-ND1 3.55Å; H598-H602 PolarHBondContact O-ND1 2.84Å |
| 599 | Y | 88 | Confident | 85.2 | Confident | 49 Ų | 49 | 46 Ų | 46 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 174.9 | 173.6 | -91.3 | 0 | 0 | 0 | 111.2 | H588 F590 D595 K601 H602 N603 | H588-Y599 AromaticContact CD2-CZ 3.91Å; H588-Y599 AromaticContact CE1-CZ 3.98Å; H588-Y599 PolarHBondContact CE1-OH 3.25Å; H588-Y599 AromaticContact NE2-CZ 3.87Å; H588-Y599 PolarHBondContact NE2-OH 2.8Å; H588-Y599 VanDerWaalsContact NE2-OH 3.13Å; F590-Y599 HydrophobicContact CE1-CD2 4.13Å; F590-Y599 HydrophobicContact CE1-CG 4Å; F590-Y599 HydrophobicContact CE2-CD1 4.48Å; F590-Y599 HydrophobicContact CE2-CG 4.41Å; F590-Y599 AromaticContact CZ-CD1 3.87Å; F590-Y599 HydrophobicContact CZ-CD1 3.87Å; F590-Y599 AromaticContact CZ-CD2 3.81Å; F590-Y599 HydrophobicContact CZ-CD2 3.81Å; F590-Y599 AromaticContact CZ-CG 3.45Å; F590-Y599 HydrophobicContact CZ-CG 3.45Å; F590-Y599 VanDerWaalsContact CZ-CG 3.45Å; D595-Y599 WeakPolarHBondContact O-CB 3.43Å; D595-Y599 PolarHBondContact O-N 3Å; Y599-K601 VanDerWaalsContact C-N 3.26Å; Y599-K601 PolarHBondContact O-N 2.81Å; Y599-H602 PolarHBondContact O-N 3.45Å; Y599-N603 HydrophobicContact CE1-CB 4.11Å; Y599-N603 HydrophobicContact CE2-CB 4.26Å; Y599-N603 WeakPolarHBondContact CE2-ND2 3.42Å; Y599-N603 PolarHBondContact O-N 3.11Å |
| 600 | H | 90.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75 | -9.3 | -178.6 | -75.3 | -75.4 | 0 | 0 | 0 | 114.6 | L584 V596 I597 N603 S604 L607 L611 | L584-H600 VanDerWaalsContact CD1-CD2 3.49Å; L584-H600 WeakPolarHBondContact CD1-CD2 3.4Å; L584-H600 WeakPolarHBondContact CD1-NE2 3.3Å; V596-H600 PolarHBondContact O-CD2 2.85Å; V596-H600 VanDerWaalsContact O-CD2 3.25Å; V596-H600 PolarHBondContact O-N 2.99Å; I597-H600 PolarHBondContact O-N 2.82Å; H600-N603 CarbonylContact C-O 3.6Å; H600-N603 VanDerWaalsContact CA-O 3.26Å; H600-N603 WeakPolarHBondContact CA-O 3.48Å; H600-N603 VanDerWaalsContact O-O 3.07Å; H600-S604 PolarHBondContact ND1-O 3.44Å; H600-L607 HydrophobicContact CB-CD1 3.78Å; H600-L607 WeakPolarHBondContact ND1-CD1 3.24Å; H600-L611 HydrophobicContact CB-CD1 3.65Å; H600-L611 HydrophobicContact CB-CG 3.91Å; H600-L611 WeakPolarHBondContact O-CB 3.47Å; H600-L611 WeakPolarHBondContact O-CG 3.45Å; H600-L611 PolarHBondContact O-N 2.97Å |
| 601 | K | 88.1 | Confident | 85.9 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 27% | 0.265 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.6 | -26.5 | 163.7 | -84.9 | 174.9 | 177.4 | 179.4 | 0 | 113.1 | I597 H598 Y599 R610 L611 | I597-K601 HydrophobicContact CG2-CD 4.39Å; I597-K601 HydrophobicContact CG2-CG 4.48Å; I597-K601 WeakPolarHBondContact O-CB 3.25Å; I597-K601 VanDerWaalsContact O-CG 3.29Å; I597-K601 WeakPolarHBondContact O-CG 3.39Å; I597-K601 PolarHBondContact O-N 3.2Å; H598-K601 PolarHBondContact O-N 3.41Å; Y599-K601 VanDerWaalsContact C-N 3.26Å; Y599-K601 PolarHBondContact O-N 2.81Å; K601-R610 WeakPolarHBondContact O-CD 3.31Å; K601-R610 WeakPolarHBondContact O-CG 3.17Å; K601-R610 PolarHBondContact O-NH1 3.08Å; K601-L611 WeakPolarHBondContact CA-O 3.34Å; K601-L611 HydrophobicContact CG-CB 4.08Å |
| 602 | H | 87.4 | Confident | 86.5 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -102.9 | -38.8 | -177.4 | -66.6 | 95.7 | 0 | 0 | 0 | 112.4 | H598 Y599 R610 | H598-H602 AromaticContact CD2-CE1 3.88Å; H598-H602 AromaticContact CD2-ND1 3.66Å; H598-H602 AromaticContact CE1-CE1 3.68Å; H598-H602 AromaticContact NE2-CE1 3.36Å; H598-H602 PolarHBondContact NE2-CE1 2.79Å; H598-H602 AromaticContact NE2-ND1 3.55Å; H598-H602 PolarHBondContact O-ND1 2.84Å; Y599-H602 PolarHBondContact O-N 3.45Å; H602-R610 WeakPolarHBondContact O-CD 3.41Å |
| 603 | N | 85.3 | Confident | 86.9 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | trans | -112.7 | 148.3 | 178 | -55.9 | -73.4 | 0 | 0 | 0 | 109.4 | Y599 H600 G605 | Y599-N603 HydrophobicContact CE1-CB 4.11Å; Y599-N603 HydrophobicContact CE2-CB 4.26Å; Y599-N603 WeakPolarHBondContact CE2-ND2 3.42Å; Y599-N603 PolarHBondContact O-N 3.11Å; H600-N603 CarbonylContact C-O 3.6Å; H600-N603 VanDerWaalsContact CA-O 3.26Å; H600-N603 WeakPolarHBondContact CA-O 3.48Å; H600-N603 VanDerWaalsContact O-O 3.07Å; N603-G605 VanDerWaalsContact C-N 3.33Å | ||
| 604 | S | 81 | Confident | 87.1 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | trans | -67.4 | -38.6 | 167.8 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | H600 G606 L607 | H600-S604 PolarHBondContact ND1-O 3.44Å; S604-G606 PolarHBondContact O-N 2.9Å; S604-G606 VanDerWaalsContact O-N 3.16Å; S604-L607 WeakPolarHBondContact O-CB 3.33Å; S604-L607 WeakPolarHBondContact O-CG 3.46Å; S604-L607 PolarHBondContact O-N 2.89Å | ||
| 605 | G | 79.7 | Confident | 87.4 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 20.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I547 N603 | I547-G605 WeakPolarHBondContact CD1-O 3.45Å; N603-G605 VanDerWaalsContact C-N 3.33Å |
| 606 | G | 82.5 | Confident | 87.1 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 52% | 0.515 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 2.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S604 | S604-G606 PolarHBondContact O-N 2.9Å; S604-G606 VanDerWaalsContact O-N 3.16Å |
| 607 | L | 88.4 | Confident | 86.5 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.8 | 153.4 | 163.7 | -58 | -179.4 | 0 | 0 | 0 | 110.9 | L489 Y507 L584 H600 S604 V609 L611 | L489-L607 HydrophobicContact CD2-CD1 3.88Å; L489-L607 HydrophobicContact CD2-CD2 4.35Å; Y507-L607 HydrophobicContact CD1-CD2 3.6Å; Y507-L607 HydrophobicContact CD2-CD2 3.83Å; Y507-L607 HydrophobicContact CE1-CD2 3.53Å; Y507-L607 HydrophobicContact CE2-CD2 3.79Å; Y507-L607 HydrophobicContact CG-CD2 3.75Å; L584-L607 HydrophobicContact CD1-CD2 4.48Å; H600-L607 HydrophobicContact CB-CD1 3.78Å; H600-L607 WeakPolarHBondContact ND1-CD1 3.24Å; S604-L607 WeakPolarHBondContact O-CB 3.33Å; S604-L607 WeakPolarHBondContact O-CG 3.46Å; S604-L607 PolarHBondContact O-N 2.89Å; L607-V609 WeakPolarHBondContact CB-O 3.46Å; L607-V609 PolarHBondContact O-N 2.81Å; L607-L611 HydrophobicContact CD1-CD2 3.91Å; L607-L611 HydrophobicContact CD1-CG 4.13Å |
| 608 | V | 89.2 | Confident | 85.2 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -58.3 | -29 | 177.1 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | H505 Y507 | H505-V608 HydrophobicContact CB-CG1 4.05Å; Y507-V608 PolarHBondContact OH-N 3.19Å |
| 609 | V | 91.9 | Very high | 84.4 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -149.1 | 150.4 | 174.9 | 71.9 | 0 | 0 | 0 | 0 | 109.9 | E472 V491 T492 L607 | E472-V609 HydrophobicContact CG-CG2 4.42Å; V491-V609 HydrophobicContact CG2-CG1 3.76Å; T492-V609 WeakPolarHBondContact O-CG1 3.15Å; L607-V609 WeakPolarHBondContact CB-O 3.46Å; L607-V609 PolarHBondContact O-N 2.81Å |
| 610 | R | 92.3 | Very high | 83.5 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | trans | -64.1 | 135.3 | 168.4 | -176.8 | 173.7 | 68.3 | 96 | -10.8 | 109.9 | K601 H602 R612 | K601-R610 WeakPolarHBondContact O-CD 3.31Å; K601-R610 WeakPolarHBondContact O-CG 3.17Å; K601-R610 PolarHBondContact O-NH1 3.08Å; H602-R610 WeakPolarHBondContact O-CD 3.41Å; R610-R612 PolarHBondContact O-N 3.18Å | ||
| 611 | L | 93 | Very high | 82.6 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | trans | -64.5 | 132.2 | 179.3 | -54.8 | -176.5 | 0 | 0 | 0 | 110.1 | F475 L489 V491 I597 H600 K601 L607 | F475-L611 HydrophobicContact CB-CD2 3.83Å; F475-L611 HydrophobicContact CD1-CB 3.75Å; F475-L611 HydrophobicContact CD1-CD2 4.31Å; F475-L611 HydrophobicContact CD1-CG 4.41Å; F475-L611 HydrophobicContact CD2-CD1 4.03Å; F475-L611 HydrophobicContact CD2-CD2 4.44Å; F475-L611 HydrophobicContact CE1-CB 3.91Å; F475-L611 HydrophobicContact CE2-CD1 4.17Å; F475-L611 HydrophobicContact CG-CB 4.18Å; F475-L611 HydrophobicContact CG-CD1 4.23Å; F475-L611 HydrophobicContact CG-CD2 3.94Å; F475-L611 HydrophobicContact CG-CG 4.33Å; F475-L611 HydrophobicContact CZ-CB 4.46Å; F475-L611 HydrophobicContact CZ-CD1 4.47Å; L489-L611 HydrophobicContact CD1-CD1 4.27Å; L489-L611 HydrophobicContact CD1-CD2 4.26Å; L489-L611 HydrophobicContact CD2-CD1 4.22Å; L489-L611 HydrophobicContact CD2-CD2 4.3Å; V491-L611 HydrophobicContact CB-CD2 4.1Å; V491-L611 HydrophobicContact CG2-CD2 3.79Å; I597-L611 HydrophobicContact CD1-CD1 3.72Å; I597-L611 HydrophobicContact CG2-CD1 4.37Å; H600-L611 HydrophobicContact CB-CD1 3.65Å; H600-L611 HydrophobicContact CB-CG 3.91Å; H600-L611 WeakPolarHBondContact O-CB 3.47Å; H600-L611 WeakPolarHBondContact O-CG 3.45Å; H600-L611 PolarHBondContact O-N 2.97Å; K601-L611 WeakPolarHBondContact CA-O 3.34Å; K601-L611 HydrophobicContact CG-CB 4.08Å; L607-L611 HydrophobicContact CD1-CD2 3.91Å; L607-L611 HydrophobicContact CD1-CG 4.13Å | ||
| 612 | R | 91.3 | Very high | 82 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | trans | -109.1 | -60 | -178.2 | -59.4 | -171.9 | -168.9 | 156.2 | -1.7 | 112.3 | E472 G473 R610 | E472-R612 VanDerWaalsContact CD-NH2 3.35Å; E472-R612 WeakPolarHBondContact O-CD 3.34Å; E472-R612 PolarHBondContact O-NH1 3.19Å; E472-R612 VanDerWaalsContact O-NH1 3.1Å; E472-R612 IonicContact OE2-CZ 3.76Å; E472-R612 IonicContact OE2-NH1 2.7Å; E472-R612 PolarHBondContact OE2-NH1 3.4Å; E472-R612 IonicContact OE2-NH2 2.94Å; E472-R612 PolarHBondContact OE2-NH2 3.19Å; G473-R612 WeakPolarHBondContact O-CB 3.46Å; G473-R612 PolarHBondContact O-N 3.47Å; R610-R612 PolarHBondContact O-N 3.18Å | ||
| 613 | S | 88.5 | Confident | 81.5 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -150.2 | 152.8 | -175.9 | 62.8 | 0 | 0 | 0 | 0 | 113 | R471 G473 C474 F475 | R471-S613 PolarHBondContact NH1-OG 2.79Å; G473-S613 PolarHBondContact O-N 3.32Å; C474-S613 CarbonylContact C-O 3.52Å; C474-S613 VanDerWaalsContact CA-O 3.28Å; C474-S613 WeakPolarHBondContact CA-O 3.32Å; F475-S613 VanDerWaalsContact CD1-O 3.24Å; F475-S613 WeakPolarHBondContact CD1-O 3.36Å; F475-S613 VanDerWaalsContact CE1-C 3.45Å; F475-S613 PolarHBondContact N-O 2.88Å |
| 614 | P | 88.1 | Confident | 81.1 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -62 | 170.8 | 161.3 | 30.3 | -36.4 | 0 | 0 | 0 | 111.9 | W452 R471 F475 | W452-P614 HydrophobicContact CB-CB 4.1Å; R471-P614 PolarHBondContact NH2-O 2.86Å; F475-P614 WeakPolarHBondContact O-CA 3.32Å | ||
| 615 | P | 86.7 | Confident | 80.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | trans | -50.9 | 150.4 | 158.4 | -25.8 | 35.5 | 0 | 0 | 0 | 112 | Y454 I465 L466 E469 F475 | Y454-P615 HydrophobicContact CE2-CG 4.01Å; Y454-P615 WeakPolarHBondContact OH-CB 3.27Å; I465-P615 HydrophobicContact CG2-CB 4.21Å; I465-P615 HydrophobicContact CG2-CG 3.86Å; L466-P615 HydrophobicContact CD2-CG 4.28Å; E469-P615 VanDerWaalsContact CD-CA 3.43Å; E469-P615 HydrophobicContact CG-CB 3.75Å; E469-P615 HydrophobicContact CG-CG 4.32Å; E469-P615 WeakPolarHBondContact OE1-CA 2.89Å; E469-P615 WeakPolarHBondContact OE1-CB 3.25Å; F475-P615 WeakPolarHBondContact O-CD 3.46Å | ||
| 616 | T | 77.9 | Confident | 79.7 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | trans | -124.2 | -21.4 | -174.3 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | E469 R471 D618 | E469-T616 PolarHBondContact OE1-N 3.39Å; E469-T616 PolarHBondContact OE2-N 2.91Å; E469-T616 PolarHBondContact OE2-OG1 3.14Å; R471-T616 PolarHBondContact NH2-OG1 3.45Å; T616-D618 PolarHBondContact O-N 2.92Å | ||
| 617 | K | 72.9 | Confident | 79.2 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -61.4 | 132.7 | 167 | -69.8 | 172.3 | 165.8 | 178.2 | 0 | 109 | D468 E469 R619 | D468-K617 PolarHBondContact O-NZ 2.64Å; D468-K617 IonicContact OD1-NZ 2.82Å; D468-K617 PolarHBondContact OD1-NZ 2.72Å; D468-K617 WeakPolarHBondContact OD2-CD 3.35Å; D468-K617 IonicContact OD2-NZ 2.83Å; D468-K617 PolarHBondContact OD2-NZ 3.44Å; E469-K617 VanDerWaalsContact OE1-CB 3.3Å; E469-K617 WeakPolarHBondContact OE1-CB 3.38Å; E469-K617 WeakPolarHBondContact OE1-CG 3.43Å; E469-K617 PolarHBondContact OE1-N 2.91Å; K617-R619 PolarHBondContact O-N 3.49Å |
| 618 | D | 61.8 | Low | 78 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127.8 | -179.4 | -93.4 | -52.3 | 0 | 0 | 0 | 110.9 | K363 T616 E620 | K363-D618 IonicContact NZ-OD1 3.72Å; K363-D618 PolarHBondContact NZ-OD1 3.28Å; T616-D618 PolarHBondContact O-N 2.92Å; D618-E620 PolarHBondContact O-N 2.93Å |
| 619 | R | 68.6 | Low | 76.6 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 132.3 | 171.3 | -61 | 179.8 | -172.5 | -177.1 | 1.1 | 107.7 | Y349 S447 S451 Y453 Y454 K617 S621 | Y349-R619 HydrophobicContact CE1-CB 3.86Å; S447-R619 PolarHBondContact O-NH1 2.88Å; S451-R619 PolarHBondContact O-NH2 2.9Å; Y453-R619 VanDerWaalsContact O-CZ 3.29Å; Y453-R619 PolarHBondContact O-NH1 2.84Å; Y453-R619 PolarHBondContact O-NH2 3.46Å; Y454-R619 HydrophobicContact CE1-CG 3.92Å; Y454-R619 PolarHBondContact OH-NE 3.44Å; K617-R619 PolarHBondContact O-N 3.49Å; R619-S621 PolarHBondContact O-N 2.8Å; R619-S621 VanDerWaalsContact O-N 3.14Å |
| 620 | E | 69 | Low | 75.1 | Confident | 121 Ų | 121 | 52.1 Ų | 52.1 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 124.4 | 169.4 | -68 | -173.7 | 151.9 | 0 | 0 | 109.1 | D618 K769 | D618-E620 PolarHBondContact O-N 2.93Å; E620-K769 IonicContact OE2-NZ 2.68Å; E620-K769 PolarHBondContact OE2-NZ 2.92Å |
| 621 | S | 70.9 | Confident | 74.1 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -57 | 137.4 | 178.5 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | R619 | R619-S621 PolarHBondContact O-N 2.8Å; R619-S621 VanDerWaalsContact O-N 3.14Å |
| 622 | P | 75.4 | Confident | 73.4 | Confident | 35 Ų | 35 | 47 Ų | 47 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 149.5 | -178.8 | 30 | -35.5 | 0 | 0 | 0 | 109.7 | Y349 N393 Y394 | Y349-P622 HydrophobicContact CD2-CG 4.28Å; Y349-P622 HydrophobicContact CE2-CG 4.05Å; N393-P622 HydrophobicContact CB-CG 4.37Å; Y394-P622 HydrophobicContact CD2-CG 4.05Å; Y394-P622 HydrophobicContact CE2-CG 3.92Å; Y394-P622 WeakPolarHBondContact CE2-O 3.3Å; Y394-P622 PolarHBondContact OH-O 2.9Å; Y394-P622 VanDerWaalsContact OH-O 3.11Å |
| 623 | V | 77.2 | Confident | 73.2 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 138.7 | 177.5 | -169.9 | 0 | 0 | 0 | 0 | 109 | N393 Q696 F698 | N393-V623 PolarHBondContact ND2-O 3.08Å; V623-Q696 HydrophobicContact CB-CB 4.35Å; V623-Q696 HydrophobicContact CG1-CB 3.83Å; V623-Q696 HydrophobicContact CG1-CG 3.84Å; V623-F698 HydrophobicContact CG1-CE1 3.44Å; V623-F698 VanDerWaalsContact CG1-CE1 3.44Å; V623-F698 HydrophobicContact CG1-CZ 3.66Å |
| 624 | T | 77.2 | Confident | 73.1 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 142.4 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 111 | Y351 W377 P391 Y394 G626 Q696 | Y351-T624 HydrophobicContact CE2-CG2 4.11Å; W377-T624 HydrophobicContact CH2-CG2 4.36Å; W377-T624 HydrophobicContact CZ2-CG2 4.49Å; P391-T624 HydrophobicContact CB-CG2 3.65Å; P391-T624 HydrophobicContact CG-CG2 3.79Å; Y394-T624 HydrophobicContact CD2-CG2 4.49Å; Y394-T624 HydrophobicContact CE2-CG2 3.69Å; T624-G626 CarbonylContact C-O 3.5Å; T624-G626 WeakPolarHBondContact CB-O 3.32Å; T624-G626 PolarHBondContact O-N 3.33Å; T624-G626 PolarHBondContact OG1-O 3.11Å; T624-Q696 WeakPolarHBondContact O-CG 3.46Å |
| 625 | A | 63.2 | Low | 73.2 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.4 | 95.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q376 W377 N690 | Q376-A625 HydrophobicContact CB-CB 4Å; Q376-A625 HydrophobicContact CG-CB 3.75Å; W377-A625 PolarHBondContact NE1-O 2.9Å; A625-N690 HydrophobicContact CB-CB 4.32Å |
| 626 | G | 67.8 | Low | 73.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 79.8 | 178.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T624 | T624-G626 CarbonylContact C-O 3.5Å; T624-G626 WeakPolarHBondContact CB-O 3.32Å; T624-G626 PolarHBondContact O-N 3.33Å; T624-G626 PolarHBondContact OG1-O 3.11Å |
| 627 | M | 71.3 | Confident | 74 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -93.2 | -13.5 | -179.1 | -55.1 | -57.3 | -99 | 0 | 0 | 113.5 | Q358 L634 F659 I662 F698 | Q358-M627 PolarHBondContact NE2-O 3.04Å; M627-L634 HydrophobicContact CG-CD2 4.32Å; M627-F659 HydrophobicContact CB-CE1 4.49Å; M627-F659 HydrophobicContact CE-CD1 3.65Å; M627-F659 HydrophobicContact CE-CE1 4.39Å; M627-F659 HydrophobicContact CG-CD1 4.3Å; M627-F659 HydrophobicContact CG-CE1 4.23Å; M627-I662 HydrophobicContact CE-CB 3.97Å; M627-I662 HydrophobicContact CE-CD1 3.57Å; M627-I662 HydrophobicContact CE-CG1 4.34Å; M627-I662 HydrophobicContact CE-CG2 4.08Å; M627-F698 HydrophobicContact CG-CB 4.04Å; M627-F698 HydrophobicContact CG-CD1 4.44Å; M627-F698 HydrophobicContact CG-CG 4.36Å; M627-F698 HydrophobicContact SD-CB 3.95Å; M627-F698 HydrophobicContact SD-CD1 3.46Å; M627-F698 WeakPolarHBondContact SD-CD1 3.19Å; M627-F698 HydrophobicContact SD-CD2 4.12Å; M627-F698 HydrophobicContact SD-CE1 3.87Å; M627-F698 HydrophobicContact SD-CE2 4.45Å; M627-F698 HydrophobicContact SD-CG 3.6Å; M627-F698 HydrophobicContact SD-CZ 4.35Å |
| 628 | G | 63.1 | Low | 74.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 177.7 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q358 D630 E631 | Q358-G628 VanDerWaalsContact NE2-CA 3.32Å; G628-D630 PolarHBondContact O-N 3.2Å; G628-E631 WeakPolarHBondContact CA-OE1 3.46Å; G628-E631 PolarHBondContact O-N 3.45Å |
| 629 | L | 59.7 | Low | 76.4 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 126.6 | 177.1 | -168.4 | 83.7 | 0 | 0 | 0 | 110.4 | N374 W377 Y389 E631 | N374-L629 HydrophobicContact CB-CD1 3.87Å; N374-L629 VanDerWaalsContact ND2-CD1 3.34Å; N374-L629 WeakPolarHBondContact ND2-CD1 3.35Å; W377-L629 HydrophobicContact CB-CD1 3.9Å; Y389-L629 HydrophobicContact CD1-CD2 4.44Å; Y389-L629 HydrophobicContact CE1-CD1 4.41Å; Y389-L629 HydrophobicContact CE1-CD2 3.78Å; Y389-L629 HydrophobicContact CE2-CD2 4.25Å; L629-E631 PolarHBondContact O-N 2.93Å |
| 630 | D | 62 | Low | 77.6 | Confident | 103 Ų | 103 | 42.8 Ų | 42.8 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 10.7 | -179.7 | -68 | -44.3 | 0 | 0 | 0 | 117.8 | G628 F632 R687 | G628-D630 PolarHBondContact O-N 3.2Å; D630-F632 PolarHBondContact O-N 2.99Å; D630-R687 IonicContact OD1-NH2 3.52Å; D630-R687 PolarHBondContact OD1-NH2 2.96Å; D630-R687 VanDerWaalsContact OD1-NH2 3.09Å |
| 631 | E | 71.5 | Confident | 78.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | trans | -68.2 | 106.1 | 161.7 | -67.1 | -171.7 | -109.3 | 0 | 0 | 109.8 | R355 G628 L629 L634 R660 R687 | R355-E631 VanDerWaalsContact CD-OE1 3.24Å; R355-E631 WeakPolarHBondContact CD-OE1 3.45Å; R355-E631 IonicContact CZ-OE1 3.99Å; R355-E631 IonicContact CZ-OE2 2.66Å; R355-E631 VanDerWaalsContact CZ-OE2 3.26Å; R355-E631 IonicContact NE-OE1 3.54Å; R355-E631 PolarHBondContact NE-OE1 2.91Å; R355-E631 VanDerWaalsContact NE-OE1 3.14Å; R355-E631 IonicContact NE-OE2 2.74Å; R355-E631 PolarHBondContact NE-OE2 3.3Å; R355-E631 VanDerWaalsContact NH1-CG 3.33Å; R355-E631 IonicContact NH1-OE1 3.61Å; R355-E631 PolarHBondContact NH1-OE1 3.21Å; R355-E631 IonicContact NH1-OE2 3.91Å; R355-E631 IonicContact NH2-OE1 3.73Å; R355-E631 IonicContact NH2-OE2 3.27Å; R355-E631 PolarHBondContact NH2-OE2 3.06Å; G628-E631 WeakPolarHBondContact CA-OE1 3.46Å; G628-E631 PolarHBondContact O-N 3.45Å; L629-E631 PolarHBondContact O-N 2.93Å; E631-L634 HydrophobicContact CB-CD2 4.24Å; E631-R660 IonicContact OE1-NH1 3.96Å; E631-R660 PolarHBondContact OE1-NH1 3.43Å; E631-R660 IonicContact OE2-CZ 3.06Å; E631-R660 VanDerWaalsContact OE2-CZ 3.23Å; E631-R660 IonicContact OE2-NH1 2.62Å; E631-R660 PolarHBondContact OE2-NH1 3.17Å; E631-R660 IonicContact OE2-NH2 3.58Å; E631-R660 PolarHBondContact OE2-NH2 3.16Å; E631-R687 PolarHBondContact O-NH1 3.16Å | ||
| 632 | F | 78 | Confident | 79.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -127.4 | -42.3 | 165.5 | 172.7 | -101 | 0 | 0 | 0 | 110.8 | D630 L634 I680 A683 K684 G699 V700 | D630-F632 PolarHBondContact O-N 2.99Å; F632-L634 PolarHBondContact O-N 3.48Å; F632-I680 HydrophobicContact CE1-CG2 4.32Å; F632-A683 VanDerWaalsContact CE2-C 3.46Å; F632-A683 HydrophobicContact CE2-CB 3.77Å; F632-A683 WeakPolarHBondContact CE2-O 3.43Å; F632-A683 HydrophobicContact CZ-CB 3.54Å; F632-K684 HydrophobicContact CD1-CD 3.95Å; F632-K684 HydrophobicContact CD1-CG 3.36Å; F632-K684 HydrophobicContact CD2-CG 4.07Å; F632-K684 HydrophobicContact CE1-CD 3.94Å; F632-K684 HydrophobicContact CE1-CG 3.3Å; F632-K684 HydrophobicContact CE2-CG 3.99Å; F632-K684 HydrophobicContact CG-CG 3.75Å; F632-K684 HydrophobicContact CZ-CB 4.44Å; F632-K684 HydrophobicContact CZ-CG 3.61Å; F632-G699 CarbonylContact O-C 3.58Å; F632-G699 WeakPolarHBondContact O-CA 3.45Å; F632-V700 HydrophobicContact CD1-CG2 3.93Å; F632-V700 HydrophobicContact CE1-CB 4.47Å; F632-V700 HydrophobicContact CE1-CG2 3.21Å; F632-V700 HydrophobicContact CE2-CG1 4.05Å; F632-V700 HydrophobicContact CE2-CG2 4.03Å; F632-V700 HydrophobicContact CZ-CB 4.14Å; F632-V700 HydrophobicContact CZ-CG1 3.72Å; F632-V700 HydrophobicContact CZ-CG2 3.28Å; F632-V700 PolarHBondContact O-N 2.82Å | ||
| 633 | E | 86 | Confident | 80.6 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -90 | 99 | 174.5 | -60.1 | -179.9 | -153.3 | 0 | 0 | 108.2 | K684 V700 L702 | E633-K684 WeakPolarHBondContact OE1-CE 3.43Å; E633-K684 IonicContact OE1-NZ 3.14Å; E633-K684 PolarHBondContact OE1-NZ 3.28Å; E633-V700 CarbonylContact C-O 3.44Å; E633-V700 WeakPolarHBondContact CA-O 3.4Å; E633-L702 HydrophobicContact CG-CD1 3.93Å; E633-L702 HydrophobicContact CG-CG 4.41Å |
| 634 | L | 87.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | trans | -83.9 | 144.5 | -173.9 | -60.3 | 175.3 | 0 | 0 | 0 | 110.5 | M627 E631 F632 F659 V700 V701 I710 | M627-L634 HydrophobicContact CG-CD2 4.32Å; E631-L634 HydrophobicContact CB-CD2 4.24Å; F632-L634 PolarHBondContact O-N 3.48Å; L634-F659 HydrophobicContact CB-CE2 3.8Å; L634-F659 HydrophobicContact CB-CZ 3.97Å; L634-F659 HydrophobicContact CD2-CE1 4.11Å; L634-F659 HydrophobicContact CD2-CE2 4.45Å; L634-F659 HydrophobicContact CD2-CZ 3.8Å; L634-F659 HydrophobicContact CG-CE2 4.49Å; L634-F659 HydrophobicContact CG-CZ 4.32Å; L634-V700 PolarHBondContact N-O 2.86Å; L634-V701 HydrophobicContact CB-CG2 4.38Å; L634-I710 HydrophobicContact CD1-CB 3.82Å; L634-I710 HydrophobicContact CD1-CG1 3.78Å; L634-I710 HydrophobicContact CD1-CG2 4.09Å | ||
| 635 | D | 89.2 | Confident | 82 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -79.8 | 126.3 | -174.5 | -155.3 | -73.5 | 0 | 0 | 0 | 112 | A637 E638 K703 | D635-A637 PolarHBondContact O-N 2.87Å; D635-A637 VanDerWaalsContact O-N 3.16Å; D635-A637 WeakPolarHBondContact OD1-CB 3.39Å; D635-A637 PolarHBondContact OD1-N 3.42Å; D635-E638 HydrophobicContact CB-CG 4.23Å; D635-E638 PolarHBondContact O-N 3.38Å; D635-E638 VanDerWaalsContact O-N 3.17Å; D635-K703 IonicContact OD2-NZ 2.83Å; D635-K703 PolarHBondContact OD2-NZ 3.17Å | ||
| 636 | P | 90.8 | Very high | 83.4 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.6 | 179 | 25.7 | -35.1 | 0 | 0 | 0 | 114.5 | V701 K703 K704 | P636-V701 HydrophobicContact CB-CG1 3.86Å; P636-V701 HydrophobicContact CG-CG1 4.31Å; P636-K703 HydrophobicContact CG-CB 4.26Å; P636-K704 HydrophobicContact CB-CB 3.69Å; P636-K704 HydrophobicContact CB-CD 3.67Å; P636-K704 HydrophobicContact CB-CG 4.35Å; P636-K704 HydrophobicContact CG-CB 3.92Å |
| 637 | A | 91.6 | Very high | 84.3 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 66% | 0.661 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -27.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D635 L639 | D635-A637 PolarHBondContact O-N 2.87Å; D635-A637 VanDerWaalsContact O-N 3.16Å; D635-A637 WeakPolarHBondContact OD1-CB 3.39Å; D635-A637 PolarHBondContact OD1-N 3.42Å; A637-L639 VanDerWaalsContact C-N 3.31Å |
| 638 | E | 91 | Very high | 84.9 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 29% | 0.29 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.1 | 179.1 | -58.8 | 179.5 | 120.7 | 0 | 0 | 112.3 | D635 H640 F659 R660 | D635-E638 HydrophobicContact CB-CG 4.23Å; D635-E638 PolarHBondContact O-N 3.38Å; D635-E638 VanDerWaalsContact O-N 3.17Å; E638-H640 PolarHBondContact O-ND1 2.88Å; E638-F659 HydrophobicContact CB-CD2 4.03Å; E638-F659 HydrophobicContact CB-CE2 3.61Å; E638-F659 HydrophobicContact CB-CZ 4.07Å; E638-F659 WeakPolarHBondContact OE2-CZ 3.44Å; E638-R660 HydrophobicContact CB-CG 4.39Å; E638-R660 VanDerWaalsContact CD-NE 3.3Å; E638-R660 VanDerWaalsContact CD-NH2 3.33Å; E638-R660 IonicContact OE1-CZ 3.33Å; E638-R660 VanDerWaalsContact OE1-CZ 3.3Å; E638-R660 IonicContact OE1-NE 2.9Å; E638-R660 PolarHBondContact OE1-NE 2.79Å; E638-R660 IonicContact OE1-NH2 2.97Å; E638-R660 PolarHBondContact OE1-NH2 3.31Å; E638-R660 VanDerWaalsContact OE1-NH2 3.1Å; E638-R660 IonicContact OE2-CZ 3.49Å; E638-R660 IonicContact OE2-NE 2.81Å; E638-R660 PolarHBondContact OE2-NE 2.92Å; E638-R660 IonicContact OE2-NH2 2.71Å; E638-R660 PolarHBondContact OE2-NH2 3.12Å |
| 639 | L | 93.2 | Very high | 85.4 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 104.8 | -171.5 | -175 | 61.8 | 0 | 0 | 0 | 112.7 | A637 L641 F659 V664 V666 V701 M708 I710 | A637-L639 VanDerWaalsContact C-N 3.31Å; L639-L641 HydrophobicContact CD1-CD2 4.1Å; L639-L641 HydrophobicContact CD2-CD2 3.99Å; L639-L641 HydrophobicContact CG-CD2 3.76Å; L639-L641 HydrophobicContact CG-CG 4.35Å; L639-F659 HydrophobicContact CB-CD2 4.14Å; L639-F659 HydrophobicContact CD1-CB 4.05Å; L639-F659 HydrophobicContact CD1-CD2 4.22Å; L639-V664 HydrophobicContact CD1-CG2 3.89Å; L639-V666 HydrophobicContact CD1-CG2 4.05Å; L639-V666 HydrophobicContact CD2-CG1 4.33Å; L639-V666 HydrophobicContact CD2-CG2 4.43Å; L639-V701 HydrophobicContact CD2-CG2 3.95Å; L639-M708 HydrophobicContact CD2-SD 4.46Å; L639-I710 HydrophobicContact CD1-CD1 4.34Å; L639-I710 HydrophobicContact CD2-CD1 3.64Å |
| 640 | H | 94.3 | Very high | 85.8 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 61% | 0.606 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.3 | 178.1 | -65.5 | 69.3 | 0 | 0 | 0 | 109.8 | E638 G657 K658 | E638-H640 PolarHBondContact O-ND1 2.88Å; H640-G657 CarbonylContact O-C 3.58Å; H640-G657 WeakPolarHBondContact O-CA 3.39Å; H640-K658 PolarHBondContact N-O 3.43Å; H640-K658 PolarHBondContact O-N 2.98Å |
| 641 | L | 93.8 | Very high | 86.2 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.1 | -178.6 | -58.4 | -176.7 | 0 | 0 | 0 | 112.2 | L639 V666 M708 | L639-L641 HydrophobicContact CD1-CD2 4.1Å; L639-L641 HydrophobicContact CD2-CD2 3.99Å; L639-L641 HydrophobicContact CG-CD2 3.76Å; L639-L641 HydrophobicContact CG-CG 4.35Å; L641-V666 HydrophobicContact CD2-CB 3.9Å; L641-V666 HydrophobicContact CD2-CG1 3.84Å; L641-V666 HydrophobicContact CD2-CG2 3.62Å; L641-M708 HydrophobicContact CD1-SD 4.28Å |
| 642 | E | 94.3 | Very high | 86.7 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 149.4 | 165.7 | -66 | 178 | -165.9 | 0 | 0 | 109.6 | R656 | E642-R656 HydrophobicContact CB-CB 4.46Å; E642-R656 WeakPolarHBondContact CB-O 3.46Å; E642-R656 VanDerWaalsContact CD-NH1 3.3Å; E642-R656 HydrophobicContact CG-CB 4.46Å; E642-R656 PolarHBondContact N-O 3.46Å; E642-R656 IonicContact OE1-CZ 2.77Å; E642-R656 VanDerWaalsContact OE1-CZ 3.27Å; E642-R656 IonicContact OE1-NE 2.71Å; E642-R656 IonicContact OE1-NH1 3.61Å; E642-R656 PolarHBondContact OE1-NH1 2.81Å; E642-R656 VanDerWaalsContact OE2-CD 3.3Å; E642-R656 WeakPolarHBondContact OE2-CD 3.41Å; E642-R656 IonicContact OE2-CZ 3.34Å; E642-R656 IonicContact OE2-NE 3.46Å; E642-R656 IonicContact OE2-NH1 3.65Å; E642-R656 PolarHBondContact OE2-NH1 3.43Å |
| 643 | R | 90.4 | Very high | 87.3 | Confident | 221 Ų | 221 | 71.6 Ų | 71.6 | 83% | 0.834 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | -48.6 | -174.3 | -69 | -175.5 | 180 | -178.7 | 0.4 | 111.4 | K655 | R643-K655 PolarHBondContact O-NZ 3.11Å |
| 644 | E | 92 | Very high | 87.7 | Confident | 143 Ų | 143 | 68.8 Ų | 68.8 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 145 | -173.8 | -60.9 | -44.8 | 120.8 | 0 | 0 | 113.3 | ||
| 645 | P | 92.3 | Very high | 88 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 131.8 | 173.9 | 32.9 | -33 | 0 | 0 | 0 | 111 | G647 V653 V654 | P645-G647 VanDerWaalsContact C-N 3.28Å; P645-V653 HydrophobicContact CB-CG1 3.49Å; P645-V653 VanDerWaalsContact CB-CG1 3.49Å; P645-V654 CarbonylContact C-O 3.54Å; P645-V654 WeakPolarHBondContact CA-O 3.35Å |
| 646 | I | 92 | Very high | 88.3 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 44% | 0.436 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -14.3 | 171.1 | 62.7 | 174.7 | 0 | 0 | 0 | 112.3 | V654 R656 Y713 | I646-V654 HydrophobicContact CD1-CG1 3.88Å; I646-V654 HydrophobicContact CG1-CB 4.13Å; I646-V654 HydrophobicContact CG1-CG1 3.79Å; I646-V654 WeakPolarHBondContact CG1-O 3.39Å; I646-V654 PolarHBondContact N-O 3.01Å; I646-R656 HydrophobicContact CD1-CB 4.36Å; I646-R656 HydrophobicContact CG2-CB 3.87Å; I646-Y713 HydrophobicContact CD1-CD2 4.25Å; I646-Y713 HydrophobicContact CD1-CE2 3.77Å |
| 647 | G | 85.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 154.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P645 V654 | P645-G647 VanDerWaalsContact C-N 3.28Å; G647-V654 PolarHBondContact N-O 3.37Å; G647-V654 VanDerWaalsContact N-O 3.12Å; G647-V654 PolarHBondContact O-N 2.91Å |
| 648 | K | 84.3 | Confident | 88.6 | Confident | 170 Ų | 170 | 72 Ų | 72 | 74% | 0.739 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127 | 168.5 | -63.3 | -178 | -176.9 | 176.5 | 0 | 107.5 | V653 | K648-V653 HydrophobicContact CG-CG2 4.46Å |
| 649 | G | 72.9 | Confident | 88.6 | Confident | 49 Ų | 49 | 69 Ų | 69 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F651 G652 | G649-F651 PolarHBondContact O-N 3.35Å; G649-F651 VanDerWaalsContact O-N 3.1Å; G649-G652 PolarHBondContact N-O 2.85Å; G649-G652 PolarHBondContact O-N 2.92Å |
| 650 | Q | 68.7 | Low | 88.3 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.1 | -179.1 | -179.7 | 175.3 | -88.2 | 0 | 0 | 114.3 | K801 | Q650-K801 HydrophobicContact CG-CB 3.99Å; Q650-K801 HydrophobicContact CG-CD 4.23Å; Q650-K801 HydrophobicContact CG-CG 3.89Å; Q650-K801 PolarHBondContact NE2-O 3.04Å; Q650-K801 PolarHBondContact OE1-O 3.01Å |
| 651 | F | 70.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11.7 | -177.9 | -57.3 | -75.4 | 0 | 0 | 0 | 113.6 | G649 M669 V670 M785 A786 L789 | G649-F651 PolarHBondContact O-N 3.35Å; G649-F651 VanDerWaalsContact O-N 3.1Å; F651-M669 HydrophobicContact CB-CE 4.14Å; F651-M669 HydrophobicContact CB-SD 4.4Å; F651-M669 WeakPolarHBondContact O-CA 3.42Å; F651-V670 PolarHBondContact O-N 2.93Å; F651-V670 VanDerWaalsContact O-N 3.11Å; F651-M785 HydrophobicContact CB-CE 4.45Å; F651-A786 HydrophobicContact CZ-CB 4.31Å; F651-L789 HydrophobicContact CD1-CD2 4.15Å; F651-L789 HydrophobicContact CE1-CD1 4.14Å; F651-L789 HydrophobicContact CE1-CD2 3.94Å; F651-L789 HydrophobicContact CE1-CG 4.19Å |
| 652 | G | 81.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.2 | -159.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G649 Q668 | G649-G652 PolarHBondContact N-O 2.85Å; G649-G652 PolarHBondContact O-N 2.92Å; G652-Q668 CarbonylContact C-O 3.48Å; G652-Q668 VanDerWaalsContact CA-O 3.3Å; G652-Q668 WeakPolarHBondContact CA-O 3.41Å |
| 653 | V | 90.9 | Very high | 87.3 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.6 | -172.6 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | P645 K648 K655 Q668 | P645-V653 HydrophobicContact CB-CG1 3.49Å; P645-V653 VanDerWaalsContact CB-CG1 3.49Å; K648-V653 HydrophobicContact CG-CG2 4.46Å; V653-K655 HydrophobicContact CG1-CG 4.25Å; V653-Q668 PolarHBondContact N-O 3.25Å; V653-Q668 PolarHBondContact O-N 3.01Å |
| 654 | V | 93.7 | Very high | 87.5 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.3 | 173.3 | -167.6 | 0 | 0 | 0 | 0 | 108.8 | P645 I646 G647 A665 V666 K667 | P645-V654 CarbonylContact C-O 3.54Å; P645-V654 WeakPolarHBondContact CA-O 3.35Å; I646-V654 HydrophobicContact CD1-CG1 3.88Å; I646-V654 HydrophobicContact CG1-CB 4.13Å; I646-V654 HydrophobicContact CG1-CG1 3.79Å; I646-V654 WeakPolarHBondContact CG1-O 3.39Å; I646-V654 PolarHBondContact N-O 3.01Å; G647-V654 PolarHBondContact N-O 3.37Å; G647-V654 VanDerWaalsContact N-O 3.12Å; G647-V654 PolarHBondContact O-N 2.91Å; V654-A665 HydrophobicContact CG1-CB 4.47Å; V654-V666 CarbonylContact C-O 3.59Å; V654-V666 WeakPolarHBondContact CA-O 3.29Å; V654-K667 HydrophobicContact CG2-CB 4.44Å; V654-K667 HydrophobicContact CG2-CG 4.16Å |
| 655 | K | 95.4 | Very high | 87.7 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 159.8 | 171.4 | -59.9 | -154.2 | 175.9 | -159.8 | 0 | 110.5 | R643 V653 V666 Q668 | R643-K655 PolarHBondContact O-NZ 3.11Å; V653-K655 HydrophobicContact CG1-CG 4.25Å; K655-V666 PolarHBondContact N-O 2.96Å; K655-V666 PolarHBondContact O-N 3.14Å; K655-Q668 VanDerWaalsContact CE-OE1 3.28Å |
| 656 | R | 95.5 | Very high | 87.8 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 150.7 | 164.7 | -176.3 | 169.6 | 174.8 | -121.4 | 4.4 | 109.3 | E642 I646 Y713 | E642-R656 HydrophobicContact CB-CB 4.46Å; E642-R656 WeakPolarHBondContact CB-O 3.46Å; E642-R656 VanDerWaalsContact CD-NH1 3.3Å; E642-R656 HydrophobicContact CG-CB 4.46Å; E642-R656 PolarHBondContact N-O 3.46Å; E642-R656 IonicContact OE1-CZ 2.77Å; E642-R656 VanDerWaalsContact OE1-CZ 3.27Å; E642-R656 IonicContact OE1-NE 2.71Å; E642-R656 IonicContact OE1-NH1 3.61Å; E642-R656 PolarHBondContact OE1-NH1 2.81Å; E642-R656 VanDerWaalsContact OE2-CD 3.3Å; E642-R656 WeakPolarHBondContact OE2-CD 3.41Å; E642-R656 IonicContact OE2-CZ 3.34Å; E642-R656 IonicContact OE2-NE 3.46Å; E642-R656 IonicContact OE2-NH1 3.65Å; E642-R656 PolarHBondContact OE2-NH1 3.43Å; I646-R656 HydrophobicContact CD1-CB 4.36Å; I646-R656 HydrophobicContact CG2-CB 3.87Å; R656-Y713 HydrophobicContact CB-CD2 4.44Å; R656-Y713 HydrophobicContact CB-CE2 4.15Å; R656-Y713 VanDerWaalsContact CD-CZ 3.48Å; R656-Y713 HydrophobicContact CG-CD2 3.9Å; R656-Y713 HydrophobicContact CG-CE2 3.77Å; R656-Y713 HydrophobicContact CG-CG 4.48Å |
| 657 | G | 94.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | -175 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | H640 V664 | H640-G657 CarbonylContact O-C 3.58Å; H640-G657 WeakPolarHBondContact O-CA 3.39Å; G657-V664 PolarHBondContact N-O 3.2Å; G657-V664 PolarHBondContact O-N 3.38Å |
| 658 | K | 94.3 | Very high | 88.1 | Confident | 99 Ų | 99 | 48.2 Ų | 48.2 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.7 | 169.3 | -62.2 | -178 | -176.6 | 179.9 | 0 | 109.4 | H640 I662 | H640-K658 PolarHBondContact N-O 3.43Å; H640-K658 PolarHBondContact O-N 2.98Å; K658-I662 CarbonylContact C-O 3.58Å; K658-I662 VanDerWaalsContact CA-O 3.28Å; K658-I662 WeakPolarHBondContact CA-O 3.38Å |
| 659 | F | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.9 | 170.3 | -176.7 | -90.1 | 0 | 0 | 0 | 107.7 | M627 L634 E638 L639 N661 I662 V664 | M627-F659 HydrophobicContact CB-CE1 4.49Å; M627-F659 HydrophobicContact CE-CD1 3.65Å; M627-F659 HydrophobicContact CE-CE1 4.39Å; M627-F659 HydrophobicContact CG-CD1 4.3Å; M627-F659 HydrophobicContact CG-CE1 4.23Å; L634-F659 HydrophobicContact CB-CE2 3.8Å; L634-F659 HydrophobicContact CB-CZ 3.97Å; L634-F659 HydrophobicContact CD2-CE1 4.11Å; L634-F659 HydrophobicContact CD2-CE2 4.45Å; L634-F659 HydrophobicContact CD2-CZ 3.8Å; L634-F659 HydrophobicContact CG-CE2 4.49Å; L634-F659 HydrophobicContact CG-CZ 4.32Å; E638-F659 HydrophobicContact CB-CD2 4.03Å; E638-F659 HydrophobicContact CB-CE2 3.61Å; E638-F659 HydrophobicContact CB-CZ 4.07Å; E638-F659 WeakPolarHBondContact OE2-CZ 3.44Å; L639-F659 HydrophobicContact CB-CD2 4.14Å; L639-F659 HydrophobicContact CD1-CB 4.05Å; L639-F659 HydrophobicContact CD1-CD2 4.22Å; F659-N661 VanDerWaalsContact C-N 3.28Å; F659-N661 PolarHBondContact O-N 3.24Å; F659-I662 PolarHBondContact N-O 3.39Å; F659-I662 WeakPolarHBondContact O-CB 3.44Å; F659-I662 PolarHBondContact O-N 2.87Å; F659-V664 HydrophobicContact CB-CG1 4.13Å; F659-V664 HydrophobicContact CB-CG2 4.22Å |
| 660 | R | 86.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 18% | 0.181 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 52.9 | -171.9 | -59.7 | -177.3 | -170 | 135.7 | 16.7 | 112.4 | V354 R355 E631 E638 I662 | V354-R660 HydrophobicContact CG1-CB 4.05Å; V354-R660 HydrophobicContact CG1-CG 4.48Å; V354-R660 WeakPolarHBondContact O-CD 3.48Å; R355-R660 VanDerWaalsContact NH2-NH2 3.11Å; E631-R660 IonicContact OE1-NH1 3.96Å; E631-R660 PolarHBondContact OE1-NH1 3.43Å; E631-R660 IonicContact OE2-CZ 3.06Å; E631-R660 VanDerWaalsContact OE2-CZ 3.23Å; E631-R660 IonicContact OE2-NH1 2.62Å; E631-R660 PolarHBondContact OE2-NH1 3.17Å; E631-R660 IonicContact OE2-NH2 3.58Å; E631-R660 PolarHBondContact OE2-NH2 3.16Å; E638-R660 HydrophobicContact CB-CG 4.39Å; E638-R660 VanDerWaalsContact CD-NE 3.3Å; E638-R660 VanDerWaalsContact CD-NH2 3.33Å; E638-R660 IonicContact OE1-CZ 3.33Å; E638-R660 VanDerWaalsContact OE1-CZ 3.3Å; E638-R660 IonicContact OE1-NE 2.9Å; E638-R660 PolarHBondContact OE1-NE 2.79Å; E638-R660 IonicContact OE1-NH2 2.97Å; E638-R660 PolarHBondContact OE1-NH2 3.31Å; E638-R660 VanDerWaalsContact OE1-NH2 3.1Å; E638-R660 IonicContact OE2-CZ 3.49Å; E638-R660 IonicContact OE2-NE 2.81Å; E638-R660 PolarHBondContact OE2-NE 2.92Å; E638-R660 IonicContact OE2-NH2 2.71Å; E638-R660 PolarHBondContact OE2-NH2 3.12Å; R660-I662 PolarHBondContact O-N 3.43Å |
| 661 | N | 83.1 | Confident | 89.1 | Confident | 139 Ų | 139 | 43 Ų | 43 | 74% | 0.743 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -14.5 | -173.7 | -66.2 | -42.5 | 0 | 0 | 0 | 118 | F659 | F659-N661 VanDerWaalsContact C-N 3.28Å; F659-N661 PolarHBondContact O-N 3.24Å |
| 662 | I | 86.3 | Confident | 89.3 | Confident | 54 Ų | 54 | 45 Ų | 45 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.8 | 176.4 | -65.7 | 167.7 | 0 | 0 | 0 | 109.9 | V354 M627 K658 F659 R660 V664 | V354-I662 HydrophobicContact CG1-CD1 4.2Å; V354-I662 HydrophobicContact CG2-CD1 3.71Å; M627-I662 HydrophobicContact CE-CB 3.97Å; M627-I662 HydrophobicContact CE-CD1 3.57Å; M627-I662 HydrophobicContact CE-CG1 4.34Å; M627-I662 HydrophobicContact CE-CG2 4.08Å; K658-I662 CarbonylContact C-O 3.58Å; K658-I662 VanDerWaalsContact CA-O 3.28Å; K658-I662 WeakPolarHBondContact CA-O 3.38Å; F659-I662 PolarHBondContact N-O 3.39Å; F659-I662 WeakPolarHBondContact O-CB 3.44Å; F659-I662 PolarHBondContact O-N 2.87Å; R660-I662 PolarHBondContact O-N 3.43Å; I662-V664 PolarHBondContact O-N 2.89Å |
| 663 | P | 92 | Very high | 88.7 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.3 | 176.2 | -21.1 | 33.6 | 0 | 0 | 0 | 112.4 | ||
| 664 | V | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.9 | -177.2 | -66.8 | 0 | 0 | 0 | 0 | 112 | L639 G657 F659 I662 V666 F698 I710 T711 | L639-V664 HydrophobicContact CD1-CG2 3.89Å; G657-V664 PolarHBondContact N-O 3.2Å; G657-V664 PolarHBondContact O-N 3.38Å; F659-V664 HydrophobicContact CB-CG1 4.13Å; F659-V664 HydrophobicContact CB-CG2 4.22Å; I662-V664 PolarHBondContact O-N 2.89Å; V664-V666 HydrophobicContact CG2-CG2 3.83Å; V664-F698 HydrophobicContact CG1-CD2 3.88Å; V664-F698 HydrophobicContact CG1-CE2 3.97Å; V664-I710 HydrophobicContact CB-CG2 3.78Å; V664-I710 HydrophobicContact CG1-CG2 3.74Å; V664-I710 HydrophobicContact CG2-CG2 4.1Å; V664-T711 WeakPolarHBondContact CA-O 3.23Å |
| 665 | A | 95.5 | Very high | 86.8 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.5 | 161 | 0 | 0 | 0 | 0 | 0 | 108.9 | V654 T711 Y713 | V654-A665 HydrophobicContact CG1-CB 4.47Å; A665-T711 PolarHBondContact N-O 2.76Å; A665-T711 PolarHBondContact O-N 2.7Å; A665-Y713 HydrophobicContact CB-CD2 4.48Å |
| 666 | V | 94.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 105.2 | -172.4 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L639 L641 V654 K655 V664 Q668 M708 I709 I710 | L639-V666 HydrophobicContact CD1-CG2 4.05Å; L639-V666 HydrophobicContact CD2-CG1 4.33Å; L639-V666 HydrophobicContact CD2-CG2 4.43Å; L641-V666 HydrophobicContact CD2-CB 3.9Å; L641-V666 HydrophobicContact CD2-CG1 3.84Å; L641-V666 HydrophobicContact CD2-CG2 3.62Å; V654-V666 CarbonylContact C-O 3.59Å; V654-V666 WeakPolarHBondContact CA-O 3.29Å; K655-V666 PolarHBondContact N-O 2.96Å; K655-V666 PolarHBondContact O-N 3.14Å; V664-V666 HydrophobicContact CG2-CG2 3.83Å; V666-Q668 HydrophobicContact CG1-CG 4.32Å; V666-Q668 PolarHBondContact O-N 2.76Å; V666-M708 HydrophobicContact CG1-CB 3.9Å; V666-M708 HydrophobicContact CG1-CG 4.5Å; V666-M708 HydrophobicContact CG1-SD 4.11Å; V666-I709 WeakPolarHBondContact CA-O 3.28Å; V666-I710 HydrophobicContact CB-CD1 4.24Å; V666-I710 HydrophobicContact CG1-CD1 3.78Å; V666-I710 HydrophobicContact CG2-CD1 3.81Å |
| 667 | K | 92 | Very high | 84.9 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 99.5 | 179.9 | -171.5 | 173.5 | -175.2 | -179.6 | 0 | 109.3 | V654 M669 M708 I709 D782 M785 | V654-K667 HydrophobicContact CG2-CB 4.44Å; V654-K667 HydrophobicContact CG2-CG 4.16Å; K667-M669 HydrophobicContact CD-SD 4.25Å; K667-M669 HydrophobicContact CG-SD 4.01Å; K667-M669 PolarHBondContact O-N 2.78Å; K667-M708 WeakPolarHBondContact O-CA 3.1Å; K667-I709 HydrophobicContact CB-CB 4.22Å; K667-I709 PolarHBondContact N-O 3.17Å; K667-I709 PolarHBondContact O-N 3.26Å; K667-D782 IonicContact NZ-OD1 3.93Å; K667-D782 PolarHBondContact NZ-OD1 3.35Å; K667-D782 IonicContact NZ-OD2 3.95Å; K667-D782 PolarHBondContact NZ-OD2 2.85Å; K667-M785 HydrophobicContact CD-CE 4.06Å; K667-M785 HydrophobicContact CD-SD 4.19Å; K667-M785 PolarHBondContact NZ-SD 3.27Å |
| 668 | Q | 92 | Very high | 83.7 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 111.7 | 175 | -56 | -166.9 | -78.5 | 0 | 0 | 108.5 | G652 V653 K655 V666 P706 M708 | G652-Q668 CarbonylContact C-O 3.48Å; G652-Q668 VanDerWaalsContact CA-O 3.3Å; G652-Q668 WeakPolarHBondContact CA-O 3.41Å; V653-Q668 PolarHBondContact N-O 3.25Å; V653-Q668 PolarHBondContact O-N 3.01Å; K655-Q668 VanDerWaalsContact CE-OE1 3.28Å; V666-Q668 HydrophobicContact CG1-CG 4.32Å; V666-Q668 PolarHBondContact O-N 2.76Å; Q668-P706 HydrophobicContact CB-CG 4.1Å; Q668-M708 HydrophobicContact CG-CG 4.25Å; Q668-M708 HydrophobicContact CG-SD 4.13Å |
| 669 | M | 86.1 | Confident | 82.7 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 148.1 | -172.5 | -62.4 | -61.5 | -72.8 | 0 | 0 | 111.7 | F651 K667 E671 M674 P706 I707 I709 M785 | F651-M669 HydrophobicContact CB-CE 4.14Å; F651-M669 HydrophobicContact CB-SD 4.4Å; F651-M669 WeakPolarHBondContact O-CA 3.42Å; K667-M669 HydrophobicContact CD-SD 4.25Å; K667-M669 HydrophobicContact CG-SD 4.01Å; K667-M669 PolarHBondContact O-N 2.78Å; M669-E671 PolarHBondContact O-N 3.21Å; M669-M674 HydrophobicContact CB-CE 3.85Å; M669-M674 HydrophobicContact CE-CE 4.22Å; M669-M674 HydrophobicContact CE-SD 3.51Å; M669-M674 VanDerWaalsContact CE-SD 3.51Å; M669-M674 HydrophobicContact CG-CE 3.95Å; M669-M674 HydrophobicContact CG-SD 4.47Å; M669-P706 VanDerWaalsContact O-CB 3.27Å; M669-P706 WeakPolarHBondContact O-CB 3.31Å; M669-I707 WeakPolarHBondContact CB-O 3.35Å; M669-I707 HydrophobicContact CG-CG2 4.46Å; M669-I707 PolarHBondContact N-O 3.11Å; M669-I709 HydrophobicContact CE-CD1 4.35Å; M669-I709 HydrophobicContact CG-CD1 4.12Å; M669-I709 HydrophobicContact CG-CG1 4.05Å; M669-I709 HydrophobicContact SD-CD1 3.65Å; M669-I709 HydrophobicContact SD-CG1 4.14Å; M669-M785 HydrophobicContact CE-CE 3.39Å; M669-M785 HydrophobicContact SD-CE 3.61Å |
| 670 | V | 81.1 | Confident | 82.1 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -71.4 | 125.9 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | F651 A673 | F651-V670 PolarHBondContact O-N 2.93Å; F651-V670 VanDerWaalsContact O-N 3.11Å; V670-A673 HydrophobicContact CB-CB 3.79Å; V670-A673 HydrophobicContact CG1-CB 4.11Å; V670-A673 VanDerWaalsContact O-CB 3.29Å; V670-A673 WeakPolarHBondContact O-CB 3.27Å; V670-A673 PolarHBondContact O-N 3.5Å |
| 671 | E | 80.9 | Confident | 81.3 | Confident | 114 Ų | 114 | 42.8 Ų | 42.8 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 140.3 | 178.1 | -57.1 | -165.7 | 152 | 0 | 0 | 111 | M669 A673 R705 P706 | M669-E671 PolarHBondContact O-N 3.21Å; E671-A673 PolarHBondContact O-N 2.81Å; E671-A673 VanDerWaalsContact O-N 3.1Å; E671-R705 WeakPolarHBondContact OE1-CB 3.15Å; E671-R705 WeakPolarHBondContact OE1-CD 3.34Å; E671-P706 HydrophobicContact CG-CB 3.88Å; E671-P706 WeakPolarHBondContact OE1-CA 3.38Å |
| 672 | G | 74.1 | Confident | 80.5 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 57% | 0.567 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -0.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M674 L790 | G672-M674 VanDerWaalsContact C-N 3.29Å; G672-M674 PolarHBondContact O-N 3.23Å; G672-L790 VanDerWaalsContact O-CD1 3.29Å; G672-L790 WeakPolarHBondContact O-CD1 3.44Å |
| 673 | A | 68.5 | Low | 80 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -78.5 | -11.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V670 E671 | V670-A673 HydrophobicContact CB-CB 3.79Å; V670-A673 HydrophobicContact CG1-CB 4.11Å; V670-A673 VanDerWaalsContact O-CB 3.29Å; V670-A673 WeakPolarHBondContact O-CB 3.27Å; V670-A673 PolarHBondContact O-N 3.5Å; E671-A673 PolarHBondContact O-N 2.81Å; E671-A673 VanDerWaalsContact O-N 3.1Å |
| 674 | M | 71 | Confident | 79.1 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -144.4 | 156.7 | -175.7 | 63.9 | -175.7 | -179.2 | 0 | 0 | 112.7 | M669 G672 E676 F679 I707 F788 | M669-M674 HydrophobicContact CB-CE 3.85Å; M669-M674 HydrophobicContact CE-CE 4.22Å; M669-M674 HydrophobicContact CE-SD 3.51Å; M669-M674 VanDerWaalsContact CE-SD 3.51Å; M669-M674 HydrophobicContact CG-CE 3.95Å; M669-M674 HydrophobicContact CG-SD 4.47Å; G672-M674 VanDerWaalsContact C-N 3.29Å; G672-M674 PolarHBondContact O-N 3.23Å; M674-E676 PolarHBondContact O-N 3.19Å; M674-F679 HydrophobicContact CE-CB 4.46Å; M674-F679 HydrophobicContact CE-CD1 3.58Å; M674-F679 HydrophobicContact CE-CE1 4.14Å; M674-F679 HydrophobicContact CE-CG 3.99Å; M674-F679 HydrophobicContact SD-CB 3.88Å; M674-F679 HydrophobicContact SD-CD1 3.84Å; M674-F679 HydrophobicContact SD-CD2 4.07Å; M674-F679 HydrophobicContact SD-CG 3.58Å; M674-F679 VanDerWaalsContact SD-CG 3.58Å; M674-I707 HydrophobicContact CE-CB 4.23Å; M674-I707 HydrophobicContact CE-CD1 4.06Å; M674-I707 HydrophobicContact CE-CG2 4.09Å; M674-F788 CarbonylContact C-O 3.59Å; M674-F788 WeakPolarHBondContact CA-O 3.32Å; M674-F788 HydrophobicContact CB-CB 3.94Å; M674-F788 WeakPolarHBondContact CB-O 3.31Å |
| 675 | N | 73.4 | Confident | 77.9 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | trans | -71.2 | 110.3 | 163.9 | -175.1 | -54.8 | 0 | 0 | 0 | 108.7 | D677 D678 F679 F788 L790 | N675-D677 PolarHBondContact OD1-N 2.92Å; N675-D678 HydrophobicContact CB-CB 4.03Å; N675-D678 PolarHBondContact ND2-OD2 3.3Å; N675-D678 WeakPolarHBondContact OD1-CB 3.14Å; N675-D678 PolarHBondContact OD1-N 2.85Å; N675-D678 PolarHBondContact OD1-OD2 2.74Å; N675-F679 VanDerWaalsContact O-CB 3.3Å; N675-F679 WeakPolarHBondContact O-CB 3.38Å; N675-F679 PolarHBondContact O-N 3.14Å; N675-F788 PolarHBondContact N-O 2.99Å; N675-L790 HydrophobicContact CB-CD2 3.86Å | ||
| 676 | E | 75.9 | Confident | 77.1 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.5 | -41.2 | -173.1 | -56.4 | -165.6 | 162.2 | 0 | 0 | 112.7 | M674 F679 I680 R705 I707 | M674-E676 PolarHBondContact O-N 3.19Å; E676-F679 PolarHBondContact O-N 3.28Å; E676-I680 HydrophobicContact CB-CD1 4.37Å; E676-I680 WeakPolarHBondContact O-CB 3.5Å; E676-I680 WeakPolarHBondContact O-CD1 3.33Å; E676-I680 WeakPolarHBondContact O-CG1 3.38Å; E676-I680 PolarHBondContact O-N 2.81Å; E676-R705 IonicContact OE1-CZ 3.08Å; E676-R705 IonicContact OE1-NH1 3.08Å; E676-R705 PolarHBondContact OE1-NH1 3.17Å; E676-R705 IonicContact OE1-NH2 2.72Å; E676-R705 IonicContact OE2-CZ 2.79Å; E676-R705 VanDerWaalsContact OE2-CZ 3.28Å; E676-R705 IonicContact OE2-NH1 2.98Å; E676-R705 PolarHBondContact OE2-NH1 2.66Å; E676-R705 IonicContact OE2-NH2 3.4Å; E676-R705 PolarHBondContact OE2-NH2 2.84Å; E676-I707 HydrophobicContact CB-CD1 4.2Å; E676-I707 HydrophobicContact CG-CD1 4.03Å |
| 677 | D | 74.8 | Confident | 76.1 | Confident | 115 Ų | 115 | 35.9 Ų | 35.9 | 62% | 0.615 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -57.1 | -54.1 | 176.1 | -84.8 | -11.6 | 0 | 0 | 0 | 110 | N675 F679 E681 | N675-D677 PolarHBondContact OD1-N 2.92Å; D677-F679 PolarHBondContact O-N 3.48Å; D677-E681 WeakPolarHBondContact O-CB 3.23Å; D677-E681 PolarHBondContact O-N 3.18Å; D677-E681 VanDerWaalsContact O-N 3.12Å |
| 678 | D | 70.2 | Confident | 75.4 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -26.1 | 178.2 | -70.9 | -46.7 | 0 | 0 | 0 | 113.2 | K22 N675 E681 E682 F788 | K22-D678 HydrophobicContact CD-CB 4.47Å; K22-D678 WeakPolarHBondContact CD-OD1 3.35Å; K22-D678 WeakPolarHBondContact CE-OD1 3.36Å; K22-D678 IonicContact NZ-OD1 3.23Å; K22-D678 PolarHBondContact NZ-OD1 2.86Å; K22-D678 IonicContact NZ-OD2 3.12Å; K22-D678 PolarHBondContact NZ-OD2 3.28Å; N675-D678 HydrophobicContact CB-CB 4.03Å; N675-D678 PolarHBondContact ND2-OD2 3.3Å; N675-D678 WeakPolarHBondContact OD1-CB 3.14Å; N675-D678 PolarHBondContact OD1-N 2.85Å; N675-D678 PolarHBondContact OD1-OD2 2.74Å; D678-E681 VanDerWaalsContact O-CB 3.32Å; D678-E681 WeakPolarHBondContact O-CB 3.42Å; D678-E681 WeakPolarHBondContact O-CG 3.28Å; D678-E682 PolarHBondContact O-N 3.4Å; D678-F788 HydrophobicContact CB-CD1 3.87Å; D678-F788 HydrophobicContact CB-CE1 4.47Å; D678-F788 WeakPolarHBondContact O-CD1 3.31Å; D678-F788 WeakPolarHBondContact O-CE1 3.15Å |
| 679 | F | 73.9 | Confident | 74.8 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -82.1 | -50.6 | 179 | 167.4 | -100.1 | 0 | 0 | 0 | 112.6 | M674 N675 E676 D677 E681 E682 A683 V700 I707 I709 F788 | M674-F679 HydrophobicContact CE-CB 4.46Å; M674-F679 HydrophobicContact CE-CD1 3.58Å; M674-F679 HydrophobicContact CE-CE1 4.14Å; M674-F679 HydrophobicContact CE-CG 3.99Å; M674-F679 HydrophobicContact SD-CB 3.88Å; M674-F679 HydrophobicContact SD-CD1 3.84Å; M674-F679 HydrophobicContact SD-CD2 4.07Å; M674-F679 HydrophobicContact SD-CG 3.58Å; M674-F679 VanDerWaalsContact SD-CG 3.58Å; N675-F679 VanDerWaalsContact O-CB 3.3Å; N675-F679 WeakPolarHBondContact O-CB 3.38Å; N675-F679 PolarHBondContact O-N 3.14Å; E676-F679 PolarHBondContact O-N 3.28Å; D677-F679 PolarHBondContact O-N 3.48Å; F679-E681 PolarHBondContact O-N 2.76Å; F679-E682 PolarHBondContact O-N 2.72Å; F679-A683 HydrophobicContact CE2-CB 4.28Å; F679-A683 HydrophobicContact CZ-CB 4.04Å; F679-A683 WeakPolarHBondContact O-CB 3.39Å; F679-A683 PolarHBondContact O-N 2.74Å; F679-V700 HydrophobicContact CE1-CG1 4.34Å; F679-V700 HydrophobicContact CZ-CG1 4.34Å; F679-I707 HydrophobicContact CD1-CG2 4.49Å; F679-I707 HydrophobicContact CE1-CG2 4.01Å; F679-I709 HydrophobicContact CE1-CD1 4.35Å; F679-I709 HydrophobicContact CE1-CG1 4.34Å; F679-I709 HydrophobicContact CE2-CD1 3.71Å; F679-I709 HydrophobicContact CZ-CD1 3.36Å; F679-I709 HydrophobicContact CZ-CG1 3.67Å; F679-F788 HydrophobicContact CB-CB 4.13Å; F679-F788 HydrophobicContact CB-CD1 4.32Å; F679-F788 HydrophobicContact CB-CD2 4.27Å; F679-F788 HydrophobicContact CB-CG 3.92Å; F679-F788 AromaticContact CD2-CD2 3.76Å; F679-F788 HydrophobicContact CD2-CD2 3.76Å; F679-F788 HydrophobicContact CD2-CE2 4.17Å; F679-F788 HydrophobicContact CD2-CG 4.28Å |
| 680 | I | 76.8 | Confident | 74.6 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.1 | -42.8 | 177 | -69.7 | 161.2 | 0 | 0 | 0 | 109.3 | F632 E676 K684 L702 | F632-I680 HydrophobicContact CE1-CG2 4.32Å; E676-I680 HydrophobicContact CB-CD1 4.37Å; E676-I680 WeakPolarHBondContact O-CB 3.5Å; E676-I680 WeakPolarHBondContact O-CD1 3.33Å; E676-I680 WeakPolarHBondContact O-CG1 3.38Å; E676-I680 PolarHBondContact O-N 2.81Å; I680-K684 HydrophobicContact CG2-CD 4.49Å; I680-K684 WeakPolarHBondContact O-CG 3.37Å; I680-K684 PolarHBondContact O-N 2.86Å; I680-L702 HydrophobicContact CD1-CD1 3.9Å; I680-L702 HydrophobicContact CD1-CD2 4.08Å; I680-L702 HydrophobicContact CG1-CD1 3.91Å; I680-L702 HydrophobicContact CG1-CD2 3.78Å; I680-L702 HydrophobicContact CG2-CD1 3.79Å |
| 681 | E | 69.1 | Low | 74.8 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -44.5 | -68.2 | 163 | 156.3 | 157.6 | -6 | 0 | 0 | 114.2 | K22 L23 F24 G25 D677 D678 F679 A683 K684 | K22-E681 WeakPolarHBondContact CB-OE2 3.21Å; L23-E681 HydrophobicContact CB-CG 3.81Å; L23-E681 PolarHBondContact N-OE2 3.29Å; F24-E681 HydrophobicContact CB-CB 3.76Å; F24-E681 HydrophobicContact CB-CG 3.71Å; F24-E681 HydrophobicContact CD2-CB 4.22Å; F24-E681 HydrophobicContact CD2-CG 4.21Å; F24-E681 WeakPolarHBondContact CD2-O 3.19Å; F24-E681 HydrophobicContact CG-CB 4.35Å; F24-E681 HydrophobicContact CG-CG 4.45Å; F24-E681 PolarHBondContact N-OE2 2.66Å; G25-E681 WeakPolarHBondContact CA-OE1 3.37Å; G25-E681 WeakPolarHBondContact CA-OE2 3.09Å; G25-E681 PolarHBondContact N-OE1 3.42Å; G25-E681 PolarHBondContact N-OE2 3.1Å; D677-E681 WeakPolarHBondContact O-CB 3.23Å; D677-E681 PolarHBondContact O-N 3.18Å; D677-E681 VanDerWaalsContact O-N 3.12Å; D678-E681 VanDerWaalsContact O-CB 3.32Å; D678-E681 WeakPolarHBondContact O-CB 3.42Å; D678-E681 WeakPolarHBondContact O-CG 3.28Å; F679-E681 PolarHBondContact O-N 2.76Å; E681-A683 VanDerWaalsContact C-N 3.28Å; E681-A683 PolarHBondContact O-N 2.7Å; E681-K684 WeakPolarHBondContact O-CB 3.29Å; E681-K684 PolarHBondContact O-N 3.1Å |
| 682 | E | 66.7 | Low | 75 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.3 | -28.2 | -169.1 | -154.1 | 141.5 | 126.3 | 0 | 0 | 112.3 | L23 D678 F679 K684 M686 F756 R787 F788 | L23-E682 HydrophobicContact CB-CB 4.23Å; L23-E682 HydrophobicContact CB-CG 4.18Å; L23-E682 HydrophobicContact CD2-CB 4.38Å; L23-E682 HydrophobicContact CD2-CG 4.09Å; L23-E682 WeakPolarHBondContact CD2-O 3.49Å; D678-E682 PolarHBondContact O-N 3.4Å; F679-E682 PolarHBondContact O-N 2.72Å; E682-K684 VanDerWaalsContact C-N 3.26Å; E682-K684 PolarHBondContact O-N 3.14Å; E682-M686 HydrophobicContact CG-SD 4.44Å; E682-M686 WeakPolarHBondContact O-CG 3.14Å; E682-M686 PolarHBondContact O-N 3.17Å; E682-M686 VanDerWaalsContact O-N 3.11Å; E682-F756 HydrophobicContact CG-CE2 4.26Å; E682-R787 WeakPolarHBondContact OE1-CD 3.49Å; E682-R787 IonicContact OE1-CZ 3.58Å; E682-R787 IonicContact OE1-NE 3.52Å; E682-R787 IonicContact OE1-NH1 2.74Å; E682-R787 PolarHBondContact OE1-NH1 3.46Å; E682-R787 IonicContact OE2-CZ 3.51Å; E682-R787 IonicContact OE2-NE 2.67Å; E682-R787 IonicContact OE2-NH1 2.77Å; E682-R787 PolarHBondContact OE2-NH1 3.36Å; E682-F788 HydrophobicContact CB-CE1 3.55Å; E682-F788 HydrophobicContact CB-CE2 4.23Å; E682-F788 HydrophobicContact CB-CZ 3.24Å; E682-F788 HydrophobicContact CG-CE1 4.18Å; E682-F788 HydrophobicContact CG-CZ 3.64Å |
| 683 | A | 76.7 | Confident | 76 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -31.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F632 F679 E681 N685 M686 R687 L697 V700 | F632-A683 VanDerWaalsContact CE2-C 3.46Å; F632-A683 HydrophobicContact CE2-CB 3.77Å; F632-A683 WeakPolarHBondContact CE2-O 3.43Å; F632-A683 HydrophobicContact CZ-CB 3.54Å; F679-A683 HydrophobicContact CE2-CB 4.28Å; F679-A683 HydrophobicContact CZ-CB 4.04Å; F679-A683 WeakPolarHBondContact O-CB 3.39Å; F679-A683 PolarHBondContact O-N 2.74Å; E681-A683 VanDerWaalsContact C-N 3.28Å; E681-A683 PolarHBondContact O-N 2.7Å; A683-N685 PolarHBondContact O-N 3.34Å; A683-M686 PolarHBondContact O-N 2.8Å; A683-R687 PolarHBondContact O-N 2.9Å; A683-L697 HydrophobicContact CB-CD2 4.13Å; A683-L697 WeakPolarHBondContact O-CD2 3.47Å; A683-V700 HydrophobicContact CB-CG1 4.19Å |
| 684 | K | 73.6 | Confident | 77.2 | Confident | 50 Ų | 50 | 29.6 Ų | 29.6 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.3 | -20.6 | -175.2 | -85.4 | 173.7 | -179.6 | 178.1 | 0 | 115.9 | F24 F632 E633 I680 E681 E682 R687 | F24-K684 HydrophobicContact CD2-CB 4.03Å; F24-K684 HydrophobicContact CE1-CD 4.1Å; F24-K684 HydrophobicContact CE2-CB 3.2Å; F24-K684 HydrophobicContact CE2-CD 4.16Å; F24-K684 HydrophobicContact CE2-CG 4.21Å; F24-K684 HydrophobicContact CZ-CB 3.52Å; F24-K684 HydrophobicContact CZ-CD 3.88Å; F24-K684 HydrophobicContact CZ-CG 4.22Å; F632-K684 HydrophobicContact CD1-CD 3.95Å; F632-K684 HydrophobicContact CD1-CG 3.36Å; F632-K684 HydrophobicContact CD2-CG 4.07Å; F632-K684 HydrophobicContact CE1-CD 3.94Å; F632-K684 HydrophobicContact CE1-CG 3.3Å; F632-K684 HydrophobicContact CE2-CG 3.99Å; F632-K684 HydrophobicContact CG-CG 3.75Å; F632-K684 HydrophobicContact CZ-CB 4.44Å; F632-K684 HydrophobicContact CZ-CG 3.61Å; E633-K684 WeakPolarHBondContact OE1-CE 3.43Å; E633-K684 IonicContact OE1-NZ 3.14Å; E633-K684 PolarHBondContact OE1-NZ 3.28Å; I680-K684 HydrophobicContact CG2-CD 4.49Å; I680-K684 WeakPolarHBondContact O-CG 3.37Å; I680-K684 PolarHBondContact O-N 2.86Å; E681-K684 WeakPolarHBondContact O-CB 3.29Å; E681-K684 PolarHBondContact O-N 3.1Å; E682-K684 VanDerWaalsContact C-N 3.26Å; E682-K684 PolarHBondContact O-N 3.14Å; K684-R687 WeakPolarHBondContact O-CG 3.5Å; K684-R687 PolarHBondContact O-NE 3.17Å |
| 685 | N | 69.6 | Low | 78.3 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -113.4 | -11 | 162.2 | -30.9 | -17.8 | 0 | 0 | 0 | 113.8 | L23 A683 R687 F688 | L23-N685 HydrophobicContact CD2-CB 3.45Å; L23-N685 VanDerWaalsContact CD2-CB 3.45Å; L23-N685 VanDerWaalsContact CD2-CG 3.43Å; L23-N685 HydrophobicContact CG-CB 4.13Å; L23-N685 WeakPolarHBondContact CG-ND2 3.3Å; A683-N685 PolarHBondContact O-N 3.34Å; N685-R687 PolarHBondContact O-N 3.03Å; N685-F688 HydrophobicContact CB-CD2 3.8Å; N685-F688 HydrophobicContact CB-CE2 4.45Å; N685-F688 WeakPolarHBondContact O-CB 3.35Å; N685-F688 PolarHBondContact O-N 2.9Å |
| 686 | M | 76.7 | Confident | 79.1 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.059 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.7 | -29.1 | 164.9 | -76.5 | 166.9 | 60.9 | 0 | 0 | 111.3 | E682 A683 F688 L689 L697 F756 F783 | E682-M686 HydrophobicContact CG-SD 4.44Å; E682-M686 WeakPolarHBondContact O-CG 3.14Å; E682-M686 PolarHBondContact O-N 3.17Å; E682-M686 VanDerWaalsContact O-N 3.11Å; A683-M686 PolarHBondContact O-N 2.8Å; M686-F688 PolarHBondContact O-N 3.08Å; M686-L689 HydrophobicContact CG-CD1 4.38Å; M686-L689 WeakPolarHBondContact O-CB 3.37Å; M686-L689 PolarHBondContact O-N 2.94Å; M686-L689 VanDerWaalsContact O-N 3.16Å; M686-L697 HydrophobicContact CB-CD2 3.68Å; M686-F756 HydrophobicContact CG-CE2 3.89Å; M686-F756 HydrophobicContact CG-CZ 3.63Å; M686-F756 HydrophobicContact SD-CZ 4Å; M686-F783 HydrophobicContact CB-CE2 4.3Å; M686-F783 HydrophobicContact CE-CD2 3.94Å; M686-F783 HydrophobicContact CE-CE2 3.99Å; M686-F783 WeakPolarHBondContact CE-O 3.36Å; M686-F783 HydrophobicContact CG-CD2 4.47Å; M686-F783 HydrophobicContact CG-CE2 4.3Å |
| 687 | R | 75.9 | Confident | 79.8 | Confident | 22 Ų | 22 | 24.5 Ų | 24.5 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.2 | 172 | 80.3 | -178.8 | 179.8 | 150.8 | -2.2 | 114.5 | D630 E631 A683 K684 N685 Q696 L697 | D630-R687 IonicContact OD1-NH2 3.52Å; D630-R687 PolarHBondContact OD1-NH2 2.96Å; D630-R687 VanDerWaalsContact OD1-NH2 3.09Å; E631-R687 PolarHBondContact O-NH1 3.16Å; A683-R687 PolarHBondContact O-N 2.9Å; K684-R687 WeakPolarHBondContact O-CG 3.5Å; K684-R687 PolarHBondContact O-NE 3.17Å; N685-R687 PolarHBondContact O-N 3.03Å; R687-Q696 PolarHBondContact O-NE2 2.98Å; R687-L697 HydrophobicContact CB-CD2 4.48Å; R687-L697 HydrophobicContact CB-CG 4.5Å |
| 688 | F | 75.3 | Confident | 80.4 | Confident | 57 Ų | 57 | 19.5 Ų | 19.5 | 25% | 0.25 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -6.1 | 179.6 | -58.2 | -50.9 | 0 | 0 | 0 | 113.2 | P137 Q376 N685 M686 N690 | P137-F688 HydrophobicContact CB-CE2 4.33Å; Q376-F688 HydrophobicContact CG-CD1 4.21Å; N685-F688 HydrophobicContact CB-CD2 3.8Å; N685-F688 HydrophobicContact CB-CE2 4.45Å; N685-F688 WeakPolarHBondContact O-CB 3.35Å; N685-F688 PolarHBondContact O-N 2.9Å; M686-F688 PolarHBondContact O-N 3.08Å; F688-N690 VanDerWaalsContact C-N 3.31Å; F688-N690 PolarHBondContact O-N 3.39Å |
| 689 | L | 79.7 | Confident | 81.3 | Confident | 13 Ų | 13 | 18.2 Ų | 18.2 | 7% | 0.068 | 9% | 0.092 | C | C | . | . | trans | -78.7 | 80.6 | 174.1 | -63 | 174.6 | 0 | 0 | 0 | 109.7 | M686 L694 Y750 L751 E754 F756 F783 | M686-L689 HydrophobicContact CG-CD1 4.38Å; M686-L689 WeakPolarHBondContact O-CB 3.37Å; M686-L689 PolarHBondContact O-N 2.94Å; M686-L689 VanDerWaalsContact O-N 3.16Å; L689-L694 HydrophobicContact CB-CD1 4.33Å; L689-Y750 HydrophobicContact CB-CE1 4.11Å; L689-Y750 HydrophobicContact CD2-CE1 3.93Å; L689-L751 HydrophobicContact CD1-CD2 3.88Å; L689-L751 HydrophobicContact CD2-CD2 4.48Å; L689-E754 HydrophobicContact CD2-CB 3.9Å; L689-E754 HydrophobicContact CD2-CG 4.01Å; L689-F756 HydrophobicContact CD1-CB 4.45Å; L689-F756 HydrophobicContact CD1-CD1 4.15Å; L689-F756 HydrophobicContact CD1-CD2 3.8Å; L689-F756 HydrophobicContact CD1-CE1 4.37Å; L689-F756 HydrophobicContact CD1-CE2 4.04Å; L689-F756 HydrophobicContact CD1-CG 3.86Å; L689-F756 HydrophobicContact CD1-CZ 4.31Å; L689-F783 HydrophobicContact CB-CE2 4.37Å; L689-F783 HydrophobicContact CD1-CD2 4.18Å; L689-F783 HydrophobicContact CD1-CE2 3.89Å | ||
| 690 | N | 82 | Confident | 82 | Confident | 41 Ų | 41 | 18.1 Ų | 18.1 | 22% | 0.219 | 9% | 0.091 | C | C | . | . | trans | -104.6 | 113.5 | -176.5 | -175.6 | -1 | 0 | 0 | 0 | 110.3 | A625 F688 Y750 | A625-N690 HydrophobicContact CB-CB 4.32Å; F688-N690 VanDerWaalsContact C-N 3.31Å; F688-N690 PolarHBondContact O-N 3.39Å; N690-Y750 PolarHBondContact N-OH 2.75Å; N690-Y750 PolarHBondContact O-OH 3.02Å | ||
| 691 | H | 85.1 | Confident | 82.7 | Confident | 16 Ų | 16 | 16.7 Ų | 16.7 | 7% | 0.074 | 8% | 0.084 | C | C | . | . | trans | -153.9 | 142.8 | -178.4 | -179.5 | -95 | 0 | 0 | 0 | 110.1 | N693 L694 N746 Y750 | H691-N693 VanDerWaalsContact C-N 3.25Å; H691-N693 PolarHBondContact ND1-N 3.18Å; H691-N693 VanDerWaalsContact ND1-N 3.2Å; H691-N693 PolarHBondContact O-N 3.43Å; H691-N693 VanDerWaalsContact O-N 3.14Å; H691-L694 HydrophobicContact CB-CB 4.26Å; H691-L694 HydrophobicContact CB-CD1 4.02Å; H691-L694 HydrophobicContact CB-CG 3.94Å; H691-L694 PolarHBondContact O-N 3.02Å; H691-N746 PolarHBondContact CE1-ND2 2.98Å; H691-Y750 HydrophobicContact CB-CD1 3.86Å; H691-Y750 HydrophobicContact CB-CD2 4.07Å; H691-Y750 HydrophobicContact CB-CE1 4.1Å; H691-Y750 HydrophobicContact CB-CE2 4.3Å; H691-Y750 HydrophobicContact CB-CG 3.83Å; H691-Y750 AromaticContact CD2-CD2 3.7Å; H691-Y750 AromaticContact CD2-CG 3.75Å; H691-Y750 AromaticContact CG-CG 3.83Å | ||
| 692 | P | 87 | Confident | 83.6 | Confident | 57 Ų | 57 | 17.8 Ų | 17.8 | 37% | 0.37 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -38.4 | -176.8 | 16.7 | -32.2 | 0 | 0 | 0 | 114.2 | D456 K779 | D456-P692 HydrophobicContact CB-CG 4.14Å; P692-K779 WeakPolarHBondContact O-CE 3.22Å; P692-K779 WeakPolarHBondContact O-CG 3.32Å; P692-K779 PolarHBondContact O-NZ 2.85Å |
| 693 | N | 93.7 | Very high | 84.5 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 17.6 | 178.4 | -52.8 | 108.7 | 0 | 0 | 0 | 114.8 | H691 Q743 N746 V778 K779 V780 | H691-N693 VanDerWaalsContact C-N 3.25Å; H691-N693 PolarHBondContact ND1-N 3.18Å; H691-N693 VanDerWaalsContact ND1-N 3.2Å; H691-N693 PolarHBondContact O-N 3.43Å; H691-N693 VanDerWaalsContact O-N 3.14Å; N693-Q743 WeakPolarHBondContact CB-O 3.42Å; N693-Q743 VanDerWaalsContact CG-O 3.26Å; N693-Q743 WeakPolarHBondContact ND2-CB 3.1Å; N693-N746 PolarHBondContact OD1-ND2 3.09Å; N693-N746 VanDerWaalsContact OD1-ND2 3.12Å; N693-V778 PolarHBondContact ND2-O 3.25Å; N693-K779 CarbonylContact O-C 3.54Å; N693-K779 VanDerWaalsContact O-CA 3.31Å; N693-K779 WeakPolarHBondContact O-CA 3.24Å; N693-V780 PolarHBondContact O-N 2.95Å |
| 694 | L | 94 | Very high | 84.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 148 | 167.9 | -65.4 | -174.6 | 0 | 0 | 0 | 110.6 | L689 H691 Y750 L751 K779 V780 F783 | L689-L694 HydrophobicContact CB-CD1 4.33Å; H691-L694 HydrophobicContact CB-CB 4.26Å; H691-L694 HydrophobicContact CB-CD1 4.02Å; H691-L694 HydrophobicContact CB-CG 3.94Å; H691-L694 PolarHBondContact O-N 3.02Å; L694-Y750 HydrophobicContact CD1-CD1 3.62Å; L694-Y750 HydrophobicContact CD1-CE1 3.87Å; L694-L751 HydrophobicContact CD1-CD2 3.71Å; L694-L751 HydrophobicContact CD1-CG 4.08Å; L694-L751 HydrophobicContact CD2-CD1 4.03Å; L694-L751 HydrophobicContact CD2-CG 4.17Å; L694-K779 WeakPolarHBondContact O-CD 3.44Å; L694-K779 PolarHBondContact O-NZ 2.96Å; L694-V780 HydrophobicContact CD2-CB 3.87Å; L694-F783 HydrophobicContact CB-CE1 4.23Å; L694-F783 HydrophobicContact CD2-CD1 4.37Å; L694-F783 HydrophobicContact CD2-CE1 4.36Å |
| 695 | V | 94.3 | Very high | 85.6 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | trans | -79.3 | 115.7 | 171.3 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | L697 T711 E712 M714 L767 K779 V780 A781 F783 | V695-L697 PolarHBondContact O-N 3.02Å; V695-T711 HydrophobicContact CG1-CG2 4.32Å; V695-E712 HydrophobicContact CG1-CG 4Å; V695-M714 HydrophobicContact CG2-CE 4.38Å; V695-M714 HydrophobicContact CG2-CG 4.26Å; V695-L767 HydrophobicContact CG2-CB 4.41Å; V695-L767 HydrophobicContact CG2-CD1 4.22Å; V695-K779 HydrophobicContact CG2-CB 3.52Å; V695-K779 HydrophobicContact CG2-CD 4.26Å; V695-V780 PolarHBondContact N-O 3.3Å; V695-A781 HydrophobicContact CB-CB 4.04Å; V695-A781 HydrophobicContact CG1-CB 4.49Å; V695-A781 HydrophobicContact CG2-CB 3.78Å; V695-F783 WeakPolarHBondContact O-CE1 3.32Å | ||
| 696 | Q | 91 | Very high | 86.4 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | trans | -67.4 | 128.4 | -176.2 | -178.2 | 61.3 | 58 | 0 | 0 | 111.2 | V623 T624 R687 F698 T711 E712 | V623-Q696 HydrophobicContact CB-CB 4.35Å; V623-Q696 HydrophobicContact CG1-CB 3.83Å; V623-Q696 HydrophobicContact CG1-CG 3.84Å; T624-Q696 WeakPolarHBondContact O-CG 3.46Å; R687-Q696 PolarHBondContact O-NE2 2.98Å; Q696-F698 HydrophobicContact CG-CD1 4.2Å; Q696-F698 HydrophobicContact CG-CE1 4.16Å; Q696-T711 WeakPolarHBondContact O-CA 3.45Å; Q696-T711 WeakPolarHBondContact O-CB 3.35Å; Q696-E712 PolarHBondContact N-OE1 3.2Å; Q696-E712 PolarHBondContact O-N 3.39Å | ||
| 697 | L | 89.8 | Confident | 87 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118 | 166.6 | 176.2 | 62.7 | 0 | 0 | 0 | 109.3 | A683 M686 R687 V695 G699 I709 T711 | A683-L697 HydrophobicContact CB-CD2 4.13Å; A683-L697 WeakPolarHBondContact O-CD2 3.47Å; M686-L697 HydrophobicContact CB-CD2 3.68Å; R687-L697 HydrophobicContact CB-CD2 4.48Å; R687-L697 HydrophobicContact CB-CG 4.5Å; V695-L697 PolarHBondContact O-N 3.02Å; L697-G699 WeakPolarHBondContact CD1-O 3.36Å; L697-I709 HydrophobicContact CD1-CG2 3.34Å; L697-T711 HydrophobicContact CD1-CG2 4.18Å |
| 698 | F | 87.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -36.5 | 175.6 | -67.5 | -48.6 | 0 | 0 | 0 | 112.3 | V623 M627 V664 Q696 I710 E712 | V623-F698 HydrophobicContact CG1-CE1 3.44Å; V623-F698 VanDerWaalsContact CG1-CE1 3.44Å; V623-F698 HydrophobicContact CG1-CZ 3.66Å; M627-F698 HydrophobicContact CG-CB 4.04Å; M627-F698 HydrophobicContact CG-CD1 4.44Å; M627-F698 HydrophobicContact CG-CG 4.36Å; M627-F698 HydrophobicContact SD-CB 3.95Å; M627-F698 HydrophobicContact SD-CD1 3.46Å; M627-F698 WeakPolarHBondContact SD-CD1 3.19Å; M627-F698 HydrophobicContact SD-CD2 4.12Å; M627-F698 HydrophobicContact SD-CE1 3.87Å; M627-F698 HydrophobicContact SD-CE2 4.45Å; M627-F698 HydrophobicContact SD-CG 3.6Å; M627-F698 HydrophobicContact SD-CZ 4.35Å; V664-F698 HydrophobicContact CG1-CD2 3.88Å; V664-F698 HydrophobicContact CG1-CE2 3.97Å; Q696-F698 HydrophobicContact CG-CD1 4.2Å; Q696-F698 HydrophobicContact CG-CE1 4.16Å; F698-I710 HydrophobicContact CB-CG2 4.37Å; F698-I710 WeakPolarHBondContact CB-O 3.49Å; F698-I710 HydrophobicContact CD2-CG2 4.41Å; F698-I710 PolarHBondContact N-O 2.8Å; F698-E712 HydrophobicContact CE2-CB 4.1Å; F698-E712 HydrophobicContact CZ-CB 4.11Å |
| 699 | G | 88.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -164 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F632 L697 I710 | F632-G699 CarbonylContact O-C 3.58Å; F632-G699 WeakPolarHBondContact O-CA 3.45Å; L697-G699 WeakPolarHBondContact CD1-O 3.36Å; G699-I710 PolarHBondContact N-O 2.82Å; G699-I710 PolarHBondContact O-N 3.05Å |
| 700 | V | 89.7 | Confident | 89 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.9 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | F632 E633 L634 F679 A683 L702 M708 I709 | F632-V700 HydrophobicContact CD1-CG2 3.93Å; F632-V700 HydrophobicContact CE1-CB 4.47Å; F632-V700 HydrophobicContact CE1-CG2 3.21Å; F632-V700 HydrophobicContact CE2-CG1 4.05Å; F632-V700 HydrophobicContact CE2-CG2 4.03Å; F632-V700 HydrophobicContact CZ-CB 4.14Å; F632-V700 HydrophobicContact CZ-CG1 3.72Å; F632-V700 HydrophobicContact CZ-CG2 3.28Å; F632-V700 PolarHBondContact O-N 2.82Å; E633-V700 CarbonylContact C-O 3.44Å; E633-V700 WeakPolarHBondContact CA-O 3.4Å; L634-V700 PolarHBondContact N-O 2.86Å; F679-V700 HydrophobicContact CE1-CG1 4.34Å; F679-V700 HydrophobicContact CZ-CG1 4.34Å; A683-V700 HydrophobicContact CB-CG1 4.19Å; V700-L702 HydrophobicContact CB-CD2 4.17Å; V700-L702 HydrophobicContact CG2-CD1 4.25Å; V700-L702 HydrophobicContact CG2-CD2 3.69Å; V700-L702 HydrophobicContact CG2-CG 3.82Å; V700-M708 CarbonylContact C-O 3.58Å; V700-M708 WeakPolarHBondContact CA-O 3.22Å; V700-I709 HydrophobicContact CG1-CG2 4.49Å |
| 701 | V | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115 | 170.2 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | L634 P636 L639 K704 M708 I710 | L634-V701 HydrophobicContact CB-CG2 4.38Å; P636-V701 HydrophobicContact CB-CG1 3.86Å; P636-V701 HydrophobicContact CG-CG1 4.31Å; L639-V701 HydrophobicContact CD2-CG2 3.95Å; V701-K704 HydrophobicContact CG1-CB 4Å; V701-M708 HydrophobicContact CB-CB 4.06Å; V701-M708 HydrophobicContact CB-CG 4.27Å; V701-M708 HydrophobicContact CG2-CB 4.46Å; V701-M708 PolarHBondContact N-O 2.87Å; V701-M708 PolarHBondContact O-N 2.77Å; V701-M708 VanDerWaalsContact O-N 3.14Å; V701-I710 HydrophobicContact CG2-CD1 4.13Å; V701-I710 HydrophobicContact CG2-CG1 4.21Å |
| 702 | L | 87.9 | Confident | 89.9 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | trans | -108.4 | -32 | 179.5 | -51.6 | -176.2 | 0 | 0 | 0 | 112.7 | E633 I680 V700 K704 I707 | E633-L702 HydrophobicContact CG-CD1 3.93Å; E633-L702 HydrophobicContact CG-CG 4.41Å; I680-L702 HydrophobicContact CD1-CD1 3.9Å; I680-L702 HydrophobicContact CD1-CD2 4.08Å; I680-L702 HydrophobicContact CG1-CD1 3.91Å; I680-L702 HydrophobicContact CG1-CD2 3.78Å; I680-L702 HydrophobicContact CG2-CD1 3.79Å; V700-L702 HydrophobicContact CB-CD2 4.17Å; V700-L702 HydrophobicContact CG2-CD1 4.25Å; V700-L702 HydrophobicContact CG2-CD2 3.69Å; V700-L702 HydrophobicContact CG2-CG 3.82Å; L702-K704 PolarHBondContact O-N 3.11Å; L702-I707 HydrophobicContact CD2-CD1 4.27Å; L702-I707 HydrophobicContact CD2-CG1 4.16Å; L702-I707 HydrophobicContact CD2-CG2 3.99Å | ||
| 703 | K | 85.5 | Confident | 90.2 | Very high | 147 Ų | 147 | 29.3 Ų | 29.3 | 64% | 0.639 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -64.3 | -18.9 | -179 | -59.5 | -177.2 | -170.3 | 173.1 | 0 | 114 | D635 P636 | D635-K703 IonicContact OD2-NZ 2.83Å; D635-K703 PolarHBondContact OD2-NZ 3.17Å; P636-K703 HydrophobicContact CG-CB 4.26Å |
| 704 | K | 86 | Confident | 90.2 | Very high | 112 Ų | 112 | 29.7 Ų | 29.7 | 49% | 0.487 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -126.6 | 128.6 | -178.9 | -178.4 | 172.7 | -178.3 | 174.2 | 0 | 108.9 | P636 V701 L702 P706 M708 | P636-K704 HydrophobicContact CB-CB 3.69Å; P636-K704 HydrophobicContact CB-CD 3.67Å; P636-K704 HydrophobicContact CB-CG 4.35Å; P636-K704 HydrophobicContact CG-CB 3.92Å; V701-K704 HydrophobicContact CG1-CB 4Å; L702-K704 PolarHBondContact O-N 3.11Å; K704-P706 VanDerWaalsContact O-O 3.1Å; K704-M708 HydrophobicContact CD-CE 4.23Å; K704-M708 HydrophobicContact CG-CE 4.05Å |
| 705 | R | 86.3 | Confident | 90.1 | Very high | 127 Ų | 127 | 35.4 Ų | 35.4 | 48% | 0.479 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -87.2 | 148.7 | 179.5 | -70.6 | -71.7 | 170.5 | 170.9 | -4.6 | 111.4 | E671 E676 | E671-R705 WeakPolarHBondContact OE1-CB 3.15Å; E671-R705 WeakPolarHBondContact OE1-CD 3.34Å; E676-R705 IonicContact OE1-CZ 3.08Å; E676-R705 IonicContact OE1-NH1 3.08Å; E676-R705 PolarHBondContact OE1-NH1 3.17Å; E676-R705 IonicContact OE1-NH2 2.72Å; E676-R705 IonicContact OE2-CZ 2.79Å; E676-R705 VanDerWaalsContact OE2-CZ 3.28Å; E676-R705 IonicContact OE2-NH1 2.98Å; E676-R705 PolarHBondContact OE2-NH1 2.66Å; E676-R705 IonicContact OE2-NH2 3.4Å; E676-R705 PolarHBondContact OE2-NH2 2.84Å |
| 706 | P | 88.1 | Confident | 90.1 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 25% | 0.253 | 17% | 0.171 | S | C | . | . | S | Bend | cis | -66.8 | 161.3 | -12.2 | 31.2 | -37.6 | 0 | 0 | 0 | 112.1 | Q668 M669 E671 K704 M708 | Q668-P706 HydrophobicContact CB-CG 4.1Å; M669-P706 VanDerWaalsContact O-CB 3.27Å; M669-P706 WeakPolarHBondContact O-CB 3.31Å; E671-P706 HydrophobicContact CG-CB 3.88Å; E671-P706 WeakPolarHBondContact OE1-CA 3.38Å; K704-P706 VanDerWaalsContact O-O 3.1Å; P706-M708 WeakPolarHBondContact O-CE 3.46Å; P706-M708 WeakPolarHBondContact O-CG 3.37Å; P706-M708 PolarHBondContact O-N 3.12Å |
| 707 | I | 88 | Confident | 90.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -54 | 134.8 | 175.1 | -71 | 173.9 | 0 | 0 | 0 | 109.8 | M669 M674 E676 F679 L702 | M669-I707 WeakPolarHBondContact CB-O 3.35Å; M669-I707 HydrophobicContact CG-CG2 4.46Å; M669-I707 PolarHBondContact N-O 3.11Å; M674-I707 HydrophobicContact CE-CB 4.23Å; M674-I707 HydrophobicContact CE-CD1 4.06Å; M674-I707 HydrophobicContact CE-CG2 4.09Å; E676-I707 HydrophobicContact CB-CD1 4.2Å; E676-I707 HydrophobicContact CG-CD1 4.03Å; F679-I707 HydrophobicContact CD1-CG2 4.49Å; F679-I707 HydrophobicContact CE1-CG2 4.01Å; L702-I707 HydrophobicContact CD2-CD1 4.27Å; L702-I707 HydrophobicContact CD2-CG1 4.16Å; L702-I707 HydrophobicContact CD2-CG2 3.99Å |
| 708 | M | 91.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.2 | -178.5 | -37.8 | -171.9 | -164.9 | 0 | 0 | 111 | L639 L641 V666 K667 Q668 V700 V701 K704 P706 I710 | L639-M708 HydrophobicContact CD2-SD 4.46Å; L641-M708 HydrophobicContact CD1-SD 4.28Å; V666-M708 HydrophobicContact CG1-CB 3.9Å; V666-M708 HydrophobicContact CG1-CG 4.5Å; V666-M708 HydrophobicContact CG1-SD 4.11Å; K667-M708 WeakPolarHBondContact O-CA 3.1Å; Q668-M708 HydrophobicContact CG-CG 4.25Å; Q668-M708 HydrophobicContact CG-SD 4.13Å; V700-M708 CarbonylContact C-O 3.58Å; V700-M708 WeakPolarHBondContact CA-O 3.22Å; V701-M708 HydrophobicContact CB-CB 4.06Å; V701-M708 HydrophobicContact CB-CG 4.27Å; V701-M708 HydrophobicContact CG2-CB 4.46Å; V701-M708 PolarHBondContact N-O 2.87Å; V701-M708 PolarHBondContact O-N 2.77Å; V701-M708 VanDerWaalsContact O-N 3.14Å; K704-M708 HydrophobicContact CD-CE 4.23Å; K704-M708 HydrophobicContact CG-CE 4.05Å; P706-M708 WeakPolarHBondContact O-CE 3.46Å; P706-M708 WeakPolarHBondContact O-CG 3.37Å; P706-M708 PolarHBondContact O-N 3.12Å; M708-I710 HydrophobicContact CB-CD1 4.29Å |
| 709 | I | 90.3 | Very high | 91 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.6 | 173.8 | -44.1 | -178.2 | 0 | 0 | 0 | 108.4 | V666 K667 M669 F679 L697 V700 T711 M785 | V666-I709 WeakPolarHBondContact CA-O 3.28Å; K667-I709 HydrophobicContact CB-CB 4.22Å; K667-I709 PolarHBondContact N-O 3.17Å; K667-I709 PolarHBondContact O-N 3.26Å; M669-I709 HydrophobicContact CE-CD1 4.35Å; M669-I709 HydrophobicContact CG-CD1 4.12Å; M669-I709 HydrophobicContact CG-CG1 4.05Å; M669-I709 HydrophobicContact SD-CD1 3.65Å; M669-I709 HydrophobicContact SD-CG1 4.14Å; F679-I709 HydrophobicContact CE1-CD1 4.35Å; F679-I709 HydrophobicContact CE1-CG1 4.34Å; F679-I709 HydrophobicContact CE2-CD1 3.71Å; F679-I709 HydrophobicContact CZ-CD1 3.36Å; F679-I709 HydrophobicContact CZ-CG1 3.67Å; L697-I709 HydrophobicContact CD1-CG2 3.34Å; V700-I709 HydrophobicContact CG1-CG2 4.49Å; I709-T711 HydrophobicContact CG2-CG2 4.45Å; I709-M785 HydrophobicContact CD1-CE 3.32Å; I709-M785 HydrophobicContact CD1-SD 3.93Å |
| 710 | I | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.9 | -174.2 | -46.1 | -58.5 | 0 | 0 | 0 | 109.6 | L634 L639 V664 V666 F698 G699 V701 M708 | L634-I710 HydrophobicContact CD1-CB 3.82Å; L634-I710 HydrophobicContact CD1-CG1 3.78Å; L634-I710 HydrophobicContact CD1-CG2 4.09Å; L639-I710 HydrophobicContact CD1-CD1 4.34Å; L639-I710 HydrophobicContact CD2-CD1 3.64Å; V664-I710 HydrophobicContact CB-CG2 3.78Å; V664-I710 HydrophobicContact CG1-CG2 3.74Å; V664-I710 HydrophobicContact CG2-CG2 4.1Å; V666-I710 HydrophobicContact CB-CD1 4.24Å; V666-I710 HydrophobicContact CG1-CD1 3.78Å; V666-I710 HydrophobicContact CG2-CD1 3.81Å; F698-I710 HydrophobicContact CB-CG2 4.37Å; F698-I710 WeakPolarHBondContact CB-O 3.49Å; F698-I710 HydrophobicContact CD2-CG2 4.41Å; F698-I710 PolarHBondContact N-O 2.8Å; G699-I710 PolarHBondContact N-O 2.82Å; G699-I710 PolarHBondContact O-N 3.05Å; V701-I710 HydrophobicContact CG2-CD1 4.13Å; V701-I710 HydrophobicContact CG2-CG1 4.21Å; M708-I710 HydrophobicContact CB-CD1 4.29Å |
| 711 | T | 93.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 169.8 | -176.7 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | V664 A665 V695 Q696 L697 I709 | V664-T711 WeakPolarHBondContact CA-O 3.23Å; A665-T711 PolarHBondContact N-O 2.76Å; A665-T711 PolarHBondContact O-N 2.7Å; V695-T711 HydrophobicContact CG1-CG2 4.32Å; Q696-T711 WeakPolarHBondContact O-CA 3.45Å; Q696-T711 WeakPolarHBondContact O-CB 3.35Å; L697-T711 HydrophobicContact CD1-CG2 4.18Å; I709-T711 HydrophobicContact CG2-CG2 4.45Å |
| 712 | E | 91.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 139 | 172.8 | 71.2 | -174.5 | 104.6 | 0 | 0 | 112.2 | V695 Q696 F698 M714 K779 | V695-E712 HydrophobicContact CG1-CG 4Å; Q696-E712 PolarHBondContact N-OE1 3.2Å; Q696-E712 PolarHBondContact O-N 3.39Å; F698-E712 HydrophobicContact CE2-CB 4.1Å; F698-E712 HydrophobicContact CZ-CB 4.11Å; E712-M714 HydrophobicContact CG-CG 4.34Å; E712-M714 HydrophobicContact CG-SD 4.04Å; E712-M714 PolarHBondContact O-N 3.14Å; E712-K779 VanDerWaalsContact CD-NZ 3.32Å; E712-K779 IonicContact OE1-NZ 3.58Å; E712-K779 PolarHBondContact OE1-NZ 3.5Å; E712-K779 WeakPolarHBondContact OE2-CE 3.47Å; E712-K779 IonicContact OE2-NZ 3.61Å; E712-K779 PolarHBondContact OE2-NZ 2.84Å; E712-K779 VanDerWaalsContact OE2-NZ 3.16Å |
| 713 | Y | 93.7 | Very high | 92.2 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 26% | 0.263 | 21% | 0.209 | S | C | . | . | trans | -79.6 | 109.1 | -179.2 | 177.1 | -106.9 | 0 | 0 | 0 | 112.5 | I646 R656 A665 K715 | I646-Y713 HydrophobicContact CD1-CD2 4.25Å; I646-Y713 HydrophobicContact CD1-CE2 3.77Å; R656-Y713 HydrophobicContact CB-CD2 4.44Å; R656-Y713 HydrophobicContact CB-CE2 4.15Å; R656-Y713 VanDerWaalsContact CD-CZ 3.48Å; R656-Y713 HydrophobicContact CG-CD2 3.9Å; R656-Y713 HydrophobicContact CG-CE2 3.77Å; R656-Y713 HydrophobicContact CG-CG 4.48Å; A665-Y713 HydrophobicContact CB-CD2 4.48Å; Y713-K715 HydrophobicContact CD1-CB 4.31Å; Y713-K715 HydrophobicContact CE1-CB 3.72Å; Y713-K715 PolarHBondContact O-N 3.31Å | ||
| 714 | M | 94.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 41 Ų | 41 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | trans | -91 | 92.6 | -177.9 | -63.4 | -67.2 | -77.1 | 0 | 0 | 111.5 | V695 E712 H716 G717 L767 K769 K779 | V695-M714 HydrophobicContact CG2-CE 4.38Å; V695-M714 HydrophobicContact CG2-CG 4.26Å; E712-M714 HydrophobicContact CG-CG 4.34Å; E712-M714 HydrophobicContact CG-SD 4.04Å; E712-M714 PolarHBondContact O-N 3.14Å; M714-H716 PolarHBondContact O-N 3.2Å; M714-G717 PolarHBondContact O-N 3.1Å; M714-G717 VanDerWaalsContact O-N 3.11Å; M714-L767 HydrophobicContact CB-CB 3.76Å; M714-L767 HydrophobicContact CB-CD1 3.9Å; M714-L767 HydrophobicContact CB-CG 4.45Å; M714-L767 VanDerWaalsContact CE-C 3.49Å; M714-L767 HydrophobicContact CE-CB 3.69Å; M714-L767 VanDerWaalsContact CE-O 3.22Å; M714-L767 WeakPolarHBondContact CE-O 3.34Å; M714-L767 HydrophobicContact CG-CB 3.79Å; M714-L767 HydrophobicContact CG-CD1 3.79Å; M714-L767 HydrophobicContact CG-CG 4.45Å; M714-K769 HydrophobicContact CE-CB 3.78Å; M714-K769 HydrophobicContact CE-CG 4.34Å; M714-K769 HydrophobicContact SD-CB 4.23Å; M714-K769 HydrophobicContact SD-CG 4.16Å; M714-K779 HydrophobicContact CE-CB 3.84Å; M714-K779 HydrophobicContact CE-CD 3.73Å; M714-K779 HydrophobicContact CE-CG 4.07Å; M714-K779 HydrophobicContact SD-CD 3.89Å | ||
| 715 | K | 91.8 | Very high | 92.9 | Very high | 123 Ų | 123 | 43.1 Ų | 43.1 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.6 | -166.1 | 75.4 | -170.3 | -178.2 | -170 | 0 | 117 | Y713 K769 | Y713-K715 HydrophobicContact CD1-CB 4.31Å; Y713-K715 HydrophobicContact CE1-CB 3.72Å; Y713-K715 PolarHBondContact O-N 3.31Å; K715-K769 WeakPolarHBondContact CE-O 3.35Å |
| 716 | H | 94.1 | Very high | 93.2 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 4 | -179 | -64.5 | -61 | 0 | 0 | 0 | 113.9 | M714 F722 V768 | M714-H716 PolarHBondContact O-N 3.2Å; H716-F722 HydrophobicContact CB-CD2 4.48Å; H716-V768 HydrophobicContact CB-CB 3.71Å; H716-V768 HydrophobicContact CB-CG1 3.7Å |
| 717 | G | 94.5 | Very high | 93.2 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | trans | 72.9 | -155.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M714 L767 V768 | M714-G717 PolarHBondContact O-N 3.1Å; M714-G717 VanDerWaalsContact O-N 3.11Å; G717-L767 VanDerWaalsContact O-CA 3.32Å; G717-L767 WeakPolarHBondContact O-CA 3.34Å; G717-V768 PolarHBondContact O-N 3.03Å | ||
| 718 | S | 95.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 146 | -177.8 | 88.5 | 0 | 0 | 0 | 0 | 112.4 | R720 D721 F722 R764 C766 | S718-R720 VanDerWaalsContact C-N 3.28Å; S718-R720 PolarHBondContact O-N 3.25Å; S718-D721 PolarHBondContact O-N 3.07Å; S718-D721 WeakPolarHBondContact OG-CB 3.41Å; S718-D721 PolarHBondContact OG-N 3.45Å; S718-D721 VanDerWaalsContact OG-N 3.11Å; S718-D721 PolarHBondContact OG-OD2 2.79Å; S718-F722 WeakPolarHBondContact O-CB 3.16Å; S718-F722 PolarHBondContact O-N 2.89Å; S718-R764 WeakPolarHBondContact CB-O 3.34Å; S718-C766 CarbonylContact C-O 3.49Å; S718-C766 WeakPolarHBondContact CA-O 3.43Å |
| 719 | L | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 176 | 176.3 | 63.7 | 0 | 0 | 0 | 111.2 | D721 F722 M723 I740 C766 V768 V778 V832 | L719-D721 PolarHBondContact O-N 3.23Å; L719-F722 PolarHBondContact O-N 3.28Å; L719-M723 HydrophobicContact CD1-CG 3.89Å; L719-M723 HydrophobicContact CD1-SD 3.87Å; L719-M723 HydrophobicContact CG-CG 4.48Å; L719-M723 HydrophobicContact CG-SD 4.25Å; L719-M723 WeakPolarHBondContact O-CB 3.46Å; L719-M723 WeakPolarHBondContact O-CG 3.03Å; L719-M723 PolarHBondContact O-N 3.09Å; L719-I740 HydrophobicContact CD1-CD1 4.37Å; L719-I740 HydrophobicContact CD1-CG2 4.04Å; L719-I740 HydrophobicContact CD2-CG2 3.61Å; L719-I740 HydrophobicContact CG-CG2 4.46Å; L719-C766 HydrophobicContact CB-CB 3.95Å; L719-C766 HydrophobicContact CD2-CB 3.97Å; L719-C766 PolarHBondContact N-O 3.06Å; L719-V768 HydrophobicContact CB-CG2 4.41Å; L719-V768 HydrophobicContact CD1-CG2 4.18Å; L719-V778 HydrophobicContact CD1-CG1 4.07Å; L719-V778 HydrophobicContact CD2-CG1 4.47Å; L719-V832 HydrophobicContact CD2-CG2 4.09Å |
| 720 | R | 95.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55 | -52.1 | 174.5 | -176.6 | -161.4 | 69.7 | -162.3 | -8.5 | 112 | S718 R724 A763 C836 | S718-R720 VanDerWaalsContact C-N 3.28Å; S718-R720 PolarHBondContact O-N 3.25Å; R720-R724 WeakPolarHBondContact O-CB 3.36Å; R720-R724 VanDerWaalsContact O-CG 3.28Å; R720-R724 WeakPolarHBondContact O-CG 3.39Å; R720-R724 PolarHBondContact O-N 3.12Å; R720-A763 HydrophobicContact CB-CB 4.05Å; R720-A763 PolarHBondContact N-O 3.36Å; R720-C836 HydrophobicContact CG-CB 3.97Å |
| 721 | D | 94.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.4 | -36.5 | -174.3 | -57.2 | -39.2 | 0 | 0 | 0 | 110.9 | S718 L719 R724 Q725 | S718-D721 PolarHBondContact O-N 3.07Å; S718-D721 WeakPolarHBondContact OG-CB 3.41Å; S718-D721 PolarHBondContact OG-N 3.45Å; S718-D721 VanDerWaalsContact OG-N 3.11Å; S718-D721 PolarHBondContact OG-OD2 2.79Å; L719-D721 PolarHBondContact O-N 3.23Å; D721-R724 PolarHBondContact O-N 3.04Å; D721-Q725 WeakPolarHBondContact O-CB 3.36Å; D721-Q725 VanDerWaalsContact O-CG 3.22Å; D721-Q725 WeakPolarHBondContact O-CG 3.45Å; D721-Q725 PolarHBondContact O-N 2.85Å |
| 722 | F | 95.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.2 | 179.3 | -106.4 | 0 | 0 | 0 | 112.8 | H716 S718 L719 R726 F730 V768 I771 V776 | H716-F722 HydrophobicContact CB-CD2 4.48Å; S718-F722 WeakPolarHBondContact O-CB 3.16Å; S718-F722 PolarHBondContact O-N 2.89Å; L719-F722 PolarHBondContact O-N 3.28Å; F722-R726 VanDerWaalsContact CE2-CD 3.49Å; F722-R726 WeakPolarHBondContact O-CB 3.22Å; F722-R726 WeakPolarHBondContact O-CD 3.35Å; F722-R726 WeakPolarHBondContact O-CG 3.28Å; F722-R726 PolarHBondContact O-N 2.94Å; F722-F730 HydrophobicContact CD1-CE2 4.4Å; F722-F730 HydrophobicContact CD1-CZ 4.39Å; F722-F730 HydrophobicContact CE1-CE2 4.06Å; F722-F730 AromaticContact CE1-CZ 3.75Å; F722-F730 HydrophobicContact CE1-CZ 3.75Å; F722-V768 HydrophobicContact CB-CG2 4.22Å; F722-V768 HydrophobicContact CD1-CG2 3.8Å; F722-V768 HydrophobicContact CE1-CG1 4.43Å; F722-V768 HydrophobicContact CE1-CG2 4.31Å; F722-V768 HydrophobicContact CG-CG2 4Å; F722-V768 HydrophobicContact CZ-CG1 4.46Å; F722-I771 HydrophobicContact CE2-CD1 3.41Å; F722-I771 VanDerWaalsContact CE2-CD1 3.41Å; F722-I771 HydrophobicContact CE2-CG1 4.12Å; F722-I771 HydrophobicContact CZ-CD1 3.49Å; F722-I771 VanDerWaalsContact CZ-CD1 3.49Å; F722-I771 HydrophobicContact CZ-CG1 3.75Å; F722-V776 HydrophobicContact CD1-CG1 4.48Å; F722-V776 HydrophobicContact CE1-CG1 3.77Å; F722-V776 HydrophobicContact CE1-CG2 4.2Å; F722-V776 HydrophobicContact CZ-CG1 4.43Å |
| 723 | M | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 176.2 | -67.1 | -169.5 | 84.7 | 0 | 0 | 112.1 | L719 Q725 R726 Q727 F730 M737 V832 C835 | L719-M723 HydrophobicContact CD1-CG 3.89Å; L719-M723 HydrophobicContact CD1-SD 3.87Å; L719-M723 HydrophobicContact CG-CG 4.48Å; L719-M723 HydrophobicContact CG-SD 4.25Å; L719-M723 WeakPolarHBondContact O-CB 3.46Å; L719-M723 WeakPolarHBondContact O-CG 3.03Å; L719-M723 PolarHBondContact O-N 3.09Å; M723-Q725 VanDerWaalsContact C-N 3.27Å; M723-Q725 PolarHBondContact O-N 2.84Å; M723-R726 CarbonylContact O-C 3.57Å; M723-R726 PolarHBondContact O-N 3.34Å; M723-Q727 WeakPolarHBondContact O-CG 3.5Å; M723-Q727 PolarHBondContact O-N 3.23Å; M723-F730 HydrophobicContact CE-CB 4.15Å; M723-F730 HydrophobicContact CE-CD1 4.01Å; M723-F730 HydrophobicContact CE-CD2 4.05Å; M723-F730 HydrophobicContact CE-CE1 4.48Å; M723-F730 HydrophobicContact CE-CG 3.8Å; M723-F730 HydrophobicContact CG-CD2 4.25Å; M723-F730 HydrophobicContact CG-CE2 4.09Å; M723-M737 HydrophobicContact CE-CE 4.39Å; M723-M737 HydrophobicContact CE-CG 4.44Å; M723-V832 HydrophobicContact CE-CG1 4Å; M723-V832 WeakPolarHBondContact CE-O 3.38Å; M723-V832 HydrophobicContact SD-CB 4.37Å; M723-V832 HydrophobicContact SD-CG1 4.1Å; M723-V832 HydrophobicContact SD-CG2 4.28Å; M723-C835 CarbonylContact C-O 3.57Å |
| 724 | R | 94.1 | Very high | 91.1 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 28% | 0.275 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.7 | -38.2 | 175.1 | -82 | 178.2 | 174.6 | -179 | -2.2 | 113 | R720 D721 R726 Q727 C836 E838 N839 | R720-R724 WeakPolarHBondContact O-CB 3.36Å; R720-R724 VanDerWaalsContact O-CG 3.28Å; R720-R724 WeakPolarHBondContact O-CG 3.39Å; R720-R724 PolarHBondContact O-N 3.12Å; D721-R724 PolarHBondContact O-N 3.04Å; R724-R726 VanDerWaalsContact C-N 3.28Å; R724-R726 PolarHBondContact O-N 3.02Å; R724-Q727 WeakPolarHBondContact O-CG 3.22Å; R724-Q727 PolarHBondContact O-NE2 3.24Å; R724-C836 HydrophobicContact CG-CB 3.81Å; R724-C836 WeakPolarHBondContact CG-O 3.28Å; R724-C836 VanDerWaalsContact CZ-O 3.3Å; R724-C836 PolarHBondContact NE-O 2.09Å; R724-C836 PolarHBondContact NH2-O 3.3Å; R724-E838 PolarHBondContact NH2-O 3.28Å; R724-N839 PolarHBondContact NH2-OD1 3.13Å |
| 725 | Q | 93.3 | Very high | 90.9 | Very high | 158 Ų | 158 | 61.4 Ų | 61.4 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.9 | 177 | -70.1 | 169.3 | 14.1 | 0 | 0 | 113.8 | D721 M723 | D721-Q725 WeakPolarHBondContact O-CB 3.36Å; D721-Q725 VanDerWaalsContact O-CG 3.22Å; D721-Q725 WeakPolarHBondContact O-CG 3.45Å; D721-Q725 PolarHBondContact O-N 2.85Å; M723-Q725 VanDerWaalsContact C-N 3.27Å; M723-Q725 PolarHBondContact O-N 2.84Å |
| 726 | R | 92.1 | Very high | 91 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 28% | 0.275 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 24.7 | -167.7 | -65.5 | 176.3 | 174 | -114.4 | 6.5 | 113.3 | F722 M723 R724 T728 Q729 F730 | F722-R726 VanDerWaalsContact CE2-CD 3.49Å; F722-R726 WeakPolarHBondContact O-CB 3.22Å; F722-R726 WeakPolarHBondContact O-CD 3.35Å; F722-R726 WeakPolarHBondContact O-CG 3.28Å; F722-R726 PolarHBondContact O-N 2.94Å; M723-R726 CarbonylContact O-C 3.57Å; M723-R726 PolarHBondContact O-N 3.34Å; R724-R726 VanDerWaalsContact C-N 3.28Å; R724-R726 PolarHBondContact O-N 3.02Å; R726-T728 PolarHBondContact O-N 3.06Å; R726-T728 VanDerWaalsContact O-N 3.08Å; R726-Q729 HydrophobicContact CB-CB 4.28Å; R726-Q729 HydrophobicContact CB-CG 4.27Å; R726-Q729 WeakPolarHBondContact O-CA 3.29Å; R726-Q729 WeakPolarHBondContact O-CB 3.41Å; R726-Q729 PolarHBondContact O-N 3.42Å; R726-F730 HydrophobicContact CB-CD2 4.05Å; R726-F730 HydrophobicContact CB-CE2 3.85Å; R726-F730 WeakPolarHBondContact O-CD2 3.46Å; R726-F730 PolarHBondContact O-N 2.96Å |
| 727 | Q | 88.3 | Confident | 91 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 38% | 0.379 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52.1 | -38.9 | -172.9 | -62.8 | 172.4 | 51.7 | 0 | 0 | 113 | M723 R724 Q729 F730 C731 C835 | M723-Q727 WeakPolarHBondContact O-CG 3.5Å; M723-Q727 PolarHBondContact O-N 3.23Å; R724-Q727 WeakPolarHBondContact O-CG 3.22Å; R724-Q727 PolarHBondContact O-NE2 3.24Å; Q727-Q729 VanDerWaalsContact C-N 3.31Å; Q727-Q729 PolarHBondContact O-N 3.41Å; Q727-F730 PolarHBondContact O-N 2.95Å; Q727-C731 WeakPolarHBondContact O-CB 3.48Å; Q727-C731 PolarHBondContact O-N 2.81Å; Q727-C835 HydrophobicContact CB-CB 4.1Å; Q727-C835 HydrophobicContact CG-CB 3.85Å |
| 728 | T | 86.7 | Confident | 91 | Very high | 125 Ų | 125 | 51 Ų | 51 | 77% | 0.767 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.8 | -18.5 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 114.9 | R726 | R726-T728 PolarHBondContact O-N 3.06Å; R726-T728 VanDerWaalsContact O-N 3.08Å |
| 729 | Q | 85 | Confident | 91 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -84.6 | -17.5 | 174.3 | -55.9 | 179 | -0.2 | 0 | 0 | 111.8 | R726 Q727 R733 | R726-Q729 HydrophobicContact CB-CB 4.28Å; R726-Q729 HydrophobicContact CB-CG 4.27Å; R726-Q729 WeakPolarHBondContact O-CA 3.29Å; R726-Q729 WeakPolarHBondContact O-CB 3.41Å; R726-Q729 PolarHBondContact O-N 3.42Å; Q727-Q729 VanDerWaalsContact C-N 3.31Å; Q727-Q729 PolarHBondContact O-N 3.41Å; Q729-R733 WeakPolarHBondContact O-CD 3.43Å |
| 730 | F | 85 | Confident | 90.9 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -110.2 | -24.7 | -175.8 | -72.3 | -66.9 | 0 | 0 | 0 | 114.3 | F722 M723 R726 Q727 N732 R733 V736 M737 I740 V776 | F722-F730 HydrophobicContact CD1-CE2 4.4Å; F722-F730 HydrophobicContact CD1-CZ 4.39Å; F722-F730 HydrophobicContact CE1-CE2 4.06Å; F722-F730 AromaticContact CE1-CZ 3.75Å; F722-F730 HydrophobicContact CE1-CZ 3.75Å; M723-F730 HydrophobicContact CE-CB 4.15Å; M723-F730 HydrophobicContact CE-CD1 4.01Å; M723-F730 HydrophobicContact CE-CD2 4.05Å; M723-F730 HydrophobicContact CE-CE1 4.48Å; M723-F730 HydrophobicContact CE-CG 3.8Å; M723-F730 HydrophobicContact CG-CD2 4.25Å; M723-F730 HydrophobicContact CG-CE2 4.09Å; R726-F730 HydrophobicContact CB-CD2 4.05Å; R726-F730 HydrophobicContact CB-CE2 3.85Å; R726-F730 WeakPolarHBondContact O-CD2 3.46Å; R726-F730 PolarHBondContact O-N 2.96Å; Q727-F730 PolarHBondContact O-N 2.95Å; F730-N732 PolarHBondContact O-N 2.85Å; F730-R733 PolarHBondContact O-N 3.23Å; F730-V736 HydrophobicContact CE1-CG1 4.15Å; F730-M737 HydrophobicContact CB-CE 4.03Å; F730-M737 WeakPolarHBondContact O-CE 3.28Å; F730-I740 HydrophobicContact CE1-CD1 4.23Å; F730-V776 HydrophobicContact CE1-CG2 4.06Å; F730-V776 HydrophobicContact CZ-CG2 4.03Å |
| 731 | C | 75.2 | Confident | 91 | Very high | 48 Ų | 48 | 47 Ų | 47 | 32% | 0.324 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.2 | -170.1 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | Q727 V864 | Q727-C731 WeakPolarHBondContact O-CB 3.48Å; Q727-C731 PolarHBondContact O-N 2.81Å; C731-V864 WeakPolarHBondContact O-CG1 3.49Å |
| 732 | N | 80.7 | Confident | 91 | Very high | 140 Ų | 140 | 44.6 Ų | 44.6 | 75% | 0.749 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 22.3 | 176.5 | -65 | -44 | 0 | 0 | 0 | 113.2 | F730 P734 | F730-N732 PolarHBondContact O-N 2.85Å; N732-P734 VanDerWaalsContact C-CD 3.46Å; N732-P734 WeakPolarHBondContact O-CD 3.35Å |
| 733 | R | 90.5 | Very high | 91 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | trans | -125.1 | 60.7 | -172.8 | -54.1 | -155.4 | 72.6 | 177.4 | 4.7 | 114.2 | Q729 F730 V735 V736 M737 Q773 N774 E903 | Q729-R733 WeakPolarHBondContact O-CD 3.43Å; F730-R733 PolarHBondContact O-N 3.23Å; R733-V735 PolarHBondContact O-N 3.16Å; R733-V736 HydrophobicContact CB-CB 4.12Å; R733-V736 HydrophobicContact CB-CG2 4.06Å; R733-V736 PolarHBondContact O-N 2.99Å; R733-M737 PolarHBondContact O-N 2.9Å; R733-Q773 PolarHBondContact NH1-O 2.99Å; R733-N774 PolarHBondContact NH2-OD1 2.89Å; R733-E903 WeakPolarHBondContact CA-OE1 3.4Å; R733-E903 IonicContact CZ-OE2 3.22Å; R733-E903 VanDerWaalsContact CZ-OE2 3.31Å; R733-E903 IonicContact NE-OE2 2.69Å; R733-E903 PolarHBondContact NE-OE2 3.47Å; R733-E903 IonicContact NH2-OE2 2.74Å; R733-E903 PolarHBondContact NH2-OE2 3.04Å | ||
| 734 | P | 92.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -22 | -176.6 | 28.8 | -36 | 0 | 0 | 0 | 113.4 | N732 S738 F833 P866 | N732-P734 VanDerWaalsContact C-CD 3.46Å; N732-P734 WeakPolarHBondContact O-CD 3.35Å; P734-S738 WeakPolarHBondContact O-CB 3.26Å; P734-S738 PolarHBondContact O-N 2.61Å; P734-S738 PolarHBondContact O-OG 2.95Å; P734-F833 HydrophobicContact CB-CE1 4.26Å; P734-P866 HydrophobicContact CB-CG 4.16Å |
| 735 | V | 91.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.7 | -43.7 | 175.3 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | Q460 R733 M737 S738 D739 L898 N901 E903 | Q460-V735 HydrophobicContact CG-CG1 4.02Å; R733-V735 PolarHBondContact O-N 3.16Å; V735-M737 PolarHBondContact O-N 3.07Å; V735-S738 CarbonylContact O-C 3.44Å; V735-S738 WeakPolarHBondContact O-CB 3.49Å; V735-S738 PolarHBondContact O-N 3.29Å; V735-S738 VanDerWaalsContact O-N 3.11Å; V735-D739 PolarHBondContact O-N 2.9Å; V735-L898 HydrophobicContact CG1-CD2 3.73Å; V735-L898 WeakPolarHBondContact O-CD2 3.47Å; V735-N901 VanDerWaalsContact CG1-O 3.29Å; V735-N901 WeakPolarHBondContact CG1-O 3.45Å; V735-N901 WeakPolarHBondContact CG2-O 3.35Å; V735-E903 HydrophobicContact CB-CG 4.14Å; V735-E903 VanDerWaalsContact CB-OE1 3.32Å; V735-E903 WeakPolarHBondContact CB-OE1 3.46Å; V735-E903 HydrophobicContact CG2-CG 3.82Å; V735-E903 WeakPolarHBondContact CG2-OE1 3.37Å; V735-E903 PolarHBondContact N-OE1 3.01Å |
| 736 | V | 92.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | F730 R733 S738 D739 I740 V776 | F730-V736 HydrophobicContact CE1-CG1 4.15Å; R733-V736 HydrophobicContact CB-CB 4.12Å; R733-V736 HydrophobicContact CB-CG2 4.06Å; R733-V736 PolarHBondContact O-N 2.99Å; V736-S738 VanDerWaalsContact C-N 3.29Å; V736-S738 PolarHBondContact O-N 3.08Å; V736-D739 PolarHBondContact O-N 3.12Å; V736-I740 HydrophobicContact CG1-CD1 4.49Å; V736-I740 WeakPolarHBondContact O-CG1 3.27Å; V736-I740 PolarHBondContact O-N 3.26Å; V736-I740 VanDerWaalsContact O-N 3.1Å; V736-V776 HydrophobicContact CG1-CG2 4.19Å |
| 737 | M | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 170 | -71.6 | 176.9 | 167 | 0 | 0 | 112.1 | M723 F730 R733 V735 C741 V832 F833 C835 V864 | M723-M737 HydrophobicContact CE-CE 4.39Å; M723-M737 HydrophobicContact CE-CG 4.44Å; F730-M737 HydrophobicContact CB-CE 4.03Å; F730-M737 WeakPolarHBondContact O-CE 3.28Å; R733-M737 PolarHBondContact O-N 2.9Å; V735-M737 PolarHBondContact O-N 3.07Å; M737-C741 PolarHBondContact O-N 2.92Å; M737-C741 VanDerWaalsContact O-N 3.11Å; M737-C741 PolarHBondContact O-SG 3.49Å; M737-V832 HydrophobicContact CB-CG1 3.86Å; M737-V832 HydrophobicContact CG-CG1 4.05Å; M737-F833 HydrophobicContact CB-CD1 4.15Å; M737-F833 HydrophobicContact CB-CE1 3.7Å; M737-F833 HydrophobicContact CB-CE2 4.27Å; M737-F833 HydrophobicContact CB-CZ 3.77Å; M737-F833 HydrophobicContact CG-CD1 4.45Å; M737-F833 HydrophobicContact CG-CE1 4.39Å; M737-F833 HydrophobicContact SD-CD1 3.41Å; M737-F833 WeakPolarHBondContact SD-CD1 3.22Å; M737-F833 HydrophobicContact SD-CE1 3.75Å; M737-F833 HydrophobicContact SD-CG 4.1Å; M737-C835 WeakPolarHBondContact CE-SG 3.44Å; M737-V864 HydrophobicContact CE-CG2 4.05Å; M737-V864 HydrophobicContact SD-CG2 4.03Å |
| 738 | S | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.9 | -35.8 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | P734 V735 V736 C741 A742 I894 Y897 | P734-S738 WeakPolarHBondContact O-CB 3.26Å; P734-S738 PolarHBondContact O-N 2.61Å; P734-S738 PolarHBondContact O-OG 2.95Å; V735-S738 CarbonylContact O-C 3.44Å; V735-S738 WeakPolarHBondContact O-CB 3.49Å; V735-S738 PolarHBondContact O-N 3.29Å; V735-S738 VanDerWaalsContact O-N 3.11Å; V736-S738 VanDerWaalsContact C-N 3.29Å; V736-S738 PolarHBondContact O-N 3.08Å; S738-C741 PolarHBondContact O-N 3.28Å; S738-A742 WeakPolarHBondContact O-CB 3.31Å; S738-A742 PolarHBondContact O-N 3.44Å; S738-I894 VanDerWaalsContact O-CG2 3.3Å; S738-I894 WeakPolarHBondContact O-CG2 3.44Å; S738-Y897 VanDerWaalsContact OG-CE1 3.22Å; S738-Y897 WeakPolarHBondContact OG-CE1 3.44Å |
| 739 | D | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 171.9 | 172.5 | 42.6 | 0 | 0 | 0 | 111.3 | T458 Q460 V735 V736 C741 A742 Q743 S775 | T458-D739 VanDerWaalsContact CB-OD1 3.31Å; T458-D739 WeakPolarHBondContact CB-OD1 3.38Å; T458-D739 VanDerWaalsContact CG2-OD1 3.3Å; T458-D739 WeakPolarHBondContact CG2-OD1 3.29Å; T458-D739 PolarHBondContact OG1-OD1 3.33Å; Q460-D739 HydrophobicContact CB-CB 4.1Å; Q460-D739 HydrophobicContact CG-CB 4.18Å; V735-D739 PolarHBondContact O-N 2.9Å; V736-D739 PolarHBondContact O-N 3.12Å; D739-C741 VanDerWaalsContact C-N 3.31Å; D739-C741 PolarHBondContact O-N 2.91Å; D739-A742 PolarHBondContact O-N 3.07Å; D739-Q743 WeakPolarHBondContact O-CG 3.48Å; D739-Q743 PolarHBondContact O-N 3.11Å; D739-Q743 PolarHBondContact OD1-NE2 2.91Å; D739-Q743 PolarHBondContact OD2-NE2 3.39Å; D739-Q743 VanDerWaalsContact OD2-NE2 3.09Å; D739-S775 VanDerWaalsContact OD2-CB 3.31Å; D739-S775 WeakPolarHBondContact OD2-CB 3.44Å; D739-S775 PolarHBondContact OD2-OG 3.26Å |
| 740 | I | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.6 | -45.6 | 172.6 | -70.3 | 164.9 | 0 | 0 | 0 | 111 | L719 F730 V736 V744 V776 V778 V832 | L719-I740 HydrophobicContact CD1-CD1 4.37Å; L719-I740 HydrophobicContact CD1-CG2 4.04Å; L719-I740 HydrophobicContact CD2-CG2 3.61Å; L719-I740 HydrophobicContact CG-CG2 4.46Å; F730-I740 HydrophobicContact CE1-CD1 4.23Å; V736-I740 HydrophobicContact CG1-CD1 4.49Å; V736-I740 WeakPolarHBondContact O-CG1 3.27Å; V736-I740 PolarHBondContact O-N 3.26Å; V736-I740 VanDerWaalsContact O-N 3.1Å; I740-V744 WeakPolarHBondContact O-CG2 3.26Å; I740-V744 PolarHBondContact O-N 2.96Å; I740-V776 HydrophobicContact CD1-CB 4Å; I740-V776 HydrophobicContact CD1-CG2 4.19Å; I740-V776 HydrophobicContact CG1-CB 3.97Å; I740-V778 HydrophobicContact CG1-CG1 4.48Å; I740-V778 HydrophobicContact CG2-CG1 4.31Å; I740-V778 HydrophobicContact CG2-CG2 4.34Å; I740-V832 HydrophobicContact CG2-CG1 4.26Å; I740-V832 HydrophobicContact CG2-CG2 4.03Å |
| 741 | C | 97.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.4 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | M737 S738 D739 V744 A745 F825 M829 I894 | M737-C741 PolarHBondContact O-N 2.92Å; M737-C741 VanDerWaalsContact O-N 3.11Å; M737-C741 PolarHBondContact O-SG 3.49Å; S738-C741 PolarHBondContact O-N 3.28Å; D739-C741 VanDerWaalsContact C-N 3.31Å; D739-C741 PolarHBondContact O-N 2.91Å; C741-V744 PolarHBondContact O-N 3.1Å; C741-A745 WeakPolarHBondContact O-CB 3.46Å; C741-A745 PolarHBondContact O-N 2.92Å; C741-F825 HydrophobicContact CB-CZ 4.38Å; C741-F825 WeakPolarHBondContact O-CZ 3.49Å; C741-M829 HydrophobicContact CB-CG 4.24Å; C741-I894 HydrophobicContact CB-CD1 4.02Å |
| 742 | A | 95.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | T458 S738 D739 A745 N746 I894 L898 | T458-A742 HydrophobicContact CG2-CB 4.37Å; S738-A742 WeakPolarHBondContact O-CB 3.31Å; S738-A742 PolarHBondContact O-N 3.44Å; D739-A742 PolarHBondContact O-N 3.07Å; A742-A745 PolarHBondContact O-N 3.27Å; A742-N746 WeakPolarHBondContact O-CB 3.27Å; A742-N746 PolarHBondContact O-N 2.87Å; A742-I894 HydrophobicContact CB-CB 4.39Å; A742-I894 HydrophobicContact CB-CG2 3.82Å; A742-L898 HydrophobicContact CB-CD1 3.89Å |
| 743 | Q | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.2 | -72.3 | 177.7 | 49.7 | 0 | 0 | 112.2 | T458 N693 D739 N746 G747 V776 H777 V778 | T458-Q743 HydrophobicContact CG2-CG 3.77Å; N693-Q743 WeakPolarHBondContact CB-O 3.42Å; N693-Q743 VanDerWaalsContact CG-O 3.26Å; N693-Q743 WeakPolarHBondContact ND2-CB 3.1Å; D739-Q743 WeakPolarHBondContact O-CG 3.48Å; D739-Q743 PolarHBondContact O-N 3.11Å; D739-Q743 PolarHBondContact OD1-NE2 2.91Å; D739-Q743 PolarHBondContact OD2-NE2 3.39Å; D739-Q743 VanDerWaalsContact OD2-NE2 3.09Å; Q743-N746 PolarHBondContact O-N 3.23Å; Q743-G747 PolarHBondContact O-N 2.91Å; Q743-G747 VanDerWaalsContact O-N 3.17Å; Q743-V776 PolarHBondContact NE2-O 2.83Å; Q743-V776 PolarHBondContact OE1-O 3.4Å; Q743-H777 PolarHBondContact OE1-CD2 3.37Å; Q743-V778 HydrophobicContact CB-CG2 3.53Å; Q743-V778 HydrophobicContact CG-CG2 4.44Å |
| 744 | V | 98.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | I740 C741 N746 G747 M748 L761 C766 V778 V780 F825 L828 | I740-V744 WeakPolarHBondContact O-CG2 3.26Å; I740-V744 PolarHBondContact O-N 2.96Å; C741-V744 PolarHBondContact O-N 3.1Å; V744-N746 VanDerWaalsContact C-N 3.29Å; V744-N746 PolarHBondContact O-N 3.28Å; V744-G747 PolarHBondContact O-N 3.2Å; V744-M748 WeakPolarHBondContact O-CG 3.38Å; V744-M748 PolarHBondContact O-N 3.44Å; V744-L761 HydrophobicContact CG1-CD1 4.34Å; V744-C766 HydrophobicContact CG2-CB 4.49Å; V744-V778 HydrophobicContact CG2-CG2 3.91Å; V744-V780 HydrophobicContact CB-CG2 4.39Å; V744-V780 HydrophobicContact CG1-CG2 3.95Å; V744-V780 HydrophobicContact CG2-CG2 4.39Å; V744-F825 HydrophobicContact CB-CE2 4.08Å; V744-F825 HydrophobicContact CG1-CD2 3.87Å; V744-F825 HydrophobicContact CG1-CE2 3.75Å; V744-L828 HydrophobicContact CG1-CD1 3.87Å; V744-L828 HydrophobicContact CG1-CD2 4.11Å; V744-L828 HydrophobicContact CG2-CD2 4.48Å |
| 745 | A | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C741 A742 M748 A749 F825 I890 I894 | C741-A745 WeakPolarHBondContact O-CB 3.46Å; C741-A745 PolarHBondContact O-N 2.92Å; A742-A745 PolarHBondContact O-N 3.27Å; A745-M748 CarbonylContact O-C 3.6Å; A745-M748 PolarHBondContact O-N 3.39Å; A745-A749 WeakPolarHBondContact O-CB 3.45Å; A745-A749 PolarHBondContact O-N 2.71Å; A745-F825 HydrophobicContact CB-CE1 4.47Å; A745-F825 HydrophobicContact CB-CE2 4.04Å; A745-F825 HydrophobicContact CB-CZ 3.78Å; A745-I890 HydrophobicContact CB-CG2 3.84Å; A745-I894 HydrophobicContact CB-CD1 4.46Å |
| 746 | N | 93.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 21% | 0.214 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.6 | -165.4 | 38.3 | 0 | 0 | 0 | 111.8 | H691 N693 A742 Q743 V744 M748 A749 Y750 | H691-N746 PolarHBondContact CE1-ND2 2.98Å; N693-N746 PolarHBondContact OD1-ND2 3.09Å; N693-N746 VanDerWaalsContact OD1-ND2 3.12Å; A742-N746 WeakPolarHBondContact O-CB 3.27Å; A742-N746 PolarHBondContact O-N 2.87Å; Q743-N746 PolarHBondContact O-N 3.23Å; V744-N746 VanDerWaalsContact C-N 3.29Å; V744-N746 PolarHBondContact O-N 3.28Å; N746-M748 VanDerWaalsContact C-N 3.29Å; N746-M748 PolarHBondContact O-N 3.47Å; N746-A749 PolarHBondContact O-N 2.96Å; N746-Y750 PolarHBondContact O-N 3.27Å; N746-Y750 VanDerWaalsContact O-N 3.15Å |
| 747 | G | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -38.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q743 V744 L751 | Q743-G747 PolarHBondContact O-N 2.91Å; Q743-G747 VanDerWaalsContact O-N 3.17Å; V744-G747 PolarHBondContact O-N 3.2Å; G747-L751 WeakPolarHBondContact O-CG 3.5Å; G747-L751 PolarHBondContact O-N 3.45Å |
| 748 | M | 97.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.3 | -31.4 | 176.3 | -71.2 | -57.9 | -49 | 0 | 0 | 113.8 | V744 A745 N746 L751 E752 H758 L761 V780 D821 F887 | V744-M748 WeakPolarHBondContact O-CG 3.38Å; V744-M748 PolarHBondContact O-N 3.44Å; A745-M748 CarbonylContact O-C 3.6Å; A745-M748 PolarHBondContact O-N 3.39Å; N746-M748 VanDerWaalsContact C-N 3.29Å; N746-M748 PolarHBondContact O-N 3.47Å; M748-L751 HydrophobicContact CE-CD1 4.38Å; M748-L751 PolarHBondContact O-N 3.16Å; M748-L751 HydrophobicContact SD-CD1 3.9Å; M748-E752 PolarHBondContact O-N 3.11Å; M748-H758 HydrophobicContact CE-CB 3.89Å; M748-H758 HydrophobicContact SD-CB 4.06Å; M748-L761 HydrophobicContact CE-CD2 4.14Å; M748-L761 HydrophobicContact CG-CD1 4.38Å; M748-L761 HydrophobicContact CG-CD2 3.83Å; M748-L761 HydrophobicContact SD-CD1 3.99Å; M748-L761 HydrophobicContact SD-CD2 3.79Å; M748-L761 HydrophobicContact SD-CG 4.45Å; M748-V780 HydrophobicContact SD-CG1 4.46Å; M748-D821 HydrophobicContact CE-CB 3.69Å; M748-F887 HydrophobicContact CB-CD1 3.46Å; M748-F887 VanDerWaalsContact CB-CD1 3.46Å; M748-F887 HydrophobicContact CB-CD2 3.96Å; M748-F887 HydrophobicContact CB-CE1 3.41Å; M748-F887 VanDerWaalsContact CB-CE1 3.41Å; M748-F887 HydrophobicContact CB-CE2 3.91Å; M748-F887 HydrophobicContact CB-CG 3.75Å; M748-F887 HydrophobicContact CB-CZ 3.64Å; M748-F887 HydrophobicContact CE-CE2 3.81Å; M748-F887 HydrophobicContact CE-CZ 3.84Å; M748-F887 HydrophobicContact CG-CD1 4.42Å; M748-F887 HydrophobicContact CG-CE1 3.91Å; M748-F887 HydrophobicContact CG-CZ 3.99Å |
| 749 | A | 93.7 | Very high | 91.5 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A745 N746 E752 Q753 F887 | A745-A749 WeakPolarHBondContact O-CB 3.45Å; A745-A749 PolarHBondContact O-N 2.71Å; N746-A749 PolarHBondContact O-N 2.96Å; A749-E752 PolarHBondContact O-N 3.1Å; A749-Q753 WeakPolarHBondContact O-CB 3.45Å; A749-Q753 PolarHBondContact O-N 2.92Å; A749-F887 HydrophobicContact CB-CB 3.79Å |
| 750 | Y | 90.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 18% | 0.18 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 171.5 | 176.2 | -88.7 | 0 | 0 | 0 | 111.9 | L689 N690 H691 L694 N746 E752 Q753 E754 | L689-Y750 HydrophobicContact CB-CE1 4.11Å; L689-Y750 HydrophobicContact CD2-CE1 3.93Å; N690-Y750 PolarHBondContact N-OH 2.75Å; N690-Y750 PolarHBondContact O-OH 3.02Å; H691-Y750 HydrophobicContact CB-CD1 3.86Å; H691-Y750 HydrophobicContact CB-CD2 4.07Å; H691-Y750 HydrophobicContact CB-CE1 4.1Å; H691-Y750 HydrophobicContact CB-CE2 4.3Å; H691-Y750 HydrophobicContact CB-CG 3.83Å; H691-Y750 AromaticContact CD2-CD2 3.7Å; H691-Y750 AromaticContact CD2-CG 3.75Å; H691-Y750 AromaticContact CG-CG 3.83Å; L694-Y750 HydrophobicContact CD1-CD1 3.62Å; L694-Y750 HydrophobicContact CD1-CE1 3.87Å; N746-Y750 PolarHBondContact O-N 3.27Å; N746-Y750 VanDerWaalsContact O-N 3.15Å; Y750-E752 PolarHBondContact O-N 3.06Å; Y750-Q753 PolarHBondContact O-N 2.81Å; Y750-E754 HydrophobicContact CD1-CG 4.46Å; Y750-E754 HydrophobicContact CE1-CG 4.05Å; Y750-E754 HydrophobicContact CE2-CG 4.35Å; Y750-E754 PolarHBondContact O-N 3.02Å |
| 751 | L | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.8 | -67.2 | 178.8 | 0 | 0 | 0 | 112.6 | L689 L694 G747 M748 E754 Q755 F756 F783 | L689-L751 HydrophobicContact CD1-CD2 3.88Å; L689-L751 HydrophobicContact CD2-CD2 4.48Å; L694-L751 HydrophobicContact CD1-CD2 3.71Å; L694-L751 HydrophobicContact CD1-CG 4.08Å; L694-L751 HydrophobicContact CD2-CD1 4.03Å; L694-L751 HydrophobicContact CD2-CG 4.17Å; G747-L751 WeakPolarHBondContact O-CG 3.5Å; G747-L751 PolarHBondContact O-N 3.45Å; M748-L751 HydrophobicContact CE-CD1 4.38Å; M748-L751 PolarHBondContact O-N 3.16Å; M748-L751 HydrophobicContact SD-CD1 3.9Å; L751-E754 CarbonylContact O-C 3.6Å; L751-E754 PolarHBondContact O-N 3.31Å; L751-Q755 PolarHBondContact O-N 2.9Å; L751-Q755 VanDerWaalsContact O-N 3.12Å; L751-F756 HydrophobicContact CB-CB 4.35Å; L751-F756 HydrophobicContact CD2-CB 4.05Å; L751-F756 HydrophobicContact CD2-CD1 3.97Å; L751-F756 HydrophobicContact CD2-CG 4.25Å; L751-F756 PolarHBondContact O-N 3.31Å; L751-F783 HydrophobicContact CD1-CB 4.06Å; L751-F783 HydrophobicContact CD1-CG 4.43Å |
| 752 | E | 90.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 28.1 Ų | 28.1 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.5 | -173.1 | 170.1 | -134 | 0 | 0 | 111.5 | M748 A749 Y750 Q755 A818 F887 | M748-E752 PolarHBondContact O-N 3.11Å; A749-E752 PolarHBondContact O-N 3.1Å; Y750-E752 PolarHBondContact O-N 3.06Å; E752-Q755 PolarHBondContact O-N 3.45Å; E752-Q755 VanDerWaalsContact O-N 3.16Å; E752-Q755 PolarHBondContact O-NE2 2.86Å; E752-A818 HydrophobicContact CG-CB 4.31Å; E752-F887 HydrophobicContact CB-CD2 4.26Å; E752-F887 PolarHBondContact OE2-N 2.9Å |
| 753 | Q | 86.7 | Confident | 91.3 | Very high | 132 Ų | 132 | 27.9 Ų | 27.9 | 62% | 0.617 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -61.9 | -47.1 | 174.1 | -176 | -177.2 | -69.9 | 0 | 0 | 112.2 | A749 Y750 Q755 | A749-Q753 WeakPolarHBondContact O-CB 3.45Å; A749-Q753 PolarHBondContact O-N 2.92Å; Y750-Q753 PolarHBondContact O-N 2.81Å; Q753-Q755 PolarHBondContact O-N 2.95Å; Q753-Q755 VanDerWaalsContact O-N 3.15Å |
| 754 | E | 82.6 | Confident | 91.2 | Very high | 96 Ų | 96 | 30.2 Ų | 30.2 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 5.8 | 176.4 | -65.2 | -53.3 | 120.5 | 0 | 0 | 113.4 | L689 Y750 L751 F756 | L689-E754 HydrophobicContact CD2-CB 3.9Å; L689-E754 HydrophobicContact CD2-CG 4.01Å; Y750-E754 HydrophobicContact CD1-CG 4.46Å; Y750-E754 HydrophobicContact CE1-CG 4.05Å; Y750-E754 HydrophobicContact CE2-CG 4.35Å; Y750-E754 PolarHBondContact O-N 3.02Å; L751-E754 CarbonylContact O-C 3.6Å; L751-E754 PolarHBondContact O-N 3.31Å; E754-F756 PolarHBondContact O-N 3.35Å |
| 755 | Q | 80.4 | Confident | 91.1 | Very high | 120 Ų | 120 | 30.9 Ų | 30.9 | 56% | 0.561 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 26.8 | 179.4 | -58.8 | -73.8 | -85.6 | 0 | 0 | 113.5 | L751 E752 Q753 | L751-Q755 PolarHBondContact O-N 2.9Å; L751-Q755 VanDerWaalsContact O-N 3.12Å; E752-Q755 PolarHBondContact O-N 3.45Å; E752-Q755 VanDerWaalsContact O-N 3.16Å; E752-Q755 PolarHBondContact O-NE2 2.86Å; Q753-Q755 PolarHBondContact O-N 2.95Å; Q753-Q755 VanDerWaalsContact O-N 3.15Å |
| 756 | F | 82 | Confident | 91.1 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 10% | 0.101 | 15% | 0.147 | C | C | . | . | trans | -92.9 | 150.2 | 177.2 | -156.8 | -90.6 | 0 | 0 | 0 | 110.6 | E682 M686 L689 L751 E754 F783 | E682-F756 HydrophobicContact CG-CE2 4.26Å; M686-F756 HydrophobicContact CG-CE2 3.89Å; M686-F756 HydrophobicContact CG-CZ 3.63Å; M686-F756 HydrophobicContact SD-CZ 4Å; L689-F756 HydrophobicContact CD1-CB 4.45Å; L689-F756 HydrophobicContact CD1-CD1 4.15Å; L689-F756 HydrophobicContact CD1-CD2 3.8Å; L689-F756 HydrophobicContact CD1-CE1 4.37Å; L689-F756 HydrophobicContact CD1-CE2 4.04Å; L689-F756 HydrophobicContact CD1-CG 3.86Å; L689-F756 HydrophobicContact CD1-CZ 4.31Å; L751-F756 HydrophobicContact CB-CB 4.35Å; L751-F756 HydrophobicContact CD2-CB 4.05Å; L751-F756 HydrophobicContact CD2-CD1 3.97Å; L751-F756 HydrophobicContact CD2-CG 4.25Å; L751-F756 PolarHBondContact O-N 3.31Å; E754-F756 PolarHBondContact O-N 3.35Å; F756-F783 HydrophobicContact CD1-CD2 4.46Å; F756-F783 HydrophobicContact CE1-CB 4.17Å; F756-F783 AromaticContact CE1-CD2 3.87Å; F756-F783 HydrophobicContact CE1-CD2 3.87Å; F756-F783 HydrophobicContact CZ-CD2 4.4Å | ||
| 757 | V | 85.5 | Confident | 91.3 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 19% | 0.188 | 15% | 0.146 | C | C | . | . | trans | -129 | 123.1 | -173.2 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | R759 Y816 D821 | V757-R759 HydrophobicContact CG1-CG 3.93Å; V757-Y816 HydrophobicContact CG1-CD1 3.6Å; V757-Y816 HydrophobicContact CG1-CE1 4.16Å; V757-D821 WeakPolarHBondContact CA-OD2 3.44Å; V757-D821 VanDerWaalsContact CG1-OD2 3.26Å; V757-D821 WeakPolarHBondContact CG1-OD2 3.35Å | ||
| 758 | H | 91 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -74.1 | -41.2 | -169.2 | -171.8 | -61.7 | 0 | 0 | 0 | 112.8 | M748 D760 L761 V780 A781 G784 D821 | M748-H758 HydrophobicContact CE-CB 3.89Å; M748-H758 HydrophobicContact SD-CB 4.06Å; H758-D760 PolarHBondContact CE1-O 3.48Å; H758-D760 VanDerWaalsContact ND1-C 3.26Å; H758-D760 PolarHBondContact ND1-N 3.01Å; H758-D760 PolarHBondContact ND1-O 2.89Å; H758-D760 PolarHBondContact O-N 3.11Å; H758-L761 HydrophobicContact CB-CB 4.4Å; H758-L761 PolarHBondContact ND1-N 2.72Å; H758-V780 WeakPolarHBondContact CD2-CG1 3.41Å; H758-V780 WeakPolarHBondContact NE2-CG1 3.37Å; H758-A781 PolarHBondContact CE1-O 3.47Å; H758-A781 PolarHBondContact NE2-O 2.89Å; H758-A781 VanDerWaalsContact NE2-O 3.08Å; H758-G784 PolarHBondContact O-N 3.32Å; H758-D821 WeakPolarHBondContact CB-OD1 3.45Å; H758-D821 PolarHBondContact N-OD1 3Å; H758-D821 PolarHBondContact N-OD2 3.48Å | ||
| 759 | R | 88.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 11% | 0.109 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 71.2 | -32.3 | 176.5 | -55.2 | 170.2 | 177.3 | -113.7 | -1.2 | 117.2 | V757 A786 Y816 D821 | V757-R759 HydrophobicContact CG1-CG 3.93Å; R759-A786 HydrophobicContact CB-CB 4.06Å; R759-Y816 HydrophobicContact CB-CD1 4.47Å; R759-Y816 HydrophobicContact CB-CD2 4.47Å; R759-Y816 HydrophobicContact CB-CE1 4.44Å; R759-Y816 HydrophobicContact CB-CE2 4.43Å; R759-Y816 HydrophobicContact CG-CD1 4.05Å; R759-Y816 HydrophobicContact CG-CE1 4.44Å; R759-Y816 HydrophobicContact CG-CG 4.12Å; R759-Y816 WeakPolarHBondContact O-CE2 3.46Å; R759-Y816 PolarHBondContact O-OH 3.19Å; R759-Y816 VanDerWaalsContact O-OH 3.14Å; R759-D821 PolarHBondContact N-OD1 3.24Å |
| 760 | D | 89 | Confident | 91.1 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -127.6 | 51.5 | 178.1 | -170.4 | 22.6 | 0 | 0 | 0 | 112 | H758 A762 R764 N765 A786 P803 | H758-D760 PolarHBondContact CE1-O 3.48Å; H758-D760 VanDerWaalsContact ND1-C 3.26Å; H758-D760 PolarHBondContact ND1-N 3.01Å; H758-D760 PolarHBondContact ND1-O 2.89Å; H758-D760 PolarHBondContact O-N 3.11Å; D760-A762 PolarHBondContact O-N 2.93Å; D760-R764 IonicContact OD1-CZ 2.71Å; D760-R764 IonicContact OD1-NE 3.16Å; D760-R764 PolarHBondContact OD1-NE 2.81Å; D760-R764 IonicContact OD1-NH2 3.01Å; D760-R764 PolarHBondContact OD1-NH2 3.14Å; D760-R764 IonicContact OD2-NE 2.7Å; D760-N765 PolarHBondContact O-ND2 2.91Å; D760-N765 PolarHBondContact OD2-ND2 2.95Å; D760-A786 HydrophobicContact CB-CB 4.13Å; D760-P803 WeakPolarHBondContact OD1-CG 3.43Å |
| 761 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -79.3 | 118.8 | -178.4 | -178.4 | 64 | 0 | 0 | 0 | 110.9 | V744 M748 H758 V780 S824 F825 L828 F887 | V744-L761 HydrophobicContact CG1-CD1 4.34Å; M748-L761 HydrophobicContact CE-CD2 4.14Å; M748-L761 HydrophobicContact CG-CD1 4.38Å; M748-L761 HydrophobicContact CG-CD2 3.83Å; M748-L761 HydrophobicContact SD-CD1 3.99Å; M748-L761 HydrophobicContact SD-CD2 3.79Å; M748-L761 HydrophobicContact SD-CG 4.45Å; H758-L761 HydrophobicContact CB-CB 4.4Å; H758-L761 PolarHBondContact ND1-N 2.72Å; L761-V780 HydrophobicContact CD1-CG1 3.92Å; L761-S824 WeakPolarHBondContact O-CB 3.34Å; L761-F825 HydrophobicContact CD2-CB 3.76Å; L761-F825 HydrophobicContact CD2-CD2 4.33Å; L761-L828 HydrophobicContact CD1-CD1 3.72Å; L761-L828 HydrophobicContact CG-CD1 3.85Å; L761-F887 HydrophobicContact CD2-CZ 4.5Å | ||
| 762 | A | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -163.9 | 164.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D760 R764 N765 C766 W806 | D760-A762 PolarHBondContact O-N 2.93Å; A762-R764 HydrophobicContact CB-CG 3.67Å; A762-R764 PolarHBondContact O-N 2.98Å; A762-R764 VanDerWaalsContact O-N 3.14Å; A762-N765 PolarHBondContact O-N 3.42Å; A762-C766 PolarHBondContact O-N 2.95Å; A762-W806 HydrophobicContact CB-CD2 4.31Å; A762-W806 HydrophobicContact CB-CG 4.2Å |
| 763 | A | 97.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.1 | -22.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R720 N765 E831 | R720-A763 HydrophobicContact CB-CB 4.05Å; R720-A763 PolarHBondContact N-O 3.36Å; A763-N765 VanDerWaalsContact C-N 3.27Å; A763-N765 PolarHBondContact O-N 3.29Å; A763-E831 HydrophobicContact CB-CB 3.87Å; A763-E831 HydrophobicContact CB-CG 4.37Å; A763-E831 PolarHBondContact N-OE2 2.87Å |
| 764 | R | 94.8 | Very high | 89.4 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -64.6 | -27.8 | 170.4 | 53.3 | 162.9 | 176 | -69.8 | -8.2 | 113.8 | S718 D760 A762 W806 | S718-R764 WeakPolarHBondContact CB-O 3.34Å; D760-R764 IonicContact OD1-CZ 2.71Å; D760-R764 IonicContact OD1-NE 3.16Å; D760-R764 PolarHBondContact OD1-NE 2.81Å; D760-R764 IonicContact OD1-NH2 3.01Å; D760-R764 PolarHBondContact OD1-NH2 3.14Å; D760-R764 IonicContact OD2-NE 2.7Å; A762-R764 HydrophobicContact CB-CG 3.67Å; A762-R764 PolarHBondContact O-N 2.98Å; A762-R764 VanDerWaalsContact O-N 3.14Å; R764-W806 VanDerWaalsContact NH1-CZ3 3.34Å |
| 765 | N | 95.2 | Very high | 89.7 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -109.3 | 13.9 | -173.8 | -64.4 | -5.4 | 0 | 0 | 0 | 111.4 | D760 A762 A763 A781 | D760-N765 PolarHBondContact O-ND2 2.91Å; D760-N765 PolarHBondContact OD2-ND2 2.95Å; A762-N765 PolarHBondContact O-N 3.42Å; A763-N765 VanDerWaalsContact C-N 3.27Å; A763-N765 PolarHBondContact O-N 3.29Å; N765-A781 WeakPolarHBondContact O-CA 3.4Å; N765-A781 WeakPolarHBondContact O-CB 3.49Å; N765-A781 PolarHBondContact O-N 3.21Å |
| 766 | C | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.5 | 161.1 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | S718 L719 V744 A762 K779 | S718-C766 CarbonylContact C-O 3.49Å; S718-C766 WeakPolarHBondContact CA-O 3.43Å; L719-C766 HydrophobicContact CB-CB 3.95Å; L719-C766 HydrophobicContact CD2-CB 3.97Å; L719-C766 PolarHBondContact N-O 3.06Å; V744-C766 HydrophobicContact CG2-CB 4.49Å; A762-C766 PolarHBondContact O-N 2.95Å; C766-K779 CarbonylContact C-O 3.24Å; C766-K779 WeakPolarHBondContact CA-O 3.39Å |
| 767 | L | 97.5 | Very high | 90.7 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.209 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146 | -178.2 | -55.6 | -175.4 | 0 | 0 | 0 | 110.5 | V695 M714 G717 V778 K779 A781 | V695-L767 HydrophobicContact CG2-CB 4.41Å; V695-L767 HydrophobicContact CG2-CD1 4.22Å; M714-L767 HydrophobicContact CB-CB 3.76Å; M714-L767 HydrophobicContact CB-CD1 3.9Å; M714-L767 HydrophobicContact CB-CG 4.45Å; M714-L767 VanDerWaalsContact CE-C 3.49Å; M714-L767 HydrophobicContact CE-CB 3.69Å; M714-L767 VanDerWaalsContact CE-O 3.22Å; M714-L767 WeakPolarHBondContact CE-O 3.34Å; M714-L767 HydrophobicContact CG-CB 3.79Å; M714-L767 HydrophobicContact CG-CD1 3.79Å; M714-L767 HydrophobicContact CG-CG 4.45Å; G717-L767 VanDerWaalsContact O-CA 3.32Å; G717-L767 WeakPolarHBondContact O-CA 3.34Å; L767-V778 WeakPolarHBondContact O-CA 3.44Å; L767-K779 PolarHBondContact N-O 3.27Å; L767-K779 PolarHBondContact O-N 3.15Å; L767-A781 HydrophobicContact CD1-CB 3.9Å; L767-A781 HydrophobicContact CG-CB 3.88Å |
| 768 | V | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.8 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | H716 G717 L719 F722 I771 V776 V778 | H716-V768 HydrophobicContact CB-CB 3.71Å; H716-V768 HydrophobicContact CB-CG1 3.7Å; G717-V768 PolarHBondContact O-N 3.03Å; L719-V768 HydrophobicContact CB-CG2 4.41Å; L719-V768 HydrophobicContact CD1-CG2 4.18Å; F722-V768 HydrophobicContact CB-CG2 4.22Å; F722-V768 HydrophobicContact CD1-CG2 3.8Å; F722-V768 HydrophobicContact CE1-CG1 4.43Å; F722-V768 HydrophobicContact CE1-CG2 4.31Å; F722-V768 HydrophobicContact CG-CG2 4Å; F722-V768 HydrophobicContact CZ-CG1 4.46Å; V768-I771 HydrophobicContact CG1-CG1 4.15Å; V768-V776 HydrophobicContact CG1-CG1 3.68Å; V768-V776 HydrophobicContact CG2-CG1 4.1Å; V768-V778 HydrophobicContact CG2-CG1 4.13Å |
| 769 | K | 92.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 18% | 0.183 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -53.4 | -178.9 | -160.2 | -161.8 | -174.7 | -163.1 | 0 | 111.4 | E620 M714 K715 H777 | E620-K769 IonicContact OE2-NZ 2.68Å; E620-K769 PolarHBondContact OE2-NZ 2.92Å; M714-K769 HydrophobicContact CE-CB 3.78Å; M714-K769 HydrophobicContact CE-CG 4.34Å; M714-K769 HydrophobicContact SD-CB 4.23Å; M714-K769 HydrophobicContact SD-CG 4.16Å; K715-K769 WeakPolarHBondContact CE-O 3.35Å; K769-H777 HydrophobicContact CB-CB 4.33Å; K769-H777 PolarHBondContact N-O 2.76Å |
| 770 | S | 90.5 | Very high | 92 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 13% | 0.126 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.9 | -173.9 | 51 | 0 | 0 | 0 | 0 | 110.6 | H777 | S770-H777 PolarHBondContact O-N 2.92Å; S770-H777 WeakPolarHBondContact OG-CB 3.39Å |
| 771 | I | 89.5 | Confident | 92.2 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 30% | 0.303 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.7 | -174.4 | -50.4 | 159.8 | 0 | 0 | 0 | 107 | F722 V768 | F722-I771 HydrophobicContact CE2-CD1 3.41Å; F722-I771 VanDerWaalsContact CE2-CD1 3.41Å; F722-I771 HydrophobicContact CE2-CG1 4.12Å; F722-I771 HydrophobicContact CZ-CD1 3.49Å; F722-I771 VanDerWaalsContact CZ-CD1 3.49Å; F722-I771 HydrophobicContact CZ-CG1 3.75Å; V768-I771 HydrophobicContact CG1-CG1 4.15Å |
| 772 | N | 82.7 | Confident | 91.8 | Very high | 77 Ų | 77 | 28.8 Ų | 28.8 | 41% | 0.412 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 170.6 | 172.5 | -62.6 | -3.3 | 0 | 0 | 0 | 108.8 | A464 N774 S775 | A464-N772 HydrophobicContact CB-CB 3.88Å; N772-N774 VanDerWaalsContact C-N 3.28Å; N772-N774 PolarHBondContact O-N 3.41Å; N772-S775 PolarHBondContact N-O 3.3Å; N772-S775 PolarHBondContact O-N 3.42Å; N772-S775 VanDerWaalsContact O-O 3.13Å |
| 773 | Q | 74.6 | Confident | 91.1 | Very high | 169 Ų | 169 | 29 Ų | 29 | 79% | 0.79 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -39.1 | -174 | -172.4 | 174.3 | -2.3 | 0 | 0 | 114.2 | R733 | R733-Q773 PolarHBondContact NH1-O 2.99Š|
| 774 | N | 77.8 | Confident | 90 | Very high | 29 Ų | 29 | 29 Ų | 29 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 12.2 | -176.7 | -72.6 | -0.6 | 0 | 0 | 0 | 114 | R733 N772 | R733-N774 PolarHBondContact NH2-OD1 2.89Å; N772-N774 VanDerWaalsContact C-N 3.28Å; N772-N774 PolarHBondContact O-N 3.41Å |
| 775 | S | 87.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.2 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | D739 N772 | D739-S775 VanDerWaalsContact OD2-CB 3.31Å; D739-S775 WeakPolarHBondContact OD2-CB 3.44Å; D739-S775 PolarHBondContact OD2-OG 3.26Å; N772-S775 PolarHBondContact N-O 3.3Å; N772-S775 PolarHBondContact O-N 3.42Å; N772-S775 VanDerWaalsContact O-O 3.13Å |
| 776 | V | 92.6 | Very high | 87.2 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.5 | 173.3 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | F722 F730 V736 I740 Q743 V768 V778 | F722-V776 HydrophobicContact CD1-CG1 4.48Å; F722-V776 HydrophobicContact CE1-CG1 3.77Å; F722-V776 HydrophobicContact CE1-CG2 4.2Å; F722-V776 HydrophobicContact CZ-CG1 4.43Å; F730-V776 HydrophobicContact CE1-CG2 4.06Å; F730-V776 HydrophobicContact CZ-CG2 4.03Å; V736-V776 HydrophobicContact CG1-CG2 4.19Å; I740-V776 HydrophobicContact CD1-CB 4Å; I740-V776 HydrophobicContact CD1-CG2 4.19Å; I740-V776 HydrophobicContact CG1-CB 3.97Å; Q743-V776 PolarHBondContact NE2-O 2.83Å; Q743-V776 PolarHBondContact OE1-O 3.4Å; V768-V776 HydrophobicContact CG1-CG1 3.68Å; V768-V776 HydrophobicContact CG2-CG1 4.1Å; V776-V778 HydrophobicContact CG1-CG1 4.11Å; V776-V778 PolarHBondContact O-N 2.61Å |
| 777 | H | 92.3 | Very high | 85.8 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 17% | 0.167 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.1 | -178.5 | -171.7 | -175 | 0 | 0 | 0 | 110.2 | Q743 K769 S770 | Q743-H777 PolarHBondContact OE1-CD2 3.37Å; K769-H777 HydrophobicContact CB-CB 4.33Å; K769-H777 PolarHBondContact N-O 2.76Å; S770-H777 PolarHBondContact O-N 2.92Å; S770-H777 WeakPolarHBondContact OG-CB 3.39Å |
| 778 | V | 97 | Very high | 84 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.5 | -176.8 | -64 | 0 | 0 | 0 | 0 | 113 | N693 L719 I740 Q743 V744 L767 V768 V776 | N693-V778 PolarHBondContact ND2-O 3.25Å; L719-V778 HydrophobicContact CD1-CG1 4.07Å; L719-V778 HydrophobicContact CD2-CG1 4.47Å; I740-V778 HydrophobicContact CG1-CG1 4.48Å; I740-V778 HydrophobicContact CG2-CG1 4.31Å; I740-V778 HydrophobicContact CG2-CG2 4.34Å; Q743-V778 HydrophobicContact CB-CG2 3.53Å; Q743-V778 HydrophobicContact CG-CG2 4.44Å; V744-V778 HydrophobicContact CG2-CG2 3.91Å; L767-V778 WeakPolarHBondContact O-CA 3.44Å; V768-V778 HydrophobicContact CG2-CG1 4.13Å; V776-V778 HydrophobicContact CG1-CG1 4.11Å; V776-V778 PolarHBondContact O-N 2.61Å |
| 779 | K | 97.3 | Very high | 82.1 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.1 | 173.7 | -71.2 | 173.2 | 162.3 | -109 | 0 | 110.8 | P692 N693 L694 V695 E712 M714 C766 L767 | P692-K779 WeakPolarHBondContact O-CE 3.22Å; P692-K779 WeakPolarHBondContact O-CG 3.32Å; P692-K779 PolarHBondContact O-NZ 2.85Å; N693-K779 CarbonylContact O-C 3.54Å; N693-K779 VanDerWaalsContact O-CA 3.31Å; N693-K779 WeakPolarHBondContact O-CA 3.24Å; L694-K779 WeakPolarHBondContact O-CD 3.44Å; L694-K779 PolarHBondContact O-NZ 2.96Å; V695-K779 HydrophobicContact CG2-CB 3.52Å; V695-K779 HydrophobicContact CG2-CD 4.26Å; E712-K779 VanDerWaalsContact CD-NZ 3.32Å; E712-K779 IonicContact OE1-NZ 3.58Å; E712-K779 PolarHBondContact OE1-NZ 3.5Å; E712-K779 WeakPolarHBondContact OE2-CE 3.47Å; E712-K779 IonicContact OE2-NZ 3.61Å; E712-K779 PolarHBondContact OE2-NZ 2.84Å; E712-K779 VanDerWaalsContact OE2-NZ 3.16Å; M714-K779 HydrophobicContact CE-CB 3.84Å; M714-K779 HydrophobicContact CE-CD 3.73Å; M714-K779 HydrophobicContact CE-CG 4.07Å; M714-K779 HydrophobicContact SD-CD 3.89Å; C766-K779 CarbonylContact C-O 3.24Å; C766-K779 WeakPolarHBondContact CA-O 3.39Å; L767-K779 PolarHBondContact N-O 3.27Å; L767-K779 PolarHBondContact O-N 3.15Å |
| 780 | V | 97.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.5 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | N693 L694 V695 V744 M748 H758 L761 | N693-V780 PolarHBondContact O-N 2.95Å; L694-V780 HydrophobicContact CD2-CB 3.87Å; V695-V780 PolarHBondContact N-O 3.3Å; V744-V780 HydrophobicContact CB-CG2 4.39Å; V744-V780 HydrophobicContact CG1-CG2 3.95Å; V744-V780 HydrophobicContact CG2-CG2 4.39Å; M748-V780 HydrophobicContact SD-CG1 4.46Å; H758-V780 WeakPolarHBondContact CD2-CG1 3.41Å; H758-V780 WeakPolarHBondContact NE2-CG1 3.37Å; L761-V780 HydrophobicContact CD1-CG1 3.92Å |
| 781 | A | 94.1 | Very high | 78.3 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | trans | -129.9 | 169.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V695 H758 N765 L767 F783 | V695-A781 HydrophobicContact CB-CB 4.04Å; V695-A781 HydrophobicContact CG1-CB 4.49Å; V695-A781 HydrophobicContact CG2-CB 3.78Å; H758-A781 PolarHBondContact CE1-O 3.47Å; H758-A781 PolarHBondContact NE2-O 2.89Å; H758-A781 VanDerWaalsContact NE2-O 3.08Å; N765-A781 WeakPolarHBondContact O-CA 3.4Å; N765-A781 WeakPolarHBondContact O-CB 3.49Å; N765-A781 PolarHBondContact O-N 3.21Å; L767-A781 HydrophobicContact CD1-CB 3.9Å; L767-A781 HydrophobicContact CG-CB 3.88Å; A781-F783 PolarHBondContact O-N 2.76Å | ||
| 782 | D | 87.4 | Confident | 76.4 | Confident | 46 Ų | 46 | 36 Ų | 36 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 58.5 | 13.4 | 178.4 | -72.5 | -6.1 | 0 | 0 | 0 | 115.7 | K667 G784 M785 | K667-D782 IonicContact NZ-OD1 3.93Å; K667-D782 PolarHBondContact NZ-OD1 3.35Å; K667-D782 IonicContact NZ-OD2 3.95Å; K667-D782 PolarHBondContact NZ-OD2 2.85Å; D782-G784 PolarHBondContact O-N 2.86Å; D782-M785 HydrophobicContact CB-SD 4.19Å; D782-M785 WeakPolarHBondContact O-CB 3.17Å; D782-M785 WeakPolarHBondContact O-CG 3.38Å; D782-M785 PolarHBondContact O-N 3Å; D782-M785 VanDerWaalsContact O-N 3.14Å |
| 783 | F | 80.9 | Confident | 74.7 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.3 | 179.8 | 46 | -95.4 | 0 | 0 | 0 | 112.2 | M686 L689 L694 V695 L751 F756 A781 M785 | M686-F783 HydrophobicContact CB-CE2 4.3Å; M686-F783 HydrophobicContact CE-CD2 3.94Å; M686-F783 HydrophobicContact CE-CE2 3.99Å; M686-F783 WeakPolarHBondContact CE-O 3.36Å; M686-F783 HydrophobicContact CG-CD2 4.47Å; M686-F783 HydrophobicContact CG-CE2 4.3Å; L689-F783 HydrophobicContact CB-CE2 4.37Å; L689-F783 HydrophobicContact CD1-CD2 4.18Å; L689-F783 HydrophobicContact CD1-CE2 3.89Å; L694-F783 HydrophobicContact CB-CE1 4.23Å; L694-F783 HydrophobicContact CD2-CD1 4.37Å; L694-F783 HydrophobicContact CD2-CE1 4.36Å; V695-F783 WeakPolarHBondContact O-CE1 3.32Å; L751-F783 HydrophobicContact CD1-CB 4.06Å; L751-F783 HydrophobicContact CD1-CG 4.43Å; F756-F783 HydrophobicContact CD1-CD2 4.46Å; F756-F783 HydrophobicContact CE1-CB 4.17Å; F756-F783 AromaticContact CE1-CD2 3.87Å; F756-F783 HydrophobicContact CE1-CD2 3.87Å; F756-F783 HydrophobicContact CZ-CD2 4.4Å; A781-F783 PolarHBondContact O-N 2.76Å; F783-M785 PolarHBondContact O-N 3.02Å |
| 784 | G | 75.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -18.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H758 D782 A786 R787 F788 | H758-G784 PolarHBondContact O-N 3.32Å; D782-G784 PolarHBondContact O-N 2.86Å; G784-A786 VanDerWaalsContact C-N 3.26Å; G784-A786 PolarHBondContact O-N 2.81Å; G784-A786 VanDerWaalsContact O-N 3.12Å; G784-R787 WeakPolarHBondContact O-CB 3.29Å; G784-R787 PolarHBondContact O-N 3.48Å; G784-F788 VanDerWaalsContact O-CE2 3.29Å; G784-F788 WeakPolarHBondContact O-CE2 3.31Å |
| 785 | M | 70.8 | Confident | 72.6 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -58.1 | -32.4 | -172.2 | -70.7 | -164.5 | 63.3 | 0 | 0 | 114.8 | F651 K667 M669 I709 D782 F783 R787 F788 | F651-M785 HydrophobicContact CB-CE 4.45Å; K667-M785 HydrophobicContact CD-CE 4.06Å; K667-M785 HydrophobicContact CD-SD 4.19Å; K667-M785 PolarHBondContact NZ-SD 3.27Å; M669-M785 HydrophobicContact CE-CE 3.39Å; M669-M785 HydrophobicContact SD-CE 3.61Å; I709-M785 HydrophobicContact CD1-CE 3.32Å; I709-M785 HydrophobicContact CD1-SD 3.93Å; D782-M785 HydrophobicContact CB-SD 4.19Å; D782-M785 WeakPolarHBondContact O-CB 3.17Å; D782-M785 WeakPolarHBondContact O-CG 3.38Å; D782-M785 PolarHBondContact O-N 3Å; D782-M785 VanDerWaalsContact O-N 3.14Å; F783-M785 PolarHBondContact O-N 3.02Å; M785-R787 PolarHBondContact O-N 2.79Å; M785-F788 WeakPolarHBondContact O-CD2 3.44Å; M785-F788 PolarHBondContact O-N 3.13Å |
| 786 | A | 60.2 | Low | 71.1 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -66.8 | -2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F651 R759 D760 G784 | F651-A786 HydrophobicContact CZ-CB 4.31Å; R759-A786 HydrophobicContact CB-CB 4.06Å; D760-A786 HydrophobicContact CB-CB 4.13Å; G784-A786 VanDerWaalsContact C-N 3.26Å; G784-A786 PolarHBondContact O-N 2.81Å; G784-A786 VanDerWaalsContact O-N 3.12Å |
| 787 | R | 67.5 | Low | 69.1 | Low | 51 Ų | 51 | 38.6 Ų | 38.6 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -75.5 | -30 | 177 | -177.1 | 175 | -164.2 | 159.8 | 0.4 | 114.5 | K21 E682 G784 M785 | K21-R787 PolarHBondContact O-NH1 3.47Å; K21-R787 PolarHBondContact O-NH2 3.18Å; E682-R787 WeakPolarHBondContact OE1-CD 3.49Å; E682-R787 IonicContact OE1-CZ 3.58Å; E682-R787 IonicContact OE1-NE 3.52Å; E682-R787 IonicContact OE1-NH1 2.74Å; E682-R787 PolarHBondContact OE1-NH1 3.46Å; E682-R787 IonicContact OE2-CZ 3.51Å; E682-R787 IonicContact OE2-NE 2.67Å; E682-R787 IonicContact OE2-NH1 2.77Å; E682-R787 PolarHBondContact OE2-NH1 3.36Å; G784-R787 WeakPolarHBondContact O-CB 3.29Å; G784-R787 PolarHBondContact O-N 3.48Å; M785-R787 PolarHBondContact O-N 2.79Å |
| 788 | F | 60.6 | Low | 67 | Low | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -96.5 | -7.5 | -166.6 | -44 | -68.7 | 0 | 0 | 0 | 113.4 | M674 N675 D678 F679 E682 G784 M785 L790 | M674-F788 CarbonylContact C-O 3.59Å; M674-F788 WeakPolarHBondContact CA-O 3.32Å; M674-F788 HydrophobicContact CB-CB 3.94Å; M674-F788 WeakPolarHBondContact CB-O 3.31Å; N675-F788 PolarHBondContact N-O 2.99Å; D678-F788 HydrophobicContact CB-CD1 3.87Å; D678-F788 HydrophobicContact CB-CE1 4.47Å; D678-F788 WeakPolarHBondContact O-CD1 3.31Å; D678-F788 WeakPolarHBondContact O-CE1 3.15Å; F679-F788 HydrophobicContact CB-CB 4.13Å; F679-F788 HydrophobicContact CB-CD1 4.32Å; F679-F788 HydrophobicContact CB-CD2 4.27Å; F679-F788 HydrophobicContact CB-CG 3.92Å; F679-F788 AromaticContact CD2-CD2 3.76Å; F679-F788 HydrophobicContact CD2-CD2 3.76Å; F679-F788 HydrophobicContact CD2-CE2 4.17Å; F679-F788 HydrophobicContact CD2-CG 4.28Å; E682-F788 HydrophobicContact CB-CE1 3.55Å; E682-F788 HydrophobicContact CB-CE2 4.23Å; E682-F788 HydrophobicContact CB-CZ 3.24Å; E682-F788 HydrophobicContact CG-CE1 4.18Å; E682-F788 HydrophobicContact CG-CZ 3.64Å; G784-F788 VanDerWaalsContact O-CE2 3.29Å; G784-F788 WeakPolarHBondContact O-CE2 3.31Å; M785-F788 WeakPolarHBondContact O-CD2 3.44Å; M785-F788 PolarHBondContact O-N 3.13Å; F788-L790 PolarHBondContact O-N 3Å |
| 789 | L | 56.7 | Low | 64.6 | Low | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -50.7 | 130.1 | 173.5 | -65.1 | 175.2 | 0 | 0 | 0 | 109.5 | F651 D791 N792 K801 | F651-L789 HydrophobicContact CD1-CD2 4.15Å; F651-L789 HydrophobicContact CE1-CD1 4.14Å; F651-L789 HydrophobicContact CE1-CD2 3.94Å; F651-L789 HydrophobicContact CE1-CG 4.19Å; L789-D791 PolarHBondContact O-N 3.38Å; L789-N792 PolarHBondContact O-ND2 2.84Å; L789-K801 HydrophobicContact CD1-CB 4.21Å; L789-K801 HydrophobicContact CD2-CD 4.43Å |
| 790 | L | 49.6 | Very low | 62.4 | Low | 93 Ų | 93 | 44.1 Ų | 44.1 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -66.9 | -30.5 | 178.5 | -63.1 | -179.8 | 0 | 0 | 0 | 111.5 | G672 N675 F788 N792 | G672-L790 VanDerWaalsContact O-CD1 3.29Å; G672-L790 WeakPolarHBondContact O-CD1 3.44Å; N675-L790 HydrophobicContact CB-CD2 3.86Å; F788-L790 PolarHBondContact O-N 3Å; L790-N792 PolarHBondContact O-N 2.99Å; L790-N792 PolarHBondContact O-ND2 2.94Å |
| 791 | D | 52.9 | Low | 60.7 | Low | 78 Ų | 78 | 48 Ų | 48 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | trans | -67.9 | 66.2 | 175.6 | -52.9 | -38.1 | 0 | 0 | 0 | 112 | L789 V793 K801 | L789-D791 PolarHBondContact O-N 3.38Å; D791-V793 PolarHBondContact O-N 2.8Å; D791-V793 VanDerWaalsContact O-N 3.16Å; D791-K801 IonicContact OD2-NZ 3.14Å; D791-K801 PolarHBondContact OD2-NZ 2.87Å | ||
| 792 | N | 49.7 | Very low | 59.7 | Low | 96 Ų | 96 | 49 Ų | 49 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | trans | -77.8 | 11 | -175.9 | -76.9 | -94.4 | 0 | 0 | 0 | 114.4 | L789 L790 Y794 | L789-N792 PolarHBondContact O-ND2 2.84Å; L790-N792 PolarHBondContact O-N 2.99Å; L790-N792 PolarHBondContact O-ND2 2.94Å; N792-Y794 PolarHBondContact O-N 3.48Å | ||
| 793 | V | 47.7 | Very low | 59.5 | Low | 83 Ų | 83 | 47.6 Ų | 47.6 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | trans | -90.2 | 96.2 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | D791 E795 | D791-V793 PolarHBondContact O-N 2.8Å; D791-V793 VanDerWaalsContact O-N 3.16Å; V793-E795 HydrophobicContact CG1-CB 4.12Å; V793-E795 HydrophobicContact CG1-CG 3.78Å; V793-E795 PolarHBondContact O-N 2.81Å | ||
| 794 | Y | 55.4 | Low | 59.9 | Low | 57 Ų | 57 | 47.6 Ų | 47.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -76.3 | 71.1 | 174.6 | -62.1 | -67.2 | 0 | 0 | 0 | 111.3 | N792 F802 V811 F812 | N792-Y794 PolarHBondContact O-N 3.48Å; Y794-F802 HydrophobicContact CD1-CD1 4.39Å; Y794-F802 AromaticContact CD1-CD2 3.42Å; Y794-F802 HydrophobicContact CD1-CD2 3.42Å; Y794-F802 VanDerWaalsContact CD1-CD2 3.42Å; Y794-F802 HydrophobicContact CD1-CE1 4.45Å; Y794-F802 AromaticContact CD1-CE2 3.52Å; Y794-F802 HydrophobicContact CD1-CE2 3.52Å; Y794-F802 AromaticContact CD1-CG 3.92Å; Y794-F802 HydrophobicContact CD1-CG 3.92Å; Y794-F802 HydrophobicContact CD1-CZ 4.06Å; Y794-F802 AromaticContact CE1-CD2 3.45Å; Y794-F802 HydrophobicContact CE1-CD2 3.45Å; Y794-F802 VanDerWaalsContact CE1-CD2 3.45Å; Y794-F802 AromaticContact CE1-CE2 3.48Å; Y794-F802 HydrophobicContact CE1-CE2 3.48Å; Y794-F802 VanDerWaalsContact CE1-CE2 3.48Å; Y794-F802 HydrophobicContact CE1-CG 4.36Å; Y794-F802 HydrophobicContact CE1-CZ 4.39Å; Y794-V811 HydrophobicContact CD1-CG1 4.39Å; Y794-V811 HydrophobicContact CG-CG1 4.47Å; Y794-F812 WeakPolarHBondContact O-CD1 3.34Å | ||
| 795 | E | 53 | Low | 60.8 | Low | 92 Ų | 92 | 49.7 Ų | 49.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | trans | -105.9 | 134.3 | 174 | -88.8 | -175.2 | -142.2 | 0 | 0 | 111.9 | V793 S797 A798 | V793-E795 HydrophobicContact CG1-CB 4.12Å; V793-E795 HydrophobicContact CG1-CG 3.78Å; V793-E795 PolarHBondContact O-N 2.81Å; E795-S797 PolarHBondContact O-N 3.06Å; E795-S797 PolarHBondContact OE2-OG 3.37Å; E795-A798 HydrophobicContact CB-CB 3.78Å | ||
| 796 | P | 54.8 | Low | 61.9 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 14% | 0.143 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -66.6 | -27.2 | 172.2 | -16.4 | 29.1 | 0 | 0 | 0 | 113.5 | F812 Y850 | P796-F812 HydrophobicContact CB-CE1 4.33Å; P796-F812 HydrophobicContact CG-CD1 3.57Å; P796-F812 HydrophobicContact CG-CE1 3.82Å; P796-F812 HydrophobicContact CG-CG 4Å; P796-F812 HydrophobicContact CG-CZ 4.45Å; P796-Y850 HydrophobicContact CB-CG 4.19Å; P796-Y850 HydrophobicContact CG-CD1 4.14Å; P796-Y850 HydrophobicContact CG-CD2 3.87Å; P796-Y850 HydrophobicContact CG-CE2 4.29Å; P796-Y850 HydrophobicContact CG-CG 3.8Å |
| 797 | S | 51.7 | Low | 63.4 | Low | 84 Ų | 84 | 49.8 Ų | 49.8 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -78.7 | -39.5 | -178 | 31.5 | 0 | 0 | 0 | 0 | 113.4 | E795 | E795-S797 PolarHBondContact O-N 3.06Å; E795-S797 PolarHBondContact OE2-OG 3.37Å |
| 798 | A | 47.8 | Very low | 64.6 | Low | 31 Ų | 31 | 47.4 Ų | 47.4 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -69.6 | 132.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E795 T800 | E795-A798 HydrophobicContact CB-CB 3.78Å; A798-T800 HydrophobicContact CB-CG2 3.56Å; A798-T800 PolarHBondContact O-N 2.75Å; A798-T800 PolarHBondContact O-OG1 2.81Å |
| 799 | G | 46.9 | Very low | 66 | Low | 92 Ų | 92 | 47.4 Ų | 47.4 | 95% | 0.948 | 28% | 0.276 | S | S | * | . | trans | -70.7 | 47.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 800 | T | 50.3 | Low | 67.4 | Low | 42 Ų | 42 | 47.8 Ų | 47.8 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | trans | -87.1 | 165 | -165.5 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | A798 F802 | A798-T800 HydrophobicContact CB-CG2 3.56Å; A798-T800 PolarHBondContact O-N 2.75Å; A798-T800 PolarHBondContact O-OG1 2.81Å; T800-F802 PolarHBondContact O-N 3.48Å | ||
| 801 | K | 62.1 | Low | 69 | Low | 80 Ų | 80 | 43.5 Ų | 43.5 | 35% | 0.348 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -68.5 | 23.9 | 177 | -68 | 170.4 | -165.8 | 142.4 | 0 | 113.9 | Q650 L789 D791 | Q650-K801 HydrophobicContact CG-CB 3.99Å; Q650-K801 HydrophobicContact CG-CD 4.23Å; Q650-K801 HydrophobicContact CG-CG 3.89Å; Q650-K801 PolarHBondContact NE2-O 3.04Å; Q650-K801 PolarHBondContact OE1-O 3.01Å; L789-K801 HydrophobicContact CD1-CB 4.21Å; L789-K801 HydrophobicContact CD2-CD 4.43Å; D791-K801 IonicContact OD2-NZ 3.14Å; D791-K801 PolarHBondContact OD2-NZ 2.87Å |
| 802 | F | 72.4 | Confident | 70.1 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | trans | -105.1 | 131.1 | -171.2 | -174.8 | -107.3 | 0 | 0 | 0 | 112.1 | Y794 T800 V804 A807 V811 F812 Y816 | Y794-F802 HydrophobicContact CD1-CD1 4.39Å; Y794-F802 AromaticContact CD1-CD2 3.42Å; Y794-F802 HydrophobicContact CD1-CD2 3.42Å; Y794-F802 VanDerWaalsContact CD1-CD2 3.42Å; Y794-F802 HydrophobicContact CD1-CE1 4.45Å; Y794-F802 AromaticContact CD1-CE2 3.52Å; Y794-F802 HydrophobicContact CD1-CE2 3.52Å; Y794-F802 AromaticContact CD1-CG 3.92Å; Y794-F802 HydrophobicContact CD1-CG 3.92Å; Y794-F802 HydrophobicContact CD1-CZ 4.06Å; Y794-F802 AromaticContact CE1-CD2 3.45Å; Y794-F802 HydrophobicContact CE1-CD2 3.45Å; Y794-F802 VanDerWaalsContact CE1-CD2 3.45Å; Y794-F802 AromaticContact CE1-CE2 3.48Å; Y794-F802 HydrophobicContact CE1-CE2 3.48Å; Y794-F802 VanDerWaalsContact CE1-CE2 3.48Å; Y794-F802 HydrophobicContact CE1-CG 4.36Å; Y794-F802 HydrophobicContact CE1-CZ 4.39Å; T800-F802 PolarHBondContact O-N 3.48Å; F802-V804 VanDerWaalsContact C-N 3.26Å; F802-V804 HydrophobicContact CD1-CG2 3.94Å; F802-V804 PolarHBondContact O-N 3.11Å; F802-A807 HydrophobicContact CE1-CB 3.48Å; F802-A807 VanDerWaalsContact CE1-CB 3.48Å; F802-A807 HydrophobicContact CZ-CB 3.5Å; F802-V811 HydrophobicContact CE1-CG1 4.37Å; F802-V811 HydrophobicContact CE2-CG1 4.17Å; F802-V811 HydrophobicContact CZ-CG1 3.57Å; F802-F812 AromaticContact CD1-CE1 3.82Å; F802-F812 HydrophobicContact CD1-CE1 3.82Å; F802-F812 HydrophobicContact CD1-CZ 4.13Å; F802-F812 HydrophobicContact CE1-CD1 4.5Å; F802-F812 AromaticContact CE1-CE1 3.62Å; F802-F812 HydrophobicContact CE1-CE1 3.62Å; F802-F812 HydrophobicContact CE1-CE2 4.47Å; F802-F812 AromaticContact CE1-CZ 3.61Å; F802-F812 HydrophobicContact CE1-CZ 3.61Å; F802-Y816 HydrophobicContact CE2-CE2 4.31Å; F802-Y816 HydrophobicContact CZ-CE2 4.37Å | ||
| 803 | P | 84 | Confident | 71 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | trans | -78.1 | 63.6 | -175.5 | 34.8 | -41.7 | 0 | 0 | 0 | 113.4 | D760 R805 W806 A807 | D760-P803 WeakPolarHBondContact OD1-CG 3.43Å; P803-R805 PolarHBondContact O-N 2.86Å; P803-W806 HydrophobicContact CB-CB 4.44Å; P803-W806 HydrophobicContact CB-CE3 3.93Å; P803-W806 PolarHBondContact O-N 3.39Å; P803-A807 PolarHBondContact O-N 3.44Å | ||
| 804 | V | 87.9 | Confident | 71.7 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -42.5 | -45.7 | -175.1 | 172.4 | 0 | 0 | 0 | 0 | 113.9 | F802 W806 A807 F812 N846 | F802-V804 VanDerWaalsContact C-N 3.26Å; F802-V804 HydrophobicContact CD1-CG2 3.94Å; F802-V804 PolarHBondContact O-N 3.11Å; V804-W806 PolarHBondContact O-N 3.35Å; V804-A807 PolarHBondContact O-N 3.48Å; V804-A807 VanDerWaalsContact O-N 3.11Å; V804-F812 HydrophobicContact CB-CZ 4.28Å; V804-F812 HydrophobicContact CG1-CZ 3.97Å; V804-F812 HydrophobicContact CG2-CE1 4.09Å; V804-F812 HydrophobicContact CG2-CZ 4.08Å; V804-N846 HydrophobicContact CB-CB 4.25Å; V804-N846 HydrophobicContact CG1-CB 4.01Å; V804-N846 HydrophobicContact CG2-CB 4.21Å |
| 805 | R | 94.3 | Very high | 72.3 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -66.6 | -19 | -177.1 | -62.9 | 162.2 | -173.3 | -84.2 | -6.8 | 114.6 | P803 P840 Y841 M844 V849 | P803-R805 PolarHBondContact O-N 2.86Å; R805-P840 HydrophobicContact CB-CB 4.39Å; R805-P840 WeakPolarHBondContact CD-O 3.42Å; R805-P840 PolarHBondContact NH1-O 3.14Å; R805-Y841 HydrophobicContact CB-CD2 4.4Å; R805-Y841 PolarHBondContact NH1-O 2.81Å; R805-M844 PolarHBondContact NH2-O 3.14Å; R805-V849 HydrophobicContact CG-CG1 4.27Å; R805-V849 HydrophobicContact CG-CG2 4.44Å |
| 806 | W | 95 | Very high | 73.4 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -101.5 | -5.5 | 176.2 | -67.1 | -100.6 | 0 | 0 | 0 | 112.5 | A762 R764 P803 V804 S824 V827 E831 P840 | A762-W806 HydrophobicContact CB-CD2 4.31Å; A762-W806 HydrophobicContact CB-CG 4.2Å; R764-W806 VanDerWaalsContact NH1-CZ3 3.34Å; P803-W806 HydrophobicContact CB-CB 4.44Å; P803-W806 HydrophobicContact CB-CE3 3.93Å; P803-W806 PolarHBondContact O-N 3.39Å; V804-W806 PolarHBondContact O-N 3.35Å; W806-S824 WeakPolarHBondContact O-CA 3.3Å; W806-S824 WeakPolarHBondContact O-CB 3.37Å; W806-S824 PolarHBondContact O-OG 2.98Å; W806-V827 VanDerWaalsContact CD1-CG1 3.49Å; W806-V827 HydrophobicContact CD2-CG1 4.44Å; W806-V827 HydrophobicContact CG-CB 4.38Å; W806-V827 HydrophobicContact CG-CG1 4.01Å; W806-E831 WeakPolarHBondContact CZ2-OE1 3.41Å; W806-E831 VanDerWaalsContact NE1-CD 3.33Å; W806-E831 PolarHBondContact NE1-OE2 2.81Å; W806-P840 HydrophobicContact CZ2-CG 3.91Å |
| 807 | A | 91.8 | Very high | 74.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -94.8 | 143.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F802 P803 V804 F812 W823 | F802-A807 HydrophobicContact CE1-CB 3.48Å; F802-A807 VanDerWaalsContact CE1-CB 3.48Å; F802-A807 HydrophobicContact CZ-CB 3.5Å; P803-A807 PolarHBondContact O-N 3.44Å; V804-A807 PolarHBondContact O-N 3.48Å; V804-A807 VanDerWaalsContact O-N 3.11Å; A807-F812 HydrophobicContact CB-CE2 4.16Å; A807-F812 HydrophobicContact CB-CZ 4.18Å; A807-W823 PolarHBondContact O-NE1 2.88Å |
| 808 | P | 92.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -78.4 | 160.2 | 168.6 | 37.3 | -39.1 | 0 | 0 | 0 | 111.1 | E810 V811 A820 W823 | P808-E810 VanDerWaalsContact C-N 3.3Å; P808-E810 WeakPolarHBondContact CB-OE2 3.47Å; P808-E810 VanDerWaalsContact CG-OE1 3.3Å; P808-E810 WeakPolarHBondContact CG-OE1 3.3Å; P808-E810 PolarHBondContact O-N 3.5Å; P808-V811 HydrophobicContact CG-CG2 3.81Å; P808-V811 PolarHBondContact O-N 2.6Å; P808-A820 HydrophobicContact CG-CB 3.55Å; P808-W823 HydrophobicContact CB-CB 3.89Å; P808-W823 HydrophobicContact CB-CD2 3.52Å; P808-W823 HydrophobicContact CB-CE3 3.7Å; P808-W823 HydrophobicContact CB-CG 3.61Å; P808-W823 HydrophobicContact CB-CZ3 4.4Å; P808-W823 HydrophobicContact CG-CB 4.2Å; P808-W823 HydrophobicContact CG-CG 4.29Å | ||
| 809 | P | 88.5 | Confident | 78.7 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.7 | -28.3 | -173.5 | 24.7 | -34 | 0 | 0 | 0 | 114.2 | V811 F812 Y850 I853 V854 | P809-V811 VanDerWaalsContact C-N 3.27Å; P809-V811 PolarHBondContact O-N 2.66Å; P809-F812 PolarHBondContact O-N 2.99Å; P809-Y850 HydrophobicContact CB-CE2 4.34Å; P809-I853 HydrophobicContact CB-CG2 4.49Å; P809-I853 HydrophobicContact CG-CG2 4.22Å; P809-V854 HydrophobicContact CB-CG2 3.84Å |
| 810 | E | 86.9 | Confident | 80.8 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -74.2 | -11 | -178.4 | 79.4 | -75 | 174.2 | 0 | 0 | 114.6 | P808 F812 Q813 S814 R884 | P808-E810 VanDerWaalsContact C-N 3.3Å; P808-E810 WeakPolarHBondContact CB-OE2 3.47Å; P808-E810 VanDerWaalsContact CG-OE1 3.3Å; P808-E810 WeakPolarHBondContact CG-OE1 3.3Å; P808-E810 PolarHBondContact O-N 3.5Å; E810-F812 VanDerWaalsContact C-N 3.3Å; E810-Q813 CarbonylContact O-C 3.59Å; E810-Q813 PolarHBondContact O-N 2.63Å; E810-S814 WeakPolarHBondContact O-CB 3.37Å; E810-S814 PolarHBondContact O-N 3.03Å; E810-S814 PolarHBondContact O-OG 3.11Å; E810-R884 IonicContact OE1-CZ 3.23Å; E810-R884 IonicContact OE1-NH1 3.93Å; E810-R884 PolarHBondContact OE1-NH1 3.5Å; E810-R884 IonicContact OE1-NH2 2.81Å; E810-R884 PolarHBondContact OE1-NH2 3.47Å; E810-R884 IonicContact OE2-CZ 3.19Å; E810-R884 IonicContact OE2-NH1 2.81Å; E810-R884 IonicContact OE2-NH2 3.11Å; E810-R884 PolarHBondContact OE2-NH2 3.16Å |
| 811 | V | 83.9 | Confident | 83 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -71.4 | -28 | 175 | 170 | 0 | 0 | 0 | 0 | 111.6 | Y794 F802 P808 P809 Q813 Y816 A820 | Y794-V811 HydrophobicContact CD1-CG1 4.39Å; Y794-V811 HydrophobicContact CG-CG1 4.47Å; F802-V811 HydrophobicContact CE1-CG1 4.37Å; F802-V811 HydrophobicContact CE2-CG1 4.17Å; F802-V811 HydrophobicContact CZ-CG1 3.57Å; P808-V811 HydrophobicContact CG-CG2 3.81Å; P808-V811 PolarHBondContact O-N 2.6Å; P809-V811 VanDerWaalsContact C-N 3.27Å; P809-V811 PolarHBondContact O-N 2.66Å; V811-Q813 PolarHBondContact O-N 3.28Å; V811-Y816 HydrophobicContact CB-CD2 4.4Å; V811-Y816 HydrophobicContact CG1-CD2 3.64Å; V811-Y816 HydrophobicContact CG1-CE2 4.14Å; V811-Y816 HydrophobicContact CG2-CD2 3.76Å; V811-Y816 HydrophobicContact CG2-CE2 4.06Å; V811-Y816 HydrophobicContact CG2-CG 4.15Å; V811-A820 HydrophobicContact CG2-CB 3.74Å |
| 812 | F | 75.8 | Confident | 84.7 | Confident | 32 Ų | 32 | 29.6 Ų | 29.6 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -75.2 | -1.7 | 172.3 | -53.5 | -81.8 | 0 | 0 | 0 | 112.9 | Y794 P796 F802 V804 A807 P809 E810 Y850 | Y794-F812 WeakPolarHBondContact O-CD1 3.34Å; P796-F812 HydrophobicContact CB-CE1 4.33Å; P796-F812 HydrophobicContact CG-CD1 3.57Å; P796-F812 HydrophobicContact CG-CE1 3.82Å; P796-F812 HydrophobicContact CG-CG 4Å; P796-F812 HydrophobicContact CG-CZ 4.45Å; F802-F812 AromaticContact CD1-CE1 3.82Å; F802-F812 HydrophobicContact CD1-CE1 3.82Å; F802-F812 HydrophobicContact CD1-CZ 4.13Å; F802-F812 HydrophobicContact CE1-CD1 4.5Å; F802-F812 AromaticContact CE1-CE1 3.62Å; F802-F812 HydrophobicContact CE1-CE1 3.62Å; F802-F812 HydrophobicContact CE1-CE2 4.47Å; F802-F812 AromaticContact CE1-CZ 3.61Å; F802-F812 HydrophobicContact CE1-CZ 3.61Å; V804-F812 HydrophobicContact CB-CZ 4.28Å; V804-F812 HydrophobicContact CG1-CZ 3.97Å; V804-F812 HydrophobicContact CG2-CE1 4.09Å; V804-F812 HydrophobicContact CG2-CZ 4.08Å; A807-F812 HydrophobicContact CB-CE2 4.16Å; A807-F812 HydrophobicContact CB-CZ 4.18Å; P809-F812 PolarHBondContact O-N 2.99Å; E810-F812 VanDerWaalsContact C-N 3.3Å; F812-Y850 HydrophobicContact CB-CE2 4.14Å; F812-Y850 AromaticContact CD2-CD2 3.66Å; F812-Y850 HydrophobicContact CD2-CD2 3.66Å; F812-Y850 AromaticContact CD2-CE2 3.61Å; F812-Y850 HydrophobicContact CD2-CE2 3.61Å; F812-Y850 AromaticContact CE2-CD2 3.85Å; F812-Y850 HydrophobicContact CE2-CD2 3.85Å; F812-Y850 HydrophobicContact CE2-CE2 4.27Å; F812-Y850 HydrophobicContact CG-CD2 4.21Å; F812-Y850 HydrophobicContact CG-CE2 4.01Å |
| 813 | Q | 68.6 | Low | 85.9 | Confident | 147 Ų | 147 | 28.3 Ų | 28.3 | 69% | 0.687 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -14.9 | -177 | -57.4 | 178.9 | 3.7 | 0 | 0 | 113.1 | E810 V811 | E810-Q813 CarbonylContact O-C 3.59Å; E810-Q813 PolarHBondContact O-N 2.63Å; V811-Q813 PolarHBondContact O-N 3.28Å |
| 814 | S | 62.3 | Low | 86.6 | Confident | 47 Ų | 47 | 27.6 Ų | 27.6 | 33% | 0.329 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -158.4 | 178 | -166.6 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | E810 | E810-S814 WeakPolarHBondContact O-CB 3.37Å; E810-S814 PolarHBondContact O-N 3.03Å; E810-S814 PolarHBondContact O-OG 3.11Å |
| 815 | T | 67.5 | Low | 87.1 | Confident | 110 Ų | 110 | 27.3 Ų | 27.3 | 68% | 0.675 | 14% | 0.144 | S | C | * | . | trans | -72.1 | 134 | 179.7 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 816 | Y | 77.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | trans | -53.6 | 137.9 | 171 | -147.2 | -66.6 | 0 | 0 | 0 | 112.1 | V757 R759 F802 V811 A820 D821 S824 | V757-Y816 HydrophobicContact CG1-CD1 3.6Å; V757-Y816 HydrophobicContact CG1-CE1 4.16Å; R759-Y816 HydrophobicContact CB-CD1 4.47Å; R759-Y816 HydrophobicContact CB-CD2 4.47Å; R759-Y816 HydrophobicContact CB-CE1 4.44Å; R759-Y816 HydrophobicContact CB-CE2 4.43Å; R759-Y816 HydrophobicContact CG-CD1 4.05Å; R759-Y816 HydrophobicContact CG-CE1 4.44Å; R759-Y816 HydrophobicContact CG-CG 4.12Å; R759-Y816 WeakPolarHBondContact O-CE2 3.46Å; R759-Y816 PolarHBondContact O-OH 3.19Å; R759-Y816 VanDerWaalsContact O-OH 3.14Å; F802-Y816 HydrophobicContact CE2-CE2 4.31Å; F802-Y816 HydrophobicContact CZ-CE2 4.37Å; V811-Y816 HydrophobicContact CB-CD2 4.4Å; V811-Y816 HydrophobicContact CG1-CD2 3.64Å; V811-Y816 HydrophobicContact CG1-CE2 4.14Å; V811-Y816 HydrophobicContact CG2-CD2 3.76Å; V811-Y816 HydrophobicContact CG2-CE2 4.06Å; V811-Y816 HydrophobicContact CG2-CG 4.15Å; Y816-A820 HydrophobicContact CD1-CB 3.71Å; Y816-A820 HydrophobicContact CE1-CB 3.38Å; Y816-A820 HydrophobicContact CE2-CB 4.41Å; Y816-A820 HydrophobicContact CG-CB 4.31Å; Y816-D821 WeakPolarHBondContact CE1-OD1 3.35Å; Y816-S824 PolarHBondContact OH-OG 3.23Å; Y816-S824 VanDerWaalsContact OH-OG 3.1Å | ||
| 817 | T | 82.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 24 Ų | 24 | 28% | 0.276 | 13% | 0.131 | S | C | . | . | trans | -138.1 | 169.8 | -179.9 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | K819 A820 D821 | T817-K819 PolarHBondContact O-N 3.06Å; T817-K819 PolarHBondContact OG1-N 2.93Å; T817-A820 WeakPolarHBondContact O-CA 3.49Å; T817-A820 WeakPolarHBondContact O-CB 3.38Å; T817-A820 PolarHBondContact O-N 3.47Å; T817-D821 PolarHBondContact O-N 2.94Å | ||
| 818 | A | 87.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 17% | 0.174 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.8 | -30.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E752 A820 D821 V822 | E752-A818 HydrophobicContact CG-CB 4.31Å; A818-A820 PolarHBondContact O-N 3.08Å; A818-D821 WeakPolarHBondContact O-CB 3.36Å; A818-D821 PolarHBondContact O-N 2.93Å; A818-V822 WeakPolarHBondContact O-CG2 3.28Å; A818-V822 PolarHBondContact O-N 2.74Å |
| 819 | K | 93.7 | Very high | 88.1 | Confident | 53 Ų | 53 | 23.9 Ų | 23.9 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.9 | -12.9 | 173.9 | -63.2 | -66.1 | 176.8 | 176.9 | 0 | 114.1 | T817 R881 R884 P885 | T817-K819 PolarHBondContact O-N 3.06Å; T817-K819 PolarHBondContact OG1-N 2.93Å; K819-R881 HydrophobicContact CB-CB 4.2Å; K819-R884 HydrophobicContact CD-CB 4.3Å; K819-R884 PolarHBondContact NZ-O 3.32Å; K819-R884 VanDerWaalsContact O-CD 3.28Å; K819-R884 WeakPolarHBondContact O-CD 3.25Å; K819-R884 PolarHBondContact O-NH1 2.97Å; K819-P885 PolarHBondContact NZ-O 3.22Å |
| 820 | A | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -86.3 | -36.5 | 166 | 0 | 0 | 0 | 0 | 0 | 111.6 | P808 V811 Y816 T817 A818 V822 W823 S824 | P808-A820 HydrophobicContact CG-CB 3.55Å; V811-A820 HydrophobicContact CG2-CB 3.74Å; Y816-A820 HydrophobicContact CD1-CB 3.71Å; Y816-A820 HydrophobicContact CE1-CB 3.38Å; Y816-A820 HydrophobicContact CE2-CB 4.41Å; Y816-A820 HydrophobicContact CG-CB 4.31Å; T817-A820 WeakPolarHBondContact O-CA 3.49Å; T817-A820 WeakPolarHBondContact O-CB 3.38Å; T817-A820 PolarHBondContact O-N 3.47Å; A818-A820 PolarHBondContact O-N 3.08Å; A820-V822 PolarHBondContact O-N 3.29Å; A820-W823 WeakPolarHBondContact O-CB 3.4Å; A820-W823 PolarHBondContact O-N 3.4Å; A820-S824 PolarHBondContact O-N 2.82Å; A820-S824 PolarHBondContact O-OG 3.47Å |
| 821 | D | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | 169.5 | -62.2 | -43 | 0 | 0 | 0 | 111.5 | M748 V757 H758 R759 Y816 T817 A818 W823 S824 F825 F887 | M748-D821 HydrophobicContact CE-CB 3.69Å; V757-D821 WeakPolarHBondContact CA-OD2 3.44Å; V757-D821 VanDerWaalsContact CG1-OD2 3.26Å; V757-D821 WeakPolarHBondContact CG1-OD2 3.35Å; H758-D821 WeakPolarHBondContact CB-OD1 3.45Å; H758-D821 PolarHBondContact N-OD1 3Å; H758-D821 PolarHBondContact N-OD2 3.48Å; R759-D821 PolarHBondContact N-OD1 3.24Å; Y816-D821 WeakPolarHBondContact CE1-OD1 3.35Å; T817-D821 PolarHBondContact O-N 2.94Å; A818-D821 WeakPolarHBondContact O-CB 3.36Å; A818-D821 PolarHBondContact O-N 2.93Å; D821-W823 PolarHBondContact O-N 3.28Å; D821-S824 CarbonylContact O-C 3.37Å; D821-S824 PolarHBondContact O-N 2.98Å; D821-F825 WeakPolarHBondContact O-CB 3.47Å; D821-F825 PolarHBondContact O-N 3.34Å; D821-F887 HydrophobicContact CB-CE2 4.25Å; D821-F887 HydrophobicContact CB-CZ 4.31Å |
| 822 | V | 98.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 172.6 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | A818 A820 F825 G826 C876 R884 P885 F887 I890 | A818-V822 WeakPolarHBondContact O-CG2 3.28Å; A818-V822 PolarHBondContact O-N 2.74Å; A820-V822 PolarHBondContact O-N 3.29Å; V822-F825 PolarHBondContact O-N 3.34Å; V822-G826 PolarHBondContact O-N 2.79Å; V822-C876 HydrophobicContact CG1-CB 4.11Å; V822-C876 WeakPolarHBondContact O-CB 3.49Å; V822-R884 HydrophobicContact CG1-CB 3.98Å; V822-P885 HydrophobicContact CG1-CG 4.27Å; V822-F887 HydrophobicContact CB-CE2 4.46Å; V822-F887 HydrophobicContact CB-CZ 4.41Å; V822-F887 HydrophobicContact CG2-CD2 3.87Å; V822-F887 HydrophobicContact CG2-CE1 4.47Å; V822-F887 HydrophobicContact CG2-CE2 3.43Å; V822-F887 VanDerWaalsContact CG2-CE2 3.43Å; V822-F887 HydrophobicContact CG2-CZ 3.78Å; V822-I890 HydrophobicContact CG1-CD1 4.12Å; V822-I890 HydrophobicContact CG2-CD1 4.49Å |
| 823 | W | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 174.4 | 177.6 | -71.6 | 0 | 0 | 0 | 110.9 | A807 P808 A820 D821 F825 G826 V827 I853 W877 | A807-W823 PolarHBondContact O-NE1 2.88Å; P808-W823 HydrophobicContact CB-CB 3.89Å; P808-W823 HydrophobicContact CB-CD2 3.52Å; P808-W823 HydrophobicContact CB-CE3 3.7Å; P808-W823 HydrophobicContact CB-CG 3.61Å; P808-W823 HydrophobicContact CB-CZ3 4.4Å; P808-W823 HydrophobicContact CG-CB 4.2Å; P808-W823 HydrophobicContact CG-CG 4.29Å; A820-W823 WeakPolarHBondContact O-CB 3.4Å; A820-W823 PolarHBondContact O-N 3.4Å; D821-W823 PolarHBondContact O-N 3.28Å; W823-F825 VanDerWaalsContact C-N 3.28Å; W823-F825 PolarHBondContact O-N 2.84Å; W823-G826 WeakPolarHBondContact O-CA 3.34Å; W823-G826 PolarHBondContact O-N 3.19Å; W823-G826 VanDerWaalsContact O-N 3.07Å; W823-V827 PolarHBondContact O-N 3.26Å; W823-V827 VanDerWaalsContact O-N 3.14Å; W823-I853 HydrophobicContact CH2-CG2 3.64Å; W823-I853 HydrophobicContact CZ2-CD1 4.28Å; W823-I853 HydrophobicContact CZ2-CG1 4.4Å; W823-I853 HydrophobicContact CZ2-CG2 3.53Å; W823-W877 HydrophobicContact CD2-CB 4.44Å; W823-W877 AromaticContact CD2-CD1 3.65Å; W823-W877 HydrophobicContact CD2-CG 4.39Å; W823-W877 AromaticContact CE2-CD1 3.81Å; W823-W877 HydrophobicContact CE3-CB 4.06Å; W823-W877 HydrophobicContact CE3-CG 4.48Å; W823-W877 AromaticContact CG-CD1 3.86Å; W823-W877 HydrophobicContact CH2-CB 4.16Å; W823-W877 HydrophobicContact CZ3-CB 3.93Å; W823-W877 VanDerWaalsContact CZ3-O 3.3Å; W823-W877 WeakPolarHBondContact CZ3-O 3.3Å; W823-W877 PolarHBondContact O-NE1 2.96Å |
| 824 | S | 97.9 | Very high | 92 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | L761 W806 Y816 A820 D821 V827 L828 | L761-S824 WeakPolarHBondContact O-CB 3.34Å; W806-S824 WeakPolarHBondContact O-CA 3.3Å; W806-S824 WeakPolarHBondContact O-CB 3.37Å; W806-S824 PolarHBondContact O-OG 2.98Å; Y816-S824 PolarHBondContact OH-OG 3.23Å; Y816-S824 VanDerWaalsContact OH-OG 3.1Å; A820-S824 PolarHBondContact O-N 2.82Å; A820-S824 PolarHBondContact O-OG 3.47Å; D821-S824 CarbonylContact O-C 3.37Å; D821-S824 PolarHBondContact O-N 2.98Å; S824-V827 PolarHBondContact O-N 2.99Å; S824-L828 WeakPolarHBondContact O-CB 3.26Å; S824-L828 PolarHBondContact O-N 3.42Å |
| 825 | F | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 172 | 179.9 | -99.7 | 0 | 0 | 0 | 112.1 | C741 V744 A745 L761 D821 V822 W823 V827 L828 M829 F887 I890 I894 | C741-F825 HydrophobicContact CB-CZ 4.38Å; C741-F825 WeakPolarHBondContact O-CZ 3.49Å; V744-F825 HydrophobicContact CB-CE2 4.08Å; V744-F825 HydrophobicContact CG1-CD2 3.87Å; V744-F825 HydrophobicContact CG1-CE2 3.75Å; A745-F825 HydrophobicContact CB-CE1 4.47Å; A745-F825 HydrophobicContact CB-CE2 4.04Å; A745-F825 HydrophobicContact CB-CZ 3.78Å; L761-F825 HydrophobicContact CD2-CB 3.76Å; L761-F825 HydrophobicContact CD2-CD2 4.33Å; D821-F825 WeakPolarHBondContact O-CB 3.47Å; D821-F825 PolarHBondContact O-N 3.34Å; V822-F825 PolarHBondContact O-N 3.34Å; W823-F825 VanDerWaalsContact C-N 3.28Å; W823-F825 PolarHBondContact O-N 2.84Å; F825-V827 VanDerWaalsContact C-N 3.3Å; F825-V827 PolarHBondContact O-N 3.2Å; F825-L828 HydrophobicContact CD2-CD2 4.47Å; F825-L828 HydrophobicContact CE2-CD2 4.42Å; F825-L828 WeakPolarHBondContact O-CB 3.28Å; F825-L828 PolarHBondContact O-N 3.42Å; F825-M829 HydrophobicContact CD1-CE 3.83Å; F825-M829 HydrophobicContact CD1-CG 4.14Å; F825-M829 HydrophobicContact CD1-SD 4.2Å; F825-M829 HydrophobicContact CE1-CE 3.58Å; F825-M829 HydrophobicContact CE1-CG 3.58Å; F825-M829 HydrophobicContact CE1-SD 3.4Å; F825-M829 WeakPolarHBondContact CE1-SD 3.11Å; F825-M829 HydrophobicContact CE2-CG 4.33Å; F825-M829 HydrophobicContact CZ-CG 3.68Å; F825-M829 HydrophobicContact CZ-SD 3.89Å; F825-M829 WeakPolarHBondContact O-CG 3.31Å; F825-M829 PolarHBondContact O-N 3.1Å; F825-F887 HydrophobicContact CB-CE1 3.74Å; F825-F887 HydrophobicContact CB-CZ 3.99Å; F825-F887 HydrophobicContact CD1-CE1 4.17Å; F825-F887 HydrophobicContact CD2-CE1 4.1Å; F825-F887 AromaticContact CG-CE1 3.72Å; F825-F887 HydrophobicContact CG-CE1 3.72Å; F825-F887 HydrophobicContact CG-CZ 4.46Å; F825-I890 HydrophobicContact CD1-CD1 4.09Å; F825-I890 HydrophobicContact CD1-CG2 4.07Å; F825-I890 HydrophobicContact CE1-CD1 4.43Å; F825-I890 HydrophobicContact CE1-CG2 3.36Å; F825-I890 HydrophobicContact CZ-CG2 3.97Å; F825-I894 HydrophobicContact CE1-CD1 4.24Å; F825-I894 HydrophobicContact CZ-CD1 3.99Å |
| 826 | G | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.2 | -44.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V822 W823 M829 W830 W877 | V822-G826 PolarHBondContact O-N 2.79Å; W823-G826 WeakPolarHBondContact O-CA 3.34Å; W823-G826 PolarHBondContact O-N 3.19Å; W823-G826 VanDerWaalsContact O-N 3.07Å; G826-M829 PolarHBondContact O-N 2.83Å; G826-W830 PolarHBondContact O-N 2.98Å; G826-W877 VanDerWaalsContact O-CZ2 3.23Å; G826-W877 WeakPolarHBondContact O-CZ2 3.37Å |
| 827 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | 176.1 | -176 | 0 | 0 | 0 | 0 | 111.8 | W806 W823 S824 F825 W830 E831 P840 L859 W877 | W806-V827 VanDerWaalsContact CD1-CG1 3.49Å; W806-V827 HydrophobicContact CD2-CG1 4.44Å; W806-V827 HydrophobicContact CG-CB 4.38Å; W806-V827 HydrophobicContact CG-CG1 4.01Å; W823-V827 PolarHBondContact O-N 3.26Å; W823-V827 VanDerWaalsContact O-N 3.14Å; S824-V827 PolarHBondContact O-N 2.99Å; F825-V827 VanDerWaalsContact C-N 3.3Å; F825-V827 PolarHBondContact O-N 3.2Å; V827-W830 WeakPolarHBondContact O-CB 3.48Å; V827-W830 PolarHBondContact O-N 3.17Å; V827-E831 PolarHBondContact O-N 2.97Å; V827-P840 HydrophobicContact CG1-CB 3.83Å; V827-P840 HydrophobicContact CG1-CG 3.59Å; V827-L859 HydrophobicContact CG1-CD1 4.17Å; V827-L859 HydrophobicContact CG2-CD1 4.36Å; V827-W877 HydrophobicContact CG2-CZ2 4.22Å |
| 828 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.9 | -176.7 | 160.2 | 0 | 0 | 0 | 112 | V744 L761 S824 F825 W830 E831 V832 | V744-L828 HydrophobicContact CG1-CD1 3.87Å; V744-L828 HydrophobicContact CG1-CD2 4.11Å; V744-L828 HydrophobicContact CG2-CD2 4.48Å; L761-L828 HydrophobicContact CD1-CD1 3.72Å; L761-L828 HydrophobicContact CG-CD1 3.85Å; S824-L828 WeakPolarHBondContact O-CB 3.26Å; S824-L828 PolarHBondContact O-N 3.42Å; F825-L828 HydrophobicContact CD2-CD2 4.47Å; F825-L828 HydrophobicContact CE2-CD2 4.42Å; F825-L828 WeakPolarHBondContact O-CB 3.28Å; F825-L828 PolarHBondContact O-N 3.42Å; L828-W830 VanDerWaalsContact C-N 3.27Å; L828-W830 PolarHBondContact O-N 3.05Å; L828-E831 WeakPolarHBondContact O-CB 3.47Å; L828-E831 PolarHBondContact O-N 2.79Å; L828-V832 HydrophobicContact CD2-CG2 4.17Å; L828-V832 WeakPolarHBondContact O-CG2 3.36Å; L828-V832 PolarHBondContact O-N 2.91Å |
| 829 | M | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 172.7 | -69.6 | -167.7 | -75.2 | 0 | 0 | 110.4 | C741 F825 G826 V832 F833 I869 L872 M873 I894 | C741-M829 HydrophobicContact CB-CG 4.24Å; F825-M829 HydrophobicContact CD1-CE 3.83Å; F825-M829 HydrophobicContact CD1-CG 4.14Å; F825-M829 HydrophobicContact CD1-SD 4.2Å; F825-M829 HydrophobicContact CE1-CE 3.58Å; F825-M829 HydrophobicContact CE1-CG 3.58Å; F825-M829 HydrophobicContact CE1-SD 3.4Å; F825-M829 WeakPolarHBondContact CE1-SD 3.11Å; F825-M829 HydrophobicContact CE2-CG 4.33Å; F825-M829 HydrophobicContact CZ-CG 3.68Å; F825-M829 HydrophobicContact CZ-SD 3.89Å; F825-M829 WeakPolarHBondContact O-CG 3.31Å; F825-M829 PolarHBondContact O-N 3.1Å; G826-M829 PolarHBondContact O-N 2.83Å; M829-V832 PolarHBondContact O-N 3.25Å; M829-F833 WeakPolarHBondContact O-CD2 3.32Å; M829-F833 PolarHBondContact O-N 2.89Å; M829-I869 HydrophobicContact SD-CG2 4.42Å; M829-L872 HydrophobicContact CE-CG 4.36Å; M829-M873 HydrophobicContact CB-CE 3.76Å; M829-M873 HydrophobicContact CB-CG 4.15Å; M829-M873 HydrophobicContact CE-CB 4.43Å; M829-M873 HydrophobicContact CE-CG 3.85Å; M829-I894 HydrophobicContact SD-CD1 4.25Å |
| 830 | W | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.1 | -173.3 | 96.4 | 0 | 0 | 0 | 112.8 | G826 V827 L828 V832 F833 T834 E838 P840 L859 H860 P862 M873 W877 | G826-W830 PolarHBondContact O-N 2.98Å; V827-W830 WeakPolarHBondContact O-CB 3.48Å; V827-W830 PolarHBondContact O-N 3.17Å; L828-W830 VanDerWaalsContact C-N 3.27Å; L828-W830 PolarHBondContact O-N 3.05Å; W830-V832 VanDerWaalsContact C-N 3.31Å; W830-V832 PolarHBondContact O-N 3.19Å; W830-F833 PolarHBondContact O-N 3.42Å; W830-T834 HydrophobicContact CD2-CG2 3.91Å; W830-T834 HydrophobicContact CE3-CG2 4.09Å; W830-T834 HydrophobicContact CH2-CG2 3.9Å; W830-T834 HydrophobicContact CZ2-CG2 3.69Å; W830-T834 HydrophobicContact CZ3-CG2 4.07Å; W830-T834 WeakPolarHBondContact O-CG2 3.37Å; W830-T834 PolarHBondContact O-N 3.11Å; W830-T834 PolarHBondContact O-OG1 2.85Å; W830-E838 HydrophobicContact CH2-CG 3.77Å; W830-E838 WeakPolarHBondContact CH2-OE1 3.34Å; W830-E838 WeakPolarHBondContact CZ2-OE1 2.91Å; W830-E838 HydrophobicContact CZ3-CG 4.4Å; W830-P840 HydrophobicContact CE3-CB 4.32Å; W830-P840 HydrophobicContact CE3-CG 4.01Å; W830-P840 HydrophobicContact CZ3-CB 4.12Å; W830-P840 HydrophobicContact CZ3-CG 3.9Å; W830-L859 HydrophobicContact CB-CD1 4.01Å; W830-L859 HydrophobicContact CD2-CB 4.3Å; W830-L859 HydrophobicContact CD2-CD1 3.76Å; W830-L859 HydrophobicContact CD2-CD2 4.38Å; W830-L859 HydrophobicContact CD2-CG 4.36Å; W830-L859 HydrophobicContact CE3-CD1 4.11Å; W830-L859 HydrophobicContact CG-CB 4.1Å; W830-L859 HydrophobicContact CG-CD1 3.72Å; W830-L859 HydrophobicContact CG-CG 4.44Å; W830-L859 HydrophobicContact CH2-CD2 4.42Å; W830-L859 HydrophobicContact CZ2-CD2 4.16Å; W830-H860 VanDerWaalsContact CD1-O 3.28Å; W830-H860 AromaticContact CZ2-NE2 3.71Å; W830-H860 PolarHBondContact NE1-O 3.49Å; W830-P862 HydrophobicContact CG-CG 4.27Å; W830-M873 HydrophobicContact CB-SD 4.32Å; W830-W877 HydrophobicContact CB-CH2 4.21Å; W830-W877 HydrophobicContact CB-CZ2 4.3Å |
| 831 | E | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 2% | 0.023 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 170.6 | -75.2 | -176.4 | 105.7 | 0 | 0 | 111.5 | A763 W806 V827 L828 T834 C836 P840 | A763-E831 HydrophobicContact CB-CB 3.87Å; A763-E831 HydrophobicContact CB-CG 4.37Å; A763-E831 PolarHBondContact N-OE2 2.87Å; W806-E831 WeakPolarHBondContact CZ2-OE1 3.41Å; W806-E831 VanDerWaalsContact NE1-CD 3.33Å; W806-E831 PolarHBondContact NE1-OE2 2.81Å; V827-E831 PolarHBondContact O-N 2.97Å; L828-E831 WeakPolarHBondContact O-CB 3.47Å; L828-E831 PolarHBondContact O-N 2.79Å; E831-T834 PolarHBondContact O-OG1 3.37Å; E831-C836 WeakPolarHBondContact O-CA 3.26Å; E831-C836 PolarHBondContact O-N 2.91Å; E831-C836 PolarHBondContact O-SG 2.8Å; E831-P840 HydrophobicContact CG-CG 4.01Å |
| 832 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.7 | -47.7 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | L719 M723 M737 I740 L828 M829 W830 T834 C835 | L719-V832 HydrophobicContact CD2-CG2 4.09Å; M723-V832 HydrophobicContact CE-CG1 4Å; M723-V832 WeakPolarHBondContact CE-O 3.38Å; M723-V832 HydrophobicContact SD-CB 4.37Å; M723-V832 HydrophobicContact SD-CG1 4.1Å; M723-V832 HydrophobicContact SD-CG2 4.28Å; M737-V832 HydrophobicContact CB-CG1 3.86Å; M737-V832 HydrophobicContact CG-CG1 4.05Å; I740-V832 HydrophobicContact CG2-CG1 4.26Å; I740-V832 HydrophobicContact CG2-CG2 4.03Å; L828-V832 HydrophobicContact CD2-CG2 4.17Å; L828-V832 WeakPolarHBondContact O-CG2 3.36Å; L828-V832 PolarHBondContact O-N 2.91Å; M829-V832 PolarHBondContact O-N 3.25Å; W830-V832 VanDerWaalsContact C-N 3.31Å; W830-V832 PolarHBondContact O-N 3.19Å; V832-T834 VanDerWaalsContact C-N 3.28Å; V832-T834 PolarHBondContact O-N 3.11Å; V832-C835 PolarHBondContact O-N 2.82Å |
| 833 | F | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.1 | -9.1 | -177.9 | -80.5 | -80.3 | 0 | 0 | 0 | 114.9 | P734 M737 M829 W830 P862 V864 C865 I869 M873 | P734-F833 HydrophobicContact CB-CE1 4.26Å; M737-F833 HydrophobicContact CB-CD1 4.15Å; M737-F833 HydrophobicContact CB-CE1 3.7Å; M737-F833 HydrophobicContact CB-CE2 4.27Å; M737-F833 HydrophobicContact CB-CZ 3.77Å; M737-F833 HydrophobicContact CG-CD1 4.45Å; M737-F833 HydrophobicContact CG-CE1 4.39Å; M737-F833 HydrophobicContact SD-CD1 3.41Å; M737-F833 WeakPolarHBondContact SD-CD1 3.22Å; M737-F833 HydrophobicContact SD-CE1 3.75Å; M737-F833 HydrophobicContact SD-CG 4.1Å; M829-F833 WeakPolarHBondContact O-CD2 3.32Å; M829-F833 PolarHBondContact O-N 2.89Å; W830-F833 PolarHBondContact O-N 3.42Å; F833-P862 HydrophobicContact CB-CB 3.99Å; F833-P862 HydrophobicContact CB-CG 3.83Å; F833-P862 WeakPolarHBondContact O-CB 3.45Å; F833-V864 HydrophobicContact CD1-CG2 4.38Å; F833-V864 VanDerWaalsContact O-CG2 3.23Å; F833-V864 WeakPolarHBondContact O-CG2 3.22Å; F833-C865 HydrophobicContact CB-CB 4.09Å; F833-C865 HydrophobicContact CD1-CB 3.83Å; F833-C865 HydrophobicContact CE1-CB 4.49Å; F833-C865 HydrophobicContact CG-CB 3.98Å; F833-I869 HydrophobicContact CD2-CG2 4.31Å; F833-I869 HydrophobicContact CE2-CG2 3.57Å; F833-I869 HydrophobicContact CZ-CG2 3.95Å; F833-M873 HydrophobicContact CB-CE 4.31Å; F833-M873 HydrophobicContact CD2-CE 3.71Å; F833-M873 HydrophobicContact CE2-CE 4.47Å; F833-M873 HydrophobicContact CG-CE 4.27Å |
| 834 | T | 95.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 7.2 | 165.9 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | W830 E831 V832 C836 S837 P862 | W830-T834 HydrophobicContact CD2-CG2 3.91Å; W830-T834 HydrophobicContact CE3-CG2 4.09Å; W830-T834 HydrophobicContact CH2-CG2 3.9Å; W830-T834 HydrophobicContact CZ2-CG2 3.69Å; W830-T834 HydrophobicContact CZ3-CG2 4.07Å; W830-T834 WeakPolarHBondContact O-CG2 3.37Å; W830-T834 PolarHBondContact O-N 3.11Å; W830-T834 PolarHBondContact O-OG1 2.85Å; E831-T834 PolarHBondContact O-OG1 3.37Å; V832-T834 VanDerWaalsContact C-N 3.28Å; V832-T834 PolarHBondContact O-N 3.11Å; T834-C836 PolarHBondContact O-N 3.11Å; T834-C836 VanDerWaalsContact O-N 3.11Å; T834-S837 VanDerWaalsContact O-CB 3.29Å; T834-S837 WeakPolarHBondContact O-CB 3.43Å; T834-S837 PolarHBondContact O-N 2.98Å; T834-S837 PolarHBondContact O-OG 2.91Å; T834-P862 HydrophobicContact CG2-CB 4Å; T834-P862 HydrophobicContact CG2-CG 3.92Å |
| 835 | C | 95.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 25.6 | -167.5 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | M723 Q727 M737 V832 S837 | M723-C835 CarbonylContact C-O 3.57Å; Q727-C835 HydrophobicContact CB-CB 4.1Å; Q727-C835 HydrophobicContact CG-CB 3.85Å; M737-C835 WeakPolarHBondContact CE-SG 3.44Å; V832-C835 PolarHBondContact O-N 2.82Å; C835-S837 PolarHBondContact O-N 3.16Å; C835-S837 VanDerWaalsContact O-N 3.14Å |
| 836 | C | 94.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 16.8 | -169.6 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | R720 R724 E831 T834 E838 | R720-C836 HydrophobicContact CG-CB 3.97Å; R724-C836 HydrophobicContact CG-CB 3.81Å; R724-C836 WeakPolarHBondContact CG-O 3.28Å; R724-C836 VanDerWaalsContact CZ-O 3.3Å; R724-C836 PolarHBondContact NE-O 2.09Å; R724-C836 PolarHBondContact NH2-O 3.3Å; E831-C836 WeakPolarHBondContact O-CA 3.26Å; E831-C836 PolarHBondContact O-N 2.91Å; E831-C836 PolarHBondContact O-SG 2.8Å; T834-C836 PolarHBondContact O-N 3.11Å; T834-C836 VanDerWaalsContact O-N 3.11Å; C836-E838 PolarHBondContact O-N 3.14Å |
| 837 | S | 92.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | trans | -54.6 | -36.4 | -173.5 | 54 | 0 | 0 | 0 | 0 | 113.9 | T834 C835 | T834-S837 VanDerWaalsContact O-CB 3.29Å; T834-S837 WeakPolarHBondContact O-CB 3.43Å; T834-S837 PolarHBondContact O-N 2.98Å; T834-S837 PolarHBondContact O-OG 2.91Å; C835-S837 PolarHBondContact O-N 3.16Å; C835-S837 VanDerWaalsContact O-N 3.14Å | ||
| 838 | E | 91.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -119.3 | 179 | 174.7 | 52.6 | 174.5 | 175.2 | 0 | 0 | 111.7 | R724 W830 C836 H860 | R724-E838 PolarHBondContact NH2-O 3.28Å; W830-E838 HydrophobicContact CH2-CG 3.77Å; W830-E838 WeakPolarHBondContact CH2-OE1 3.34Å; W830-E838 WeakPolarHBondContact CZ2-OE1 2.91Å; W830-E838 HydrophobicContact CZ3-CG 4.4Å; C836-E838 PolarHBondContact O-N 3.14Å; E838-H860 IonicContact OE1-NE2 2.78Å |
| 839 | N | 92.5 | Very high | 94.4 | Very high | 70 Ų | 70 | 36.3 Ų | 36.3 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | trans | -102.8 | 144.1 | 173.2 | -53.9 | -71 | 0 | 0 | 0 | 110.1 | R724 Y841 Q842 | R724-N839 PolarHBondContact NH2-OD1 3.13Å; N839-Y841 PolarHBondContact O-N 3.28Å; N839-Q842 VanDerWaalsContact N-OE1 3.09Å; N839-Q842 PolarHBondContact ND2-OE1 3.06Å; N839-Q842 WeakPolarHBondContact O-CB 3.28Å; N839-Q842 PolarHBondContact O-N 3.16Å; N839-Q842 VanDerWaalsContact O-N 3.09Å | ||
| 840 | P | 97 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 129.3 | -180 | -27.3 | 34.2 | 0 | 0 | 0 | 112.8 | R805 W806 V827 W830 E831 L859 | R805-P840 HydrophobicContact CB-CB 4.39Å; R805-P840 WeakPolarHBondContact CD-O 3.42Å; R805-P840 PolarHBondContact NH1-O 3.14Å; W806-P840 HydrophobicContact CZ2-CG 3.91Å; V827-P840 HydrophobicContact CG1-CB 3.83Å; V827-P840 HydrophobicContact CG1-CG 3.59Å; W830-P840 HydrophobicContact CE3-CB 4.32Å; W830-P840 HydrophobicContact CE3-CG 4.01Å; W830-P840 HydrophobicContact CZ3-CB 4.12Å; W830-P840 HydrophobicContact CZ3-CG 3.9Å; E831-P840 HydrophobicContact CG-CG 4.01Å; P840-L859 HydrophobicContact CB-CD1 4.11Å; P840-L859 HydrophobicContact CB-CD2 4.12Å |
| 841 | Y | 96.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 47.4 | -174.1 | -46.1 | -87.9 | 0 | 0 | 0 | 113.5 | R805 N839 M844 V849 Y852 I853 L859 | R805-Y841 HydrophobicContact CB-CD2 4.4Å; R805-Y841 PolarHBondContact NH1-O 2.81Å; N839-Y841 PolarHBondContact O-N 3.28Å; Y841-M844 PolarHBondContact O-N 2.86Å; Y841-V849 HydrophobicContact CD2-CG1 3.69Å; Y841-V849 HydrophobicContact CD2-CG2 4.43Å; Y841-V849 HydrophobicContact CE2-CG1 4.1Å; Y841-V849 HydrophobicContact CG-CG1 3.98Å; Y841-V849 HydrophobicContact CG-CG2 4.11Å; Y841-Y852 AromaticContact CD1-CD1 3.92Å; Y841-Y852 HydrophobicContact CD1-CD1 3.92Å; Y841-Y852 HydrophobicContact CD1-CE1 4.1Å; Y841-Y852 AromaticContact CE1-CD1 3.84Å; Y841-Y852 HydrophobicContact CE1-CD1 3.84Å; Y841-Y852 AromaticContact CE1-CE1 3.94Å; Y841-Y852 HydrophobicContact CE1-CE1 3.94Å; Y841-I853 HydrophobicContact CE1-CD1 4.49Å; Y841-I853 HydrophobicContact CE1-CG1 4.2Å; Y841-I853 HydrophobicContact CE2-CD1 3.93Å; Y841-I853 HydrophobicContact CE2-CG1 4.5Å; Y841-L859 HydrophobicContact CD1-CD2 3.66Å; Y841-L859 HydrophobicContact CD1-CG 4.32Å; Y841-L859 HydrophobicContact CD2-CD2 3.73Å; Y841-L859 HydrophobicContact CD2-CG 4.35Å; Y841-L859 HydrophobicContact CE1-CD2 3.69Å; Y841-L859 HydrophobicContact CE1-CG 3.82Å; Y841-L859 HydrophobicContact CE2-CD1 4.16Å; Y841-L859 HydrophobicContact CE2-CD2 3.76Å; Y841-L859 HydrophobicContact CE2-CG 3.85Å; Y841-L859 HydrophobicContact CG-CD2 3.68Å; Y841-L859 VanDerWaalsContact N-CD2 3.35Å |
| 842 | Q | 93.2 | Very high | 93.7 | Very high | 109 Ų | 109 | 49.2 Ų | 49.2 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 146.9 | 178.2 | -164.5 | 147.5 | -84.4 | 0 | 0 | 111.8 | N839 M844 | N839-Q842 VanDerWaalsContact N-OE1 3.09Å; N839-Q842 PolarHBondContact ND2-OE1 3.06Å; N839-Q842 WeakPolarHBondContact O-CB 3.28Å; N839-Q842 PolarHBondContact O-N 3.16Å; N839-Q842 VanDerWaalsContact O-N 3.09Å; Q842-M844 VanDerWaalsContact C-N 3.25Å; Q842-M844 PolarHBondContact O-N 3.43Å |
| 843 | G | 93.7 | Very high | 93.5 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 83% | 0.825 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -24.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 844 | M | 94.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | trans | -88.1 | 148.3 | 174.8 | -59.9 | -178.7 | -174.1 | 0 | 0 | 112 | R805 Y841 Q842 Q848 V849 Y852 | R805-M844 PolarHBondContact NH2-O 3.14Å; Y841-M844 PolarHBondContact O-N 2.86Å; Q842-M844 VanDerWaalsContact C-N 3.25Å; Q842-M844 PolarHBondContact O-N 3.43Å; M844-Q848 HydrophobicContact CB-CB 4.03Å; M844-V849 HydrophobicContact CB-CG2 3.62Å; M844-V849 HydrophobicContact SD-CG2 4.35Å; M844-Y852 HydrophobicContact CE-CD1 4.26Å; M844-Y852 HydrophobicContact CE-CD2 4.16Å; M844-Y852 HydrophobicContact CE-CE1 4.49Å; M844-Y852 HydrophobicContact CE-CE2 4.41Å; M844-Y852 HydrophobicContact CE-CG 4.09Å; M844-Y852 HydrophobicContact SD-CD1 4.33Å; M844-Y852 HydrophobicContact SD-CG 4.21Å | ||
| 845 | N | 90.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | trans | -85.2 | 169.4 | 166.4 | 75.2 | 42.5 | 0 | 0 | 0 | 112.1 | T847 Q848 V849 | N845-T847 VanDerWaalsContact C-N 3.33Å; N845-T847 PolarHBondContact O-N 3.39Å; N845-T847 WeakPolarHBondContact OD1-CB 3.47Å; N845-T847 PolarHBondContact OD1-N 2.91Å; N845-Q848 VanDerWaalsContact CG-OE1 3.3Å; N845-Q848 PolarHBondContact ND2-OE1 2.99Å; N845-Q848 PolarHBondContact O-N 3.41Å; N845-Q848 VanDerWaalsContact O-N 3.15Å; N845-Q848 PolarHBondContact OD1-N 2.9Å; N845-V849 WeakPolarHBondContact O-CG2 3.48Å; N845-V849 PolarHBondContact O-N 2.83Å | ||
| 846 | N | 88.5 | Confident | 93.2 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.2 | -39.3 | -174.7 | -77.2 | 3.2 | 0 | 0 | 0 | 113.9 | V804 V849 Y850 | V804-N846 HydrophobicContact CB-CB 4.25Å; V804-N846 HydrophobicContact CG1-CB 4.01Å; V804-N846 HydrophobicContact CG2-CB 4.21Å; N846-V849 PolarHBondContact O-N 3.46Å; N846-Y850 PolarHBondContact O-N 3.18Å |
| 847 | T | 89.4 | Confident | 93.3 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.5 | -50 | 0 | 0 | 0 | 0 | 111.5 | N845 Y850 Q851 | N845-T847 VanDerWaalsContact C-N 3.33Å; N845-T847 PolarHBondContact O-N 3.39Å; N845-T847 WeakPolarHBondContact OD1-CB 3.47Å; N845-T847 PolarHBondContact OD1-N 2.91Å; T847-Y850 PolarHBondContact O-N 3Å; T847-Q851 WeakPolarHBondContact O-CB 3.41Å; T847-Q851 VanDerWaalsContact O-CG 3.3Å; T847-Q851 WeakPolarHBondContact O-CG 3.49Å; T847-Q851 PolarHBondContact O-N 3.49Å |
| 848 | Q | 94.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.5 | -71.1 | 170.2 | -38.9 | 0 | 0 | 111.8 | M844 N845 Q851 Y852 | M844-Q848 HydrophobicContact CB-CB 4.03Å; N845-Q848 VanDerWaalsContact CG-OE1 3.3Å; N845-Q848 PolarHBondContact ND2-OE1 2.99Å; N845-Q848 PolarHBondContact O-N 3.41Å; N845-Q848 VanDerWaalsContact O-N 3.15Å; N845-Q848 PolarHBondContact OD1-N 2.9Å; Q848-Q851 PolarHBondContact O-N 3.25Å; Q848-Y852 VanDerWaalsContact O-CB 3.27Å; Q848-Y852 WeakPolarHBondContact O-CB 3.47Å; Q848-Y852 PolarHBondContact O-N 3.21Å |
| 849 | V | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | R805 Y841 M844 N845 N846 Y852 I853 | R805-V849 HydrophobicContact CG-CG1 4.27Å; R805-V849 HydrophobicContact CG-CG2 4.44Å; Y841-V849 HydrophobicContact CD2-CG1 3.69Å; Y841-V849 HydrophobicContact CD2-CG2 4.43Å; Y841-V849 HydrophobicContact CE2-CG1 4.1Å; Y841-V849 HydrophobicContact CG-CG1 3.98Å; Y841-V849 HydrophobicContact CG-CG2 4.11Å; M844-V849 HydrophobicContact CB-CG2 3.62Å; M844-V849 HydrophobicContact SD-CG2 4.35Å; N845-V849 WeakPolarHBondContact O-CG2 3.48Å; N845-V849 PolarHBondContact O-N 2.83Å; N846-V849 PolarHBondContact O-N 3.46Å; V849-Y852 PolarHBondContact O-N 2.82Å; V849-I853 HydrophobicContact CG1-CD1 3.64Å; V849-I853 HydrophobicContact CG1-CG1 4.44Å; V849-I853 WeakPolarHBondContact O-CB 3.4Å; V849-I853 VanDerWaalsContact O-CG1 3.27Å; V849-I853 WeakPolarHBondContact O-CG1 3.29Å; V849-I853 PolarHBondContact O-N 3.24Å |
| 850 | Y | 90.8 | Very high | 94 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 175.3 | 174.4 | -97.5 | 0 | 0 | 0 | 111.7 | P796 P809 F812 N846 T847 Y852 I853 V854 | P796-Y850 HydrophobicContact CB-CG 4.19Å; P796-Y850 HydrophobicContact CG-CD1 4.14Å; P796-Y850 HydrophobicContact CG-CD2 3.87Å; P796-Y850 HydrophobicContact CG-CE2 4.29Å; P796-Y850 HydrophobicContact CG-CG 3.8Å; P809-Y850 HydrophobicContact CB-CE2 4.34Å; F812-Y850 HydrophobicContact CB-CE2 4.14Å; F812-Y850 AromaticContact CD2-CD2 3.66Å; F812-Y850 HydrophobicContact CD2-CD2 3.66Å; F812-Y850 AromaticContact CD2-CE2 3.61Å; F812-Y850 HydrophobicContact CD2-CE2 3.61Å; F812-Y850 AromaticContact CE2-CD2 3.85Å; F812-Y850 HydrophobicContact CE2-CD2 3.85Å; F812-Y850 HydrophobicContact CE2-CE2 4.27Å; F812-Y850 HydrophobicContact CG-CD2 4.21Å; F812-Y850 HydrophobicContact CG-CE2 4.01Å; N846-Y850 PolarHBondContact O-N 3.18Å; T847-Y850 PolarHBondContact O-N 3Å; Y850-Y852 PolarHBondContact O-N 2.87Å; Y850-I853 PolarHBondContact O-N 2.86Å; Y850-V854 HydrophobicContact CD1-CG2 4.36Å; Y850-V854 HydrophobicContact CD2-CG2 4.23Å; Y850-V854 HydrophobicContact CE1-CG2 4Å; Y850-V854 HydrophobicContact CE2-CG2 3.85Å; Y850-V854 HydrophobicContact CG-CG2 4.47Å; Y850-V854 WeakPolarHBondContact O-CB 3.4Å; Y850-V854 VanDerWaalsContact O-CG2 3.29Å; Y850-V854 WeakPolarHBondContact O-CG2 3.33Å; Y850-V854 PolarHBondContact O-N 3.11Å |
| 851 | Q | 93.4 | Very high | 94.1 | Very high | 121 Ų | 121 | 59 Ų | 59 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.3 | -44.6 | 177.5 | -73.6 | 170 | -22.8 | 0 | 0 | 112.3 | T847 Q848 V854 G855 | T847-Q851 WeakPolarHBondContact O-CB 3.41Å; T847-Q851 VanDerWaalsContact O-CG 3.3Å; T847-Q851 WeakPolarHBondContact O-CG 3.49Å; T847-Q851 PolarHBondContact O-N 3.49Å; Q848-Q851 PolarHBondContact O-N 3.25Å; Q851-V854 PolarHBondContact O-N 3.12Å; Q851-G855 PolarHBondContact O-N 2.96Å |
| 852 | Y | 96 | Very high | 94 | Very high | 102 Ų | 102 | 58.6 Ų | 58.6 | 40% | 0.4 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.5 | -177 | -109.6 | 0 | 0 | 0 | 112 | Y841 M844 Q848 V849 Y850 G855 G856 G857 R858 | Y841-Y852 AromaticContact CD1-CD1 3.92Å; Y841-Y852 HydrophobicContact CD1-CD1 3.92Å; Y841-Y852 HydrophobicContact CD1-CE1 4.1Å; Y841-Y852 AromaticContact CE1-CD1 3.84Å; Y841-Y852 HydrophobicContact CE1-CD1 3.84Å; Y841-Y852 AromaticContact CE1-CE1 3.94Å; Y841-Y852 HydrophobicContact CE1-CE1 3.94Å; M844-Y852 HydrophobicContact CE-CD1 4.26Å; M844-Y852 HydrophobicContact CE-CD2 4.16Å; M844-Y852 HydrophobicContact CE-CE1 4.49Å; M844-Y852 HydrophobicContact CE-CE2 4.41Å; M844-Y852 HydrophobicContact CE-CG 4.09Å; M844-Y852 HydrophobicContact SD-CD1 4.33Å; M844-Y852 HydrophobicContact SD-CG 4.21Å; Q848-Y852 VanDerWaalsContact O-CB 3.27Å; Q848-Y852 WeakPolarHBondContact O-CB 3.47Å; Q848-Y852 PolarHBondContact O-N 3.21Å; V849-Y852 PolarHBondContact O-N 2.82Å; Y850-Y852 PolarHBondContact O-N 2.87Å; Y852-G855 CarbonylContact O-C 3.59Å; Y852-G855 PolarHBondContact O-N 3.25Å; Y852-G856 PolarHBondContact O-N 3.31Å; Y852-G857 VanDerWaalsContact CE1-C 3.46Å; Y852-G857 WeakPolarHBondContact O-CA 3.26Å; Y852-G857 PolarHBondContact O-N 3.34Å; Y852-R858 PolarHBondContact OH-O 3.39Å |
| 853 | I | 94.7 | Very high | 94 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.2 | -73.8 | 170 | 0 | 0 | 0 | 112 | P809 W823 Y841 V849 Y850 G856 R858 | P809-I853 HydrophobicContact CB-CG2 4.49Å; P809-I853 HydrophobicContact CG-CG2 4.22Å; W823-I853 HydrophobicContact CH2-CG2 3.64Å; W823-I853 HydrophobicContact CZ2-CD1 4.28Å; W823-I853 HydrophobicContact CZ2-CG1 4.4Å; W823-I853 HydrophobicContact CZ2-CG2 3.53Å; Y841-I853 HydrophobicContact CE1-CD1 4.49Å; Y841-I853 HydrophobicContact CE1-CG1 4.2Å; Y841-I853 HydrophobicContact CE2-CD1 3.93Å; Y841-I853 HydrophobicContact CE2-CG1 4.5Å; V849-I853 HydrophobicContact CG1-CD1 3.64Å; V849-I853 HydrophobicContact CG1-CG1 4.44Å; V849-I853 WeakPolarHBondContact O-CB 3.4Å; V849-I853 VanDerWaalsContact O-CG1 3.27Å; V849-I853 WeakPolarHBondContact O-CG1 3.29Å; V849-I853 PolarHBondContact O-N 3.24Å; Y850-I853 PolarHBondContact O-N 2.86Å; I853-G856 PolarHBondContact O-N 3.4Å; I853-R858 PolarHBondContact O-NH1 3.13Å |
| 854 | V | 92.5 | Very high | 93.9 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 111 | P809 Y850 Q851 G856 | P809-V854 HydrophobicContact CB-CG2 3.84Å; Y850-V854 HydrophobicContact CD1-CG2 4.36Å; Y850-V854 HydrophobicContact CD2-CG2 4.23Å; Y850-V854 HydrophobicContact CE1-CG2 4Å; Y850-V854 HydrophobicContact CE2-CG2 3.85Å; Y850-V854 HydrophobicContact CG-CG2 4.47Å; Y850-V854 WeakPolarHBondContact O-CB 3.4Å; Y850-V854 VanDerWaalsContact O-CG2 3.29Å; Y850-V854 WeakPolarHBondContact O-CG2 3.33Å; Y850-V854 PolarHBondContact O-N 3.11Å; Q851-V854 PolarHBondContact O-N 3.12Å; V854-G856 PolarHBondContact O-N 3.36Å; V854-G856 VanDerWaalsContact O-N 3.08Å |
| 855 | G | 94 | Very high | 94 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 6.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q851 Y852 | Q851-G855 PolarHBondContact O-N 2.96Å; Y852-G855 CarbonylContact O-C 3.59Å; Y852-G855 PolarHBondContact O-N 3.25Å |
| 856 | G | 94.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 52 Ų | 52 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -6.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y852 I853 V854 R858 | Y852-G856 PolarHBondContact O-N 3.31Å; I853-G856 PolarHBondContact O-N 3.4Å; V854-G856 PolarHBondContact O-N 3.36Å; V854-G856 VanDerWaalsContact O-N 3.08Å; G856-R858 PolarHBondContact O-NH1 2.92Å |
| 857 | G | 96.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 54 Ų | 54 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | trans | -62 | 147 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y852 | Y852-G857 VanDerWaalsContact CE1-C 3.46Å; Y852-G857 WeakPolarHBondContact O-CA 3.26Å; Y852-G857 PolarHBondContact O-N 3.34Å | ||
| 858 | R | 97.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 59 Ų | 59 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -140.2 | 164.8 | -177.4 | -63.1 | -62.3 | 179.8 | -95.1 | 5.1 | 110.1 | Y852 I853 G856 L874 W877 | Y852-R858 PolarHBondContact OH-O 3.39Å; I853-R858 PolarHBondContact O-NH1 3.13Å; G856-R858 PolarHBondContact O-NH1 2.92Å; R858-L874 HydrophobicContact CG-CD2 4.48Å; R858-W877 HydrophobicContact CB-CE3 4.16Å; R858-W877 HydrophobicContact CB-CZ3 4.5Å; R858-W877 HydrophobicContact CG-CE3 4.42Å; R858-W877 PolarHBondContact NE-O 2.64Å; R858-W877 PolarHBondContact NH2-O 3.18Å | ||
| 859 | L | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.5 | 170.1 | -63.1 | 165.6 | 0 | 0 | 0 | 109.7 | V827 W830 P840 Y841 Y870 W877 | V827-L859 HydrophobicContact CG1-CD1 4.17Å; V827-L859 HydrophobicContact CG2-CD1 4.36Å; W830-L859 HydrophobicContact CB-CD1 4.01Å; W830-L859 HydrophobicContact CD2-CB 4.3Å; W830-L859 HydrophobicContact CD2-CD1 3.76Å; W830-L859 HydrophobicContact CD2-CD2 4.38Å; W830-L859 HydrophobicContact CD2-CG 4.36Å; W830-L859 HydrophobicContact CE3-CD1 4.11Å; W830-L859 HydrophobicContact CG-CB 4.1Å; W830-L859 HydrophobicContact CG-CD1 3.72Å; W830-L859 HydrophobicContact CG-CG 4.44Å; W830-L859 HydrophobicContact CH2-CD2 4.42Å; W830-L859 HydrophobicContact CZ2-CD2 4.16Å; P840-L859 HydrophobicContact CB-CD1 4.11Å; P840-L859 HydrophobicContact CB-CD2 4.12Å; Y841-L859 HydrophobicContact CD1-CD2 3.66Å; Y841-L859 HydrophobicContact CD1-CG 4.32Å; Y841-L859 HydrophobicContact CD2-CD2 3.73Å; Y841-L859 HydrophobicContact CD2-CG 4.35Å; Y841-L859 HydrophobicContact CE1-CD2 3.69Å; Y841-L859 HydrophobicContact CE1-CG 3.82Å; Y841-L859 HydrophobicContact CE2-CD1 4.16Å; Y841-L859 HydrophobicContact CE2-CD2 3.76Å; Y841-L859 HydrophobicContact CE2-CG 3.85Å; Y841-L859 HydrophobicContact CG-CD2 3.68Å; Y841-L859 VanDerWaalsContact N-CD2 3.35Å; L859-Y870 PolarHBondContact O-OH 3Å; L859-W877 HydrophobicContact CB-CH2 3.73Å; L859-W877 HydrophobicContact CB-CZ2 4.45Å; L859-W877 HydrophobicContact CB-CZ3 4.09Å; L859-W877 HydrophobicContact CD1-CH2 3.92Å; L859-W877 HydrophobicContact CD1-CZ2 3.81Å; L859-W877 HydrophobicContact CG-CH2 4.29Å |
| 860 | H | 96.7 | Very high | 95.2 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 162.2 | 176.3 | 63 | 84.6 | 0 | 0 | 0 | 111.7 | W830 E838 P862 | W830-H860 VanDerWaalsContact CD1-O 3.28Å; W830-H860 AromaticContact CZ2-NE2 3.71Å; W830-H860 PolarHBondContact NE1-O 3.49Å; E838-H860 IonicContact OE1-NE2 2.78Å; H860-P862 WeakPolarHBondContact O-CD 3.44Å |
| 861 | K | 97.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 58 Ų | 58 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 125.9 | 169.4 | -174.1 | -177.9 | 173.8 | -170.1 | 0 | 109.9 | C865 D867 Y870 | K861-C865 WeakPolarHBondContact CE-O 3.48Å; K861-C865 HydrophobicContact CG-CB 4.39Å; K861-D867 WeakPolarHBondContact CE-OD1 3.28Å; K861-D867 IonicContact NZ-OD1 2.83Å; K861-D867 PolarHBondContact NZ-OD1 2.98Å; K861-D867 IonicContact NZ-OD2 3.31Å; K861-D867 PolarHBondContact NZ-OD2 3.16Å; K861-Y870 VanDerWaalsContact CA-CE2 3.4Å; K861-Y870 HydrophobicContact CB-CD1 3.88Å; K861-Y870 HydrophobicContact CB-CD2 3.84Å; K861-Y870 HydrophobicContact CB-CE1 3.86Å; K861-Y870 HydrophobicContact CB-CE2 3.83Å; K861-Y870 HydrophobicContact CB-CG 3.86Å; K861-Y870 HydrophobicContact CD-CD1 4.23Å; K861-Y870 HydrophobicContact CD-CG 4.35Å; K861-Y870 HydrophobicContact CG-CD1 4.04Å; K861-Y870 HydrophobicContact CG-CD2 4.08Å; K861-Y870 HydrophobicContact CG-CG 3.79Å; K861-Y870 VanDerWaalsContact N-CE2 3.3Å; K861-Y870 PolarHBondContact N-OH 3Å |
| 862 | P | 95.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -68 | 141.9 | 167 | -19.6 | 33.5 | 0 | 0 | 0 | 110.3 | W830 F833 T834 H860 V864 C865 | W830-P862 HydrophobicContact CG-CG 4.27Å; F833-P862 HydrophobicContact CB-CB 3.99Å; F833-P862 HydrophobicContact CB-CG 3.83Å; F833-P862 WeakPolarHBondContact O-CB 3.45Å; T834-P862 HydrophobicContact CG2-CB 4Å; T834-P862 HydrophobicContact CG2-CG 3.92Å; H860-P862 WeakPolarHBondContact O-CD 3.44Å; P862-V864 PolarHBondContact O-N 3.02Å; P862-V864 VanDerWaalsContact O-N 3.08Å; P862-C865 HydrophobicContact CB-CB 4.09Å; P862-C865 HydrophobicContact CG-CB 4.21Å; P862-C865 VanDerWaalsContact O-CB 3.25Å; P862-C865 WeakPolarHBondContact O-CB 3.24Å; P862-C865 PolarHBondContact O-N 3.02Å |
| 863 | A | 92.6 | Very high | 95.9 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 89% | 0.893 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 864 | V | 92.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.2 | -178.2 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | C731 M737 F833 P862 | C731-V864 WeakPolarHBondContact O-CG1 3.49Å; M737-V864 HydrophobicContact CE-CG2 4.05Å; M737-V864 HydrophobicContact SD-CG2 4.03Å; F833-V864 HydrophobicContact CD1-CG2 4.38Å; F833-V864 VanDerWaalsContact O-CG2 3.23Å; F833-V864 WeakPolarHBondContact O-CG2 3.22Å; P862-V864 PolarHBondContact O-N 3.02Å; P862-V864 VanDerWaalsContact O-N 3.08Å |
| 865 | C | 95.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -83.5 | 125.3 | -176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | F833 K861 P862 M873 | F833-C865 HydrophobicContact CB-CB 4.09Å; F833-C865 HydrophobicContact CD1-CB 3.83Å; F833-C865 HydrophobicContact CE1-CB 4.49Å; F833-C865 HydrophobicContact CG-CB 3.98Å; K861-C865 WeakPolarHBondContact CE-O 3.48Å; K861-C865 HydrophobicContact CG-CB 4.39Å; P862-C865 HydrophobicContact CB-CB 4.09Å; P862-C865 HydrophobicContact CG-CB 4.21Å; P862-C865 VanDerWaalsContact O-CB 3.25Å; P862-C865 WeakPolarHBondContact O-CB 3.24Å; P862-C865 PolarHBondContact O-N 3.02Å; C865-M873 VanDerWaalsContact SG-CE 3.6Å |
| 866 | P | 95.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | trans | -62.9 | 140 | 172.8 | -19 | 30.3 | 0 | 0 | 0 | 111.7 | P734 R868 I869 Y870 Y897 | P734-P866 HydrophobicContact CB-CG 4.16Å; P866-R868 PolarHBondContact O-N 3.08Å; P866-R868 VanDerWaalsContact O-N 3.14Å; P866-I869 HydrophobicContact CB-CG1 4.19Å; P866-I869 HydrophobicContact CG-CG1 4.21Å; P866-I869 PolarHBondContact O-N 3.22Å; P866-Y870 PolarHBondContact O-N 3.01Å; P866-Y897 HydrophobicContact CB-CE2 3.85Å; P866-Y897 HydrophobicContact CG-CE1 4.35Å; P866-Y897 HydrophobicContact CG-CE2 3.83Å; P866-Y897 WeakPolarHBondContact CG-OH 3.17Å | ||
| 867 | D | 96.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.2 | -37.3 | -177.6 | -69.3 | -82.9 | 0 | 0 | 0 | 113.6 | K861 I869 Y870 V871 | K861-D867 WeakPolarHBondContact CE-OD1 3.28Å; K861-D867 IonicContact NZ-OD1 2.83Å; K861-D867 PolarHBondContact NZ-OD1 2.98Å; K861-D867 IonicContact NZ-OD2 3.31Å; K861-D867 PolarHBondContact NZ-OD2 3.16Å; D867-I869 VanDerWaalsContact C-N 3.27Å; D867-I869 PolarHBondContact O-N 2.87Å; D867-Y870 PolarHBondContact O-N 2.85Å; D867-V871 WeakPolarHBondContact O-CB 3.43Å; D867-V871 VanDerWaalsContact O-CG2 3.3Å; D867-V871 WeakPolarHBondContact O-CG2 3.26Å; D867-V871 PolarHBondContact O-N 2.62Å |
| 868 | R | 94.9 | Very high | 96.8 | Very high | 159 Ų | 159 | 46.7 Ų | 46.7 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.9 | -31.9 | 176.6 | -63.5 | -175.5 | -177.8 | 177.5 | 3 | 113.2 | P866 L872 | P866-R868 PolarHBondContact O-N 3.08Å; P866-R868 VanDerWaalsContact O-N 3.14Å; R868-L872 PolarHBondContact O-N 3.09Å |
| 869 | I | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.3 | -37.6 | 177.2 | -56 | -62.2 | 0 | 0 | 0 | 110.3 | M829 F833 P866 D867 L872 M873 I894 Y897 | M829-I869 HydrophobicContact SD-CG2 4.42Å; F833-I869 HydrophobicContact CD2-CG2 4.31Å; F833-I869 HydrophobicContact CE2-CG2 3.57Å; F833-I869 HydrophobicContact CZ-CG2 3.95Å; P866-I869 HydrophobicContact CB-CG1 4.19Å; P866-I869 HydrophobicContact CG-CG1 4.21Å; P866-I869 PolarHBondContact O-N 3.22Å; D867-I869 VanDerWaalsContact C-N 3.27Å; D867-I869 PolarHBondContact O-N 2.87Å; I869-L872 WeakPolarHBondContact O-CB 3.49Å; I869-L872 PolarHBondContact O-N 3.19Å; I869-L872 VanDerWaalsContact O-N 3.15Å; I869-M873 HydrophobicContact CG2-CE 4.34Å; I869-M873 PolarHBondContact O-N 2.91Å; I869-I894 HydrophobicContact CD1-CG1 4.49Å; I869-Y897 HydrophobicContact CD1-CD1 4.04Å; I869-Y897 HydrophobicContact CD1-CG 3.93Å; I869-Y897 HydrophobicContact CG1-CD1 4.33Å; I869-Y897 HydrophobicContact CG1-CG 4.28Å |
| 870 | Y | 98.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 172.8 | -177.3 | -114.1 | 0 | 0 | 0 | 112.7 | L859 K861 P866 D867 L872 M873 L874 W877 | L859-Y870 PolarHBondContact O-OH 3Å; K861-Y870 VanDerWaalsContact CA-CE2 3.4Å; K861-Y870 HydrophobicContact CB-CD1 3.88Å; K861-Y870 HydrophobicContact CB-CD2 3.84Å; K861-Y870 HydrophobicContact CB-CE1 3.86Å; K861-Y870 HydrophobicContact CB-CE2 3.83Å; K861-Y870 HydrophobicContact CB-CG 3.86Å; K861-Y870 HydrophobicContact CD-CD1 4.23Å; K861-Y870 HydrophobicContact CD-CG 4.35Å; K861-Y870 HydrophobicContact CG-CD1 4.04Å; K861-Y870 HydrophobicContact CG-CD2 4.08Å; K861-Y870 HydrophobicContact CG-CG 3.79Å; K861-Y870 VanDerWaalsContact N-CE2 3.3Å; K861-Y870 PolarHBondContact N-OH 3Å; P866-Y870 PolarHBondContact O-N 3.01Å; D867-Y870 PolarHBondContact O-N 2.85Å; Y870-L872 VanDerWaalsContact C-N 3.28Å; Y870-L872 PolarHBondContact O-N 3.29Å; Y870-M873 HydrophobicContact CD2-SD 3.78Å; Y870-M873 WeakPolarHBondContact O-CB 3.37Å; Y870-M873 PolarHBondContact O-N 3.29Å; Y870-M873 VanDerWaalsContact O-N 3.11Å; Y870-L874 HydrophobicContact CD1-CD1 4.14Å; Y870-L874 HydrophobicContact CE1-CD1 3.77Å; Y870-L874 HydrophobicContact CE1-CG 4.28Å; Y870-L874 WeakPolarHBondContact O-CG 3.31Å; Y870-L874 PolarHBondContact O-N 3.03Å; Y870-W877 HydrophobicContact CE2-CZ3 4.49Å |
| 871 | V | 98.2 | Very high | 96 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 170.2 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | D867 M873 L874 E875 | D867-V871 WeakPolarHBondContact O-CB 3.43Å; D867-V871 VanDerWaalsContact O-CG2 3.3Å; D867-V871 WeakPolarHBondContact O-CG2 3.26Å; D867-V871 PolarHBondContact O-N 2.62Å; V871-M873 VanDerWaalsContact C-N 3.34Å; V871-M873 PolarHBondContact O-N 2.8Å; V871-L874 CarbonylContact O-C 3.41Å; V871-L874 WeakPolarHBondContact O-CA 3.47Å; V871-L874 WeakPolarHBondContact O-CB 3.35Å; V871-L874 PolarHBondContact O-N 2.79Å; V871-L874 VanDerWaalsContact O-N 3.09Å; V871-E875 WeakPolarHBondContact O-CG 3.36Å; V871-E875 PolarHBondContact O-N 2.96Å |
| 872 | L | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 174.4 | -169.6 | 63.3 | 0 | 0 | 0 | 112.8 | M829 R868 I869 Y870 L874 E875 C876 Y889 I890 K893 I894 | M829-L872 HydrophobicContact CE-CG 4.36Å; R868-L872 PolarHBondContact O-N 3.09Å; I869-L872 WeakPolarHBondContact O-CB 3.49Å; I869-L872 PolarHBondContact O-N 3.19Å; I869-L872 VanDerWaalsContact O-N 3.15Å; Y870-L872 VanDerWaalsContact C-N 3.28Å; Y870-L872 PolarHBondContact O-N 3.29Å; L872-L874 VanDerWaalsContact C-N 3.34Å; L872-E875 HydrophobicContact CD1-CB 4.44Å; L872-E875 PolarHBondContact O-N 2.83Å; L872-C876 PolarHBondContact O-N 3.28Å; L872-C876 PolarHBondContact O-SG 3.07Å; L872-Y889 HydrophobicContact CD1-CE1 4.25Å; L872-I890 HydrophobicContact CD2-CG2 4.25Å; L872-K893 HydrophobicContact CD1-CB 4.08Å; L872-K893 HydrophobicContact CD1-CG 4.08Å; L872-K893 HydrophobicContact CD2-CB 3.8Å; L872-I894 HydrophobicContact CD2-CD1 4.19Å; L872-I894 HydrophobicContact CD2-CG1 3.63Å |
| 873 | M | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 169.2 | -60.7 | 170.3 | -174.7 | 0 | 0 | 111.4 | M829 W830 F833 C865 I869 Y870 V871 C876 W877 | M829-M873 HydrophobicContact CB-CE 3.76Å; M829-M873 HydrophobicContact CB-CG 4.15Å; M829-M873 HydrophobicContact CE-CB 4.43Å; M829-M873 HydrophobicContact CE-CG 3.85Å; W830-M873 HydrophobicContact CB-SD 4.32Å; F833-M873 HydrophobicContact CB-CE 4.31Å; F833-M873 HydrophobicContact CD2-CE 3.71Å; F833-M873 HydrophobicContact CE2-CE 4.47Å; F833-M873 HydrophobicContact CG-CE 4.27Å; C865-M873 VanDerWaalsContact SG-CE 3.6Å; I869-M873 HydrophobicContact CG2-CE 4.34Å; I869-M873 PolarHBondContact O-N 2.91Å; Y870-M873 HydrophobicContact CD2-SD 3.78Å; Y870-M873 WeakPolarHBondContact O-CB 3.37Å; Y870-M873 PolarHBondContact O-N 3.29Å; Y870-M873 VanDerWaalsContact O-N 3.11Å; V871-M873 VanDerWaalsContact C-N 3.34Å; V871-M873 PolarHBondContact O-N 2.8Å; M873-C876 CarbonylContact O-C 3.54Å; M873-C876 WeakPolarHBondContact O-CB 3.42Å; M873-C876 PolarHBondContact O-N 3.47Å; M873-W877 HydrophobicContact CB-CE3 4.19Å; M873-W877 HydrophobicContact CB-CH2 3.79Å; M873-W877 HydrophobicContact CB-CZ2 4.19Å; M873-W877 HydrophobicContact CB-CZ3 3.8Å; M873-W877 HydrophobicContact CG-CH2 4.35Å; M873-W877 VanDerWaalsContact O-CD2 3.29Å; M873-W877 PolarHBondContact O-N 3.33Å; M873-W877 HydrophobicContact SD-CH2 4.17Å |
| 874 | L | 98.4 | Very high | 96 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.5 | -31.3 | 176.4 | -62.6 | 172.2 | 0 | 0 | 0 | 113.1 | R858 Y870 V871 L872 W877 Q878 | R858-L874 HydrophobicContact CG-CD2 4.48Å; Y870-L874 HydrophobicContact CD1-CD1 4.14Å; Y870-L874 HydrophobicContact CE1-CD1 3.77Å; Y870-L874 HydrophobicContact CE1-CG 4.28Å; Y870-L874 WeakPolarHBondContact O-CG 3.31Å; Y870-L874 PolarHBondContact O-N 3.03Å; V871-L874 CarbonylContact O-C 3.41Å; V871-L874 WeakPolarHBondContact O-CA 3.47Å; V871-L874 WeakPolarHBondContact O-CB 3.35Å; V871-L874 PolarHBondContact O-N 2.79Å; V871-L874 VanDerWaalsContact O-N 3.09Å; L872-L874 VanDerWaalsContact C-N 3.34Å; L874-W877 HydrophobicContact CD2-CE3 4.19Å; L874-W877 PolarHBondContact O-N 3.48Å; L874-Q878 PolarHBondContact O-N 2.93Å; L874-Q878 PolarHBondContact O-NE2 3.34Å; L874-Q878 VanDerWaalsContact O-NE2 3.11Å |
| 875 | E | 98.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 167.8 | -68.7 | -177.2 | -129.2 | 0 | 0 | 110.6 | V871 L872 Q878 P885 Y889 K893 | V871-E875 WeakPolarHBondContact O-CG 3.36Å; V871-E875 PolarHBondContact O-N 2.96Å; L872-E875 HydrophobicContact CD1-CB 4.44Å; L872-E875 PolarHBondContact O-N 2.83Å; E875-Q878 WeakPolarHBondContact O-CG 3.13Å; E875-P885 HydrophobicContact CB-CG 4.33Å; E875-P885 WeakPolarHBondContact O-CD 3.45Å; E875-Y889 WeakPolarHBondContact OE2-CE1 3.47Å; E875-Y889 VanDerWaalsContact OE2-CZ 3.29Å; E875-Y889 PolarHBondContact OE2-OH 2.92Å; E875-K893 IonicContact OE1-NZ 3.18Å; E875-K893 PolarHBondContact OE1-NZ 2.75Å; E875-K893 IonicContact OE2-NZ 2.74Å |
| 876 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.3 | -30.2 | 174.3 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | V822 L872 M873 R884 | V822-C876 HydrophobicContact CG1-CB 4.11Å; V822-C876 WeakPolarHBondContact O-CB 3.49Å; L872-C876 PolarHBondContact O-N 3.28Å; L872-C876 PolarHBondContact O-SG 3.07Å; M873-C876 CarbonylContact O-C 3.54Å; M873-C876 WeakPolarHBondContact O-CB 3.42Å; M873-C876 PolarHBondContact O-N 3.47Å; C876-R884 WeakPolarHBondContact O-CD 3.16Å; C876-R884 WeakPolarHBondContact O-CG 3.36Å |
| 877 | W | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 24.4 | 179.9 | -54.4 | -39.3 | 0 | 0 | 0 | 115.1 | W823 G826 V827 W830 R858 L859 Y870 M873 L874 H879 | W823-W877 HydrophobicContact CD2-CB 4.44Å; W823-W877 AromaticContact CD2-CD1 3.65Å; W823-W877 HydrophobicContact CD2-CG 4.39Å; W823-W877 AromaticContact CE2-CD1 3.81Å; W823-W877 HydrophobicContact CE3-CB 4.06Å; W823-W877 HydrophobicContact CE3-CG 4.48Å; W823-W877 AromaticContact CG-CD1 3.86Å; W823-W877 HydrophobicContact CH2-CB 4.16Å; W823-W877 HydrophobicContact CZ3-CB 3.93Å; W823-W877 VanDerWaalsContact CZ3-O 3.3Å; W823-W877 WeakPolarHBondContact CZ3-O 3.3Å; W823-W877 PolarHBondContact O-NE1 2.96Å; G826-W877 VanDerWaalsContact O-CZ2 3.23Å; G826-W877 WeakPolarHBondContact O-CZ2 3.37Å; V827-W877 HydrophobicContact CG2-CZ2 4.22Å; W830-W877 HydrophobicContact CB-CH2 4.21Å; W830-W877 HydrophobicContact CB-CZ2 4.3Å; R858-W877 HydrophobicContact CB-CE3 4.16Å; R858-W877 HydrophobicContact CB-CZ3 4.5Å; R858-W877 HydrophobicContact CG-CE3 4.42Å; R858-W877 PolarHBondContact NE-O 2.64Å; R858-W877 PolarHBondContact NH2-O 3.18Å; L859-W877 HydrophobicContact CB-CH2 3.73Å; L859-W877 HydrophobicContact CB-CZ2 4.45Å; L859-W877 HydrophobicContact CB-CZ3 4.09Å; L859-W877 HydrophobicContact CD1-CH2 3.92Å; L859-W877 HydrophobicContact CD1-CZ2 3.81Å; L859-W877 HydrophobicContact CG-CH2 4.29Å; Y870-W877 HydrophobicContact CE2-CZ3 4.49Å; M873-W877 HydrophobicContact CB-CE3 4.19Å; M873-W877 HydrophobicContact CB-CH2 3.79Å; M873-W877 HydrophobicContact CB-CZ2 4.19Å; M873-W877 HydrophobicContact CB-CZ3 3.8Å; M873-W877 HydrophobicContact CG-CH2 4.35Å; M873-W877 VanDerWaalsContact O-CD2 3.29Å; M873-W877 PolarHBondContact O-N 3.33Å; M873-W877 HydrophobicContact SD-CH2 4.17Å; L874-W877 HydrophobicContact CD2-CE3 4.19Å; L874-W877 PolarHBondContact O-N 3.48Å; W877-H879 PolarHBondContact O-N 3.49Å |
| 878 | Q | 97.2 | Very high | 96 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | trans | -56.7 | 131.8 | 167.8 | -69.9 | -61.1 | -48.8 | 0 | 0 | 110.3 | L874 E875 K883 R884 | L874-Q878 PolarHBondContact O-N 2.93Å; L874-Q878 PolarHBondContact O-NE2 3.34Å; L874-Q878 VanDerWaalsContact O-NE2 3.11Å; E875-Q878 WeakPolarHBondContact O-CG 3.13Å; Q878-K883 HydrophobicContact CB-CB 4.02Å; Q878-K883 HydrophobicContact CG-CB 4.09Å; Q878-R884 HydrophobicContact CB-CG 3.95Å; Q878-R884 PolarHBondContact O-NE 3.47Å; Q878-R884 PolarHBondContact O-NH2 2.75Å | ||
| 879 | H | 92.6 | Very high | 96 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -60.7 | -50.3 | -179.1 | -177.9 | 101.2 | 0 | 0 | 0 | 110.3 | W877 R881 R884 | W877-H879 PolarHBondContact O-N 3.49Å; H879-R881 PolarHBondContact O-N 3.08Å; H879-R884 PolarHBondContact O-NH2 3.11Å |
| 880 | D | 90.8 | Very high | 96 | Very high | 64 Ų | 64 | 49.1 Ų | 49.1 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -68 | 113.7 | 170 | 177.3 | -4.1 | 0 | 0 | 0 | 111 | S882 K883 | D880-S882 PolarHBondContact O-N 3.15Å; D880-S882 VanDerWaalsContact O-N 3.16Å; D880-S882 VanDerWaalsContact OD1-CB 3.31Å; D880-S882 WeakPolarHBondContact OD1-CB 3.3Å; D880-S882 PolarHBondContact OD1-N 2.72Å; D880-S882 PolarHBondContact OD1-OG 3.09Å; D880-S882 PolarHBondContact OD2-OG 3.21Å; D880-S882 VanDerWaalsContact OD2-OG 3.08Å; D880-K883 HydrophobicContact CB-CD 4.05Å; D880-K883 HydrophobicContact CB-CG 4.18Å; D880-K883 PolarHBondContact O-N 3.11Å; D880-K883 VanDerWaalsContact O-N 3.11Å; D880-K883 WeakPolarHBondContact OD2-CE 3.24Å; D880-K883 IonicContact OD2-NZ 3.6Å |
| 881 | R | 92 | Very high | 95.7 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.7 | 179.6 | 73.9 | -178.9 | -171.6 | -172.7 | 1.3 | 114.3 | K819 H879 K883 | K819-R881 HydrophobicContact CB-CB 4.2Å; H879-R881 PolarHBondContact O-N 3.08Å; R881-K883 VanDerWaalsContact C-N 3.33Å |
| 882 | S | 91.2 | Very high | 95.4 | Very high | 90 Ų | 90 | 46.9 Ų | 46.9 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -25.8 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | D880 | D880-S882 PolarHBondContact O-N 3.15Å; D880-S882 VanDerWaalsContact O-N 3.16Å; D880-S882 VanDerWaalsContact OD1-CB 3.31Å; D880-S882 WeakPolarHBondContact OD1-CB 3.3Å; D880-S882 PolarHBondContact OD1-N 2.72Å; D880-S882 PolarHBondContact OD1-OG 3.09Å; D880-S882 PolarHBondContact OD2-OG 3.21Å; D880-S882 VanDerWaalsContact OD2-OG 3.08Å |
| 883 | K | 96.1 | Very high | 95.1 | Very high | 139 Ų | 139 | 51 Ų | 51 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -84.9 | -10.4 | 178.2 | -61.4 | 179.7 | -174.4 | 173.1 | 0 | 113.5 | Q878 D880 R881 | Q878-K883 HydrophobicContact CB-CB 4.02Å; Q878-K883 HydrophobicContact CG-CB 4.09Å; D880-K883 HydrophobicContact CB-CD 4.05Å; D880-K883 HydrophobicContact CB-CG 4.18Å; D880-K883 PolarHBondContact O-N 3.11Å; D880-K883 VanDerWaalsContact O-N 3.11Å; D880-K883 WeakPolarHBondContact OD2-CE 3.24Å; D880-K883 IonicContact OD2-NZ 3.6Å; R881-K883 VanDerWaalsContact C-N 3.33Å |
| 884 | R | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -71.9 | 137.7 | 175.1 | -60.9 | 177.6 | -160.5 | 150.5 | 11.6 | 109.7 | E810 K819 V822 C876 Q878 H879 | E810-R884 IonicContact OE1-CZ 3.23Å; E810-R884 IonicContact OE1-NH1 3.93Å; E810-R884 PolarHBondContact OE1-NH1 3.5Å; E810-R884 IonicContact OE1-NH2 2.81Å; E810-R884 PolarHBondContact OE1-NH2 3.47Å; E810-R884 IonicContact OE2-CZ 3.19Å; E810-R884 IonicContact OE2-NH1 2.81Å; E810-R884 IonicContact OE2-NH2 3.11Å; E810-R884 PolarHBondContact OE2-NH2 3.16Å; K819-R884 HydrophobicContact CD-CB 4.3Å; K819-R884 PolarHBondContact NZ-O 3.32Å; K819-R884 VanDerWaalsContact O-CD 3.28Å; K819-R884 WeakPolarHBondContact O-CD 3.25Å; K819-R884 PolarHBondContact O-NH1 2.97Å; V822-R884 HydrophobicContact CG1-CB 3.98Å; C876-R884 WeakPolarHBondContact O-CD 3.16Å; C876-R884 WeakPolarHBondContact O-CG 3.36Å; Q878-R884 HydrophobicContact CB-CG 3.95Å; Q878-R884 PolarHBondContact O-NE 3.47Å; Q878-R884 PolarHBondContact O-NH2 2.75Å; H879-R884 PolarHBondContact O-NH2 3.11Å |
| 885 | P | 97.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 167.3 | -177.7 | 24.6 | -33.7 | 0 | 0 | 0 | 113.3 | K819 V822 E875 Y889 I890 | K819-P885 PolarHBondContact NZ-O 3.22Å; V822-P885 HydrophobicContact CG1-CG 4.27Å; E875-P885 HydrophobicContact CB-CG 4.33Å; E875-P885 WeakPolarHBondContact O-CD 3.45Å; P885-Y889 HydrophobicContact CB-CD1 3.39Å; P885-Y889 HydrophobicContact CB-CE1 3.75Å; P885-Y889 HydrophobicContact CB-CG 4.29Å; P885-Y889 HydrophobicContact CG-CD1 4.37Å; P885-Y889 HydrophobicContact CG-CE1 4.47Å; P885-I890 HydrophobicContact CB-CG1 4.09Å; P885-I890 HydrophobicContact CG-CD1 4.07Å; P885-I890 HydrophobicContact CG-CG1 3.86Å |
| 886 | A | 96.1 | Very high | 94 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -90 | 157.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D888 Y889 I890 | A886-D888 VanDerWaalsContact C-N 3.29Å; A886-D888 PolarHBondContact O-N 3.19Å; A886-Y889 PolarHBondContact O-N 3.47Å; A886-Y889 VanDerWaalsContact O-N 3.11Å; A886-I890 PolarHBondContact O-N 2.88Å; A886-I890 VanDerWaalsContact O-N 3.13Å |
| 887 | F | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -31.6 | -176.4 | -80.3 | -76.3 | 0 | 0 | 0 | 113.1 | M748 A749 E752 L761 D821 V822 F825 Y889 I890 C891 | M748-F887 HydrophobicContact CB-CD1 3.46Å; M748-F887 VanDerWaalsContact CB-CD1 3.46Å; M748-F887 HydrophobicContact CB-CD2 3.96Å; M748-F887 HydrophobicContact CB-CE1 3.41Å; M748-F887 VanDerWaalsContact CB-CE1 3.41Å; M748-F887 HydrophobicContact CB-CE2 3.91Å; M748-F887 HydrophobicContact CB-CG 3.75Å; M748-F887 HydrophobicContact CB-CZ 3.64Å; M748-F887 HydrophobicContact CE-CE2 3.81Å; M748-F887 HydrophobicContact CE-CZ 3.84Å; M748-F887 HydrophobicContact CG-CD1 4.42Å; M748-F887 HydrophobicContact CG-CE1 3.91Å; M748-F887 HydrophobicContact CG-CZ 3.99Å; A749-F887 HydrophobicContact CB-CB 3.79Å; E752-F887 HydrophobicContact CB-CD2 4.26Å; E752-F887 PolarHBondContact OE2-N 2.9Å; L761-F887 HydrophobicContact CD2-CZ 4.5Å; D821-F887 HydrophobicContact CB-CE2 4.25Å; D821-F887 HydrophobicContact CB-CZ 4.31Å; V822-F887 HydrophobicContact CB-CE2 4.46Å; V822-F887 HydrophobicContact CB-CZ 4.41Å; V822-F887 HydrophobicContact CG2-CD2 3.87Å; V822-F887 HydrophobicContact CG2-CE1 4.47Å; V822-F887 HydrophobicContact CG2-CE2 3.43Å; V822-F887 VanDerWaalsContact CG2-CE2 3.43Å; V822-F887 HydrophobicContact CG2-CZ 3.78Å; F825-F887 HydrophobicContact CB-CE1 3.74Å; F825-F887 HydrophobicContact CB-CZ 3.99Å; F825-F887 HydrophobicContact CD1-CE1 4.17Å; F825-F887 HydrophobicContact CD2-CE1 4.1Å; F825-F887 AromaticContact CG-CE1 3.72Å; F825-F887 HydrophobicContact CG-CE1 3.72Å; F825-F887 HydrophobicContact CG-CZ 4.46Å; F887-Y889 VanDerWaalsContact C-N 3.32Å; F887-Y889 PolarHBondContact O-N 3.08Å; F887-I890 HydrophobicContact CD1-CD1 3.85Å; F887-I890 HydrophobicContact CE1-CD1 4.12Å; F887-I890 HydrophobicContact CG-CD1 4.42Å; F887-I890 WeakPolarHBondContact O-CB 3.22Å; F887-I890 PolarHBondContact O-N 2.58Å; F887-I890 VanDerWaalsContact O-N 3.14Å; F887-C891 PolarHBondContact O-N 3.09Å; F887-C891 PolarHBondContact O-SG 2.99Å |
| 888 | D | 91.5 | Very high | 93.2 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.4 | -44.4 | 171 | 179 | 41.1 | 0 | 0 | 0 | 112.6 | K484 A886 C891 Q892 | K484-D888 IonicContact NZ-OD1 2.89Å; K484-D888 PolarHBondContact NZ-OD1 2.86Å; K484-D888 IonicContact NZ-OD2 3.83Å; K484-D888 PolarHBondContact NZ-OD2 3.43Å; A886-D888 VanDerWaalsContact C-N 3.29Å; A886-D888 PolarHBondContact O-N 3.19Å; D888-C891 PolarHBondContact O-N 3.37Å; D888-Q892 VanDerWaalsContact O-CG 3.26Å; D888-Q892 WeakPolarHBondContact O-CG 3.15Å; D888-Q892 PolarHBondContact O-N 3.37Å; D888-Q892 VanDerWaalsContact O-N 3.09Å; D888-Q892 PolarHBondContact O-NE2 2.67Å; D888-Q892 PolarHBondContact OD1-NE2 3.43Å; D888-Q892 PolarHBondContact OD2-NE2 2.85Å |
| 889 | Y | 94.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 45 Ų | 45 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72 | -35.1 | 176.6 | 168.9 | -81.7 | 0 | 0 | 0 | 112.2 | L872 E875 P885 A886 F887 Q892 K893 | L872-Y889 HydrophobicContact CD1-CE1 4.25Å; E875-Y889 WeakPolarHBondContact OE2-CE1 3.47Å; E875-Y889 VanDerWaalsContact OE2-CZ 3.29Å; E875-Y889 PolarHBondContact OE2-OH 2.92Å; P885-Y889 HydrophobicContact CB-CD1 3.39Å; P885-Y889 HydrophobicContact CB-CE1 3.75Å; P885-Y889 HydrophobicContact CB-CG 4.29Å; P885-Y889 HydrophobicContact CG-CD1 4.37Å; P885-Y889 HydrophobicContact CG-CE1 4.47Å; A886-Y889 PolarHBondContact O-N 3.47Å; A886-Y889 VanDerWaalsContact O-N 3.11Å; F887-Y889 VanDerWaalsContact C-N 3.32Å; F887-Y889 PolarHBondContact O-N 3.08Å; Y889-Q892 PolarHBondContact O-N 2.88Å; Y889-K893 HydrophobicContact CD1-CG 4.09Å; Y889-K893 HydrophobicContact CE1-CD 4.47Å; Y889-K893 HydrophobicContact CE1-CG 3.85Å; Y889-K893 WeakPolarHBondContact O-CG 3.47Å; Y889-K893 PolarHBondContact O-N 2.86Å; Y889-K893 WeakPolarHBondContact OH-CE 3.18Å; Y889-K893 PolarHBondContact OH-NZ 2.87Å |
| 890 | I | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.3 | -66 | 173.5 | 0 | 0 | 0 | 110 | A745 V822 F825 L872 P885 A886 F887 Q892 K893 I894 | A745-I890 HydrophobicContact CB-CG2 3.84Å; V822-I890 HydrophobicContact CG1-CD1 4.12Å; V822-I890 HydrophobicContact CG2-CD1 4.49Å; F825-I890 HydrophobicContact CD1-CD1 4.09Å; F825-I890 HydrophobicContact CD1-CG2 4.07Å; F825-I890 HydrophobicContact CE1-CD1 4.43Å; F825-I890 HydrophobicContact CE1-CG2 3.36Å; F825-I890 HydrophobicContact CZ-CG2 3.97Å; L872-I890 HydrophobicContact CD2-CG2 4.25Å; P885-I890 HydrophobicContact CB-CG1 4.09Å; P885-I890 HydrophobicContact CG-CD1 4.07Å; P885-I890 HydrophobicContact CG-CG1 3.86Å; A886-I890 PolarHBondContact O-N 2.88Å; A886-I890 VanDerWaalsContact O-N 3.13Å; F887-I890 HydrophobicContact CD1-CD1 3.85Å; F887-I890 HydrophobicContact CE1-CD1 4.12Å; F887-I890 HydrophobicContact CG-CD1 4.42Å; F887-I890 WeakPolarHBondContact O-CB 3.22Å; F887-I890 PolarHBondContact O-N 2.58Å; F887-I890 VanDerWaalsContact O-N 3.14Å; I890-Q892 VanDerWaalsContact C-N 3.35Å; I890-Q892 PolarHBondContact O-N 3.26Å; I890-K893 PolarHBondContact O-N 3.3Å; I890-I894 HydrophobicContact CG2-CD1 3.78Å; I890-I894 HydrophobicContact CG2-CG1 4.45Å; I890-I894 WeakPolarHBondContact O-CG1 3.47Å; I890-I894 PolarHBondContact O-N 2.79Å |
| 891 | C | 92.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | V481 F887 D888 K893 I894 G895 | V481-C891 HydrophobicContact CG1-CB 4.48Å; F887-C891 PolarHBondContact O-N 3.09Å; F887-C891 PolarHBondContact O-SG 2.99Å; D888-C891 PolarHBondContact O-N 3.37Å; C891-K893 PolarHBondContact O-N 2.98Å; C891-I894 PolarHBondContact O-N 3.39Å; C891-G895 PolarHBondContact O-N 3.06Å |
| 892 | Q | 90.7 | Very high | 89.7 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 178.2 | -68.7 | 163.5 | 36.4 | 0 | 0 | 112.8 | V481 D888 Y889 I890 G896 | V481-Q892 WeakPolarHBondContact O-CA 3.36Å; D888-Q892 VanDerWaalsContact O-CG 3.26Å; D888-Q892 WeakPolarHBondContact O-CG 3.15Å; D888-Q892 PolarHBondContact O-N 3.37Å; D888-Q892 VanDerWaalsContact O-N 3.09Å; D888-Q892 PolarHBondContact O-NE2 2.67Å; D888-Q892 PolarHBondContact OD1-NE2 3.43Å; D888-Q892 PolarHBondContact OD2-NE2 2.85Å; Y889-Q892 PolarHBondContact O-N 2.88Å; I890-Q892 VanDerWaalsContact C-N 3.35Å; I890-Q892 PolarHBondContact O-N 3.26Å; Q892-G896 PolarHBondContact O-N 2.89Å |
| 893 | K | 93.6 | Very high | 87.9 | Confident | 88 Ų | 88 | 39 Ų | 39 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.8 | -46.7 | 177.1 | -74.3 | -81.4 | -178 | 123.8 | 0 | 112.8 | L872 E875 Y889 I890 C891 G896 Y897 | L872-K893 HydrophobicContact CD1-CB 4.08Å; L872-K893 HydrophobicContact CD1-CG 4.08Å; L872-K893 HydrophobicContact CD2-CB 3.8Å; E875-K893 IonicContact OE1-NZ 3.18Å; E875-K893 PolarHBondContact OE1-NZ 2.75Å; E875-K893 IonicContact OE2-NZ 2.74Å; Y889-K893 HydrophobicContact CD1-CG 4.09Å; Y889-K893 HydrophobicContact CE1-CD 4.47Å; Y889-K893 HydrophobicContact CE1-CG 3.85Å; Y889-K893 WeakPolarHBondContact O-CG 3.47Å; Y889-K893 PolarHBondContact O-N 2.86Å; Y889-K893 WeakPolarHBondContact OH-CE 3.18Å; Y889-K893 PolarHBondContact OH-NZ 2.87Å; I890-K893 PolarHBondContact O-N 3.3Å; C891-K893 PolarHBondContact O-N 2.98Å; K893-G896 PolarHBondContact O-N 3.38Å; K893-Y897 PolarHBondContact O-N 3.38Å; K893-Y897 VanDerWaalsContact O-N 3.11Å |
| 894 | I | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.7 | -42.9 | 179.4 | -56.1 | 170.7 | 0 | 0 | 0 | 109.8 | S738 C741 A742 A745 F825 M829 I869 L872 I890 C891 G896 Y897 L898 | S738-I894 VanDerWaalsContact O-CG2 3.3Å; S738-I894 WeakPolarHBondContact O-CG2 3.44Å; C741-I894 HydrophobicContact CB-CD1 4.02Å; A742-I894 HydrophobicContact CB-CB 4.39Å; A742-I894 HydrophobicContact CB-CG2 3.82Å; A745-I894 HydrophobicContact CB-CD1 4.46Å; F825-I894 HydrophobicContact CE1-CD1 4.24Å; F825-I894 HydrophobicContact CZ-CD1 3.99Å; M829-I894 HydrophobicContact SD-CD1 4.25Å; I869-I894 HydrophobicContact CD1-CG1 4.49Å; L872-I894 HydrophobicContact CD2-CD1 4.19Å; L872-I894 HydrophobicContact CD2-CG1 3.63Å; I890-I894 HydrophobicContact CG2-CD1 3.78Å; I890-I894 HydrophobicContact CG2-CG1 4.45Å; I890-I894 WeakPolarHBondContact O-CG1 3.47Å; I890-I894 PolarHBondContact O-N 2.79Å; C891-I894 PolarHBondContact O-N 3.39Å; I894-G896 VanDerWaalsContact C-N 3.32Å; I894-G896 PolarHBondContact O-N 3.14Å; I894-Y897 WeakPolarHBondContact O-CB 3.49Å; I894-Y897 PolarHBondContact O-N 2.69Å; I894-Y897 VanDerWaalsContact O-N 3.07Å; I894-L898 HydrophobicContact CG2-CD1 4.13Å; I894-L898 HydrophobicContact CG2-CG 4.38Å; I894-L898 WeakPolarHBondContact O-CG 3.4Å; I894-L898 PolarHBondContact O-N 3.41Å |
| 895 | G | 89.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C891 Y897 L898 D899 | C891-G895 PolarHBondContact O-N 3.06Å; G895-Y897 VanDerWaalsContact C-N 3.32Å; G895-Y897 PolarHBondContact O-N 3.39Å; G895-L898 PolarHBondContact O-N 3.04Å; G895-D899 WeakPolarHBondContact O-CB 3.44Å; G895-D899 PolarHBondContact O-N 3.26Å |
| 896 | G | 88.7 | Confident | 83.9 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -27.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q892 K893 I894 Q900 | Q892-G896 PolarHBondContact O-N 2.89Å; K893-G896 PolarHBondContact O-N 3.38Å; I894-G896 VanDerWaalsContact C-N 3.32Å; I894-G896 PolarHBondContact O-N 3.14Å; G896-Q900 VanDerWaalsContact O-CG 3.29Å; G896-Q900 WeakPolarHBondContact O-CG 3.36Å; G896-Q900 PolarHBondContact O-NE2 2.89Å |
| 897 | Y | 91.2 | Very high | 83.2 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 7% | 0.071 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.4 | -48.2 | 168.3 | 169.6 | -97.3 | 0 | 0 | 0 | 111.2 | S738 P866 I869 K893 I894 G895 D899 Q900 N901 | S738-Y897 VanDerWaalsContact OG-CE1 3.22Å; S738-Y897 WeakPolarHBondContact OG-CE1 3.44Å; P866-Y897 HydrophobicContact CB-CE2 3.85Å; P866-Y897 HydrophobicContact CG-CE1 4.35Å; P866-Y897 HydrophobicContact CG-CE2 3.83Å; P866-Y897 WeakPolarHBondContact CG-OH 3.17Å; I869-Y897 HydrophobicContact CD1-CD1 4.04Å; I869-Y897 HydrophobicContact CD1-CG 3.93Å; I869-Y897 HydrophobicContact CG1-CD1 4.33Å; I869-Y897 HydrophobicContact CG1-CG 4.28Å; K893-Y897 PolarHBondContact O-N 3.38Å; K893-Y897 VanDerWaalsContact O-N 3.11Å; I894-Y897 WeakPolarHBondContact O-CB 3.49Å; I894-Y897 PolarHBondContact O-N 2.69Å; I894-Y897 VanDerWaalsContact O-N 3.07Å; G895-Y897 VanDerWaalsContact C-N 3.32Å; G895-Y897 PolarHBondContact O-N 3.39Å; Y897-D899 PolarHBondContact O-N 3.28Å; Y897-Q900 PolarHBondContact O-N 3.35Å; Y897-Q900 VanDerWaalsContact O-N 3.1Å; Y897-N901 HydrophobicContact CD2-CB 4.4Å; Y897-N901 VanDerWaalsContact CD2-ND2 3.32Å; Y897-N901 WeakPolarHBondContact CD2-ND2 3.39Å; Y897-N901 HydrophobicContact CE1-CB 4.3Å; Y897-N901 HydrophobicContact CE2-CB 3.85Å; Y897-N901 VanDerWaalsContact CE2-CG 3.46Å; Y897-N901 WeakPolarHBondContact CE2-ND2 3.34Å; Y897-N901 WeakPolarHBondContact O-CB 3.19Å; Y897-N901 PolarHBondContact O-N 3.37Å; Y897-N901 PolarHBondContact O-ND2 2.96Å |
| 898 | L | 88.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | -179.8 | -69.8 | 173.4 | 0 | 0 | 0 | 113.2 | V735 A742 I894 G895 Q900 | V735-L898 HydrophobicContact CG1-CD2 3.73Å; V735-L898 WeakPolarHBondContact O-CD2 3.47Å; A742-L898 HydrophobicContact CB-CD1 3.89Å; I894-L898 HydrophobicContact CG2-CD1 4.13Å; I894-L898 HydrophobicContact CG2-CG 4.38Å; I894-L898 WeakPolarHBondContact O-CG 3.4Å; I894-L898 PolarHBondContact O-N 3.41Å; G895-L898 PolarHBondContact O-N 3.04Å; L898-Q900 PolarHBondContact O-N 2.75Å |
| 899 | D | 81.1 | Confident | 82 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.5 | 176.2 | -79.1 | -36.5 | 0 | 0 | 0 | 112.3 | R459 R478 S482 T550 G895 Y897 | R459-D899 WeakPolarHBondContact CD-OD1 3.5Å; R459-D899 PolarHBondContact NH1-O 2.74Å; R478-D899 IonicContact CZ-OD1 2.72Å; R478-D899 IonicContact NH1-OD1 3.41Å; R478-D899 IonicContact NH2-OD1 2.62Å; R478-D899 PolarHBondContact NH2-OD1 3.1Å; S482-D899 VanDerWaalsContact CB-OD2 3.28Å; S482-D899 WeakPolarHBondContact CB-OD2 2.99Å; S482-D899 PolarHBondContact OG-OD2 2.83Å; T550-D899 VanDerWaalsContact CG2-O 3.24Å; T550-D899 WeakPolarHBondContact CG2-O 3.34Å; G895-D899 WeakPolarHBondContact O-CB 3.44Å; G895-D899 PolarHBondContact O-N 3.26Å; Y897-D899 PolarHBondContact O-N 3.28Å |
| 900 | Q | 80.6 | Confident | 81.1 | Confident | 119 Ų | 119 | 40.7 Ų | 40.7 | 56% | 0.556 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -23.6 | 177.2 | -70.2 | 175.9 | 34.5 | 0 | 0 | 113.9 | G896 Y897 L898 | G896-Q900 VanDerWaalsContact O-CG 3.29Å; G896-Q900 WeakPolarHBondContact O-CG 3.36Å; G896-Q900 PolarHBondContact O-NE2 2.89Å; Y897-Q900 PolarHBondContact O-N 3.35Å; Y897-Q900 VanDerWaalsContact O-N 3.1Å; L898-Q900 PolarHBondContact O-N 2.75Å |
| 901 | N | 74.7 | Confident | 80 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | trans | -130 | 89.1 | -172.4 | -57.9 | -100.7 | 0 | 0 | 0 | 108.8 | V735 Y897 | V735-N901 VanDerWaalsContact CG1-O 3.29Å; V735-N901 WeakPolarHBondContact CG1-O 3.45Å; V735-N901 WeakPolarHBondContact CG2-O 3.35Å; Y897-N901 HydrophobicContact CD2-CB 4.4Å; Y897-N901 VanDerWaalsContact CD2-ND2 3.32Å; Y897-N901 WeakPolarHBondContact CD2-ND2 3.39Å; Y897-N901 HydrophobicContact CE1-CB 4.3Å; Y897-N901 HydrophobicContact CE2-CB 3.85Å; Y897-N901 VanDerWaalsContact CE2-CG 3.46Å; Y897-N901 WeakPolarHBondContact CE2-ND2 3.34Å; Y897-N901 WeakPolarHBondContact O-CB 3.19Å; Y897-N901 PolarHBondContact O-N 3.37Å; Y897-N901 PolarHBondContact O-ND2 2.96Å | ||
| 902 | C | 61 | Low | 79 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 14% | 0.142 | 24% | 0.235 | C | C | . | . | trans | -100 | 147 | 164.3 | -80.4 | 0 | 0 | 0 | 0 | 111.1 | R459 Q460 E463 T552 | R459-C902 PolarHBondContact NE-SG 3.01Å; Q460-C902 PolarHBondContact NE2-SG 2.99Å; E463-C902 PolarHBondContact OE1-SG 3.33Å; T552-C902 HydrophobicContact CG2-CB 3.77Å; T552-C902 WeakPolarHBondContact CG2-O 3.46Å | ||
| 903 | E | 54 | Low | 78 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | trans | -75.3 | 145.5 | 162.6 | -71.2 | 160.1 | -152.6 | 0 | 0 | 108.3 | R733 V735 | R733-E903 WeakPolarHBondContact CA-OE1 3.4Å; R733-E903 IonicContact CZ-OE2 3.22Å; R733-E903 VanDerWaalsContact CZ-OE2 3.31Å; R733-E903 IonicContact NE-OE2 2.69Å; R733-E903 PolarHBondContact NE-OE2 3.47Å; R733-E903 IonicContact NH2-OE2 2.74Å; R733-E903 PolarHBondContact NH2-OE2 3.04Å; V735-E903 HydrophobicContact CB-CG 4.14Å; V735-E903 VanDerWaalsContact CB-OE1 3.32Å; V735-E903 WeakPolarHBondContact CB-OE1 3.46Å; V735-E903 HydrophobicContact CG2-CG 3.82Å; V735-E903 WeakPolarHBondContact CG2-OE1 3.37Å; V735-E903 PolarHBondContact N-OE1 3.01Å | ||
| 904 | N | 39.6 | Very low | 76.6 | Confident | 141 Ų | 141 | 41 Ų | 41 | 75% | 0.754 | 22% | 0.218 | S | C | * | . | trans | -79.1 | 0 | 169.4 | -82.6 | -23.1 | 0 | 0 | 0 | 110.7 | K503 T552 | K503-N904 PolarHBondContact NZ-OD1 3.43Å; T552-N904 WeakPolarHBondContact CB-OD1 3.09Å; T552-N904 PolarHBondContact O-OD1 3.01Å; T552-N904 PolarHBondContact OG1-OD1 2.65Å |
Retrieved 904 of 904 residues in 1794.4 ms
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