| 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 | 93.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | 0 | -45.2 | 0 | 179.2 | 63.7 | 68.8 | 0 | 0 | 113.3 | E3 F4 L5 M41 Y45 L83 Q172 I173 | M1-E3 PolarHBondContact O-N 2.67Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.35Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-F4 HydrophobicContact SD-CD1 3.78Å; M1-F4 HydrophobicContact SD-CE1 4.34Å; M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 HydrophobicContact CG-CG 4.19Å; M1-L5 PolarHBondContact O-N 3.05Å; M1-L5 HydrophobicContact SD-CD1 4.41Å; M1-L5 HydrophobicContact SD-CD2 4.23Å; M1-L5 HydrophobicContact SD-CG 4.12Å; M1-M41 HydrophobicContact CE-CB 4.25Å; M1-M41 WeakPolarHBondContact CE-O 3.38Å; M1-M41 HydrophobicContact CG-CE 4.04Å; M1-M41 HydrophobicContact SD-CE 4.34Å; M1-Y45 HydrophobicContact CE-CD1 4.36Å; M1-Y45 HydrophobicContact CE-CG 3.96Å; M1-Y45 HydrophobicContact SD-CD2 4.46Å; M1-Y45 HydrophobicContact SD-CG 4.35Å; M1-L83 HydrophobicContact CB-CD1 4.5Å; M1-L83 HydrophobicContact CB-CD2 4.26Å; M1-L83 HydrophobicContact CG-CD1 4.06Å; M1-L83 HydrophobicContact CG-CD2 4.13Å; M1-Q172 VanDerWaalsContact CB-OE1 3.28Å; M1-Q172 VanDerWaalsContact N-OE1 3.16Å; M1-I173 HydrophobicContact CB-CG1 4.11Å; M1-I173 HydrophobicContact CE-CD1 4.29Å; M1-I173 HydrophobicContact CE-CG1 3.98Å | |||
| 2 | E | 93.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.2 | -46.5 | -172.6 | -168.6 | -171.8 | 134.4 | 0 | 0 | 115.5 | F4 L5 R6 L83 L87 | E2-F4 VanDerWaalsContact C-N 3.27Å; E2-F4 PolarHBondContact O-N 3.23Å; E2-L5 PolarHBondContact O-N 3.45Å; E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE1-CZ 3.11Å; E2-R6 IonicContact OE1-NH1 2.76Å; E2-R6 PolarHBondContact OE1-NH1 3.49Å; E2-R6 IonicContact OE1-NH2 2.74Å; E2-R6 PolarHBondContact OE1-NH2 2.88Å; E2-L83 HydrophobicContact CB-CD2 3.91Å; E2-L83 HydrophobicContact CG-CD2 4.46Å; E2-L87 HydrophobicContact CG-CD1 3.54Å |
| 3 | E | 93.4 | Very high | 89.7 | Confident | 160 Ų | 160 | 58.9 Ų | 58.9 | 75% | 0.748 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 179.4 | -174.4 | 179.4 | -170.7 | 0 | 0 | 112.2 | M1 R6 S7 | M1-E3 PolarHBondContact O-N 2.67Å; E3-R6 PolarHBondContact O-N 3.03Å; E3-S7 WeakPolarHBondContact O-CB 3.31Å; E3-S7 PolarHBondContact O-N 3.3Å |
| 4 | F | 95.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 175.3 | 161.8 | -113.1 | 0 | 0 | 0 | 111.1 | M1 E2 R6 S7 C8 A44 Y45 F48 P59 | M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.35Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-F4 HydrophobicContact SD-CD1 3.78Å; M1-F4 HydrophobicContact SD-CE1 4.34Å; E2-F4 VanDerWaalsContact C-N 3.27Å; E2-F4 PolarHBondContact O-N 3.23Å; F4-R6 VanDerWaalsContact C-N 3.28Å; F4-R6 PolarHBondContact O-N 3.23Å; F4-S7 WeakPolarHBondContact O-CA 3.49Å; F4-S7 VanDerWaalsContact O-CB 3.28Å; F4-S7 WeakPolarHBondContact O-CB 3.29Å; F4-S7 PolarHBondContact O-N 3.32Å; F4-C8 WeakPolarHBondContact CE2-SG 3.48Å; F4-C8 VanDerWaalsContact CZ-SG 3.6Å; F4-C8 PolarHBondContact O-N 2.84Å; F4-C8 PolarHBondContact O-SG 2.88Å; F4-A44 HydrophobicContact CE1-CB 4.19Å; F4-A44 HydrophobicContact CZ-CB 4.02Å; F4-Y45 HydrophobicContact CB-CD2 3.63Å; F4-Y45 HydrophobicContact CB-CE2 3.79Å; F4-Y45 AromaticContact CD1-CD2 3.65Å; F4-Y45 HydrophobicContact CD1-CD2 3.65Å; F4-Y45 HydrophobicContact CD1-CG 4.32Å; F4-Y45 HydrophobicContact CD2-CD2 4.32Å; F4-Y45 HydrophobicContact CE1-CD2 4.36Å; F4-Y45 AromaticContact CG-CD2 3.61Å; F4-Y45 HydrophobicContact CG-CD2 3.61Å; F4-Y45 HydrophobicContact CG-CE2 4.26Å; F4-F48 HydrophobicContact CB-CD1 4.49Å; F4-F48 HydrophobicContact CD2-CB 3.9Å; F4-F48 AromaticContact CD2-CD1 3.46Å; F4-F48 HydrophobicContact CD2-CD1 3.46Å; F4-F48 VanDerWaalsContact CD2-CD1 3.46Å; F4-F48 AromaticContact CD2-CD2 3.92Å; F4-F48 HydrophobicContact CD2-CD2 3.92Å; F4-F48 AromaticContact CD2-CE1 3.92Å; F4-F48 HydrophobicContact CD2-CE1 3.92Å; F4-F48 HydrophobicContact CD2-CE2 4.33Å; F4-F48 AromaticContact CD2-CG 3.46Å; F4-F48 HydrophobicContact CD2-CG 3.46Å; F4-F48 VanDerWaalsContact CD2-CG 3.46Å; F4-F48 HydrophobicContact CD2-CZ 4.33Å; F4-F48 HydrophobicContact CE2-CB 3.45Å; F4-F48 VanDerWaalsContact CE2-CB 3.45Å; F4-F48 AromaticContact CE2-CD1 3.96Å; F4-F48 HydrophobicContact CE2-CD1 3.96Å; F4-F48 AromaticContact CE2-CD2 3.85Å; F4-F48 HydrophobicContact CE2-CD2 3.85Å; F4-F48 AromaticContact CE2-CG 3.46Å; F4-F48 HydrophobicContact CE2-CG 3.46Å; F4-F48 VanDerWaalsContact CE2-CG 3.46Å; F4-F48 HydrophobicContact CG-CD1 4.21Å; F4-F48 HydrophobicContact CZ-CB 4.09Å; F4-P59 HydrophobicContact CE1-CG 4.11Å |
| 5 | L | 95.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 178.7 | -60.4 | 175.2 | 0 | 0 | 0 | 112.1 | M1 E2 S7 C8 R9 M41 P59 L83 L87 L88 | M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 HydrophobicContact CG-CG 4.19Å; M1-L5 PolarHBondContact O-N 3.05Å; M1-L5 HydrophobicContact SD-CD1 4.41Å; M1-L5 HydrophobicContact SD-CD2 4.23Å; M1-L5 HydrophobicContact SD-CG 4.12Å; E2-L5 PolarHBondContact O-N 3.45Å; L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.32Å; L5-C8 WeakPolarHBondContact O-CB 3.48Å; L5-C8 PolarHBondContact O-N 3.24Å; L5-R9 PolarHBondContact O-N 2.95Å; L5-M41 HydrophobicContact CD1-CE 3.98Å; L5-P59 HydrophobicContact CD2-CG 3.63Å; L5-L83 HydrophobicContact CD1-CD2 4.34Å; L5-L87 HydrophobicContact CB-CB 3.87Å; L5-L87 HydrophobicContact CD1-CB 4.35Å; L5-L88 HydrophobicContact CD1-CD2 4.19Å |
| 6 | R | 94.7 | Very high | 85.4 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174 | -173.7 | -178.2 | -72.4 | 118.5 | 0.6 | 111.7 | E2 E3 F4 R9 R10 L87 | E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE1-CZ 3.11Å; E2-R6 IonicContact OE1-NH1 2.76Å; E2-R6 PolarHBondContact OE1-NH1 3.49Å; E2-R6 IonicContact OE1-NH2 2.74Å; E2-R6 PolarHBondContact OE1-NH2 2.88Å; E3-R6 PolarHBondContact O-N 3.03Å; F4-R6 VanDerWaalsContact C-N 3.28Å; F4-R6 PolarHBondContact O-N 3.23Å; R6-R9 PolarHBondContact O-N 3.18Å; R6-R10 PolarHBondContact O-N 3Å; R6-R10 VanDerWaalsContact O-N 3.1Å; R6-L87 HydrophobicContact CB-CD2 4.26Å |
| 7 | S | 92.1 | Very high | 83.6 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | E3 F4 L5 R9 R10 T11 | E3-S7 WeakPolarHBondContact O-CB 3.31Å; E3-S7 PolarHBondContact O-N 3.3Å; F4-S7 WeakPolarHBondContact O-CA 3.49Å; F4-S7 VanDerWaalsContact O-CB 3.28Å; F4-S7 WeakPolarHBondContact O-CB 3.29Å; F4-S7 PolarHBondContact O-N 3.32Å; L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.32Å; S7-R9 VanDerWaalsContact C-N 3.35Å; S7-R9 PolarHBondContact O-N 3.12Å; S7-R10 PolarHBondContact O-N 3.16Å; S7-T11 WeakPolarHBondContact O-CB 3.27Å; S7-T11 PolarHBondContact O-N 3.31Å; S7-T11 PolarHBondContact O-OG1 2.83Å |
| 8 | C | 91.9 | Very high | 82 | Confident | 4 Ų | 4 | 79.7 Ų | 79.7 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.7 | -48.5 | 175.3 | -64 | 0 | 0 | 0 | 0 | 111.5 | F4 L5 T11 L12 V57 L58 L89 | F4-C8 WeakPolarHBondContact CE2-SG 3.48Å; F4-C8 VanDerWaalsContact CZ-SG 3.6Å; F4-C8 PolarHBondContact O-N 2.84Å; F4-C8 PolarHBondContact O-SG 2.88Å; L5-C8 WeakPolarHBondContact O-CB 3.48Å; L5-C8 PolarHBondContact O-N 3.24Å; C8-T11 PolarHBondContact O-N 3.47Å; C8-L12 WeakPolarHBondContact O-CB 3.38Å; C8-L12 PolarHBondContact O-N 3.46Å; C8-V57 PolarHBondContact SG-O 3.28Å; C8-V57 VanDerWaalsContact SG-O 3.4Å; C8-L58 HydrophobicContact CB-CD2 3.55Å; C8-L89 HydrophobicContact CB-CD1 4.38Å |
| 9 | R | 89.6 | Confident | 81.2 | Confident | 44 Ų | 44 | 81.2 Ų | 81.2 | 17% | 0.166 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 177.8 | -78.5 | -64.5 | -145.8 | -179 | -2.9 | 112.7 | L5 R6 S7 L12 Q13 H86 L87 L88 | L5-R9 PolarHBondContact O-N 2.95Å; R6-R9 PolarHBondContact O-N 3.18Å; S7-R9 VanDerWaalsContact C-N 3.35Å; S7-R9 PolarHBondContact O-N 3.12Å; R9-L12 PolarHBondContact O-N 2.8Å; R9-Q13 WeakPolarHBondContact O-CG 3.39Å; R9-Q13 PolarHBondContact O-N 2.86Å; R9-Q13 VanDerWaalsContact O-N 3.15Å; R9-H86 VanDerWaalsContact CZ-O 3.25Å; R9-H86 PolarHBondContact NE-O 3.29Å; R9-H86 PolarHBondContact NH2-O 2.85Å; R9-L87 WeakPolarHBondContact CG-O 3.4Å; R9-L88 PolarHBondContact NE-O 3.29Å; R9-L88 PolarHBondContact NH2-O 3.49Å |
| 10 | R | 86.2 | Confident | 80.7 | Confident | 133 Ų | 133 | 78 Ų | 78 | 50% | 0.502 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | -179.7 | -173 | -172.4 | -50.8 | 157.2 | 7.1 | 111.2 | R6 S7 L12 Q13 E14 | R6-R10 PolarHBondContact O-N 3Å; R6-R10 VanDerWaalsContact O-N 3.1Å; S7-R10 PolarHBondContact O-N 3.16Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 2.87Å; R10-Q13 PolarHBondContact O-N 3.17Å; R10-E14 VanDerWaalsContact CG-OE1 3.25Å; R10-E14 WeakPolarHBondContact CG-OE1 3.47Å; R10-E14 WeakPolarHBondContact O-CG 3.27Å; R10-E14 PolarHBondContact O-N 2.86Å |
| 11 | T | 81.5 | Confident | 80.9 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | -177.5 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | S7 C8 E14 N15 L56 | S7-T11 WeakPolarHBondContact O-CB 3.27Å; S7-T11 PolarHBondContact O-N 3.31Å; S7-T11 PolarHBondContact O-OG1 2.83Å; C8-T11 PolarHBondContact O-N 3.47Å; T11-E14 PolarHBondContact O-N 2.91Å; T11-N15 VanDerWaalsContact CG2-ND2 3.29Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.39Å; T11-N15 VanDerWaalsContact O-CB 3.31Å; T11-N15 WeakPolarHBondContact O-CB 3.25Å; T11-N15 PolarHBondContact O-N 2.86Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.03Å; T11-L56 HydrophobicContact CG2-CD1 3.83Å; T11-L56 HydrophobicContact CG2-CD2 3.67Å; T11-L56 HydrophobicContact CG2-CG 4.3Å |
| 12 | L | 81.9 | Confident | 80.7 | Confident | 19 Ų | 19 | 80 Ų | 80 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176 | -171.8 | 68.2 | 0 | 0 | 0 | 111.6 | C8 R9 R10 E14 N15 L16 L58 L89 L94 | C8-L12 WeakPolarHBondContact O-CB 3.38Å; C8-L12 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 2.8Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 2.87Å; L12-E14 VanDerWaalsContact C-N 3.27Å; L12-E14 PolarHBondContact O-N 3.09Å; L12-N15 PolarHBondContact O-N 3.22Å; L12-L16 HydrophobicContact CD1-CD2 4.4Å; L12-L16 HydrophobicContact CD1-CG 4.35Å; L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 HydrophobicContact CG-CG 4.37Å; L12-L16 VanDerWaalsContact O-CD1 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L58 HydrophobicContact CD1-CD1 4.42Å; L12-L89 HydrophobicContact CD2-CD1 4.27Å; L12-L89 HydrophobicContact CD2-CD2 3.48Å; L12-L89 VanDerWaalsContact CD2-CD2 3.48Å; L12-L94 HydrophobicContact CD1-CD1 3.52Å; L12-L94 HydrophobicContact CD2-CD1 4.37Å |
| 13 | Q | 77.2 | Confident | 80.7 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.6 | -35.4 | 177.8 | -72.4 | 174.6 | -14.3 | 0 | 0 | 112.9 | R9 R10 | R9-Q13 WeakPolarHBondContact O-CG 3.39Å; R9-Q13 PolarHBondContact O-N 2.86Å; R9-Q13 VanDerWaalsContact O-N 3.15Å; R10-Q13 PolarHBondContact O-N 3.17Å |
| 14 | E | 73.5 | Confident | 80.8 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -80.4 | -24.2 | -178.3 | -69.8 | 170.4 | 178.4 | 0 | 0 | 113.5 | R10 T11 L12 | R10-E14 VanDerWaalsContact CG-OE1 3.25Å; R10-E14 WeakPolarHBondContact CG-OE1 3.47Å; R10-E14 WeakPolarHBondContact O-CG 3.27Å; R10-E14 PolarHBondContact O-N 2.86Å; T11-E14 PolarHBondContact O-N 2.91Å; L12-E14 VanDerWaalsContact C-N 3.27Å; L12-E14 PolarHBondContact O-N 3.09Å |
| 15 | N | 66.6 | Low | 80.9 | Confident | 55 Ų | 55 | 70 Ų | 70 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -116.5 | 9.3 | -168.1 | -67.7 | -73.2 | 0 | 0 | 0 | 115.6 | T11 L12 D17 | T11-N15 VanDerWaalsContact CG2-ND2 3.29Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.39Å; T11-N15 VanDerWaalsContact O-CB 3.31Å; T11-N15 WeakPolarHBondContact O-CB 3.25Å; T11-N15 PolarHBondContact O-N 2.86Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.03Å; L12-N15 PolarHBondContact O-N 3.22Å; N15-D17 PolarHBondContact O-N 3.3Å |
| 16 | L | 60.3 | Low | 81 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.1 | 179.5 | -86.6 | 154.5 | 0 | 0 | 0 | 113.9 | L12 | L12-L16 HydrophobicContact CD1-CD2 4.4Å; L12-L16 HydrophobicContact CD1-CG 4.35Å; L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 HydrophobicContact CG-CG 4.37Å; L12-L16 VanDerWaalsContact O-CD1 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.34Å |
| 17 | D | 55 | Low | 81.2 | Confident | 155 Ų | 155 | 65 Ų | 65 | 83% | 0.829 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 4.2 | -167.3 | -68.9 | -30.8 | 0 | 0 | 0 | 116.5 | N15 | N15-D17 PolarHBondContact O-N 3.3Š|
| 18 | R | 54.7 | Low | 81.5 | Confident | 218 Ų | 218 | 63 Ų | 63 | 82% | 0.823 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -145.1 | 174.2 | -178.9 | -68.3 | -170.6 | 179.4 | 175.5 | 1 | 113.6 | G20 R104 | R18-G20 PolarHBondContact O-N 3.45Å; R18-R104 PolarHBondContact O-NH1 3.33Å |
| 19 | A | 66.1 | Low | 81.6 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 89% | 0.893 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -57.7 | 68.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 20 | G | 72.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | trans | -80.8 | -178.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | R18 R104 | R18-G20 PolarHBondContact O-N 3.45Å; G20-R104 VanDerWaalsContact CA-NH2 3.31Å; G20-R104 VanDerWaalsContact O-CZ 3.28Å; G20-R104 PolarHBondContact O-NE 3.05Å; G20-R104 PolarHBondContact O-NH2 3.15Å | ||
| 21 | P | 83.1 | Confident | 81.8 | Confident | 52 Ų | 52 | 60 Ų | 60 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | trans | -63.5 | 166.8 | -178.2 | 29.1 | -36.1 | 0 | 0 | 0 | 112 | L56 R104 | P21-L56 HydrophobicContact CG-CB 4.25Å; P21-R104 PolarHBondContact O-NE 3.46Å; P21-R104 PolarHBondContact O-NH2 2.99Å | ||
| 22 | D | 89.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 142.9 | 164.6 | -71.3 | -17 | 0 | 0 | 0 | 109.7 | S55 L56 | D22-S55 WeakPolarHBondContact O-CA 3.37Å; D22-L56 PolarHBondContact O-N 3.18Å |
| 23 | V | 93.1 | Very high | 83.1 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.1 | -176.8 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | V25 L56 L58 L99 R104 R106 | V23-V25 HydrophobicContact CG1-CG2 3.94Å; V23-L56 WeakPolarHBondContact CA-O 3.42Å; V23-L58 HydrophobicContact CG1-CD1 3.57Å; V23-L58 HydrophobicContact CG1-CG 4.15Å; V23-L99 HydrophobicContact CB-CD1 4.11Å; V23-L99 HydrophobicContact CG1-CD1 4.12Å; V23-L99 HydrophobicContact CG2-CD1 4.28Å; V23-L99 HydrophobicContact CG2-CD2 3.99Å; V23-R104 PolarHBondContact N-O 3.45Å; V23-R106 PolarHBondContact O-N 3.41Å |
| 24 | H | 95.8 | Very high | 84.1 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 105.2 | 174.7 | -168.2 | 168.2 | 0 | 0 | 0 | 109.1 | L56 V57 L58 R106 S108 | H24-L56 PolarHBondContact N-O 2.88Å; H24-V57 HydrophobicContact CB-CG2 4.35Å; H24-V57 CarbonylContact O-C 3.53Å; H24-V57 VanDerWaalsContact O-CA 3.26Å; H24-V57 WeakPolarHBondContact O-CA 2.93Å; H24-L58 PolarHBondContact O-N 2.89Å; H24-R106 CarbonylContact C-O 3.55Å; H24-R106 WeakPolarHBondContact CA-O 3.27Å; H24-R106 HydrophobicContact CB-CB 4.32Å; H24-S108 PolarHBondContact CE1-OG 3.01Å; H24-S108 PolarHBondContact NE2-OG 3.33Å |
| 25 | V | 97.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.7 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | V23 L27 L58 L60 L94 L96 L105 R106 L107 S108 | V23-V25 HydrophobicContact CG1-CG2 3.94Å; V25-L27 HydrophobicContact CG1-CB 4.44Å; V25-L58 CarbonylContact C-O 3.55Å; V25-L58 WeakPolarHBondContact CA-O 3.39Å; V25-L58 HydrophobicContact CG2-CB 4.49Å; V25-L60 HydrophobicContact CG1-CB 3.48Å; V25-L60 VanDerWaalsContact CG1-CB 3.48Å; V25-L60 HydrophobicContact CG1-CD2 3.98Å; V25-L60 HydrophobicContact CG1-CG 4.37Å; V25-L94 HydrophobicContact CG2-CD2 3.81Å; V25-L96 HydrophobicContact CG1-CD2 4.48Å; V25-L96 HydrophobicContact CG2-CD2 3.93Å; V25-L105 HydrophobicContact CB-CD1 4.45Å; V25-L105 HydrophobicContact CG2-CD1 3.95Å; V25-R106 PolarHBondContact N-O 2.68Å; V25-L107 HydrophobicContact CB-CD2 3.77Å; V25-L107 HydrophobicContact CG1-CD2 4.25Å; V25-L107 CarbonylContact O-C 3.58Å; V25-L107 WeakPolarHBondContact O-CA 3.44Å; V25-S108 PolarHBondContact O-N 2.93Å |
| 26 | V | 98.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.1 | 165.3 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | A40 F43 A44 L47 V57 L58 L60 S108 V110 | V26-A40 HydrophobicContact CG1-CB 4.15Å; V26-F43 HydrophobicContact CG1-CB 4.21Å; V26-F43 HydrophobicContact CG1-CD1 3.86Å; V26-F43 HydrophobicContact CG2-CD1 4.11Å; V26-A44 HydrophobicContact CB-CB 4.04Å; V26-A44 HydrophobicContact CG2-CB 3.67Å; V26-L47 HydrophobicContact CG2-CD1 3.84Å; V26-V57 HydrophobicContact CG2-CG1 4.38Å; V26-L58 PolarHBondContact N-O 3.39Å; V26-L60 PolarHBondContact O-N 3.34Å; V26-S108 WeakPolarHBondContact CA-O 3.49Å; V26-V110 HydrophobicContact CG1-CG1 3.81Å; V26-V110 HydrophobicContact CG1-CG2 4.05Å |
| 27 | L | 98.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.4 | -170 | -171 | 63.3 | 0 | 0 | 0 | 109.8 | V25 L60 N62 L96 S108 L109 V110 H112 L115 | V25-L27 HydrophobicContact CG1-CB 4.44Å; L27-L60 HydrophobicContact CD1-CB 4.12Å; L27-L60 HydrophobicContact CD1-CD2 4.03Å; L27-L60 HydrophobicContact CD1-CG 4.21Å; L27-N62 HydrophobicContact CD1-CB 3.66Å; L27-N62 HydrophobicContact CG-CB 4.38Å; L27-L96 HydrophobicContact CD2-CD1 4.47Å; L27-S108 PolarHBondContact N-O 3.47Å; L27-L109 HydrophobicContact CB-CD2 4.41Å; L27-V110 PolarHBondContact O-N 3.1Å; L27-H112 PolarHBondContact O-CE1 2.78Å; L27-H112 VanDerWaalsContact O-CE1 3.22Å; L27-L115 HydrophobicContact CD2-CD2 4.24Å |
| 28 | G | 97.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -83.3 | 177.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N62 V110 H112 | G28-N62 WeakPolarHBondContact O-CB 3.17Å; G28-N62 PolarHBondContact O-ND2 3.46Å; G28-V110 WeakPolarHBondContact CA-O 3.39Å; G28-H112 PolarHBondContact O-CE1 2.97Å; G28-H112 VanDerWaalsContact O-CE1 3.27Å | ||
| 29 | N | 94.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 21 Ų | 21 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | trans | -68.5 | 166.7 | 176.6 | 70 | 40.4 | 0 | 0 | 0 | 112.1 | A31 C32 S36 N62 D111 H112 | N29-A31 PolarHBondContact O-N 3.49Å; N29-A31 WeakPolarHBondContact OD1-CA 3.04Å; N29-A31 VanDerWaalsContact OD1-CB 3.27Å; N29-A31 WeakPolarHBondContact OD1-CB 3.47Å; N29-A31 PolarHBondContact OD1-N 2.85Å; N29-C32 PolarHBondContact O-N 3.5Å; N29-C32 VanDerWaalsContact O-N 3.1Å; N29-C32 PolarHBondContact OD1-N 2.75Å; N29-S36 PolarHBondContact N-OG 3.36Å; N29-S36 PolarHBondContact ND2-OG 2.91Å; N29-S36 VanDerWaalsContact ND2-OG 3.08Å; N29-S36 PolarHBondContact OD1-OG 3.15Å; N29-N62 WeakPolarHBondContact O-CB 3.33Å; N29-D111 PolarHBondContact ND2-O 3.13Å; N29-D111 VanDerWaalsContact ND2-O 3.17Å; N29-D111 PolarHBondContact ND2-OD2 2.92Å; N29-H112 HydrophobicContact CB-CB 4.01Å; N29-H112 PolarHBondContact N-ND1 2.82Å | ||
| 30 | E | 92.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 15.9 Ų | 15.9 | 37% | 0.369 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.6 | -177.8 | 65.4 | -87.5 | -161 | 0 | 0 | 114.3 | T386 | E30-T386 HydrophobicContact CB-CG2 3.95Å; E30-T386 HydrophobicContact CG-CG2 3.58Å; E30-T386 WeakPolarHBondContact O-CB 3.33Å; E30-T386 PolarHBondContact O-OG1 2.77Å |
| 31 | A | 89 | Confident | 95.5 | Very high | 18 Ų | 18 | 15 Ų | 15 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -34.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N29 D33 R71 T386 | N29-A31 PolarHBondContact O-N 3.49Å; N29-A31 WeakPolarHBondContact OD1-CA 3.04Å; N29-A31 VanDerWaalsContact OD1-CB 3.27Å; N29-A31 WeakPolarHBondContact OD1-CB 3.47Å; N29-A31 PolarHBondContact OD1-N 2.85Å; A31-D33 VanDerWaalsContact C-N 3.26Å; A31-D33 PolarHBondContact O-N 2.61Å; A31-R71 PolarHBondContact O-NE 2.78Å; A31-R71 PolarHBondContact O-NH2 3.43Å; A31-T386 VanDerWaalsContact CA-O 3.26Å; A31-T386 WeakPolarHBondContact CA-O 3.46Å; A31-T386 WeakPolarHBondContact CB-O 3.28Å |
| 32 | C | 95.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.02 | 7% | 0.068 | C | C | . | . | trans | 47 | 54.9 | -179.6 | -168.8 | 0 | 0 | 0 | 0 | 110 | N29 I63 R71 I74 | N29-C32 PolarHBondContact O-N 3.5Å; N29-C32 VanDerWaalsContact O-N 3.1Å; N29-C32 PolarHBondContact OD1-N 2.75Å; C32-I63 HydrophobicContact CB-CB 4.43Å; C32-I63 HydrophobicContact CB-CD1 4.23Å; C32-I63 HydrophobicContact CB-CG1 4.25Å; C32-I63 HydrophobicContact CB-CG2 3.42Å; C32-I63 VanDerWaalsContact CB-CG2 3.42Å; C32-R71 VanDerWaalsContact O-CD 3.29Å; C32-R71 WeakPolarHBondContact O-CD 3.37Å; C32-R71 PolarHBondContact O-NE 2.93Å; C32-R71 VanDerWaalsContact O-NE 3.14Å; C32-I74 WeakPolarHBondContact O-CD1 3.34Å | ||
| 33 | D | 95.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 8.9 Ų | 8.9 | 21% | 0.214 | 5% | 0.049 | C | C | . | . | trans | -74.6 | -173.4 | 169.4 | 63.2 | 5.5 | 0 | 0 | 0 | 110.6 | A31 D35 S36 M37 | A31-D33 VanDerWaalsContact C-N 3.26Å; A31-D33 PolarHBondContact O-N 2.61Å; D33-D35 PolarHBondContact O-N 3.32Å; D33-D35 PolarHBondContact OD1-N 2.82Å; D33-S36 WeakPolarHBondContact OD1-CB 3.42Å; D33-S36 PolarHBondContact OD1-N 3.38Å; D33-M37 WeakPolarHBondContact O-CB 3.36Å; D33-M37 PolarHBondContact O-N 3.14Å | ||
| 34 | V | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.8 | -38.9 | -178.3 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | V38 D73 I74 L77 T180 L183 | V34-V38 HydrophobicContact CG1-CG2 4.21Å; V34-V38 VanDerWaalsContact O-CB 3.3Å; V34-V38 WeakPolarHBondContact O-CB 3.39Å; V34-V38 WeakPolarHBondContact O-CG2 3.32Å; V34-V38 PolarHBondContact O-N 2.8Å; V34-D73 HydrophobicContact CG2-CB 4.23Å; V34-I74 HydrophobicContact CG2-CG1 3.82Å; V34-L77 HydrophobicContact CG1-CD2 3.63Å; V34-T180 HydrophobicContact CG1-CG2 4.18Å; V34-T180 WeakPolarHBondContact CG1-OG1 3.39Å; V34-L183 HydrophobicContact CB-CD2 4.04Å; V34-L183 HydrophobicContact CG1-CD2 4.39Å; V34-L183 HydrophobicContact CG2-CD2 3.82Å |
| 35 | D | 98 | Very high | 97 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.011 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66 | -54.9 | -179.6 | -158.1 | -11.5 | 0 | 0 | 0 | 112 | D33 M37 V38 S39 S152 C153 A154 T180 D184 | D33-D35 PolarHBondContact O-N 3.32Å; D33-D35 PolarHBondContact OD1-N 2.82Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.41Å; D35-V38 PolarHBondContact O-N 2.79Å; D35-S39 WeakPolarHBondContact O-CB 3.42Å; D35-S39 PolarHBondContact O-N 3.48Å; D35-S39 PolarHBondContact O-OG 2.79Å; D35-S39 PolarHBondContact OD1-OG 2.71Å; D35-S152 PolarHBondContact OD1-OG 3.05Å; D35-S152 VanDerWaalsContact OD2-CA 3.25Å; D35-S152 WeakPolarHBondContact OD2-CA 3.15Å; D35-S152 WeakPolarHBondContact OD2-CB 3.47Å; D35-S152 PolarHBondContact OD2-OG 3.28Å; D35-C153 WeakPolarHBondContact OD1-CB 3.34Å; D35-C153 PolarHBondContact OD2-N 3.39Å; D35-A154 PolarHBondContact OD1-N 3.35Å; D35-T180 VanDerWaalsContact CA-CG2 3.41Å; D35-T180 HydrophobicContact CB-CG2 3.81Å; D35-D184 WeakPolarHBondContact CB-OD2 3.25Å |
| 36 | S | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -54.2 | -44.8 | 176 | -89.9 | 0 | 0 | 0 | 0 | 113 | N29 D33 A40 D111 | N29-S36 PolarHBondContact N-OG 3.36Å; N29-S36 PolarHBondContact ND2-OG 2.91Å; N29-S36 VanDerWaalsContact ND2-OG 3.08Å; N29-S36 PolarHBondContact OD1-OG 3.15Å; D33-S36 WeakPolarHBondContact OD1-CB 3.42Å; D33-S36 PolarHBondContact OD1-N 3.38Å; S36-A40 WeakPolarHBondContact O-CB 3.49Å; S36-A40 PolarHBondContact O-N 2.67Å; S36-A40 VanDerWaalsContact O-N 3.09Å; S36-D111 WeakPolarHBondContact CB-OD2 3.43Å; S36-D111 PolarHBondContact N-OD2 3.23Å; S36-D111 WeakPolarHBondContact OG-CB 3.44Å; S36-D111 PolarHBondContact OG-OD2 2.97Å |
| 37 | M | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.1 | -54.3 | 177.4 | 170.5 | -174.6 | 75.3 | 0 | 0 | 111.4 | D33 D35 A40 M41 M61 I74 L77 L78 L88 | D33-M37 WeakPolarHBondContact O-CB 3.36Å; D33-M37 PolarHBondContact O-N 3.14Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.41Å; M37-A40 PolarHBondContact O-N 3.4Å; M37-M41 HydrophobicContact CG-CG 4.45Å; M37-M41 HydrophobicContact CG-SD 3.64Å; M37-M41 WeakPolarHBondContact O-CB 3.35Å; M37-M41 VanDerWaalsContact O-CG 3.27Å; M37-M41 WeakPolarHBondContact O-CG 3.26Å; M37-M41 PolarHBondContact O-N 2.8Å; M37-M41 HydrophobicContact SD-SD 4.17Å; M37-M61 HydrophobicContact CB-SD 3.83Å; M37-M61 HydrophobicContact CG-CE 4.38Å; M37-M61 HydrophobicContact CG-SD 3.52Å; M37-M61 VanDerWaalsContact CG-SD 3.52Å; M37-I74 HydrophobicContact CB-CD1 4.3Å; M37-I74 HydrophobicContact CE-CB 4.22Å; M37-I74 HydrophobicContact CE-CG1 3.89Å; M37-I74 HydrophobicContact CE-CG2 3.81Å; M37-I74 HydrophobicContact SD-CB 4.22Å; M37-I74 HydrophobicContact SD-CD1 4.38Å; M37-I74 HydrophobicContact SD-CG1 4.05Å; M37-I74 HydrophobicContact SD-CG2 3.29Å; M37-I74 WeakPolarHBondContact SD-CG2 3.13Å; M37-L77 HydrophobicContact CE-CD2 4.44Å; M37-L78 HydrophobicContact CE-CD2 4.33Å; M37-L78 HydrophobicContact CE-CG 4.33Å; M37-L78 HydrophobicContact SD-CD1 4.13Å; M37-L78 HydrophobicContact SD-CD2 4.11Å; M37-L78 HydrophobicContact SD-CG 4.19Å; M37-L88 HydrophobicContact SD-CD1 4.41Å |
| 38 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.9 | -43.3 | -172.1 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | V34 D35 A40 M41 A42 L77 L176 L177 T180 | V34-V38 HydrophobicContact CG1-CG2 4.21Å; V34-V38 VanDerWaalsContact O-CB 3.3Å; V34-V38 WeakPolarHBondContact O-CB 3.39Å; V34-V38 WeakPolarHBondContact O-CG2 3.32Å; V34-V38 PolarHBondContact O-N 2.8Å; D35-V38 PolarHBondContact O-N 2.79Å; V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 PolarHBondContact O-N 3.32Å; V38-M41 PolarHBondContact O-N 3.31Å; V38-A42 VanDerWaalsContact O-CB 3.25Å; V38-A42 WeakPolarHBondContact O-CB 3.38Å; V38-A42 PolarHBondContact O-N 3.41Å; V38-L77 HydrophobicContact CG2-CD2 4.05Å; V38-L176 HydrophobicContact CG1-CB 3.87Å; V38-L176 HydrophobicContact CG2-CB 4.11Å; V38-L176 HydrophobicContact CG2-CD2 4.35Å; V38-L177 HydrophobicContact CG1-CD2 4.03Å; V38-L177 HydrophobicContact CG1-CG 4.45Å; V38-T180 HydrophobicContact CB-CG2 4.47Å; V38-T180 WeakPolarHBondContact CB-OG1 3.33Å; V38-T180 WeakPolarHBondContact CG1-OG1 3.49Å; V38-T180 VanDerWaalsContact CG2-OG1 3.3Å; V38-T180 WeakPolarHBondContact CG2-OG1 3.49Å |
| 39 | S | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 174.7 | -73.4 | 0 | 0 | 0 | 0 | 110.8 | D35 F43 A154 | D35-S39 WeakPolarHBondContact O-CB 3.42Å; D35-S39 PolarHBondContact O-N 3.48Å; D35-S39 PolarHBondContact O-OG 2.79Å; D35-S39 PolarHBondContact OD1-OG 2.71Å; S39-F43 WeakPolarHBondContact O-CB 3.28Å; S39-F43 PolarHBondContact O-N 2.78Å; S39-A154 WeakPolarHBondContact OG-CA 3.49Å; S39-A154 PolarHBondContact OG-N 2.91Å; S39-A154 VanDerWaalsContact OG-N 3.13Å |
| 40 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V26 S36 M37 V38 A44 M61 V110 | V26-A40 HydrophobicContact CG1-CB 4.15Å; S36-A40 WeakPolarHBondContact O-CB 3.49Å; S36-A40 PolarHBondContact O-N 2.67Å; S36-A40 VanDerWaalsContact O-N 3.09Å; M37-A40 PolarHBondContact O-N 3.4Å; V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 PolarHBondContact O-N 3.32Å; A40-A44 WeakPolarHBondContact O-CB 3.36Å; A40-A44 PolarHBondContact O-N 3.49Å; A40-M61 HydrophobicContact CB-CE 4.09Å; A40-V110 HydrophobicContact CB-CG2 3.87Å |
| 41 | M | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -51.4 | 178.5 | -72.2 | 174.6 | 57.2 | 0 | 0 | 112.6 | M1 L5 M37 V38 Y45 P59 M61 L83 L88 L176 | M1-M41 HydrophobicContact CE-CB 4.25Å; M1-M41 WeakPolarHBondContact CE-O 3.38Å; M1-M41 HydrophobicContact CG-CE 4.04Å; M1-M41 HydrophobicContact SD-CE 4.34Å; L5-M41 HydrophobicContact CD1-CE 3.98Å; M37-M41 HydrophobicContact CG-CG 4.45Å; M37-M41 HydrophobicContact CG-SD 3.64Å; M37-M41 WeakPolarHBondContact O-CB 3.35Å; M37-M41 VanDerWaalsContact O-CG 3.27Å; M37-M41 WeakPolarHBondContact O-CG 3.26Å; M37-M41 PolarHBondContact O-N 2.8Å; M37-M41 HydrophobicContact SD-SD 4.17Å; V38-M41 PolarHBondContact O-N 3.31Å; M41-Y45 WeakPolarHBondContact O-CB 3.41Å; M41-Y45 PolarHBondContact O-N 3.1Å; M41-P59 HydrophobicContact CG-CB 4.19Å; M41-M61 HydrophobicContact CG-CE 3.99Å; M41-L83 HydrophobicContact CE-CD1 3.86Å; M41-L88 HydrophobicContact CE-CD2 4.04Å; M41-L88 HydrophobicContact CG-CD2 4.43Å; M41-L88 HydrophobicContact SD-CD2 3.63Å; M41-L176 HydrophobicContact CE-CD1 4.24Å |
| 42 | A | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V38 Y45 F46 V157 I161 L177 | V38-A42 VanDerWaalsContact O-CB 3.25Å; V38-A42 WeakPolarHBondContact O-CB 3.38Å; V38-A42 PolarHBondContact O-N 3.41Å; A42-Y45 PolarHBondContact O-N 3.01Å; A42-F46 WeakPolarHBondContact O-CB 3.48Å; A42-F46 PolarHBondContact O-N 3.49Å; A42-V157 HydrophobicContact CB-CG1 3.79Å; A42-I161 HydrophobicContact CB-CD1 4.29Å; A42-L177 HydrophobicContact CB-CD1 4.49Å; A42-L177 HydrophobicContact CB-CD2 3.74Å; A42-L177 HydrophobicContact CB-CG 4.24Å |
| 43 | F | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.4 | -39.3 | 178 | -166.2 | -112.6 | 0 | 0 | 0 | 112.3 | V26 S39 Y45 F46 L47 V110 E128 L130 V157 R160 | V26-F43 HydrophobicContact CG1-CB 4.21Å; V26-F43 HydrophobicContact CG1-CD1 3.86Å; V26-F43 HydrophobicContact CG2-CD1 4.11Å; S39-F43 WeakPolarHBondContact O-CB 3.28Å; S39-F43 PolarHBondContact O-N 2.78Å; F43-Y45 VanDerWaalsContact C-N 3.31Å; F43-Y45 PolarHBondContact O-N 2.93Å; F43-F46 HydrophobicContact CD2-CD1 4.12Å; F43-F46 AromaticContact CE2-CD1 3.93Å; F43-F46 HydrophobicContact CE2-CD1 3.93Å; F43-F46 HydrophobicContact CE2-CE1 4.31Å; F43-F46 WeakPolarHBondContact O-CB 3.44Å; F43-F46 PolarHBondContact O-N 3.39Å; F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CD1-CG 4.35Å; F43-L47 HydrophobicContact CE1-CD1 3.73Å; F43-L47 HydrophobicContact CE1-CD2 4.39Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.4Å; F43-L47 HydrophobicContact CZ-CD2 4.26Å; F43-L47 HydrophobicContact CZ-CG 4.34Å; F43-L47 WeakPolarHBondContact O-CG 3.34Å; F43-L47 PolarHBondContact O-N 3.26Å; F43-V110 HydrophobicContact CB-CG1 4.27Å; F43-V110 HydrophobicContact CD1-CG1 4.06Å; F43-V110 HydrophobicContact CG-CG1 4.3Å; F43-E128 WeakPolarHBondContact CZ-OE2 3.39Å; F43-L130 HydrophobicContact CD2-CD2 4.04Å; F43-L130 HydrophobicContact CE1-CD1 4.12Å; F43-L130 HydrophobicContact CE2-CD1 4.04Å; F43-L130 HydrophobicContact CE2-CD2 3.8Å; F43-L130 HydrophobicContact CZ-CD1 3.68Å; F43-L130 HydrophobicContact CZ-CD2 4.29Å; F43-V157 HydrophobicContact CB-CG1 4.06Å; F43-V157 HydrophobicContact CB-CG2 4.28Å; F43-V157 HydrophobicContact CD2-CG1 4.44Å; F43-R160 HydrophobicContact CE2-CG 4.22Å |
| 44 | A | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | F4 V26 A40 L47 F48 V57 P59 | F4-A44 HydrophobicContact CE1-CB 4.19Å; F4-A44 HydrophobicContact CZ-CB 4.02Å; V26-A44 HydrophobicContact CB-CB 4.04Å; V26-A44 HydrophobicContact CG2-CB 3.67Å; A40-A44 WeakPolarHBondContact O-CB 3.36Å; A40-A44 PolarHBondContact O-N 3.49Å; A44-L47 PolarHBondContact O-N 3.32Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.86Å; A44-V57 HydrophobicContact CB-CG1 3.97Å; A44-V57 WeakPolarHBondContact O-CG1 3.48Å; A44-P59 HydrophobicContact CB-CB 3.73Å; A44-P59 HydrophobicContact CB-CG 4.04Å |
| 45 | Y | 97.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 176.1 | -176.8 | -110 | 0 | 0 | 0 | 112.4 | M1 F4 M41 A42 F43 F48 K49 I168 I173 | M1-Y45 HydrophobicContact CE-CD1 4.36Å; M1-Y45 HydrophobicContact CE-CG 3.96Å; M1-Y45 HydrophobicContact SD-CD2 4.46Å; M1-Y45 HydrophobicContact SD-CG 4.35Å; F4-Y45 HydrophobicContact CB-CD2 3.63Å; F4-Y45 HydrophobicContact CB-CE2 3.79Å; F4-Y45 AromaticContact CD1-CD2 3.65Å; F4-Y45 HydrophobicContact CD1-CD2 3.65Å; F4-Y45 HydrophobicContact CD1-CG 4.32Å; F4-Y45 HydrophobicContact CD2-CD2 4.32Å; F4-Y45 HydrophobicContact CE1-CD2 4.36Å; F4-Y45 AromaticContact CG-CD2 3.61Å; F4-Y45 HydrophobicContact CG-CD2 3.61Å; F4-Y45 HydrophobicContact CG-CE2 4.26Å; M41-Y45 WeakPolarHBondContact O-CB 3.41Å; M41-Y45 PolarHBondContact O-N 3.1Å; A42-Y45 PolarHBondContact O-N 3.01Å; F43-Y45 VanDerWaalsContact C-N 3.31Å; F43-Y45 PolarHBondContact O-N 2.93Å; Y45-F48 HydrophobicContact CD2-CD1 4.33Å; Y45-F48 HydrophobicContact CE2-CD1 4.44Å; Y45-F48 PolarHBondContact O-N 2.74Å; Y45-K49 HydrophobicContact CD1-CG 4.45Å; Y45-K49 HydrophobicContact CD2-CG 4.44Å; Y45-K49 HydrophobicContact CE1-CG 4.11Å; Y45-K49 HydrophobicContact CE2-CD 4.41Å; Y45-K49 VanDerWaalsContact CE2-CE 3.45Å; Y45-K49 HydrophobicContact CE2-CG 4.11Å; Y45-K49 WeakPolarHBondContact O-CG 3.34Å; Y45-K49 PolarHBondContact O-N 2.82Å; Y45-K49 WeakPolarHBondContact OH-CE 3.46Å; Y45-I168 HydrophobicContact CD1-CD1 4.14Å; Y45-I168 HydrophobicContact CD1-CG1 4.44Å; Y45-I168 HydrophobicContact CE1-CB 3.96Å; Y45-I168 HydrophobicContact CE1-CD1 4.41Å; Y45-I168 HydrophobicContact CE1-CG1 4.29Å; Y45-I173 HydrophobicContact CD1-CD1 3.32Å; Y45-I173 HydrophobicContact CE1-CD1 3.13Å; Y45-I173 HydrophobicContact CG-CD1 4.28Å |
| 46 | F | 97.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -55.8 | 171.7 | 168.8 | -100.2 | 0 | 0 | 0 | 110.8 | A42 F43 F48 K49 T50 R160 I161 E164 A165 I168 | A42-F46 WeakPolarHBondContact O-CB 3.48Å; A42-F46 PolarHBondContact O-N 3.49Å; F43-F46 HydrophobicContact CD2-CD1 4.12Å; F43-F46 AromaticContact CE2-CD1 3.93Å; F43-F46 HydrophobicContact CE2-CD1 3.93Å; F43-F46 HydrophobicContact CE2-CE1 4.31Å; F43-F46 WeakPolarHBondContact O-CB 3.44Å; F43-F46 PolarHBondContact O-N 3.39Å; F46-F48 VanDerWaalsContact C-N 3.29Å; F46-F48 PolarHBondContact O-N 2.76Å; F46-K49 PolarHBondContact O-N 2.93Å; F46-T50 HydrophobicContact CD2-CG2 3.93Å; F46-T50 HydrophobicContact CE2-CG2 3.6Å; F46-T50 HydrophobicContact CZ-CG2 3.98Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 3.01Å; F46-T50 PolarHBondContact O-OG1 3.4Å; F46-R160 HydrophobicContact CD1-CG 4.26Å; F46-R160 HydrophobicContact CE1-CG 3.77Å; F46-R160 HydrophobicContact CE2-CG 4.27Å; F46-R160 HydrophobicContact CZ-CG 3.78Å; F46-I161 HydrophobicContact CB-CD1 4.4Å; F46-I161 HydrophobicContact CB-CG1 3.97Å; F46-I161 HydrophobicContact CD2-CG1 3.86Å; F46-I161 HydrophobicContact CG-CG1 4.14Å; F46-E164 HydrophobicContact CE2-CB 3.91Å; F46-E164 HydrophobicContact CZ-CB 3.94Å; F46-E164 WeakPolarHBondContact CZ-OE2 3.48Å; F46-A165 HydrophobicContact CD2-CB 4.04Å; F46-A165 HydrophobicContact CE2-CB 3.78Å; F46-I168 HydrophobicContact CB-CD1 3.92Å; F46-I168 HydrophobicContact CD2-CD1 3.92Å; F46-I168 HydrophobicContact CG-CD1 4.42Å |
| 47 | L | 95.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | 177.8 | -69.4 | 176.1 | 0 | 0 | 0 | 111.7 | V26 F43 A44 K49 T50 A51 V57 | V26-L47 HydrophobicContact CG2-CD1 3.84Å; F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CD1-CG 4.35Å; F43-L47 HydrophobicContact CE1-CD1 3.73Å; F43-L47 HydrophobicContact CE1-CD2 4.39Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.4Å; F43-L47 HydrophobicContact CZ-CD2 4.26Å; F43-L47 HydrophobicContact CZ-CG 4.34Å; F43-L47 WeakPolarHBondContact O-CG 3.34Å; F43-L47 PolarHBondContact O-N 3.26Å; A44-L47 PolarHBondContact O-N 3.32Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 2.91Å; L47-T50 PolarHBondContact O-N 2.86Å; L47-A51 WeakPolarHBondContact O-CA 3.46Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 3.29Å; L47-V57 HydrophobicContact CB-CG1 3.95Å; L47-V57 HydrophobicContact CB-CG2 4.28Å; L47-V57 HydrophobicContact CD1-CG1 4.32Å |
| 48 | F | 94.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 38% | 0.382 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.8 | -33.2 | 175.8 | 171.8 | -105 | 0 | 0 | 0 | 113.5 | F4 A44 Y45 F46 V57 | F4-F48 HydrophobicContact CB-CD1 4.49Å; F4-F48 HydrophobicContact CD2-CB 3.9Å; F4-F48 AromaticContact CD2-CD1 3.46Å; F4-F48 HydrophobicContact CD2-CD1 3.46Å; F4-F48 VanDerWaalsContact CD2-CD1 3.46Å; F4-F48 AromaticContact CD2-CD2 3.92Å; F4-F48 HydrophobicContact CD2-CD2 3.92Å; F4-F48 AromaticContact CD2-CE1 3.92Å; F4-F48 HydrophobicContact CD2-CE1 3.92Å; F4-F48 HydrophobicContact CD2-CE2 4.33Å; F4-F48 AromaticContact CD2-CG 3.46Å; F4-F48 HydrophobicContact CD2-CG 3.46Å; F4-F48 VanDerWaalsContact CD2-CG 3.46Å; F4-F48 HydrophobicContact CD2-CZ 4.33Å; F4-F48 HydrophobicContact CE2-CB 3.45Å; F4-F48 VanDerWaalsContact CE2-CB 3.45Å; F4-F48 AromaticContact CE2-CD1 3.96Å; F4-F48 HydrophobicContact CE2-CD1 3.96Å; F4-F48 AromaticContact CE2-CD2 3.85Å; F4-F48 HydrophobicContact CE2-CD2 3.85Å; F4-F48 AromaticContact CE2-CG 3.46Å; F4-F48 HydrophobicContact CE2-CG 3.46Å; F4-F48 VanDerWaalsContact CE2-CG 3.46Å; F4-F48 HydrophobicContact CG-CD1 4.21Å; F4-F48 HydrophobicContact CZ-CB 4.09Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.86Å; Y45-F48 HydrophobicContact CD2-CD1 4.33Å; Y45-F48 HydrophobicContact CE2-CD1 4.44Å; Y45-F48 PolarHBondContact O-N 2.74Å; F46-F48 VanDerWaalsContact C-N 3.29Å; F46-F48 PolarHBondContact O-N 2.76Å; F48-V57 HydrophobicContact CB-CB 4.43Å |
| 49 | K | 94.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -87.7 | -20.3 | -179.1 | -70.1 | -63.1 | -172.9 | 179.8 | 0 | 113.8 | Y45 F46 L47 I168 | Y45-K49 HydrophobicContact CD1-CG 4.45Å; Y45-K49 HydrophobicContact CD2-CG 4.44Å; Y45-K49 HydrophobicContact CE1-CG 4.11Å; Y45-K49 HydrophobicContact CE2-CD 4.41Å; Y45-K49 VanDerWaalsContact CE2-CE 3.45Å; Y45-K49 HydrophobicContact CE2-CG 4.11Å; Y45-K49 WeakPolarHBondContact O-CG 3.34Å; Y45-K49 PolarHBondContact O-N 2.82Å; Y45-K49 WeakPolarHBondContact OH-CE 3.46Å; F46-K49 PolarHBondContact O-N 2.93Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 2.91Å; K49-I168 HydrophobicContact CB-CG2 3.65Å; K49-I168 HydrophobicContact CG-CB 4.35Å; K49-I168 HydrophobicContact CG-CG2 3.9Å |
| 50 | T | 92.4 | Very high | 91.1 | Very high | 64 Ų | 64 | 35 Ų | 35 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -110.7 | -28.2 | -175.2 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | F46 L47 A165 | F46-T50 HydrophobicContact CD2-CG2 3.93Å; F46-T50 HydrophobicContact CE2-CG2 3.6Å; F46-T50 HydrophobicContact CZ-CG2 3.98Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 3.01Å; F46-T50 PolarHBondContact O-OG1 3.4Å; L47-T50 PolarHBondContact O-N 2.86Å; T50-A165 HydrophobicContact CG2-CB 3.54Å |
| 51 | A | 81.9 | Confident | 91.1 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.6 | 150.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L47 | L47-A51 WeakPolarHBondContact O-CA 3.46Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 3.29Å |
| 52 | G | 66.7 | Low | 91 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 58% | 0.577 | 22% | 0.216 | S | C | * | . | trans | -64.9 | 163 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D54 | G52-D54 PolarHBondContact O-N 2.9Š| ||
| 53 | S | 65.3 | Low | 90.8 | Very high | 124 Ų | 124 | 36.1 Ų | 36.1 | 87% | 0.867 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 13.6 | -172.1 | 48.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 54 | D | 73.1 | Confident | 90.7 | Very high | 137 Ų | 137 | 42.8 Ų | 42.8 | 73% | 0.733 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -13.4 | -165.8 | -63 | -22.1 | 0 | 0 | 0 | 113.9 | G52 | G52-D54 PolarHBondContact O-N 2.9Š|
| 55 | S | 83.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 47 Ų | 47 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146 | -179.8 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | D22 V57 | D22-S55 WeakPolarHBondContact O-CA 3.37Å; S55-V57 PolarHBondContact O-N 3.32Å |
| 56 | L | 91.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.8 | 173.6 | 175.9 | 60.5 | 0 | 0 | 0 | 109.5 | T11 P21 D22 V23 H24 L58 | T11-L56 HydrophobicContact CG2-CD1 3.83Å; T11-L56 HydrophobicContact CG2-CD2 3.67Å; T11-L56 HydrophobicContact CG2-CG 4.3Å; P21-L56 HydrophobicContact CG-CB 4.25Å; D22-L56 PolarHBondContact O-N 3.18Å; V23-L56 WeakPolarHBondContact CA-O 3.42Å; H24-L56 PolarHBondContact N-O 2.88Å; L56-L58 HydrophobicContact CD1-CD2 3.87Å; L56-L58 HydrophobicContact CD2-CD1 4.18Å; L56-L58 HydrophobicContact CD2-CD2 4Å; L56-L58 HydrophobicContact CD2-CG 4.27Å; L56-L58 HydrophobicContact CG-CD1 4.37Å; L56-L58 HydrophobicContact CG-CD2 3.73Å; L56-L58 HydrophobicContact CG-CG 3.94Å |
| 57 | V | 94.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.8 | 177.5 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | C8 H24 V26 A44 L47 F48 S55 | C8-V57 PolarHBondContact SG-O 3.28Å; C8-V57 VanDerWaalsContact SG-O 3.4Å; H24-V57 HydrophobicContact CB-CG2 4.35Å; H24-V57 CarbonylContact O-C 3.53Å; H24-V57 VanDerWaalsContact O-CA 3.26Å; H24-V57 WeakPolarHBondContact O-CA 2.93Å; V26-V57 HydrophobicContact CG2-CG1 4.38Å; A44-V57 HydrophobicContact CB-CG1 3.97Å; A44-V57 WeakPolarHBondContact O-CG1 3.48Å; L47-V57 HydrophobicContact CB-CG1 3.95Å; L47-V57 HydrophobicContact CB-CG2 4.28Å; L47-V57 HydrophobicContact CD1-CG1 4.32Å; F48-V57 HydrophobicContact CB-CB 4.43Å; S55-V57 PolarHBondContact O-N 3.32Å |
| 58 | L | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.1 | -175.7 | -57.6 | 178.6 | 0 | 0 | 0 | 111.3 | C8 L12 V23 H24 V25 V26 L56 L89 L94 | C8-L58 HydrophobicContact CB-CD2 3.55Å; L12-L58 HydrophobicContact CD1-CD1 4.42Å; V23-L58 HydrophobicContact CG1-CD1 3.57Å; V23-L58 HydrophobicContact CG1-CG 4.15Å; H24-L58 PolarHBondContact O-N 2.89Å; V25-L58 CarbonylContact C-O 3.55Å; V25-L58 WeakPolarHBondContact CA-O 3.39Å; V25-L58 HydrophobicContact CG2-CB 4.49Å; V26-L58 PolarHBondContact N-O 3.39Å; L56-L58 HydrophobicContact CD1-CD2 3.87Å; L56-L58 HydrophobicContact CD2-CD1 4.18Å; L56-L58 HydrophobicContact CD2-CD2 4Å; L56-L58 HydrophobicContact CD2-CG 4.27Å; L56-L58 HydrophobicContact CG-CD1 4.37Å; L56-L58 HydrophobicContact CG-CD2 3.73Å; L56-L58 HydrophobicContact CG-CG 3.94Å; L58-L89 HydrophobicContact CB-CD1 4.21Å; L58-L89 HydrophobicContact CD1-CD1 4.2Å; L58-L89 HydrophobicContact CD2-CD1 3.86Å; L58-L89 HydrophobicContact CG-CD1 4.33Å; L58-L94 HydrophobicContact CD1-CD2 4.11Å |
| 59 | P | 97.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.9 | 162.2 | 30.4 | -29.4 | 0 | 0 | 0 | 109.5 | F4 L5 M41 A44 M61 | F4-P59 HydrophobicContact CE1-CG 4.11Å; L5-P59 HydrophobicContact CD2-CG 3.63Å; M41-P59 HydrophobicContact CG-CB 4.19Å; A44-P59 HydrophobicContact CB-CB 3.73Å; A44-P59 HydrophobicContact CB-CG 4.04Å; P59-M61 HydrophobicContact CB-CE 4.23Å |
| 60 | L | 98.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121 | 178.6 | -172.1 | 68.4 | 0 | 0 | 0 | 110.4 | V25 V26 L27 N62 L89 F90 L94 L96 | V25-L60 HydrophobicContact CG1-CB 3.48Å; V25-L60 VanDerWaalsContact CG1-CB 3.48Å; V25-L60 HydrophobicContact CG1-CD2 3.98Å; V25-L60 HydrophobicContact CG1-CG 4.37Å; V26-L60 PolarHBondContact O-N 3.34Å; L27-L60 HydrophobicContact CD1-CB 4.12Å; L27-L60 HydrophobicContact CD1-CD2 4.03Å; L27-L60 HydrophobicContact CD1-CG 4.21Å; L60-N62 PolarHBondContact O-N 3.31Å; L60-L89 HydrophobicContact CD1-CB 4.04Å; L60-F90 WeakPolarHBondContact CD1-O 3.47Å; L60-L94 HydrophobicContact CD1-CB 4.22Å; L60-L94 HydrophobicContact CD1-CD2 4.44Å; L60-L94 HydrophobicContact CD2-CD2 4.36Å; L60-L96 HydrophobicContact CD2-CD1 4.05Å; L60-L96 HydrophobicContact CD2-CD2 3.96Å; L60-L96 HydrophobicContact CD2-CG 4.2Å |
| 61 | M | 98.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119.2 | 172.8 | -55.2 | -57.3 | 100.7 | 0 | 0 | 107.8 | M37 A40 M41 P59 I63 L88 L89 F90 R91 | M37-M61 HydrophobicContact CB-SD 3.83Å; M37-M61 HydrophobicContact CG-CE 4.38Å; M37-M61 HydrophobicContact CG-SD 3.52Å; M37-M61 VanDerWaalsContact CG-SD 3.52Å; A40-M61 HydrophobicContact CB-CE 4.09Å; M41-M61 HydrophobicContact CG-CE 3.99Å; P59-M61 HydrophobicContact CB-CE 4.23Å; M61-I63 HydrophobicContact CB-CG1 4.23Å; M61-I63 PolarHBondContact O-N 2.92Å; M61-L88 HydrophobicContact CG-CB 4.28Å; M61-L88 HydrophobicContact CG-CD1 4.41Å; M61-L89 WeakPolarHBondContact CB-O 3.21Å; M61-L89 WeakPolarHBondContact CG-O 3.37Å; M61-L89 PolarHBondContact N-O 2.94Å; M61-F90 HydrophobicContact CB-CD1 3.78Å; M61-F90 HydrophobicContact CB-CE1 3.97Å; M61-F90 HydrophobicContact CG-CD1 4.33Å; M61-F90 HydrophobicContact CG-CE1 4.12Å; M61-R91 PolarHBondContact O-N 2.92Å |
| 62 | N | 96.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -79.4 | 42.4 | -170.7 | -159.9 | 16.3 | 0 | 0 | 0 | 113.3 | L27 G28 N29 L60 R91 | L27-N62 HydrophobicContact CD1-CB 3.66Å; L27-N62 HydrophobicContact CG-CB 4.38Å; G28-N62 WeakPolarHBondContact O-CB 3.17Å; G28-N62 PolarHBondContact O-ND2 3.46Å; N29-N62 WeakPolarHBondContact O-CB 3.33Å; L60-N62 PolarHBondContact O-N 3.31Å; N62-R91 WeakPolarHBondContact OD1-CD 3.39Å; N62-R91 PolarHBondContact OD1-NH1 2.87Å |
| 63 | I | 95.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -143.2 | 164.7 | -178.7 | 60.7 | 173.4 | 0 | 0 | 0 | 108.9 | C32 M61 F90 R91 | C32-I63 HydrophobicContact CB-CB 4.43Å; C32-I63 HydrophobicContact CB-CD1 4.23Å; C32-I63 HydrophobicContact CB-CG1 4.25Å; C32-I63 HydrophobicContact CB-CG2 3.42Å; C32-I63 VanDerWaalsContact CB-CG2 3.42Å; M61-I63 HydrophobicContact CB-CG1 4.23Å; M61-I63 PolarHBondContact O-N 2.92Å; I63-F90 HydrophobicContact CD1-CE1 4.41Å; I63-F90 HydrophobicContact CG1-CD1 4.01Å; I63-F90 HydrophobicContact CG1-CE1 4.36Å; I63-F90 WeakPolarHBondContact O-CB 3.41Å; I63-R91 WeakPolarHBondContact O-CB 3.29Å; I63-R91 PolarHBondContact O-N 2.93Å |
| 64 | R | 95.6 | Very high | 93.7 | Very high | 139 Ų | 139 | 31.8 Ų | 31.8 | 53% | 0.525 | 17% | 0.166 | S | C | . | . | trans | -72.9 | 151.5 | 170.3 | -57.7 | 178.9 | -64.4 | -178.7 | 4.1 | 110.4 | S66 D67 D92 | R64-S66 PolarHBondContact O-N 2.83Å; R64-D67 IonicContact CZ-OD1 2.85Å; R64-D67 IonicContact CZ-OD2 3.84Å; R64-D67 IonicContact NE-OD1 2.66Å; R64-D67 IonicContact NE-OD2 3.83Å; R64-D67 PolarHBondContact NE-OD2 2.98Å; R64-D67 IonicContact NH2-OD1 2.57Å; R64-D67 PolarHBondContact NH2-OD1 3.05Å; R64-D67 VanDerWaalsContact NH2-OD1 3.16Å; R64-D67 IonicContact NH2-OD2 2.82Å; R64-D67 PolarHBondContact NH2-OD2 2.99Å; R64-D67 PolarHBondContact O-N 3.32Å; R64-D92 WeakPolarHBondContact CA-OD1 3.41Å; R64-D92 HydrophobicContact CB-CB 4.42Å; R64-D92 HydrophobicContact CG-CB 4.18Å | ||
| 65 | Q | 96.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 25.8 Ų | 25.8 | 42% | 0.416 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -56.8 | -37 | 176.6 | -175.8 | 179.3 | 10 | 0 | 0 | 112.5 | D67 L68 F90 D92 | Q65-D67 PolarHBondContact O-N 2.83Å; Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.05Å; Q65-F90 HydrophobicContact CB-CB 4.05Å; Q65-F90 HydrophobicContact CB-CD1 4.32Å; Q65-F90 HydrophobicContact CB-CD2 3.64Å; Q65-F90 HydrophobicContact CB-CE2 4.2Å; Q65-F90 HydrophobicContact CB-CG 3.72Å; Q65-F90 HydrophobicContact CG-CD2 3.72Å; Q65-F90 HydrophobicContact CG-CE2 3.8Å; Q65-F90 HydrophobicContact CG-CG 4.25Å; Q65-F90 HydrophobicContact CG-CZ 4.4Å; Q65-D92 PolarHBondContact N-OD1 3.44Å; Q65-D92 PolarHBondContact N-OD2 3.31Å |
| 66 | S | 94 | Very high | 95.5 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 50% | 0.497 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -59.5 | -25.3 | 178 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | R64 | R64-S66 PolarHBondContact O-N 2.83Š|
| 67 | D | 94.2 | Very high | 95.8 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 17% | 0.166 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -92.9 | -6.1 | -171 | -54 | -18.5 | 0 | 0 | 0 | 111.7 | R64 Q65 V69 L70 R71 | R64-D67 IonicContact CZ-OD1 2.85Å; R64-D67 IonicContact CZ-OD2 3.84Å; R64-D67 IonicContact NE-OD1 2.66Å; R64-D67 IonicContact NE-OD2 3.83Å; R64-D67 PolarHBondContact NE-OD2 2.98Å; R64-D67 IonicContact NH2-OD1 2.57Å; R64-D67 PolarHBondContact NH2-OD1 3.05Å; R64-D67 VanDerWaalsContact NH2-OD1 3.16Å; R64-D67 IonicContact NH2-OD2 2.82Å; R64-D67 PolarHBondContact NH2-OD2 2.99Å; R64-D67 PolarHBondContact O-N 3.32Å; Q65-D67 PolarHBondContact O-N 2.83Å; D67-V69 PolarHBondContact O-N 2.96Å; D67-L70 HydrophobicContact CB-CD1 4.39Å; D67-L70 WeakPolarHBondContact O-CB 3.4Å; D67-L70 PolarHBondContact O-N 2.97Å; D67-R71 PolarHBondContact O-NH1 2.74Å |
| 68 | L | 95.4 | Very high | 96 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -58.9 | -38.1 | 176.5 | -179.3 | 69 | 0 | 0 | 0 | 111.8 | Q65 L70 R71 I74 V75 Q85 F90 | Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.05Å; L68-L70 PolarHBondContact O-N 2.94Å; L68-L70 VanDerWaalsContact O-N 3.16Å; L68-R71 PolarHBondContact O-N 2.88Å; L68-I74 HydrophobicContact CD1-CG2 3.69Å; L68-V75 HydrophobicContact CG-CG2 4.15Å; L68-Q85 HydrophobicContact CD2-CB 3.86Å; L68-Q85 HydrophobicContact CD2-CG 3.99Å; L68-F90 HydrophobicContact CB-CE1 4.06Å; L68-F90 HydrophobicContact CB-CZ 4.28Å; L68-F90 HydrophobicContact CD1-CE1 4.16Å; L68-F90 HydrophobicContact CD1-CZ 4.33Å; L68-F90 HydrophobicContact CD2-CE1 4.4Å; L68-F90 HydrophobicContact CD2-CZ 3.87Å; L68-F90 HydrophobicContact CG-CE1 4.43Å; L68-F90 HydrophobicContact CG-CZ 4.38Å |
| 69 | V | 94.2 | Very high | 96 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 32% | 0.315 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.9 | -177.5 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | D67 R71 L233 Q237 | D67-V69 PolarHBondContact O-N 2.96Å; V69-R71 PolarHBondContact O-N 2.84Å; V69-L233 HydrophobicContact CG1-CD2 4.41Å; V69-L233 HydrophobicContact CG2-CD2 3.72Å; V69-L233 WeakPolarHBondContact O-CD2 3.48Å; V69-Q237 HydrophobicContact CG1-CG 4.23Å |
| 70 | L | 93.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -69.8 | -21 | 177.9 | -51.7 | -177.6 | 0 | 0 | 0 | 112.3 | D67 L68 S72 Q237 L240 K241 | D67-L70 HydrophobicContact CB-CD1 4.39Å; D67-L70 WeakPolarHBondContact O-CB 3.4Å; D67-L70 PolarHBondContact O-N 2.97Å; L68-L70 PolarHBondContact O-N 2.94Å; L68-L70 VanDerWaalsContact O-N 3.16Å; L70-S72 PolarHBondContact O-N 2.8Å; L70-Q237 HydrophobicContact CD2-CB 3.63Å; L70-Q237 HydrophobicContact CD2-CG 3.92Å; L70-Q237 WeakPolarHBondContact CD2-O 3.44Å; L70-L240 HydrophobicContact CD1-CB 4.07Å; L70-K241 PolarHBondContact O-NZ 3.43Å |
| 71 | R | 94.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | trans | -98 | 68.5 | -179.8 | -65.9 | 147.8 | 177.5 | 90.9 | 0.3 | 110.3 | A31 C32 D67 L68 V69 D73 I74 V75 | A31-R71 PolarHBondContact O-NE 2.78Å; A31-R71 PolarHBondContact O-NH2 3.43Å; C32-R71 VanDerWaalsContact O-CD 3.29Å; C32-R71 WeakPolarHBondContact O-CD 3.37Å; C32-R71 PolarHBondContact O-NE 2.93Å; C32-R71 VanDerWaalsContact O-NE 3.14Å; D67-R71 PolarHBondContact O-NH1 2.74Å; L68-R71 PolarHBondContact O-N 2.88Å; V69-R71 PolarHBondContact O-N 2.84Å; R71-D73 PolarHBondContact O-N 3.19Å; R71-I74 HydrophobicContact CB-CB 3.92Å; R71-I74 HydrophobicContact CB-CD1 3.7Å; R71-I74 HydrophobicContact CB-CG1 4.16Å; R71-I74 HydrophobicContact CG-CD1 4.01Å; R71-I74 WeakPolarHBondContact O-CB 3.4Å; R71-I74 PolarHBondContact O-N 3.31Å; R71-I74 VanDerWaalsContact O-N 3.12Å; R71-V75 PolarHBondContact O-N 2.99Å | ||
| 72 | S | 94.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.6 | -34 | -176.1 | -54.7 | 0 | 0 | 0 | 0 | 113.6 | L70 V75 F76 A226 D229 K241 | L70-S72 PolarHBondContact O-N 2.8Å; S72-V75 PolarHBondContact O-N 3.45Å; S72-F76 VanDerWaalsContact O-CB 3.31Å; S72-F76 WeakPolarHBondContact O-CB 3.37Å; S72-F76 PolarHBondContact O-N 2.97Å; S72-A226 WeakPolarHBondContact CB-O 3.42Å; S72-D229 PolarHBondContact OG-O 3.06Å; S72-K241 PolarHBondContact OG-NZ 3.06Å |
| 73 | D | 94.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 174.5 | 48.3 | -2.8 | 0 | 0 | 0 | 112.9 | V34 R71 V75 F76 L77 K227 | V34-D73 HydrophobicContact CG2-CB 4.23Å; R71-D73 PolarHBondContact O-N 3.19Å; D73-V75 VanDerWaalsContact C-N 3.34Å; D73-F76 PolarHBondContact O-N 3.26Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 PolarHBondContact O-N 2.91Å; D73-K227 HydrophobicContact CB-CB 3.99Å; D73-K227 HydrophobicContact CB-CG 4.49Å; D73-K227 WeakPolarHBondContact OD2-CD 3.37Å |
| 74 | I | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -50.5 | 170.1 | -78 | 168.2 | 0 | 0 | 0 | 110.3 | C32 V34 M37 L68 R71 F76 L77 L78 | C32-I74 WeakPolarHBondContact O-CD1 3.34Å; V34-I74 HydrophobicContact CG2-CG1 3.82Å; M37-I74 HydrophobicContact CB-CD1 4.3Å; M37-I74 HydrophobicContact CE-CB 4.22Å; M37-I74 HydrophobicContact CE-CG1 3.89Å; M37-I74 HydrophobicContact CE-CG2 3.81Å; M37-I74 HydrophobicContact SD-CB 4.22Å; M37-I74 HydrophobicContact SD-CD1 4.38Å; M37-I74 HydrophobicContact SD-CG1 4.05Å; M37-I74 HydrophobicContact SD-CG2 3.29Å; M37-I74 WeakPolarHBondContact SD-CG2 3.13Å; L68-I74 HydrophobicContact CD1-CG2 3.69Å; R71-I74 HydrophobicContact CB-CB 3.92Å; R71-I74 HydrophobicContact CB-CD1 3.7Å; R71-I74 HydrophobicContact CB-CG1 4.16Å; R71-I74 HydrophobicContact CG-CD1 4.01Å; R71-I74 WeakPolarHBondContact O-CB 3.4Å; R71-I74 PolarHBondContact O-N 3.31Å; R71-I74 VanDerWaalsContact O-N 3.12Å; I74-F76 VanDerWaalsContact C-N 3.26Å; I74-F76 PolarHBondContact O-N 3.21Å; I74-L77 PolarHBondContact O-N 2.81Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.28Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.2Å; I74-L78 PolarHBondContact O-N 3.04Å |
| 75 | V | 96.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -41.5 | -179.2 | 160.5 | 0 | 0 | 0 | 0 | 111 | L68 R71 S72 D73 R79 | L68-V75 HydrophobicContact CG-CG2 4.15Å; R71-V75 PolarHBondContact O-N 2.99Å; S72-V75 PolarHBondContact O-N 3.45Å; D73-V75 VanDerWaalsContact C-N 3.34Å; V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 3.42Å |
| 76 | F | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 23% | 0.232 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 174.9 | 173.2 | -92.4 | 0 | 0 | 0 | 112.2 | S72 D73 I74 L78 R79 R80 E222 L223 A226 | S72-F76 VanDerWaalsContact O-CB 3.31Å; S72-F76 WeakPolarHBondContact O-CB 3.37Å; S72-F76 PolarHBondContact O-N 2.97Å; D73-F76 PolarHBondContact O-N 3.26Å; I74-F76 VanDerWaalsContact C-N 3.26Å; I74-F76 PolarHBondContact O-N 3.21Å; F76-L78 PolarHBondContact O-N 3.36Å; F76-R79 PolarHBondContact O-N 3.13Å; F76-R80 PolarHBondContact O-N 3.31Å; F76-E222 HydrophobicContact CE1-CB 3.92Å; F76-E222 HydrophobicContact CZ-CB 3.71Å; F76-E222 HydrophobicContact CZ-CG 4.33Å; F76-L223 HydrophobicContact CD1-CD2 3.89Å; F76-L223 HydrophobicContact CE1-CD2 4.28Å; F76-A226 HydrophobicContact CB-CB 3.47Å; F76-A226 VanDerWaalsContact CB-CB 3.47Å; F76-A226 HydrophobicContact CD1-CB 4.06Å; F76-A226 HydrophobicContact CD2-CB 4.05Å; F76-A226 HydrophobicContact CG-CB 3.59Å |
| 77 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | -178.8 | -179.8 | 57.8 | 0 | 0 | 0 | 111.8 | V34 M37 V38 D73 I74 R79 R80 A81 L176 A179 L223 | V34-L77 HydrophobicContact CG1-CD2 3.63Å; M37-L77 HydrophobicContact CE-CD2 4.44Å; V38-L77 HydrophobicContact CG2-CD2 4.05Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 PolarHBondContact O-N 2.91Å; I74-L77 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact C-N 3.35Å; L77-R79 PolarHBondContact O-N 2.96Å; L77-R80 PolarHBondContact O-N 2.86Å; L77-A81 WeakPolarHBondContact O-CB 3.09Å; L77-A81 PolarHBondContact O-N 2.95Å; L77-L176 HydrophobicContact CD1-CD2 4.36Å; L77-L176 HydrophobicContact CD2-CD2 4.11Å; L77-L176 HydrophobicContact CG-CD2 3.9Å; L77-A179 HydrophobicContact CD1-CB 3.5Å; L77-A179 HydrophobicContact CD2-CB 4.04Å; L77-A179 HydrophobicContact CG-CB 4.44Å; L77-L223 HydrophobicContact CB-CD2 4.11Å |
| 78 | L | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.9 | -71 | 169.8 | 0 | 0 | 0 | 111.7 | M37 I74 F76 R80 A81 A82 L83 Q85 L88 | M37-L78 HydrophobicContact CE-CD2 4.33Å; M37-L78 HydrophobicContact CE-CG 4.33Å; M37-L78 HydrophobicContact SD-CD1 4.13Å; M37-L78 HydrophobicContact SD-CD2 4.11Å; M37-L78 HydrophobicContact SD-CG 4.19Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.28Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 VanDerWaalsContact O-CG 3.31Å; I74-L78 WeakPolarHBondContact O-CG 3.2Å; I74-L78 PolarHBondContact O-N 3.04Å; F76-L78 PolarHBondContact O-N 3.36Å; L78-R80 PolarHBondContact O-N 3.32Å; L78-A81 CarbonylContact O-C 3.53Å; L78-A81 PolarHBondContact O-N 2.94Å; L78-A82 PolarHBondContact O-N 2.85Å; L78-A82 VanDerWaalsContact O-N 3.14Å; L78-L83 HydrophobicContact CD2-CB 3.97Å; L78-L83 HydrophobicContact CD2-CD1 4.39Å; L78-L83 PolarHBondContact O-N 2.88Å; L78-Q85 HydrophobicContact CD1-CG 3.93Å; L78-L88 HydrophobicContact CD1-CD1 3.65Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å |
| 79 | R | 96.8 | Very high | 95.9 | Very high | 173 Ų | 173 | 36.2 Ų | 36.2 | 65% | 0.653 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -61.8 | -44 | 175 | -69.3 | 179.1 | -146 | 159.7 | 1 | 111.3 | V75 F76 L77 A81 A82 | V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 3.42Å; F76-R79 PolarHBondContact O-N 3.13Å; L77-R79 VanDerWaalsContact C-N 3.35Å; L77-R79 PolarHBondContact O-N 2.96Å; R79-A81 VanDerWaalsContact C-N 3.28Å; R79-A81 PolarHBondContact O-N 2.99Å; R79-A82 PolarHBondContact O-N 3.23Å |
| 80 | R | 96.3 | Very high | 96.1 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 36% | 0.358 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 178.8 | -166 | 178.7 | -178.2 | 92.8 | -10.7 | 112.2 | F76 L77 L78 A82 L175 E222 | F76-R80 PolarHBondContact O-N 3.31Å; L77-R80 PolarHBondContact O-N 2.86Å; L78-R80 PolarHBondContact O-N 3.32Å; R80-A82 PolarHBondContact O-N 3.24Å; R80-L175 HydrophobicContact CG-CD2 4.25Å; R80-E222 IonicContact CZ-OE2 3.36Å; R80-E222 IonicContact NE-OE2 3.61Å; R80-E222 IonicContact NH1-OE1 3.97Å; R80-E222 IonicContact NH1-OE2 2.8Å; R80-E222 PolarHBondContact NH1-OE2 3.43Å; R80-E222 IonicContact NH2-OE2 3.23Å; R80-E222 PolarHBondContact NH2-OE2 3.27Å |
| 81 | A | 96.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L77 L78 R79 L83 Q172 L175 L176 | L77-A81 WeakPolarHBondContact O-CB 3.09Å; L77-A81 PolarHBondContact O-N 2.95Å; L78-A81 CarbonylContact O-C 3.53Å; L78-A81 PolarHBondContact O-N 2.94Å; R79-A81 VanDerWaalsContact C-N 3.28Å; R79-A81 PolarHBondContact O-N 2.99Å; A81-L83 HydrophobicContact CB-CD1 4.17Å; A81-L83 HydrophobicContact CB-CG 4.29Å; A81-L83 PolarHBondContact O-N 3.42Å; A81-Q172 HydrophobicContact CB-CG 4.38Å; A81-Q172 PolarHBondContact O-NE2 3.15Å; A81-L175 HydrophobicContact CB-CD2 4.27Å; A81-L176 HydrophobicContact CB-CD2 3.76Å; A81-L176 HydrophobicContact CB-CG 4.22Å |
| 82 | A | 96.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 39 Ų | 39 | 56% | 0.562 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L78 R79 R80 | L78-A82 PolarHBondContact O-N 2.85Å; L78-A82 VanDerWaalsContact O-N 3.14Å; R79-A82 PolarHBondContact O-N 3.23Å; R80-A82 PolarHBondContact O-N 3.24Å |
| 83 | L | 96.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -103.3 | 114.9 | 177.8 | -76.5 | 174 | 0 | 0 | 0 | 111 | M1 E2 L5 M41 L78 A81 Q85 Q172 L176 | M1-L83 HydrophobicContact CB-CD1 4.5Å; M1-L83 HydrophobicContact CB-CD2 4.26Å; M1-L83 HydrophobicContact CG-CD1 4.06Å; M1-L83 HydrophobicContact CG-CD2 4.13Å; E2-L83 HydrophobicContact CB-CD2 3.91Å; E2-L83 HydrophobicContact CG-CD2 4.46Å; L5-L83 HydrophobicContact CD1-CD2 4.34Å; M41-L83 HydrophobicContact CE-CD1 3.86Å; L78-L83 HydrophobicContact CD2-CB 3.97Å; L78-L83 HydrophobicContact CD2-CD1 4.39Å; L78-L83 PolarHBondContact O-N 2.88Å; A81-L83 HydrophobicContact CB-CD1 4.17Å; A81-L83 HydrophobicContact CB-CG 4.29Å; A81-L83 PolarHBondContact O-N 3.42Å; L83-Q85 PolarHBondContact O-N 3.39Å; L83-Q172 HydrophobicContact CD1-CG 4.27Å; L83-Q172 HydrophobicContact CG-CG 4.3Å; L83-L176 HydrophobicContact CD1-CD1 3.67Å; L83-L176 HydrophobicContact CD1-CD2 4.38Å; L83-L176 HydrophobicContact CD1-CG 4.5Å | ||
| 84 | P | 95.9 | Very high | 96.1 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -67.3 | 125.6 | 177.4 | -19 | 30.3 | 0 | 0 | 0 | 112.2 | H86 L87 | P84-H86 WeakPolarHBondContact CB-CE1 3.45Å; P84-H86 WeakPolarHBondContact CB-ND1 3.39Å; P84-H86 PolarHBondContact O-N 3.22Å; P84-H86 VanDerWaalsContact O-N 3.16Å; P84-L87 HydrophobicContact CB-CD1 4.33Å; P84-L87 HydrophobicContact CB-CG 4.25Å; P84-L87 HydrophobicContact CG-CD1 4.13Å; P84-L87 WeakPolarHBondContact O-CB 3.38Å; P84-L87 PolarHBondContact O-N 3.41Å | ||
| 85 | Q | 94.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -56.7 | -33.2 | -178.5 | -64.1 | 172.2 | 18 | 0 | 0 | 113.6 | L68 L78 L83 L87 L88 | L68-Q85 HydrophobicContact CD2-CB 3.86Å; L68-Q85 HydrophobicContact CD2-CG 3.99Å; L78-Q85 HydrophobicContact CD1-CG 3.93Å; L83-Q85 PolarHBondContact O-N 3.39Å; Q85-L87 PolarHBondContact O-N 2.95Å; Q85-L87 VanDerWaalsContact O-N 3.12Å; Q85-L88 WeakPolarHBondContact O-CB 3.35Å; Q85-L88 PolarHBondContact O-N 3.06Å; Q85-L88 VanDerWaalsContact O-N 3.12Å |
| 86 | H | 94.2 | Very high | 95.9 | Very high | 117 Ų | 117 | 44.4 Ų | 44.4 | 54% | 0.542 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -65.9 | -12.9 | -179.9 | 68.7 | -96.9 | 0 | 0 | 0 | 113.3 | R9 P84 | R9-H86 VanDerWaalsContact CZ-O 3.25Å; R9-H86 PolarHBondContact NE-O 3.29Å; R9-H86 PolarHBondContact NH2-O 2.85Å; P84-H86 WeakPolarHBondContact CB-CE1 3.45Å; P84-H86 WeakPolarHBondContact CB-ND1 3.39Å; P84-H86 PolarHBondContact O-N 3.22Å; P84-H86 VanDerWaalsContact O-N 3.16Å |
| 87 | L | 95.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -81.4 | -17.7 | 175.3 | -61.3 | -179.2 | 0 | 0 | 0 | 113.3 | E2 L5 R6 R9 P84 Q85 | E2-L87 HydrophobicContact CG-CD1 3.54Å; L5-L87 HydrophobicContact CB-CB 3.87Å; L5-L87 HydrophobicContact CD1-CB 4.35Å; R6-L87 HydrophobicContact CB-CD2 4.26Å; R9-L87 WeakPolarHBondContact CG-O 3.4Å; P84-L87 HydrophobicContact CB-CD1 4.33Å; P84-L87 HydrophobicContact CB-CG 4.25Å; P84-L87 HydrophobicContact CG-CD1 4.13Å; P84-L87 WeakPolarHBondContact O-CB 3.38Å; P84-L87 PolarHBondContact O-N 3.41Å; Q85-L87 PolarHBondContact O-N 2.95Å; Q85-L87 VanDerWaalsContact O-N 3.12Å |
| 88 | L | 97 | Very high | 95.5 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -70.5 | 146.4 | 177.6 | -59.7 | -179.2 | 0 | 0 | 0 | 111.4 | L5 R9 M37 M41 M61 L78 Q85 F90 | L5-L88 HydrophobicContact CD1-CD2 4.19Å; R9-L88 PolarHBondContact NE-O 3.29Å; R9-L88 PolarHBondContact NH2-O 3.49Å; M37-L88 HydrophobicContact SD-CD1 4.41Å; M41-L88 HydrophobicContact CE-CD2 4.04Å; M41-L88 HydrophobicContact CG-CD2 4.43Å; M41-L88 HydrophobicContact SD-CD2 3.63Å; M61-L88 HydrophobicContact CG-CB 4.28Å; M61-L88 HydrophobicContact CG-CD1 4.41Å; L78-L88 HydrophobicContact CD1-CD1 3.65Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å; Q85-L88 WeakPolarHBondContact O-CB 3.35Å; Q85-L88 PolarHBondContact O-N 3.06Å; Q85-L88 VanDerWaalsContact O-N 3.12Å; L88-F90 HydrophobicContact CB-CE2 3.76Å; L88-F90 HydrophobicContact CB-CZ 3.74Å; L88-F90 HydrophobicContact CD1-CZ 4.23Å; L88-F90 WeakPolarHBondContact O-CE2 3.39Å |
| 89 | L | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.1 | 172.1 | -74.7 | 170.7 | 0 | 0 | 0 | 110.2 | C8 L12 L58 L60 M61 | C8-L89 HydrophobicContact CB-CD1 4.38Å; L12-L89 HydrophobicContact CD2-CD1 4.27Å; L12-L89 HydrophobicContact CD2-CD2 3.48Å; L12-L89 VanDerWaalsContact CD2-CD2 3.48Å; L58-L89 HydrophobicContact CB-CD1 4.21Å; L58-L89 HydrophobicContact CD1-CD1 4.2Å; L58-L89 HydrophobicContact CD2-CD1 3.86Å; L58-L89 HydrophobicContact CG-CD1 4.33Å; L60-L89 HydrophobicContact CD1-CB 4.04Å; M61-L89 WeakPolarHBondContact CB-O 3.21Å; M61-L89 WeakPolarHBondContact CG-O 3.37Å; M61-L89 PolarHBondContact N-O 2.94Å |
| 90 | F | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 158.6 | -175.3 | -64.7 | -84.1 | 0 | 0 | 0 | 111.6 | L60 M61 I63 Q65 L68 L88 D92 Q93 | L60-F90 WeakPolarHBondContact CD1-O 3.47Å; M61-F90 HydrophobicContact CB-CD1 3.78Å; M61-F90 HydrophobicContact CB-CE1 3.97Å; M61-F90 HydrophobicContact CG-CD1 4.33Å; M61-F90 HydrophobicContact CG-CE1 4.12Å; I63-F90 HydrophobicContact CD1-CE1 4.41Å; I63-F90 HydrophobicContact CG1-CD1 4.01Å; I63-F90 HydrophobicContact CG1-CE1 4.36Å; I63-F90 WeakPolarHBondContact O-CB 3.41Å; Q65-F90 HydrophobicContact CB-CB 4.05Å; Q65-F90 HydrophobicContact CB-CD1 4.32Å; Q65-F90 HydrophobicContact CB-CD2 3.64Å; Q65-F90 HydrophobicContact CB-CE2 4.2Å; Q65-F90 HydrophobicContact CB-CG 3.72Å; Q65-F90 HydrophobicContact CG-CD2 3.72Å; Q65-F90 HydrophobicContact CG-CE2 3.8Å; Q65-F90 HydrophobicContact CG-CG 4.25Å; Q65-F90 HydrophobicContact CG-CZ 4.4Å; L68-F90 HydrophobicContact CB-CE1 4.06Å; L68-F90 HydrophobicContact CB-CZ 4.28Å; L68-F90 HydrophobicContact CD1-CE1 4.16Å; L68-F90 HydrophobicContact CD1-CZ 4.33Å; L68-F90 HydrophobicContact CD2-CE1 4.4Å; L68-F90 HydrophobicContact CD2-CZ 3.87Å; L68-F90 HydrophobicContact CG-CE1 4.43Å; L68-F90 HydrophobicContact CG-CZ 4.38Å; L88-F90 HydrophobicContact CB-CE2 3.76Å; L88-F90 HydrophobicContact CB-CZ 3.74Å; L88-F90 HydrophobicContact CD1-CZ 4.23Å; L88-F90 WeakPolarHBondContact O-CE2 3.39Å; F90-D92 WeakPolarHBondContact CB-OD1 3.46Å; F90-D92 PolarHBondContact O-N 3.41Å; F90-Q93 HydrophobicContact CB-CG 4.2Å; F90-Q93 WeakPolarHBondContact O-CB 3.46Å; F90-Q93 PolarHBondContact O-N 3.04Å |
| 91 | R | 95.2 | Very high | 95.1 | Very high | 43 Ų | 43 | 49 Ų | 49 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -59.3 | -32.1 | -173.1 | -173.8 | 61.1 | -169.1 | -130.5 | 1.9 | 113.6 | M61 N62 I63 Q93 L96 D119 | M61-R91 PolarHBondContact O-N 2.92Å; N62-R91 WeakPolarHBondContact OD1-CD 3.39Å; N62-R91 PolarHBondContact OD1-NH1 2.87Å; I63-R91 WeakPolarHBondContact O-CB 3.29Å; I63-R91 PolarHBondContact O-N 2.93Å; R91-Q93 PolarHBondContact O-N 3.01Å; R91-L96 VanDerWaalsContact CZ-CD1 3.43Å; R91-L96 VanDerWaalsContact NH1-CD1 3.33Å; R91-D119 IonicContact CZ-OD1 2.68Å; R91-D119 IonicContact CZ-OD2 2.65Å; R91-D119 IonicContact NH1-OD2 3.17Å; R91-D119 PolarHBondContact NH1-OD2 3.11Å; R91-D119 IonicContact NH2-OD1 3.47Å; R91-D119 PolarHBondContact NH2-OD1 3Å; R91-D119 IonicContact NH2-OD2 3.3Å; R91-D119 PolarHBondContact NH2-OD2 2.59Å |
| 92 | D | 94.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -78.2 | -1.1 | 177.1 | 58.4 | -29.8 | 0 | 0 | 0 | 114.2 | R64 Q65 F90 | R64-D92 WeakPolarHBondContact CA-OD1 3.41Å; R64-D92 HydrophobicContact CB-CB 4.42Å; R64-D92 HydrophobicContact CG-CB 4.18Å; Q65-D92 PolarHBondContact N-OD1 3.44Å; Q65-D92 PolarHBondContact N-OD2 3.31Å; F90-D92 WeakPolarHBondContact CB-OD1 3.46Å; F90-D92 PolarHBondContact O-N 3.41Å |
| 93 | Q | 94.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 51 Ų | 51 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -109.3 | -4.3 | -177.4 | -56.1 | -178.3 | -24.8 | 0 | 0 | 113.2 | F90 R91 | F90-Q93 HydrophobicContact CB-CG 4.2Å; F90-Q93 WeakPolarHBondContact O-CB 3.46Å; F90-Q93 PolarHBondContact O-N 3.04Å; R91-Q93 PolarHBondContact O-N 3.01Å |
| 94 | L | 92.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | trans | -141.3 | 117.9 | -178.2 | -171.1 | 65.1 | 0 | 0 | 0 | 111.1 | L12 V25 L58 L60 L96 L99 | L12-L94 HydrophobicContact CD1-CD1 3.52Å; L12-L94 HydrophobicContact CD2-CD1 4.37Å; V25-L94 HydrophobicContact CG2-CD2 3.81Å; L58-L94 HydrophobicContact CD1-CD2 4.11Å; L60-L94 HydrophobicContact CD1-CB 4.22Å; L60-L94 HydrophobicContact CD1-CD2 4.44Å; L60-L94 HydrophobicContact CD2-CD2 4.36Å; L94-L96 HydrophobicContact CD2-CD2 3.72Å; L94-L96 HydrophobicContact CG-CD2 4.04Å; L94-L96 PolarHBondContact O-N 3.03Å; L94-L96 VanDerWaalsContact O-N 3.13Å; L94-L99 HydrophobicContact CD1-CD1 3.9Å; L94-L99 HydrophobicContact CD2-CD1 4.2Å; L94-L99 HydrophobicContact CG-CD1 4.07Å | ||
| 95 | D | 93.2 | Very high | 94.4 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | trans | -82.2 | 91.6 | 174.7 | -173.3 | -11.8 | 0 | 0 | 0 | 110.8 | R97 A98 L99 | D95-R97 VanDerWaalsContact C-N 3.25Å; D95-R97 PolarHBondContact O-N 2.69Å; D95-R97 WeakPolarHBondContact OD1-CA 3.27Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.26Å; D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 VanDerWaalsContact CG-CB 3.42Å; D95-A98 PolarHBondContact O-N 3.14Å; D95-A98 PolarHBondContact OD1-N 2.85Å; D95-A98 WeakPolarHBondContact OD2-CB 3.05Å; D95-L99 PolarHBondContact O-N 3.03Å; D95-L99 VanDerWaalsContact O-N 3.16Å | ||
| 96 | L | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 176.1 | -60.9 | -170.9 | 0 | 0 | 0 | 112.3 | V25 L27 L60 R91 L94 L99 W100 L105 L107 L122 | V25-L96 HydrophobicContact CG1-CD2 4.48Å; V25-L96 HydrophobicContact CG2-CD2 3.93Å; L27-L96 HydrophobicContact CD2-CD1 4.47Å; L60-L96 HydrophobicContact CD2-CD1 4.05Å; L60-L96 HydrophobicContact CD2-CD2 3.96Å; L60-L96 HydrophobicContact CD2-CG 4.2Å; R91-L96 VanDerWaalsContact CZ-CD1 3.43Å; R91-L96 VanDerWaalsContact NH1-CD1 3.33Å; L94-L96 HydrophobicContact CD2-CD2 3.72Å; L94-L96 HydrophobicContact CG-CD2 4.04Å; L94-L96 PolarHBondContact O-N 3.03Å; L94-L96 VanDerWaalsContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 3.16Å; L96-W100 WeakPolarHBondContact O-CB 3.43Å; L96-W100 PolarHBondContact O-N 3.16Å; L96-L105 HydrophobicContact CB-CD2 4.13Å; L96-L105 HydrophobicContact CD2-CD1 4.07Å; L96-L105 WeakPolarHBondContact O-CD2 2.87Å; L96-L107 HydrophobicContact CD1-CD2 4.44Å; L96-L122 HydrophobicContact CB-CD1 3.81Å; L96-L122 HydrophobicContact CD1-CD1 4.1Å |
| 97 | R | 95.1 | Very high | 94.6 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.8 | -34.7 | -179.7 | -69.2 | -174.9 | -177.6 | 76.9 | 11.5 | 111.7 | D95 R101 S118 D119 D121 L122 | D95-R97 VanDerWaalsContact C-N 3.25Å; D95-R97 PolarHBondContact O-N 2.69Å; D95-R97 WeakPolarHBondContact OD1-CA 3.27Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.26Å; R97-R101 WeakPolarHBondContact O-CB 3.26Å; R97-R101 VanDerWaalsContact O-CG 3.27Å; R97-R101 WeakPolarHBondContact O-CG 3.47Å; R97-R101 PolarHBondContact O-N 2.95Å; R97-R101 PolarHBondContact O-NE 3.27Å; R97-S118 PolarHBondContact NH2-O 3.27Å; R97-D119 IonicContact CZ-OD1 3.83Å; R97-D119 IonicContact NH1-OD1 2.75Å; R97-D119 IonicContact NH2-OD1 3.5Å; R97-D119 PolarHBondContact NH2-OD1 3.07Å; R97-D121 WeakPolarHBondContact CD-OD2 3.13Å; R97-D121 IonicContact CZ-OD1 3.17Å; R97-D121 IonicContact NE-OD1 3.83Å; R97-D121 PolarHBondContact NE-OD1 3.41Å; R97-D121 IonicContact NE-OD2 2.65Å; R97-D121 PolarHBondContact NE-OD2 3.17Å; R97-D121 VanDerWaalsContact NE-OD2 3.17Å; R97-D121 IonicContact NH2-OD1 3.63Å; R97-D121 PolarHBondContact NH2-OD1 3.47Å; R97-L122 HydrophobicContact CG-CD2 4.02Å |
| 98 | A | 93.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 47 Ų | 47 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -45 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D95 W100 R101 A102 | D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 VanDerWaalsContact CG-CB 3.42Å; D95-A98 PolarHBondContact O-N 3.14Å; D95-A98 PolarHBondContact OD1-N 2.85Å; D95-A98 WeakPolarHBondContact OD2-CB 3.05Å; A98-W100 VanDerWaalsContact C-N 3.33Å; A98-W100 PolarHBondContact O-N 2.87Å; A98-R101 PolarHBondContact O-N 3.12Å; A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 2.98Å |
| 99 | L | 93.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.2 | -68.8 | 174.3 | 0 | 0 | 0 | 112 | V23 L94 D95 L96 A102 G103 R104 L105 | V23-L99 HydrophobicContact CB-CD1 4.11Å; V23-L99 HydrophobicContact CG1-CD1 4.12Å; V23-L99 HydrophobicContact CG2-CD1 4.28Å; V23-L99 HydrophobicContact CG2-CD2 3.99Å; L94-L99 HydrophobicContact CD1-CD1 3.9Å; L94-L99 HydrophobicContact CD2-CD1 4.2Å; L94-L99 HydrophobicContact CG-CD1 4.07Å; D95-L99 PolarHBondContact O-N 3.03Å; D95-L99 VanDerWaalsContact O-N 3.16Å; L96-L99 PolarHBondContact O-N 3.16Å; L99-A102 PolarHBondContact O-N 3.18Å; L99-G103 PolarHBondContact O-N 2.65Å; L99-R104 PolarHBondContact O-N 3.34Å; L99-L105 HydrophobicContact CB-CB 3.92Å; L99-L105 HydrophobicContact CB-CD1 4.24Å; L99-L105 HydrophobicContact CD1-CD1 4.18Å; L99-L105 PolarHBondContact O-N 3.46Å |
| 100 | W | 94.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 177.9 | 179.8 | -134.7 | 0 | 0 | 0 | 112.4 | L96 A98 A102 G103 L105 D121 L122 G124 A125 | L96-W100 WeakPolarHBondContact O-CB 3.43Å; L96-W100 PolarHBondContact O-N 3.16Å; A98-W100 VanDerWaalsContact C-N 3.33Å; A98-W100 PolarHBondContact O-N 2.87Å; W100-A102 PolarHBondContact O-N 3Å; W100-G103 WeakPolarHBondContact O-CA 3.47Å; W100-G103 PolarHBondContact O-N 3.31Å; W100-L105 HydrophobicContact CB-CB 4.22Å; W100-L105 HydrophobicContact CB-CD2 3.97Å; W100-L105 HydrophobicContact CE3-CB 4.34Å; W100-D121 PolarHBondContact NE1-O 3.08Å; W100-D121 VanDerWaalsContact NE1-O 3.09Å; W100-L122 HydrophobicContact CB-CD2 3.69Å; W100-L122 HydrophobicContact CG-CD2 3.89Å; W100-G124 VanDerWaalsContact CH2-C 3.46Å; W100-G124 WeakPolarHBondContact CH2-O 3.45Å; W100-A125 HydrophobicContact CD2-CB 4.09Å; W100-A125 HydrophobicContact CE3-CB 3.62Å; W100-A125 HydrophobicContact CH2-CB 4.34Å; W100-A125 HydrophobicContact CZ3-CB 3.76Å |
| 101 | R | 94.2 | Very high | 94.8 | Very high | 188 Ų | 188 | 46.7 Ų | 46.7 | 71% | 0.709 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.1 | -29.7 | 174.6 | -74.5 | -178.8 | -66.5 | 128.4 | -5.7 | 112.8 | R97 A98 G103 | R97-R101 WeakPolarHBondContact O-CB 3.26Å; R97-R101 VanDerWaalsContact O-CG 3.27Å; R97-R101 WeakPolarHBondContact O-CG 3.47Å; R97-R101 PolarHBondContact O-N 2.95Å; R97-R101 PolarHBondContact O-NE 3.27Å; A98-R101 PolarHBondContact O-N 3.12Å; R101-G103 VanDerWaalsContact C-N 3.25Å; R101-G103 PolarHBondContact O-N 3.12Å |
| 102 | A | 91.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 50% | 0.496 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A98 L99 W100 R104 | A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 2.98Å; L99-A102 PolarHBondContact O-N 3.18Å; W100-A102 PolarHBondContact O-N 3Å; A102-R104 VanDerWaalsContact C-N 3.28Å; A102-R104 HydrophobicContact CB-CG 4.34Å; A102-R104 PolarHBondContact O-N 3.22Å |
| 103 | G | 92.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 60% | 0.598 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L99 W100 R101 | L99-G103 PolarHBondContact O-N 2.65Å; W100-G103 WeakPolarHBondContact O-CA 3.47Å; W100-G103 PolarHBondContact O-N 3.31Å; R101-G103 VanDerWaalsContact C-N 3.25Å; R101-G103 PolarHBondContact O-N 3.12Å |
| 104 | R | 91.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | trans | -113 | 0.8 | -170.8 | -70.3 | 170.5 | 60.3 | -154 | -6 | 113.8 | R18 G20 P21 V23 L99 A102 | R18-R104 PolarHBondContact O-NH1 3.33Å; G20-R104 VanDerWaalsContact CA-NH2 3.31Å; G20-R104 VanDerWaalsContact O-CZ 3.28Å; G20-R104 PolarHBondContact O-NE 3.05Å; G20-R104 PolarHBondContact O-NH2 3.15Å; P21-R104 PolarHBondContact O-NE 3.46Å; P21-R104 PolarHBondContact O-NH2 2.99Å; V23-R104 PolarHBondContact N-O 3.45Å; L99-R104 PolarHBondContact O-N 3.34Å; A102-R104 VanDerWaalsContact C-N 3.28Å; A102-R104 HydrophobicContact CB-CG 4.34Å; A102-R104 PolarHBondContact O-N 3.22Å | ||
| 105 | L | 94.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.8 | -176 | -175.4 | 66.5 | 0 | 0 | 0 | 111.6 | V25 L96 L99 W100 L107 L122 A125 | V25-L105 HydrophobicContact CB-CD1 4.45Å; V25-L105 HydrophobicContact CG2-CD1 3.95Å; L96-L105 HydrophobicContact CB-CD2 4.13Å; L96-L105 HydrophobicContact CD2-CD1 4.07Å; L96-L105 WeakPolarHBondContact O-CD2 2.87Å; L99-L105 HydrophobicContact CB-CB 3.92Å; L99-L105 HydrophobicContact CB-CD1 4.24Å; L99-L105 HydrophobicContact CD1-CD1 4.18Å; L99-L105 PolarHBondContact O-N 3.46Å; W100-L105 HydrophobicContact CB-CB 4.22Å; W100-L105 HydrophobicContact CB-CD2 3.97Å; W100-L105 HydrophobicContact CE3-CB 4.34Å; L105-L107 HydrophobicContact CD1-CD2 3.8Å; L105-L107 HydrophobicContact CD1-CG 4.43Å; L105-L107 HydrophobicContact CD2-CD1 4.17Å; L105-L107 HydrophobicContact CD2-CD2 3.97Å; L105-L107 HydrophobicContact CD2-CG 3.97Å; L105-L107 HydrophobicContact CG-CD2 3.99Å; L105-L107 HydrophobicContact CG-CG 4.07Å; L105-L122 HydrophobicContact CD2-CD2 4.16Å; L105-A125 HydrophobicContact CB-CB 4.39Å; L105-A125 HydrophobicContact CD2-CB 3.95Å; L105-A125 HydrophobicContact CG-CB 4.06Å |
| 106 | R | 95.7 | Very high | 94.6 | Very high | 106 Ų | 106 | 39.2 Ų | 39.2 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.8 | 161.3 | -62.5 | 178.7 | 65.7 | -165.6 | -1.5 | 109.2 | V23 H24 V25 A125 V127 | V23-R106 PolarHBondContact O-N 3.41Å; H24-R106 CarbonylContact C-O 3.55Å; H24-R106 WeakPolarHBondContact CA-O 3.27Å; H24-R106 HydrophobicContact CB-CB 4.32Å; V25-R106 PolarHBondContact N-O 2.68Å; R106-A125 CarbonylContact C-O 3.54Å; R106-A125 WeakPolarHBondContact CA-O 3.37Å; R106-V127 HydrophobicContact CB-CG1 4.24Å; R106-V127 HydrophobicContact CB-CG2 4.09Å; R106-V127 HydrophobicContact CG-CG1 4.28Å |
| 107 | L | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.4 | -179.6 | -63.4 | -179 | 0 | 0 | 0 | 111 | V25 L96 L105 L109 L115 L122 A125 V126 V127 | V25-L107 HydrophobicContact CB-CD2 3.77Å; V25-L107 HydrophobicContact CG1-CD2 4.25Å; V25-L107 CarbonylContact O-C 3.58Å; V25-L107 WeakPolarHBondContact O-CA 3.44Å; L96-L107 HydrophobicContact CD1-CD2 4.44Å; L105-L107 HydrophobicContact CD1-CD2 3.8Å; L105-L107 HydrophobicContact CD1-CG 4.43Å; L105-L107 HydrophobicContact CD2-CD1 4.17Å; L105-L107 HydrophobicContact CD2-CD2 3.97Å; L105-L107 HydrophobicContact CD2-CG 3.97Å; L105-L107 HydrophobicContact CG-CD2 3.99Å; L105-L107 HydrophobicContact CG-CG 4.07Å; L107-L109 HydrophobicContact CB-CD2 4.42Å; L107-L115 HydrophobicContact CD1-CD1 4.42Å; L107-L122 HydrophobicContact CD1-CB 4.01Å; L107-A125 HydrophobicContact CD1-CB 4.17Å; L107-A125 HydrophobicContact CG-CB 4.05Å; L107-A125 PolarHBondContact N-O 3.3Å; L107-V126 HydrophobicContact CB-CG2 4.13Å; L107-V126 HydrophobicContact CD1-CG2 4.3Å; L107-V126 CarbonylContact O-C 3.57Å; L107-V126 WeakPolarHBondContact O-CA 3.44Å; L107-V127 WeakPolarHBondContact O-CG2 3.47Å; L107-V127 PolarHBondContact O-N 2.94Å |
| 108 | S | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.6 | 158.6 | -69.8 | 0 | 0 | 0 | 0 | 108.8 | H24 V25 V26 L27 E128 | H24-S108 PolarHBondContact CE1-OG 3.01Å; H24-S108 PolarHBondContact NE2-OG 3.33Å; V25-S108 PolarHBondContact O-N 2.93Å; V26-S108 WeakPolarHBondContact CA-O 3.49Å; L27-S108 PolarHBondContact N-O 3.47Å; S108-E128 CarbonylContact C-O 3.4Å; S108-E128 VanDerWaalsContact CA-O 3.25Å; S108-E128 WeakPolarHBondContact CA-O 3.4Å |
| 109 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.3 | 175.2 | -48.1 | -176.9 | 0 | 0 | 0 | 109 | L27 L107 H112 L115 V126 E128 V129 L130 | L27-L109 HydrophobicContact CB-CD2 4.41Å; L107-L109 HydrophobicContact CB-CD2 4.42Å; L109-H112 WeakPolarHBondContact CB-O 3.46Å; L109-L115 HydrophobicContact CD1-CD2 4.35Å; L109-L115 HydrophobicContact CD1-CG 4.15Å; L109-L115 HydrophobicContact CD2-CD2 3.81Å; L109-L115 HydrophobicContact CD2-CG 4.39Å; L109-V126 HydrophobicContact CD1-CG1 4.02Å; L109-V126 HydrophobicContact CD1-CG2 4.16Å; L109-V126 HydrophobicContact CD2-CG2 4.34Å; L109-V126 HydrophobicContact CG-CG1 3.85Å; L109-V126 HydrophobicContact CG-CG2 4.3Å; L109-E128 PolarHBondContact N-O 3.01Å; L109-V129 HydrophobicContact CB-CG2 4.13Å; L109-V129 HydrophobicContact CD1-CG2 4.21Å; L109-V129 HydrophobicContact CG-CG2 4.28Å; L109-V129 WeakPolarHBondContact O-CA 3.48Å; L109-L130 PolarHBondContact O-N 3.32Å |
| 110 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.9 | 171.6 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | V26 L27 G28 A40 F43 H112 L130 | V26-V110 HydrophobicContact CG1-CG1 3.81Å; V26-V110 HydrophobicContact CG1-CG2 4.05Å; L27-V110 PolarHBondContact O-N 3.1Å; G28-V110 WeakPolarHBondContact CA-O 3.39Å; A40-V110 HydrophobicContact CB-CG2 3.87Å; F43-V110 HydrophobicContact CB-CG1 4.27Å; F43-V110 HydrophobicContact CD1-CG1 4.06Å; F43-V110 HydrophobicContact CG-CG1 4.3Å; V110-H112 PolarHBondContact O-N 3.06Å; V110-H112 PolarHBondContact O-ND1 3.31Å; V110-L130 CarbonylContact C-O 3.5Å; V110-L130 WeakPolarHBondContact CA-O 3.35Å; V110-L130 HydrophobicContact CG1-CB 4.42Å |
| 111 | D | 96.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 60.4 | 20 | 176.1 | -167.7 | 41.2 | 0 | 0 | 0 | 114.4 | N29 S36 L130 D131 H132 H133 C153 | N29-D111 PolarHBondContact ND2-O 3.13Å; N29-D111 VanDerWaalsContact ND2-O 3.17Å; N29-D111 PolarHBondContact ND2-OD2 2.92Å; S36-D111 WeakPolarHBondContact CB-OD2 3.43Å; S36-D111 PolarHBondContact N-OD2 3.23Å; S36-D111 WeakPolarHBondContact OG-CB 3.44Å; S36-D111 PolarHBondContact OG-OD2 2.97Å; D111-L130 PolarHBondContact N-O 3.35Å; D111-D131 VanDerWaalsContact C-OD1 3.27Å; D111-H132 IonicContact OD1-CD2 3.91Å; D111-H132 PolarHBondContact OD1-CD2 3.02Å; D111-H132 IonicContact OD1-NE2 3.65Å; D111-H132 PolarHBondContact OD1-NE2 3.43Å; D111-H133 IonicContact OD1-CE1 3.61Å; D111-H133 PolarHBondContact OD1-CE1 3.01Å; D111-H133 IonicContact OD1-ND1 2.8Å; D111-C153 HydrophobicContact CB-CB 3.8Å; D111-C153 PolarHBondContact N-SG 3.09Å |
| 112 | H | 94.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.069 | 23% | 0.23 | C | C | . | . | trans | -167.6 | 155.6 | 165 | 62.9 | -64.7 | 0 | 0 | 0 | 109.1 | L27 G28 N29 L109 V110 V114 D131 | L27-H112 PolarHBondContact O-CE1 2.78Å; L27-H112 VanDerWaalsContact O-CE1 3.22Å; G28-H112 PolarHBondContact O-CE1 2.97Å; G28-H112 VanDerWaalsContact O-CE1 3.27Å; N29-H112 HydrophobicContact CB-CB 4.01Å; N29-H112 PolarHBondContact N-ND1 2.82Å; L109-H112 WeakPolarHBondContact CB-O 3.46Å; V110-H112 PolarHBondContact O-N 3.06Å; V110-H112 PolarHBondContact O-ND1 3.31Å; H112-V114 PolarHBondContact CD2-O 3.02Å; H112-D131 VanDerWaalsContact C-CG 3.46Å; H112-D131 VanDerWaalsContact CA-OD2 3.29Å; H112-D131 WeakPolarHBondContact CA-OD2 3.48Å; H112-D131 PolarHBondContact N-OD1 3.27Å | ||
| 113 | N | 93.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -114.3 | -9.7 | -178.5 | 65.1 | 91.4 | 0 | 0 | 0 | 115 | V129 D131 Q134 E136 R137 V147 | N113-V129 HydrophobicContact CB-CG1 3.7Å; N113-D131 HydrophobicContact CB-CB 4.16Å; N113-D131 WeakPolarHBondContact CB-OD2 3.27Å; N113-D131 PolarHBondContact N-OD2 2.9Å; N113-D131 PolarHBondContact ND2-OD2 3.13Å; N113-Q134 PolarHBondContact ND2-O 3.38Å; N113-E136 PolarHBondContact OD1-N 2.74Å; N113-R137 HydrophobicContact CB-CB 4.39Å; N113-R137 WeakPolarHBondContact O-CB 3.16Å; N113-R137 PolarHBondContact O-NE 2.7Å; N113-R137 PolarHBondContact OD1-N 2.84Å; N113-V147 HydrophobicContact CB-CG2 4.32Å |
| 114 | V | 92.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -131.8 | 130.4 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | H112 E136 R137 | H112-V114 PolarHBondContact CD2-O 3.02Å; V114-E136 HydrophobicContact CG2-CB 3.77Å; V114-R137 HydrophobicContact CG2-CB 4.15Å |
| 115 | L | 93.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | trans | -65.3 | 144 | 173.6 | -73.2 | 168.9 | 0 | 0 | 0 | 110.7 | L27 L107 L109 D119 L122 V126 | L27-L115 HydrophobicContact CD2-CD2 4.24Å; L107-L115 HydrophobicContact CD1-CD1 4.42Å; L109-L115 HydrophobicContact CD1-CD2 4.35Å; L109-L115 HydrophobicContact CD1-CG 4.15Å; L109-L115 HydrophobicContact CD2-CD2 3.81Å; L109-L115 HydrophobicContact CD2-CG 4.39Å; L115-D119 HydrophobicContact CB-CB 4.21Å; L115-D119 HydrophobicContact CD2-CB 4.29Å; L115-L122 HydrophobicContact CD1-CB 4.01Å; L115-V126 HydrophobicContact CD1-CG2 3.88Å; L115-V126 HydrophobicContact CG-CG2 4.48Å | ||
| 116 | P | 90.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | trans | -61 | 157.3 | 173.7 | 27.4 | -34.8 | 0 | 0 | 0 | 110.4 | S118 D119 A120 | P116-S118 PolarHBondContact O-N 3.34Å; P116-D119 HydrophobicContact CG-CB 4.27Å; P116-D119 CarbonylContact O-C 3.54Å; P116-D119 WeakPolarHBondContact O-CA 3.33Å; P116-D119 PolarHBondContact O-N 3.25Å; P116-A120 PolarHBondContact O-N 2.96Å | ||
| 117 | S | 89.7 | Confident | 94.6 | Very high | 118 Ų | 118 | 31 Ų | 31 | 83% | 0.825 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -55.5 | -31.5 | -176.6 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | D119 A120 | S117-D119 PolarHBondContact O-N 3.05Å; S117-A120 WeakPolarHBondContact O-CB 3.45Å; S117-A120 PolarHBondContact O-N 3.22Å |
| 118 | S | 89.8 | Confident | 94.5 | Very high | 84 Ų | 84 | 32.4 Ų | 32.4 | 59% | 0.587 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -59 | -34.6 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | R97 P116 | R97-S118 PolarHBondContact NH2-O 3.27Å; P116-S118 PolarHBondContact O-N 3.34Å |
| 119 | D | 94.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -104.9 | 13.1 | -176.8 | -75.7 | -10.7 | 0 | 0 | 0 | 113.6 | R91 R97 L115 P116 S117 D121 L122 | R91-D119 IonicContact CZ-OD1 2.68Å; R91-D119 IonicContact CZ-OD2 2.65Å; R91-D119 IonicContact NH1-OD2 3.17Å; R91-D119 PolarHBondContact NH1-OD2 3.11Å; R91-D119 IonicContact NH2-OD1 3.47Å; R91-D119 PolarHBondContact NH2-OD1 3Å; R91-D119 IonicContact NH2-OD2 3.3Å; R91-D119 PolarHBondContact NH2-OD2 2.59Å; R97-D119 IonicContact CZ-OD1 3.83Å; R97-D119 IonicContact NH1-OD1 2.75Å; R97-D119 IonicContact NH2-OD1 3.5Å; R97-D119 PolarHBondContact NH2-OD1 3.07Å; L115-D119 HydrophobicContact CB-CB 4.21Å; L115-D119 HydrophobicContact CD2-CB 4.29Å; P116-D119 HydrophobicContact CG-CB 4.27Å; P116-D119 CarbonylContact O-C 3.54Å; P116-D119 WeakPolarHBondContact O-CA 3.33Å; P116-D119 PolarHBondContact O-N 3.25Å; S117-D119 PolarHBondContact O-N 3.05Å; D119-D121 PolarHBondContact O-N 3.16Å; D119-L122 HydrophobicContact CB-CD1 4.19Å; D119-L122 WeakPolarHBondContact O-CB 3.26Å; D119-L122 PolarHBondContact O-N 3.31Å |
| 120 | A | 92.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 50% | 0.504 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -57.3 | -25.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P116 S117 L122 E123 | P116-A120 PolarHBondContact O-N 2.96Å; S117-A120 WeakPolarHBondContact O-CB 3.45Å; S117-A120 PolarHBondContact O-N 3.22Å; A120-L122 PolarHBondContact O-N 3Å; A120-E123 WeakPolarHBondContact O-CB 3.43Å; A120-E123 PolarHBondContact O-N 3.19Å |
| 121 | D | 94.6 | Very high | 94.3 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -70 | -17.8 | 176.4 | 64.9 | -50.7 | 0 | 0 | 0 | 114 | R97 W100 D119 | R97-D121 WeakPolarHBondContact CD-OD2 3.13Å; R97-D121 IonicContact CZ-OD1 3.17Å; R97-D121 IonicContact NE-OD1 3.83Å; R97-D121 PolarHBondContact NE-OD1 3.41Å; R97-D121 IonicContact NE-OD2 2.65Å; R97-D121 PolarHBondContact NE-OD2 3.17Å; R97-D121 VanDerWaalsContact NE-OD2 3.17Å; R97-D121 IonicContact NH2-OD1 3.63Å; R97-D121 PolarHBondContact NH2-OD1 3.47Å; W100-D121 PolarHBondContact NE1-O 3.08Å; W100-D121 VanDerWaalsContact NE1-O 3.09Å; D119-D121 PolarHBondContact O-N 3.16Å |
| 122 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -90.7 | -3 | 178.6 | -58 | 178.4 | 0 | 0 | 0 | 113.3 | L96 R97 W100 L105 L107 L115 D119 A120 G124 A125 | L96-L122 HydrophobicContact CB-CD1 3.81Å; L96-L122 HydrophobicContact CD1-CD1 4.1Å; R97-L122 HydrophobicContact CG-CD2 4.02Å; W100-L122 HydrophobicContact CB-CD2 3.69Å; W100-L122 HydrophobicContact CG-CD2 3.89Å; L105-L122 HydrophobicContact CD2-CD2 4.16Å; L107-L122 HydrophobicContact CD1-CB 4.01Å; L115-L122 HydrophobicContact CD1-CB 4.01Å; D119-L122 HydrophobicContact CB-CD1 4.19Å; D119-L122 WeakPolarHBondContact O-CB 3.26Å; D119-L122 PolarHBondContact O-N 3.31Å; A120-L122 PolarHBondContact O-N 3Å; L122-G124 PolarHBondContact O-N 2.98Å; L122-G124 VanDerWaalsContact O-N 3.14Å; L122-A125 VanDerWaalsContact O-CB 3.27Å; L122-A125 WeakPolarHBondContact O-CB 3.47Å; L122-A125 PolarHBondContact O-N 3.37Å |
| 123 | E | 94.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -54.9 | -35.6 | -176.7 | 178.7 | 53.6 | -147.1 | 0 | 0 | 112.8 | A120 A125 V126 R137 | A120-E123 WeakPolarHBondContact O-CB 3.43Å; A120-E123 PolarHBondContact O-N 3.19Å; E123-A125 PolarHBondContact O-N 2.86Å; E123-V126 PolarHBondContact O-N 3.34Å; E123-V126 VanDerWaalsContact O-N 3.15Å; E123-R137 IonicContact OE1-CZ 3.87Å; E123-R137 IonicContact OE1-NH1 2.96Å; E123-R137 PolarHBondContact OE1-NH1 2.65Å; E123-R137 IonicContact OE1-NH2 3.15Å; E123-R137 PolarHBondContact OE1-NH2 3.13Å; E123-R137 IonicContact OE2-CZ 3.32Å; E123-R137 IonicContact OE2-NH2 2.65Å; E123-R137 PolarHBondContact OE2-NH2 2.8Å |
| 124 | G | 93.8 | Very high | 93.6 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -66.2 | -15.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | W100 L122 | W100-G124 VanDerWaalsContact CH2-C 3.46Å; W100-G124 WeakPolarHBondContact CH2-O 3.45Å; L122-G124 PolarHBondContact O-N 2.98Å; L122-G124 VanDerWaalsContact O-N 3.14Å |
| 125 | A | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -87.5 | -10.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W100 L105 R106 L107 L122 E123 V127 | W100-A125 HydrophobicContact CD2-CB 4.09Å; W100-A125 HydrophobicContact CE3-CB 3.62Å; W100-A125 HydrophobicContact CH2-CB 4.34Å; W100-A125 HydrophobicContact CZ3-CB 3.76Å; L105-A125 HydrophobicContact CB-CB 4.39Å; L105-A125 HydrophobicContact CD2-CB 3.95Å; L105-A125 HydrophobicContact CG-CB 4.06Å; R106-A125 CarbonylContact C-O 3.54Å; R106-A125 WeakPolarHBondContact CA-O 3.37Å; L107-A125 HydrophobicContact CD1-CB 4.17Å; L107-A125 HydrophobicContact CG-CB 4.05Å; L107-A125 PolarHBondContact N-O 3.3Å; L122-A125 VanDerWaalsContact O-CB 3.27Å; L122-A125 WeakPolarHBondContact O-CB 3.47Å; L122-A125 PolarHBondContact O-N 3.37Å; E123-A125 PolarHBondContact O-N 2.86Å; A125-V127 PolarHBondContact O-N 3.49Å |
| 126 | V | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.6 | -176.4 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | L107 L109 L115 E123 V129 | L107-V126 HydrophobicContact CB-CG2 4.13Å; L107-V126 HydrophobicContact CD1-CG2 4.3Å; L107-V126 CarbonylContact O-C 3.57Å; L107-V126 WeakPolarHBondContact O-CA 3.44Å; L109-V126 HydrophobicContact CD1-CG1 4.02Å; L109-V126 HydrophobicContact CD1-CG2 4.16Å; L109-V126 HydrophobicContact CD2-CG2 4.34Å; L109-V126 HydrophobicContact CG-CG1 3.85Å; L109-V126 HydrophobicContact CG-CG2 4.3Å; L115-V126 HydrophobicContact CD1-CG2 3.88Å; L115-V126 HydrophobicContact CG-CG2 4.48Å; E123-V126 PolarHBondContact O-N 3.34Å; E123-V126 VanDerWaalsContact O-N 3.15Å; V126-V129 HydrophobicContact CG1-CG2 3.94Å |
| 127 | V | 95.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -16.9 | -175.2 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | R106 L107 A125 P144 | R106-V127 HydrophobicContact CB-CG1 4.24Å; R106-V127 HydrophobicContact CB-CG2 4.09Å; R106-V127 HydrophobicContact CG-CG1 4.28Å; L107-V127 WeakPolarHBondContact O-CG2 3.47Å; L107-V127 PolarHBondContact O-N 2.94Å; A125-V127 PolarHBondContact O-N 3.49Å; V127-P144 WeakPolarHBondContact O-CD 3.4Å |
| 128 | E | 95.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 147.3 | 176.2 | -168.4 | 170.3 | -163.9 | 0 | 0 | 110.8 | F43 S108 L109 L130 P144 R160 | F43-E128 WeakPolarHBondContact CZ-OE2 3.39Å; S108-E128 CarbonylContact C-O 3.4Å; S108-E128 VanDerWaalsContact CA-O 3.25Å; S108-E128 WeakPolarHBondContact CA-O 3.4Å; L109-E128 PolarHBondContact N-O 3.01Å; E128-L130 HydrophobicContact CG-CD1 3.78Å; E128-P144 WeakPolarHBondContact CA-O 3.44Å; E128-R160 IonicContact OE1-CZ 3.72Å; E128-R160 IonicContact OE1-NH2 2.78Å; E128-R160 PolarHBondContact OE1-NH2 3.4Å |
| 129 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 128.1 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | L109 N113 V126 D131 P144 V145 T146 | L109-V129 HydrophobicContact CB-CG2 4.13Å; L109-V129 HydrophobicContact CD1-CG2 4.21Å; L109-V129 HydrophobicContact CG-CG2 4.28Å; L109-V129 WeakPolarHBondContact O-CA 3.48Å; N113-V129 HydrophobicContact CB-CG1 3.7Å; V126-V129 HydrophobicContact CG1-CG2 3.94Å; V129-D131 HydrophobicContact CG1-CB 4.22Å; V129-P144 PolarHBondContact N-O 2.8Å; V129-V145 HydrophobicContact CB-CB 4.5Å; V129-V145 HydrophobicContact CB-CG1 4.27Å; V129-V145 HydrophobicContact CB-CG2 4.26Å; V129-V145 HydrophobicContact CG1-CG1 4.31Å; V129-V145 HydrophobicContact CG2-CG2 4.42Å; V129-T146 PolarHBondContact O-N 3.16Å |
| 130 | L | 96.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.6 | 167.4 | -76.8 | 72.5 | 0 | 0 | 0 | 108.2 | F43 L109 V110 D111 E128 T146 C153 V157 | F43-L130 HydrophobicContact CD2-CD2 4.04Å; F43-L130 HydrophobicContact CE1-CD1 4.12Å; F43-L130 HydrophobicContact CE2-CD1 4.04Å; F43-L130 HydrophobicContact CE2-CD2 3.8Å; F43-L130 HydrophobicContact CZ-CD1 3.68Å; F43-L130 HydrophobicContact CZ-CD2 4.29Å; L109-L130 PolarHBondContact O-N 3.32Å; V110-L130 CarbonylContact C-O 3.5Å; V110-L130 WeakPolarHBondContact CA-O 3.35Å; V110-L130 HydrophobicContact CG1-CB 4.42Å; D111-L130 PolarHBondContact N-O 3.35Å; E128-L130 HydrophobicContact CG-CD1 3.78Å; L130-T146 WeakPolarHBondContact CA-O 3.25Å; L130-C153 PolarHBondContact O-SG 3.36Å; L130-C153 VanDerWaalsContact O-SG 3.41Å; L130-V157 HydrophobicContact CD2-CG2 4.23Å |
| 131 | D | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.4 | -176 | -174.3 | 21.4 | 0 | 0 | 0 | 111.5 | D111 H112 N113 V129 H133 T146 V147 E148 L156 | D111-D131 VanDerWaalsContact C-OD1 3.27Å; H112-D131 VanDerWaalsContact C-CG 3.46Å; H112-D131 VanDerWaalsContact CA-OD2 3.29Å; H112-D131 WeakPolarHBondContact CA-OD2 3.48Å; H112-D131 PolarHBondContact N-OD1 3.27Å; N113-D131 HydrophobicContact CB-CB 4.16Å; N113-D131 WeakPolarHBondContact CB-OD2 3.27Å; N113-D131 PolarHBondContact N-OD2 2.9Å; N113-D131 PolarHBondContact ND2-OD2 3.13Å; V129-D131 HydrophobicContact CG1-CB 4.22Å; D131-H133 IonicContact OD1-CE1 2.94Å; D131-H133 IonicContact OD1-CG 3.61Å; D131-H133 PolarHBondContact OD1-N 3.08Å; D131-H133 VanDerWaalsContact OD1-N 3.16Å; D131-H133 IonicContact OD1-ND1 3.93Å; D131-H133 PolarHBondContact OD1-ND1 2.92Å; D131-H133 IonicContact OD2-ND1 2.69Å; D131-T146 PolarHBondContact N-O 3.23Å; D131-V147 HydrophobicContact CB-CG2 4.26Å; D131-V147 VanDerWaalsContact O-CA 3.27Å; D131-V147 WeakPolarHBondContact O-CA 3.33Å; D131-E148 PolarHBondContact O-N 3.15Å; D131-E148 VanDerWaalsContact O-N 3.12Å; D131-L156 VanDerWaalsContact O-CD1 3.25Å; D131-L156 WeakPolarHBondContact O-CD1 3.15Å |
| 132 | H | 93 | Very high | 89.7 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | trans | -117.7 | 0.3 | 177.9 | 79.4 | 125.2 | 0 | 0 | 0 | 114.4 | D111 E148 V150 | D111-H132 IonicContact OD1-CD2 3.91Å; D111-H132 PolarHBondContact OD1-CD2 3.02Å; D111-H132 IonicContact OD1-NE2 3.65Å; D111-H132 PolarHBondContact OD1-NE2 3.43Å; H132-E148 WeakPolarHBondContact CA-O 3.25Å; H132-E148 VanDerWaalsContact CB-O 3.29Å; H132-E148 WeakPolarHBondContact CB-O 3.39Å; H132-V150 HydrophobicContact CB-CG2 3.68Å; H132-V150 PolarHBondContact ND1-O 3.43Å | ||
| 133 | H | 90.1 | Very high | 89.3 | Confident | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -79.7 | 175.3 | 172.3 | -61.1 | 89.8 | 0 | 0 | 0 | 112.4 | D111 D131 A135 V147 | D111-H133 IonicContact OD1-CE1 3.61Å; D111-H133 PolarHBondContact OD1-CE1 3.01Å; D111-H133 IonicContact OD1-ND1 2.8Å; D131-H133 IonicContact OD1-CE1 2.94Å; D131-H133 IonicContact OD1-CG 3.61Å; D131-H133 PolarHBondContact OD1-N 3.08Å; D131-H133 VanDerWaalsContact OD1-N 3.16Å; D131-H133 IonicContact OD1-ND1 3.93Å; D131-H133 PolarHBondContact OD1-ND1 2.92Å; D131-H133 IonicContact OD2-ND1 2.69Å; H133-A135 PolarHBondContact O-N 3.46Å; H133-V147 WeakPolarHBondContact O-CG1 3.43Å |
| 134 | Q | 87.8 | Confident | 89.1 | Confident | 143 Ų | 143 | 62.2 Ų | 62.2 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | trans | -59.5 | 133.6 | 174.3 | -175.4 | 170.4 | 0.6 | 0 | 0 | 110.5 | N113 E136 | N113-Q134 PolarHBondContact ND2-O 3.38Å; Q134-E136 PolarHBondContact O-N 3.12Å; Q134-E136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | A | 88.3 | Confident | 89 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | trans | -68.8 | 111 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H133 V147 | H133-A135 PolarHBondContact O-N 3.46Å; A135-V147 HydrophobicContact CB-CB 4.28Å; A135-V147 HydrophobicContact CB-CG1 4Å; A135-V147 HydrophobicContact CB-CG2 4.32Å | ||
| 136 | E | 87.1 | Confident | 88.8 | Confident | 141 Ų | 141 | 64.4 Ų | 64.4 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | trans | -110.2 | -23.5 | 177.5 | -66.9 | 178.5 | -163.9 | 0 | 0 | 111.8 | N113 V114 Q134 | N113-E136 PolarHBondContact OD1-N 2.74Å; V114-E136 HydrophobicContact CG2-CB 3.77Å; Q134-E136 PolarHBondContact O-N 3.12Å; Q134-E136 VanDerWaalsContact O-N 3.14Å | ||
| 137 | R | 86.9 | Confident | 88.6 | Confident | 34 Ų | 34 | 66 Ų | 66 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -63.6 | 135.1 | 175.2 | 173.6 | 178.3 | -87.2 | -92.2 | -0.7 | 112.1 | N113 V114 E123 V145 | N113-R137 HydrophobicContact CB-CB 4.39Å; N113-R137 WeakPolarHBondContact O-CB 3.16Å; N113-R137 PolarHBondContact O-NE 2.7Å; N113-R137 PolarHBondContact OD1-N 2.84Å; V114-R137 HydrophobicContact CG2-CB 4.15Å; E123-R137 IonicContact OE1-CZ 3.87Å; E123-R137 IonicContact OE1-NH1 2.96Å; E123-R137 PolarHBondContact OE1-NH1 2.65Å; E123-R137 IonicContact OE1-NH2 3.15Å; E123-R137 PolarHBondContact OE1-NH2 3.13Å; E123-R137 IonicContact OE2-CZ 3.32Å; E123-R137 IonicContact OE2-NH2 2.65Å; E123-R137 PolarHBondContact OE2-NH2 2.8Å; R137-V145 HydrophobicContact CG-CG2 4.47Å |
| 138 | K | 81.3 | Confident | 88.6 | Confident | 186 Ų | 186 | 68 Ų | 68 | 81% | 0.809 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 137.8 | 169.7 | -66 | 178 | -176.9 | 172.4 | 0 | 110.5 | S140 | K138-S140 PolarHBondContact O-N 2.71Š|
| 139 | S | 78.8 | Confident | 88.5 | Confident | 127 Ų | 127 | 73 Ų | 73 | 89% | 0.888 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 133.5 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 140 | S | 78.8 | Confident | 88.4 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | trans | -133.6 | 135 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | K138 T142 | K138-S140 PolarHBondContact O-N 2.71Å; S140-T142 PolarHBondContact O-N 2.65Å; S140-T142 PolarHBondContact OG-N 3.3Å; S140-T142 PolarHBondContact OG-OG1 3.39Å | ||
| 141 | P | 76.5 | Confident | 88.2 | Confident | 136 Ų | 136 | 74 Ų | 74 | 88% | 0.883 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17 | 176.9 | 28.3 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 142 | T | 79.3 | Confident | 88.2 | Confident | 113 Ų | 113 | 74 Ų | 74 | 69% | 0.693 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4.9 | -176.4 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | S140 | S140-T142 PolarHBondContact O-N 2.65Å; S140-T142 PolarHBondContact OG-N 3.3Å; S140-T142 PolarHBondContact OG-OG1 3.39Å |
| 143 | C | 87.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -134 | 101.1 | -177.8 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | V145 | C143-V145 WeakPolarHBondContact O-CG2 3.11Å; C143-V145 PolarHBondContact O-N 2.93Å |
| 144 | P | 90.1 | Very high | 88.9 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | trans | -56.7 | 128.5 | 168.3 | -22.9 | 35.7 | 0 | 0 | 0 | 109.9 | V127 E128 V129 | V127-P144 WeakPolarHBondContact O-CD 3.4Å; E128-P144 WeakPolarHBondContact CA-O 3.44Å; V129-P144 PolarHBondContact N-O 2.8Å | ||
| 145 | V | 91.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 62 Ų | 62 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.5 | 179 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | V129 R137 C143 V147 | V129-V145 HydrophobicContact CB-CB 4.5Å; V129-V145 HydrophobicContact CB-CG1 4.27Å; V129-V145 HydrophobicContact CB-CG2 4.26Å; V129-V145 HydrophobicContact CG1-CG1 4.31Å; V129-V145 HydrophobicContact CG2-CG2 4.42Å; R137-V145 HydrophobicContact CG-CG2 4.47Å; C143-V145 WeakPolarHBondContact O-CG2 3.11Å; C143-V145 PolarHBondContact O-N 2.93Å; V145-V147 HydrophobicContact CG1-CG2 3.57Å |
| 146 | T | 92.4 | Very high | 89.9 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 101.8 | 170.2 | -59.9 | 0 | 0 | 0 | 0 | 108 | V129 L130 D131 | V129-T146 PolarHBondContact O-N 3.16Å; L130-T146 WeakPolarHBondContact CA-O 3.25Å; D131-T146 PolarHBondContact N-O 3.23Å |
| 147 | V | 91.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | N113 D131 H133 A135 V145 | N113-V147 HydrophobicContact CB-CG2 4.32Å; D131-V147 HydrophobicContact CB-CG2 4.26Å; D131-V147 VanDerWaalsContact O-CA 3.27Å; D131-V147 WeakPolarHBondContact O-CA 3.33Å; H133-V147 WeakPolarHBondContact O-CG1 3.43Å; A135-V147 HydrophobicContact CB-CB 4.28Å; A135-V147 HydrophobicContact CB-CG1 4Å; A135-V147 HydrophobicContact CB-CG2 4.32Å; V145-V147 HydrophobicContact CG1-CG2 3.57Å |
| 148 | E | 93.3 | Very high | 91 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | trans | -137.4 | 129.7 | 178 | -67 | -168.8 | -125.9 | 0 | 0 | 110.3 | D131 H132 V150 L156 K198 | D131-E148 PolarHBondContact O-N 3.15Å; D131-E148 VanDerWaalsContact O-N 3.12Å; H132-E148 WeakPolarHBondContact CA-O 3.25Å; H132-E148 VanDerWaalsContact CB-O 3.29Å; H132-E148 WeakPolarHBondContact CB-O 3.39Å; E148-V150 HydrophobicContact CB-CG1 4.39Å; E148-V150 PolarHBondContact O-N 2.65Å; E148-L156 HydrophobicContact CB-CD1 4.42Å; E148-L156 HydrophobicContact CB-CD2 3.98Å; E148-L156 HydrophobicContact CG-CD2 4.42Å; E148-K198 IonicContact OE1-NZ 3.86Å; E148-K198 PolarHBondContact OE1-NZ 3.36Å; E148-K198 WeakPolarHBondContact OE2-CE 3.44Å; E148-K198 IonicContact OE2-NZ 3.34Å; E148-K198 PolarHBondContact OE2-NZ 3.37Å | ||
| 149 | M | 93.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 43 Ų | 43 | 67% | 0.665 | 26% | 0.261 | S | S | * | . | trans | -73.3 | 63.8 | -178.4 | -59.6 | -60.2 | -54.1 | 0 | 0 | 112.4 | T196 | M149-T196 WeakPolarHBondContact O-CG2 3.37Š| ||
| 150 | V | 95.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | trans | -91.6 | 169.7 | 172.3 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | H132 E148 S152 L156 K198 | H132-V150 HydrophobicContact CB-CG2 3.68Å; H132-V150 PolarHBondContact ND1-O 3.43Å; E148-V150 HydrophobicContact CB-CG1 4.39Å; E148-V150 PolarHBondContact O-N 2.65Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 WeakPolarHBondContact CG2-O 3.11Å; V150-S152 PolarHBondContact O-N 2.91Å; V150-L156 HydrophobicContact CG1-CD2 4.17Å; V150-L156 HydrophobicContact CG2-CD1 4.25Å; V150-L156 HydrophobicContact CG2-CD2 3.78Å; V150-L156 HydrophobicContact CG2-CG 3.8Å; V150-K198 HydrophobicContact CG1-CB 4.13Å; V150-K198 HydrophobicContact CG1-CD 3.93Å; V150-K198 HydrophobicContact CG1-CG 4.39Å | ||
| 151 | G | 93.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -69.8 | -23.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D184 K194 D199 | G151-D184 WeakPolarHBondContact O-CB 3.48Å; G151-K194 VanDerWaalsContact CA-O 3.23Å; G151-K194 WeakPolarHBondContact CA-O 3.26Å; G151-D199 PolarHBondContact N-OD1 2.92Å; G151-D199 PolarHBondContact N-OD2 3.43Å |
| 152 | S | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -152.2 | 141 | -179.3 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | D35 V150 A154 T155 D184 | D35-S152 PolarHBondContact OD1-OG 3.05Å; D35-S152 VanDerWaalsContact OD2-CA 3.25Å; D35-S152 WeakPolarHBondContact OD2-CA 3.15Å; D35-S152 WeakPolarHBondContact OD2-CB 3.47Å; D35-S152 PolarHBondContact OD2-OG 3.28Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 WeakPolarHBondContact CG2-O 3.11Å; V150-S152 PolarHBondContact O-N 2.91Å; S152-A154 PolarHBondContact O-N 2.8Å; S152-A154 WeakPolarHBondContact OG-CB 3.46Å; S152-A154 PolarHBondContact OG-N 3.39Å; S152-A154 VanDerWaalsContact OG-N 3.12Å; S152-T155 VanDerWaalsContact O-CB 3.22Å; S152-T155 WeakPolarHBondContact O-CB 3.4Å; S152-T155 PolarHBondContact O-N 2.95Å; S152-T155 VanDerWaalsContact O-N 3.07Å; S152-D184 PolarHBondContact OG-OD2 3.01Å | ||
| 153 | C | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -32.8 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | D35 D111 L130 T155 L156 V157 | D35-C153 WeakPolarHBondContact OD1-CB 3.34Å; D35-C153 PolarHBondContact OD2-N 3.39Å; D111-C153 HydrophobicContact CB-CB 3.8Å; D111-C153 PolarHBondContact N-SG 3.09Å; L130-C153 PolarHBondContact O-SG 3.36Å; L130-C153 VanDerWaalsContact O-SG 3.41Å; C153-T155 PolarHBondContact O-N 3.04Å; C153-T155 VanDerWaalsContact O-N 3.13Å; C153-L156 WeakPolarHBondContact O-CA 3.46Å; C153-L156 WeakPolarHBondContact O-CB 3.29Å; C153-L156 PolarHBondContact O-N 3.21Å; C153-V157 PolarHBondContact O-N 3.16Å; C153-V157 VanDerWaalsContact O-N 3.08Å |
| 154 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -23.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | D35 S39 S152 T158 L177 T180 V181 | D35-A154 PolarHBondContact OD1-N 3.35Å; S39-A154 WeakPolarHBondContact OG-CA 3.49Å; S39-A154 PolarHBondContact OG-N 2.91Å; S39-A154 VanDerWaalsContact OG-N 3.13Å; S152-A154 PolarHBondContact O-N 2.8Å; S152-A154 WeakPolarHBondContact OG-CB 3.46Å; S152-A154 PolarHBondContact OG-N 3.39Å; S152-A154 VanDerWaalsContact OG-N 3.12Å; A154-T158 VanDerWaalsContact O-CB 3.26Å; A154-T158 WeakPolarHBondContact O-CB 3.46Å; A154-T158 PolarHBondContact O-N 2.99Å; A154-T158 PolarHBondContact O-OG1 2.98Å; A154-L177 HydrophobicContact CB-CD2 4.17Å; A154-T180 HydrophobicContact CB-CG2 3.59Å; A154-V181 HydrophobicContact CB-CG2 3.88Å |
| 155 | T | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 169.9 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | S152 C153 T158 E159 V181 K198 D199 Y202 | S152-T155 VanDerWaalsContact O-CB 3.22Å; S152-T155 WeakPolarHBondContact O-CB 3.4Å; S152-T155 PolarHBondContact O-N 2.95Å; S152-T155 VanDerWaalsContact O-N 3.07Å; C153-T155 PolarHBondContact O-N 3.04Å; C153-T155 VanDerWaalsContact O-N 3.13Å; T155-T158 PolarHBondContact O-N 2.83Å; T155-E159 WeakPolarHBondContact O-CB 3.36Å; T155-E159 PolarHBondContact O-N 3.29Å; T155-V181 VanDerWaalsContact OG1-CG1 3.25Å; T155-V181 WeakPolarHBondContact OG1-CG1 3.29Å; T155-V181 WeakPolarHBondContact OG1-CG2 3.23Å; T155-K198 HydrophobicContact CG2-CB 4.47Å; T155-K198 HydrophobicContact CG2-CD 4.27Å; T155-K198 HydrophobicContact CG2-CG 3.85Å; T155-D199 VanDerWaalsContact CB-OD1 3.29Å; T155-D199 WeakPolarHBondContact CB-OD1 3.41Å; T155-D199 WeakPolarHBondContact CG2-OD1 3.44Å; T155-D199 PolarHBondContact OG1-OD1 3.17Å; T155-Y202 HydrophobicContact CG2-CD2 3.96Å |
| 156 | L | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 179 | -53.9 | -179.2 | 0 | 0 | 0 | 111.5 | D131 E148 V150 C153 E159 R160 K198 | D131-L156 VanDerWaalsContact O-CD1 3.25Å; D131-L156 WeakPolarHBondContact O-CD1 3.15Å; E148-L156 HydrophobicContact CB-CD1 4.42Å; E148-L156 HydrophobicContact CB-CD2 3.98Å; E148-L156 HydrophobicContact CG-CD2 4.42Å; V150-L156 HydrophobicContact CG1-CD2 4.17Å; V150-L156 HydrophobicContact CG2-CD1 4.25Å; V150-L156 HydrophobicContact CG2-CD2 3.78Å; V150-L156 HydrophobicContact CG2-CG 3.8Å; C153-L156 WeakPolarHBondContact O-CA 3.46Å; C153-L156 WeakPolarHBondContact O-CB 3.29Å; C153-L156 PolarHBondContact O-N 3.21Å; L156-E159 WeakPolarHBondContact O-CB 3.49Å; L156-E159 PolarHBondContact O-N 2.79Å; L156-R160 PolarHBondContact O-N 3.27Å; L156-K198 HydrophobicContact CD2-CD 4.35Å |
| 157 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | A42 F43 L130 C153 R160 I161 L177 | A42-V157 HydrophobicContact CB-CG1 3.79Å; F43-V157 HydrophobicContact CB-CG1 4.06Å; F43-V157 HydrophobicContact CB-CG2 4.28Å; F43-V157 HydrophobicContact CD2-CG1 4.44Å; L130-V157 HydrophobicContact CD2-CG2 4.23Å; C153-V157 PolarHBondContact O-N 3.16Å; C153-V157 VanDerWaalsContact O-N 3.08Å; V157-R160 PolarHBondContact O-N 3.33Å; V157-I161 HydrophobicContact CG1-CD1 3.96Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 2.88Å; V157-L177 HydrophobicContact CB-CD2 4.36Å; V157-L177 HydrophobicContact CG1-CD2 4.15Å |
| 158 | T | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | A154 T155 R160 I161 I162 Y202 L206 | A154-T158 VanDerWaalsContact O-CB 3.26Å; A154-T158 WeakPolarHBondContact O-CB 3.46Å; A154-T158 PolarHBondContact O-N 2.99Å; A154-T158 PolarHBondContact O-OG1 2.98Å; T155-T158 PolarHBondContact O-N 2.83Å; T158-R160 VanDerWaalsContact C-N 3.33Å; T158-R160 PolarHBondContact O-N 2.83Å; T158-I161 PolarHBondContact O-N 3.04Å; T158-I162 HydrophobicContact CG2-CD1 3.68Å; T158-I162 HydrophobicContact CG2-CG1 4.41Å; T158-I162 WeakPolarHBondContact O-CB 3.22Å; T158-I162 WeakPolarHBondContact O-CG1 3.31Å; T158-I162 PolarHBondContact O-N 2.79Å; T158-Y202 HydrophobicContact CG2-CD1 4.3Å; T158-Y202 HydrophobicContact CG2-CG 4.31Å; T158-L206 HydrophobicContact CG2-CD1 3.94Å; T158-L206 HydrophobicContact CG2-CD2 4.17Å; T158-L206 HydrophobicContact CG2-CG 4.04Å |
| 159 | E | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.4 | -50.5 | 174.4 | 169.5 | 155.4 | -125.7 | 0 | 0 | 111.8 | T155 L156 I161 I162 K163 K198 Y202 | T155-E159 WeakPolarHBondContact O-CB 3.36Å; T155-E159 PolarHBondContact O-N 3.29Å; L156-E159 WeakPolarHBondContact O-CB 3.49Å; L156-E159 PolarHBondContact O-N 2.79Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 3.14Å; E159-I162 PolarHBondContact O-N 3.41Å; E159-K163 HydrophobicContact CG-CD 4Å; E159-K163 WeakPolarHBondContact O-CB 3.36Å; E159-K163 WeakPolarHBondContact O-CG 2.95Å; E159-K163 PolarHBondContact O-N 3.18Å; E159-K163 VanDerWaalsContact OE1-CE 3.27Å; E159-K163 WeakPolarHBondContact OE1-CE 3.37Å; E159-K163 IonicContact OE1-NZ 3.09Å; E159-K163 PolarHBondContact OE1-NZ 2.85Å; E159-K198 IonicContact OE1-NZ 2.65Å; E159-K198 WeakPolarHBondContact OE2-CE 3.46Å; E159-K198 IonicContact OE2-NZ 3.41Å; E159-K198 PolarHBondContact OE2-NZ 2.97Å; E159-Y202 HydrophobicContact CB-CD2 4.06Å; E159-Y202 HydrophobicContact CB-CE1 4.09Å; E159-Y202 HydrophobicContact CB-CE2 3.41Å; E159-Y202 VanDerWaalsContact CB-CE2 3.41Å; E159-Y202 VanDerWaalsContact CB-CZ 3.43Å; E159-Y202 HydrophobicContact CG-CE1 4.47Å; E159-Y202 HydrophobicContact CG-CE2 3.81Å; E159-Y202 WeakPolarHBondContact CG-OH 3.27Å; E159-Y202 PolarHBondContact OE1-OH 3.36Å |
| 160 | R | 97.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 30.6 Ų | 30.6 | 22% | 0.223 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | -179 | -177.2 | 67.9 | 74.9 | 138.3 | 20.1 | 111.3 | F43 F46 E128 L156 V157 T158 K163 E164 | F43-R160 HydrophobicContact CE2-CG 4.22Å; F46-R160 HydrophobicContact CD1-CG 4.26Å; F46-R160 HydrophobicContact CE1-CG 3.77Å; F46-R160 HydrophobicContact CE2-CG 4.27Å; F46-R160 HydrophobicContact CZ-CG 3.78Å; E128-R160 IonicContact OE1-CZ 3.72Å; E128-R160 IonicContact OE1-NH2 2.78Å; E128-R160 PolarHBondContact OE1-NH2 3.4Å; L156-R160 PolarHBondContact O-N 3.27Å; V157-R160 PolarHBondContact O-N 3.33Å; T158-R160 VanDerWaalsContact C-N 3.33Å; T158-R160 PolarHBondContact O-N 2.83Å; R160-K163 PolarHBondContact O-N 2.76Å; R160-E164 VanDerWaalsContact CD-CD 3.44Å; R160-E164 WeakPolarHBondContact CD-OE1 3.39Å; R160-E164 IonicContact CZ-OE1 2.71Å; R160-E164 IonicContact NE-OE1 3.14Å; R160-E164 IonicContact NH1-OE1 2.67Å; R160-E164 PolarHBondContact NH1-OE1 3.33Å; R160-E164 IonicContact NH1-OE2 2.91Å; R160-E164 WeakPolarHBondContact O-CB 3.31Å; R160-E164 PolarHBondContact O-N 3.02Å |
| 161 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | -179.8 | -66.5 | 169.9 | 0 | 0 | 0 | 110.9 | A42 F46 V157 T158 E159 K163 A165 I168 L169 L177 | A42-I161 HydrophobicContact CB-CD1 4.29Å; F46-I161 HydrophobicContact CB-CD1 4.4Å; F46-I161 HydrophobicContact CB-CG1 3.97Å; F46-I161 HydrophobicContact CD2-CG1 3.86Å; F46-I161 HydrophobicContact CG-CG1 4.14Å; V157-I161 HydrophobicContact CG1-CD1 3.96Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 2.88Å; T158-I161 PolarHBondContact O-N 3.04Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 3.14Å; I161-K163 VanDerWaalsContact C-N 3.33Å; I161-K163 PolarHBondContact O-N 3.35Å; I161-A165 CarbonylContact O-C 3.58Å; I161-A165 WeakPolarHBondContact O-CA 3.2Å; I161-A165 PolarHBondContact O-N 3.17Å; I161-I168 HydrophobicContact CD1-CD1 4.4Å; I161-I168 HydrophobicContact CG1-CD1 4.13Å; I161-I168 HydrophobicContact CG2-CD1 3.78Å; I161-I168 HydrophobicContact CG2-CG1 3.59Å; I161-L169 HydrophobicContact CG2-CD1 4.04Å; I161-L169 HydrophobicContact CG2-CD2 3.66Å; I161-L169 HydrophobicContact CG2-CG 3.55Å; I161-L177 HydrophobicContact CD1-CD1 4.1Å |
| 162 | I | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.077 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | -177.6 | -76.7 | 173.8 | 0 | 0 | 0 | 111.8 | T158 E159 P166 L169 Y202 E205 | T158-I162 HydrophobicContact CG2-CD1 3.68Å; T158-I162 HydrophobicContact CG2-CG1 4.41Å; T158-I162 WeakPolarHBondContact O-CB 3.22Å; T158-I162 WeakPolarHBondContact O-CG1 3.31Å; T158-I162 PolarHBondContact O-N 2.79Å; E159-I162 PolarHBondContact O-N 3.41Å; I162-P166 WeakPolarHBondContact O-CD 3.04Å; I162-L169 HydrophobicContact CD1-CD1 4.46Å; I162-L169 HydrophobicContact CG1-CD1 3.72Å; I162-Y202 HydrophobicContact CB-CE1 4.46Å; I162-Y202 HydrophobicContact CD1-CD1 3.74Å; I162-Y202 HydrophobicContact CD1-CE1 4.21Å; I162-Y202 HydrophobicContact CG2-CE1 4.35Å; I162-E205 HydrophobicContact CD1-CB 4.35Å; I162-E205 HydrophobicContact CD1-CG 3.95Å; I162-E205 VanDerWaalsContact CG2-OE1 3.29Å; I162-E205 WeakPolarHBondContact CG2-OE1 3.49Å |
| 163 | K | 97.5 | Very high | 97.8 | Very high | 138 Ų | 138 | 34.8 Ų | 34.8 | 60% | 0.6 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -74.4 | -38.9 | -178.8 | -73.6 | -177.5 | -178.5 | 172.3 | 0 | 113.3 | E159 R160 I161 Y202 | E159-K163 HydrophobicContact CG-CD 4Å; E159-K163 WeakPolarHBondContact O-CB 3.36Å; E159-K163 WeakPolarHBondContact O-CG 2.95Å; E159-K163 PolarHBondContact O-N 3.18Å; E159-K163 VanDerWaalsContact OE1-CE 3.27Å; E159-K163 WeakPolarHBondContact OE1-CE 3.37Å; E159-K163 IonicContact OE1-NZ 3.09Å; E159-K163 PolarHBondContact OE1-NZ 2.85Å; R160-K163 PolarHBondContact O-N 2.76Å; I161-K163 VanDerWaalsContact C-N 3.33Å; I161-K163 PolarHBondContact O-N 3.35Å; K163-Y202 WeakPolarHBondContact CE-OH 3.41Å |
| 164 | E | 97.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 34.8 Ų | 34.8 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -108.6 | -32.9 | -167.4 | -63.4 | -176.1 | -151.7 | 0 | 0 | 113.7 | F46 R160 | F46-E164 HydrophobicContact CE2-CB 3.91Å; F46-E164 HydrophobicContact CZ-CB 3.94Å; F46-E164 WeakPolarHBondContact CZ-OE2 3.48Å; R160-E164 VanDerWaalsContact CD-CD 3.44Å; R160-E164 WeakPolarHBondContact CD-OE1 3.39Å; R160-E164 IonicContact CZ-OE1 2.71Å; R160-E164 IonicContact NE-OE1 3.14Å; R160-E164 IonicContact NH1-OE1 2.67Å; R160-E164 PolarHBondContact NH1-OE1 3.33Å; R160-E164 IonicContact NH1-OE2 2.91Å; R160-E164 WeakPolarHBondContact O-CB 3.31Å; R160-E164 PolarHBondContact O-N 3.02Å |
| 165 | A | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -147 | 55.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F46 T50 I161 Q167 I168 | F46-A165 HydrophobicContact CD2-CB 4.04Å; F46-A165 HydrophobicContact CE2-CB 3.78Å; T50-A165 HydrophobicContact CG2-CB 3.54Å; I161-A165 CarbonylContact O-C 3.58Å; I161-A165 WeakPolarHBondContact O-CA 3.2Å; I161-A165 PolarHBondContact O-N 3.17Å; A165-Q167 PolarHBondContact O-N 2.78Å; A165-I168 HydrophobicContact CB-CD1 4.42Å; A165-I168 HydrophobicContact CB-CG2 3.98Å; A165-I168 WeakPolarHBondContact O-CG1 3.41Å; A165-I168 PolarHBondContact O-N 2.86Å | ||
| 166 | P | 97.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 29% | 0.292 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -57.9 | -25.6 | -174.3 | 21.8 | -33.2 | 0 | 0 | 0 | 113.7 | I162 I168 L169 R209 | I162-P166 WeakPolarHBondContact O-CD 3.04Å; P166-I168 PolarHBondContact O-N 2.93Å; P166-L169 PolarHBondContact O-N 3Å; P166-R209 VanDerWaalsContact CB-NH1 3.32Å |
| 167 | Q | 96.5 | Very high | 97.8 | Very high | 144 Ų | 144 | 35.5 Ų | 35.5 | 67% | 0.673 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -64.7 | -16.3 | 178.6 | 70.3 | -78 | -0.3 | 0 | 0 | 114.6 | A165 L169 | A165-Q167 PolarHBondContact O-N 2.78Å; Q167-L169 VanDerWaalsContact C-N 3.32Å |
| 168 | I | 96.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -82.6 | -15.7 | 179.4 | 81.1 | 180 | 0 | 0 | 0 | 112.1 | Y45 F46 K49 I161 A165 P166 D170 I173 | Y45-I168 HydrophobicContact CD1-CD1 4.14Å; Y45-I168 HydrophobicContact CD1-CG1 4.44Å; Y45-I168 HydrophobicContact CE1-CB 3.96Å; Y45-I168 HydrophobicContact CE1-CD1 4.41Å; Y45-I168 HydrophobicContact CE1-CG1 4.29Å; F46-I168 HydrophobicContact CB-CD1 3.92Å; F46-I168 HydrophobicContact CD2-CD1 3.92Å; F46-I168 HydrophobicContact CG-CD1 4.42Å; K49-I168 HydrophobicContact CB-CG2 3.65Å; K49-I168 HydrophobicContact CG-CB 4.35Å; K49-I168 HydrophobicContact CG-CG2 3.9Å; I161-I168 HydrophobicContact CD1-CD1 4.4Å; I161-I168 HydrophobicContact CG1-CD1 4.13Å; I161-I168 HydrophobicContact CG2-CD1 3.78Å; I161-I168 HydrophobicContact CG2-CG1 3.59Å; A165-I168 HydrophobicContact CB-CD1 4.42Å; A165-I168 HydrophobicContact CB-CG2 3.98Å; A165-I168 WeakPolarHBondContact O-CG1 3.41Å; A165-I168 PolarHBondContact O-N 2.86Å; P166-I168 PolarHBondContact O-N 2.93Å; I168-D170 PolarHBondContact O-N 3.1Å; I168-I173 WeakPolarHBondContact O-CD1 3.41Å |
| 169 | L | 97.9 | Very high | 97.8 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | trans | -69.6 | 121.3 | 177.7 | -68 | 170.9 | 0 | 0 | 0 | 109.1 | I161 I162 P166 Q167 I173 L177 L206 F210 | I161-L169 HydrophobicContact CG2-CD1 4.04Å; I161-L169 HydrophobicContact CG2-CD2 3.66Å; I161-L169 HydrophobicContact CG2-CG 3.55Å; I162-L169 HydrophobicContact CD1-CD1 4.46Å; I162-L169 HydrophobicContact CG1-CD1 3.72Å; P166-L169 PolarHBondContact O-N 3Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; L169-I173 HydrophobicContact CD2-CG2 3.91Å; L169-L177 HydrophobicContact CD2-CD1 3.99Å; L169-L206 HydrophobicContact CD1-CD2 4.44Å; L169-F210 HydrophobicContact CB-CE2 3.93Å; L169-F210 HydrophobicContact CB-CZ 3.69Å | ||
| 170 | D | 96.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | trans | -117.1 | 175.7 | 166.3 | 63.6 | 23 | 0 | 0 | 0 | 109.3 | I168 Q172 I173 A174 F210 | I168-D170 PolarHBondContact O-N 3.1Å; D170-Q172 PolarHBondContact O-N 2.77Å; D170-Q172 VanDerWaalsContact O-N 3.17Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.29Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.29Å; D170-Q172 PolarHBondContact OD1-N 3.36Å; D170-I173 PolarHBondContact O-N 3.44Å; D170-I173 WeakPolarHBondContact OD1-CG1 3.38Å; D170-I173 PolarHBondContact OD1-N 3.01Å; D170-A174 VanDerWaalsContact O-CB 3.23Å; D170-A174 WeakPolarHBondContact O-CB 3.39Å; D170-A174 PolarHBondContact O-N 3.49Å; D170-F210 VanDerWaalsContact C-CE1 3.43Å | ||
| 171 | Q | 97.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.3 | -34.6 | 178.6 | -173.1 | 62.6 | 41.1 | 0 | 0 | 112.7 | L175 S212 | Q171-L175 VanDerWaalsContact O-CB 3.29Å; Q171-L175 WeakPolarHBondContact O-CB 3.44Å; Q171-L175 PolarHBondContact O-N 3.43Å; Q171-S212 PolarHBondContact NE2-OG 3.17Å; Q171-S212 VanDerWaalsContact NE2-OG 3.16Å; Q171-S212 PolarHBondContact OE1-OG 3.09Å |
| 172 | Q | 97.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 17% | 0.173 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.4 | -47.7 | -175.7 | -179.1 | 176.6 | 70.2 | 0 | 0 | 110.7 | M1 A81 L83 D170 L175 L176 | M1-Q172 VanDerWaalsContact CB-OE1 3.28Å; M1-Q172 VanDerWaalsContact N-OE1 3.16Å; A81-Q172 HydrophobicContact CB-CG 4.38Å; A81-Q172 PolarHBondContact O-NE2 3.15Å; L83-Q172 HydrophobicContact CD1-CG 4.27Å; L83-Q172 HydrophobicContact CG-CG 4.3Å; D170-Q172 PolarHBondContact O-N 2.77Å; D170-Q172 VanDerWaalsContact O-N 3.17Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.29Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.29Å; D170-Q172 PolarHBondContact OD1-N 3.36Å; Q172-L175 PolarHBondContact O-N 3.37Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 2.72Å |
| 173 | I | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | 178.6 | -64.2 | 165.1 | 0 | 0 | 0 | 110.6 | M1 Y45 I168 L169 D170 L175 L176 L177 | M1-I173 HydrophobicContact CB-CG1 4.11Å; M1-I173 HydrophobicContact CE-CD1 4.29Å; M1-I173 HydrophobicContact CE-CG1 3.98Å; Y45-I173 HydrophobicContact CD1-CD1 3.32Å; Y45-I173 HydrophobicContact CE1-CD1 3.13Å; Y45-I173 HydrophobicContact CG-CD1 4.28Å; I168-I173 WeakPolarHBondContact O-CD1 3.41Å; L169-I173 HydrophobicContact CD2-CG2 3.91Å; D170-I173 PolarHBondContact O-N 3.44Å; D170-I173 WeakPolarHBondContact OD1-CG1 3.38Å; D170-I173 PolarHBondContact OD1-N 3.01Å; I173-L175 VanDerWaalsContact C-N 3.3Å; I173-L175 PolarHBondContact O-N 3.23Å; I173-L176 PolarHBondContact O-N 3.42Å; I173-L177 HydrophobicContact CG2-CD1 3.8Å; I173-L177 HydrophobicContact CG2-CG 4.36Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.28Å |
| 174 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D170 L176 Y178 L206 F210 | D170-A174 VanDerWaalsContact O-CB 3.23Å; D170-A174 WeakPolarHBondContact O-CB 3.39Å; D170-A174 PolarHBondContact O-N 3.49Å; A174-L176 PolarHBondContact O-N 3.48Å; A174-Y178 WeakPolarHBondContact O-CB 3.47Å; A174-Y178 PolarHBondContact O-N 2.93Å; A174-L206 HydrophobicContact CB-CD2 4.12Å; A174-F210 HydrophobicContact CB-CB 4.3Å; A174-F210 HydrophobicContact CB-CD1 4.15Å; A174-F210 HydrophobicContact CB-CD2 3.34Å; A174-F210 HydrophobicContact CB-CE1 4.36Å; A174-F210 HydrophobicContact CB-CE2 3.59Å; A174-F210 HydrophobicContact CB-CG 3.66Å; A174-F210 HydrophobicContact CB-CZ 4.11Å |
| 175 | L | 98.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.4 | 175.7 | 64 | 0 | 0 | 0 | 112.4 | R80 A81 Q171 Q172 I173 A179 L213 P214 | R80-L175 HydrophobicContact CG-CD2 4.25Å; A81-L175 HydrophobicContact CB-CD2 4.27Å; Q171-L175 VanDerWaalsContact O-CB 3.29Å; Q171-L175 WeakPolarHBondContact O-CB 3.44Å; Q171-L175 PolarHBondContact O-N 3.43Å; Q172-L175 PolarHBondContact O-N 3.37Å; I173-L175 VanDerWaalsContact C-N 3.3Å; I173-L175 PolarHBondContact O-N 3.23Å; L175-A179 WeakPolarHBondContact O-CB 3.3Å; L175-A179 PolarHBondContact O-N 2.72Å; L175-L213 HydrophobicContact CB-CD2 3.96Å; L175-L213 HydrophobicContact CD1-CD2 4.15Å; L175-P214 HydrophobicContact CD1-CG 4.1Å |
| 176 | L | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -52.9 | 179.3 | -66.9 | 169.2 | 0 | 0 | 0 | 111.3 | V38 M41 L77 A81 L83 Q172 I173 A174 A179 T180 | V38-L176 HydrophobicContact CG1-CB 3.87Å; V38-L176 HydrophobicContact CG2-CB 4.11Å; V38-L176 HydrophobicContact CG2-CD2 4.35Å; M41-L176 HydrophobicContact CE-CD1 4.24Å; L77-L176 HydrophobicContact CD1-CD2 4.36Å; L77-L176 HydrophobicContact CD2-CD2 4.11Å; L77-L176 HydrophobicContact CG-CD2 3.9Å; A81-L176 HydrophobicContact CB-CD2 3.76Å; A81-L176 HydrophobicContact CB-CG 4.22Å; L83-L176 HydrophobicContact CD1-CD1 3.67Å; L83-L176 HydrophobicContact CD1-CD2 4.38Å; L83-L176 HydrophobicContact CD1-CG 4.5Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 2.72Å; I173-L176 PolarHBondContact O-N 3.42Å; A174-L176 PolarHBondContact O-N 3.48Å; L176-A179 PolarHBondContact O-N 2.51Å; L176-T180 WeakPolarHBondContact O-CB 3.44Å; L176-T180 PolarHBondContact O-N 2.71Å; L176-T180 VanDerWaalsContact O-N 3.15Å; L176-T180 PolarHBondContact O-OG1 3.1Å |
| 177 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 179.2 | -70.1 | 168.1 | 0 | 0 | 0 | 110.7 | V38 A42 A154 V157 I161 L169 I173 A179 T180 V181 L206 | V38-L177 HydrophobicContact CG1-CD2 4.03Å; V38-L177 HydrophobicContact CG1-CG 4.45Å; A42-L177 HydrophobicContact CB-CD1 4.49Å; A42-L177 HydrophobicContact CB-CD2 3.74Å; A42-L177 HydrophobicContact CB-CG 4.24Å; A154-L177 HydrophobicContact CB-CD2 4.17Å; V157-L177 HydrophobicContact CB-CD2 4.36Å; V157-L177 HydrophobicContact CG1-CD2 4.15Å; I161-L177 HydrophobicContact CD1-CD1 4.1Å; L169-L177 HydrophobicContact CD2-CD1 3.99Å; I173-L177 HydrophobicContact CG2-CD1 3.8Å; I173-L177 HydrophobicContact CG2-CG 4.36Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.28Å; L177-A179 PolarHBondContact O-N 2.66Å; L177-T180 WeakPolarHBondContact O-CB 3.3Å; L177-T180 PolarHBondContact O-N 2.94Å; L177-V181 WeakPolarHBondContact O-CG2 3.19Å; L177-V181 PolarHBondContact O-N 3.08Å; L177-V181 VanDerWaalsContact O-N 3.1Å; L177-L206 HydrophobicContact CB-CD1 4.11Å |
| 178 | Y | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 178.9 | 177.7 | -103.8 | 0 | 0 | 0 | 112.7 | A174 T180 V181 V182 V203 E207 L213 P214 R216 L219 | A174-Y178 WeakPolarHBondContact O-CB 3.47Å; A174-Y178 PolarHBondContact O-N 2.93Å; Y178-T180 VanDerWaalsContact C-N 3.26Å; Y178-T180 PolarHBondContact O-N 3.38Å; Y178-V181 PolarHBondContact O-N 2.67Å; Y178-V182 HydrophobicContact CD1-CG2 4.28Å; Y178-V182 HydrophobicContact CD2-CG2 4.23Å; Y178-V182 HydrophobicContact CE1-CG2 4.03Å; Y178-V182 HydrophobicContact CE2-CG2 3.98Å; Y178-V182 HydrophobicContact CG-CG2 4.39Å; Y178-V182 VanDerWaalsContact O-CB 3.31Å; Y178-V182 WeakPolarHBondContact O-CB 3.33Å; Y178-V182 VanDerWaalsContact O-CG2 3.23Å; Y178-V182 WeakPolarHBondContact O-CG2 3.48Å; Y178-V182 PolarHBondContact O-N 3.12Å; Y178-V203 HydrophobicContact CD2-CG1 3.96Å; Y178-V203 HydrophobicContact CE2-CG1 3.59Å; Y178-E207 HydrophobicContact CD2-CG 4.36Å; Y178-E207 HydrophobicContact CE2-CG 3.56Å; Y178-E207 VanDerWaalsContact CE2-OE1 3.28Å; Y178-E207 WeakPolarHBondContact CE2-OE1 3.35Å; Y178-E207 PolarHBondContact OH-OE1 3.29Å; Y178-L213 HydrophobicContact CD1-CB 4.46Å; Y178-L213 HydrophobicContact CD1-CD1 4.42Å; Y178-L213 HydrophobicContact CD1-CD2 4.24Å; Y178-L213 HydrophobicContact CD2-CD1 4.13Å; Y178-L213 HydrophobicContact CE1-CB 4.37Å; Y178-L213 HydrophobicContact CG-CD1 4.02Å; Y178-L213 HydrophobicContact CG-CD2 4.38Å; Y178-P214 WeakPolarHBondContact CE1-O 3.45Å; Y178-P214 PolarHBondContact OH-O 3.02Å; Y178-R216 HydrophobicContact CE2-CG 4.32Å; Y178-R216 WeakPolarHBondContact OH-CG 3.34Å; Y178-R216 PolarHBondContact OH-N 3.33Å; Y178-L219 HydrophobicContact CD1-CD2 3.5Å; Y178-L219 HydrophobicContact CE1-CD2 3.57Å |
| 179 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L77 L175 L176 L177 L183 L219 L223 | L77-A179 HydrophobicContact CD1-CB 3.5Å; L77-A179 HydrophobicContact CD2-CB 4.04Å; L77-A179 HydrophobicContact CG-CB 4.44Å; L175-A179 WeakPolarHBondContact O-CB 3.3Å; L175-A179 PolarHBondContact O-N 2.72Å; L176-A179 PolarHBondContact O-N 2.51Å; L177-A179 PolarHBondContact O-N 2.66Å; A179-L183 WeakPolarHBondContact O-CB 3.01Å; A179-L183 PolarHBondContact O-N 3.49Å; A179-L219 HydrophobicContact CB-CD1 4.45Å; A179-L219 HydrophobicContact CB-CD2 3.81Å; A179-L219 HydrophobicContact CB-CG 4.43Å; A179-L223 HydrophobicContact CB-CD1 4.07Å |
| 180 | T | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -55.3 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | V34 D35 V38 A154 L176 L177 Y178 V182 L183 D184 | V34-T180 HydrophobicContact CG1-CG2 4.18Å; V34-T180 WeakPolarHBondContact CG1-OG1 3.39Å; D35-T180 VanDerWaalsContact CA-CG2 3.41Å; D35-T180 HydrophobicContact CB-CG2 3.81Å; V38-T180 HydrophobicContact CB-CG2 4.47Å; V38-T180 WeakPolarHBondContact CB-OG1 3.33Å; V38-T180 WeakPolarHBondContact CG1-OG1 3.49Å; V38-T180 VanDerWaalsContact CG2-OG1 3.3Å; V38-T180 WeakPolarHBondContact CG2-OG1 3.49Å; A154-T180 HydrophobicContact CB-CG2 3.59Å; L176-T180 WeakPolarHBondContact O-CB 3.44Å; L176-T180 PolarHBondContact O-N 2.71Å; L176-T180 VanDerWaalsContact O-N 3.15Å; L176-T180 PolarHBondContact O-OG1 3.1Å; L177-T180 WeakPolarHBondContact O-CB 3.3Å; L177-T180 PolarHBondContact O-N 2.94Å; Y178-T180 VanDerWaalsContact C-N 3.26Å; Y178-T180 PolarHBondContact O-N 3.38Å; T180-V182 VanDerWaalsContact C-N 3.27Å; T180-V182 PolarHBondContact O-N 3.34Å; T180-L183 WeakPolarHBondContact O-CA 3.42Å; T180-L183 WeakPolarHBondContact O-CB 3.41Å; T180-L183 PolarHBondContact O-N 3.17Å; T180-D184 PolarHBondContact O-N 2.81Å |
| 181 | V | 98.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | -179.8 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | A154 T155 L177 Y178 L183 C185 M188 D199 V203 | A154-V181 HydrophobicContact CB-CG2 3.88Å; T155-V181 VanDerWaalsContact OG1-CG1 3.25Å; T155-V181 WeakPolarHBondContact OG1-CG1 3.29Å; T155-V181 WeakPolarHBondContact OG1-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.19Å; L177-V181 PolarHBondContact O-N 3.08Å; L177-V181 VanDerWaalsContact O-N 3.1Å; Y178-V181 PolarHBondContact O-N 2.67Å; V181-L183 VanDerWaalsContact C-N 3.33Å; V181-L183 PolarHBondContact O-N 3.19Å; V181-C185 WeakPolarHBondContact O-CB 3.38Å; V181-C185 PolarHBondContact O-N 3.34Å; V181-C185 PolarHBondContact O-SG 2.59Å; V181-M188 HydrophobicContact CG1-CE 3.99Å; V181-M188 WeakPolarHBondContact O-CE 3.45Å; V181-D199 HydrophobicContact CG1-CB 4.03Å; V181-V203 HydrophobicContact CB-CG2 3.9Å; V181-V203 HydrophobicContact CG1-CG2 3.56Å |
| 182 | V | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.5 | 167.6 | 0 | 0 | 0 | 0 | 112.6 | Y178 T180 V186 N187 M188 R216 F220 | Y178-V182 HydrophobicContact CD1-CG2 4.28Å; Y178-V182 HydrophobicContact CD2-CG2 4.23Å; Y178-V182 HydrophobicContact CE1-CG2 4.03Å; Y178-V182 HydrophobicContact CE2-CG2 3.98Å; Y178-V182 HydrophobicContact CG-CG2 4.39Å; Y178-V182 VanDerWaalsContact O-CB 3.31Å; Y178-V182 WeakPolarHBondContact O-CB 3.33Å; Y178-V182 VanDerWaalsContact O-CG2 3.23Å; Y178-V182 WeakPolarHBondContact O-CG2 3.48Å; Y178-V182 PolarHBondContact O-N 3.12Å; T180-V182 VanDerWaalsContact C-N 3.27Å; T180-V182 PolarHBondContact O-N 3.34Å; V182-V186 PolarHBondContact O-N 3.17Å; V182-N187 PolarHBondContact O-N 3.02Å; V182-M188 HydrophobicContact CB-CE 4.38Å; V182-M188 HydrophobicContact CG2-CE 3.91Å; V182-R216 HydrophobicContact CG1-CB 4.33Å; V182-R216 WeakPolarHBondContact CG1-O 3.33Å; V182-R216 HydrophobicContact CG2-CB 4.31Å; V182-R216 HydrophobicContact CG2-CG 4.15Å; V182-F220 HydrophobicContact CG1-CB 3.9Å |
| 183 | L | 95.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69 | -52.7 | 178.6 | -175.6 | 59.3 | 0 | 0 | 0 | 111.7 | V34 A179 T180 V181 V186 F220 L223 Q224 | V34-L183 HydrophobicContact CB-CD2 4.04Å; V34-L183 HydrophobicContact CG1-CD2 4.39Å; V34-L183 HydrophobicContact CG2-CD2 3.82Å; A179-L183 WeakPolarHBondContact O-CB 3.01Å; A179-L183 PolarHBondContact O-N 3.49Å; T180-L183 WeakPolarHBondContact O-CA 3.42Å; T180-L183 WeakPolarHBondContact O-CB 3.41Å; T180-L183 PolarHBondContact O-N 3.17Å; V181-L183 VanDerWaalsContact C-N 3.33Å; V181-L183 PolarHBondContact O-N 3.19Å; L183-V186 PolarHBondContact O-N 2.89Å; L183-V186 VanDerWaalsContact O-N 3.14Å; L183-F220 HydrophobicContact CD1-CD2 4.22Å; L183-F220 HydrophobicContact CD1-CE2 4.2Å; L183-L223 HydrophobicContact CB-CD1 4.24Å; L183-L223 HydrophobicContact CD1-CB 3.98Å; L183-L223 HydrophobicContact CD2-CB 4.48Å; L183-Q224 HydrophobicContact CD1-CG 4.4Å |
| 184 | D | 94.6 | Very high | 91.8 | Very high | 32 Ų | 32 | 25.3 Ų | 25.3 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.7 | -33 | -173.1 | -61.4 | -32.4 | 0 | 0 | 0 | 112.8 | D35 G151 S152 T180 V186 K194 | D35-D184 WeakPolarHBondContact CB-OD2 3.25Å; G151-D184 WeakPolarHBondContact O-CB 3.48Å; S152-D184 PolarHBondContact OG-OD2 3.01Å; T180-D184 PolarHBondContact O-N 2.81Å; D184-V186 PolarHBondContact O-N 3.21Å; D184-K194 WeakPolarHBondContact O-CD 3.39Å |
| 185 | C | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 9.3 | 173 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | V181 N187 M188 A189 V195 | V181-C185 WeakPolarHBondContact O-CB 3.38Å; V181-C185 PolarHBondContact O-N 3.34Å; V181-C185 PolarHBondContact O-SG 2.59Å; C185-N187 PolarHBondContact O-N 3.09Å; C185-M188 HydrophobicContact CB-CE 3.73Å; C185-M188 HydrophobicContact CB-SD 3.64Å; C185-M188 WeakPolarHBondContact O-CA 3.49Å; C185-M188 PolarHBondContact O-N 3.41Å; C185-A189 PolarHBondContact O-N 2.85Å; C185-V195 HydrophobicContact CB-CB 4.14Å; C185-V195 HydrophobicContact CB-CG2 4.23Å |
| 186 | V | 91.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 55.4 | 175.4 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | V182 L183 D184 M188 A189 A192 K194 F220 P394 P400 | V182-V186 PolarHBondContact O-N 3.17Å; L183-V186 PolarHBondContact O-N 2.89Å; L183-V186 VanDerWaalsContact O-N 3.14Å; D184-V186 PolarHBondContact O-N 3.21Å; V186-M188 PolarHBondContact O-N 3.2Å; V186-A189 WeakPolarHBondContact O-CB 3.4Å; V186-A189 PolarHBondContact O-N 3.07Å; V186-A192 HydrophobicContact CB-CB 3.81Å; V186-A192 HydrophobicContact CG1-CB 4.09Å; V186-A192 HydrophobicContact CG2-CB 3.91Å; V186-K194 HydrophobicContact CG2-CD 4.24Å; V186-F220 HydrophobicContact CB-CE2 4.49Å; V186-F220 HydrophobicContact CB-CZ 4.29Å; V186-F220 HydrophobicContact CG1-CE1 4.25Å; V186-F220 HydrophobicContact CG1-CE2 4.26Å; V186-F220 HydrophobicContact CG1-CZ 3.6Å; V186-P394 HydrophobicContact CG1-CG 4.13Å; V186-P394 HydrophobicContact CG2-CG 4.21Å; V186-P400 HydrophobicContact CG1-CG 3.8Å |
| 187 | N | 92.9 | Very high | 91.2 | Very high | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.9 | -176.1 | -172.5 | 35.9 | 0 | 0 | 0 | 114 | V182 C185 A189 R216 G217 F220 | V182-N187 PolarHBondContact O-N 3.02Å; C185-N187 PolarHBondContact O-N 3.09Å; N187-A189 PolarHBondContact O-N 2.89Å; N187-R216 WeakPolarHBondContact OD1-CB 3.47Å; N187-G217 WeakPolarHBondContact OD1-CA 3.41Å; N187-G217 PolarHBondContact OD1-N 2.83Å; N187-G217 VanDerWaalsContact OD1-N 3.13Å; N187-F220 HydrophobicContact CB-CB 3.95Å; N187-F220 HydrophobicContact CB-CD1 3.72Å; N187-F220 HydrophobicContact CB-CD2 4.3Å; N187-F220 HydrophobicContact CB-CE1 4.25Å; N187-F220 HydrophobicContact CB-CG 3.74Å |
| 188 | M | 91.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 26.5 | -172.9 | -47.3 | -60.9 | 140.2 | 0 | 0 | 113.3 | V181 V182 C185 V186 A190 V195 V203 | V181-M188 HydrophobicContact CG1-CE 3.99Å; V181-M188 WeakPolarHBondContact O-CE 3.45Å; V182-M188 HydrophobicContact CB-CE 4.38Å; V182-M188 HydrophobicContact CG2-CE 3.91Å; C185-M188 HydrophobicContact CB-CE 3.73Å; C185-M188 HydrophobicContact CB-SD 3.64Å; C185-M188 WeakPolarHBondContact O-CA 3.49Å; C185-M188 PolarHBondContact O-N 3.41Å; V186-M188 PolarHBondContact O-N 3.2Å; M188-A190 PolarHBondContact O-N 2.68Å; M188-A190 VanDerWaalsContact O-N 3.12Å; M188-V195 HydrophobicContact CB-CG2 4.24Å; M188-V195 HydrophobicContact SD-CG2 3.71Å; M188-V203 HydrophobicContact CE-CB 4.33Å; M188-V203 HydrophobicContact CE-CG1 4.13Å; M188-V203 HydrophobicContact CE-CG2 3.54Å; M188-V203 HydrophobicContact SD-CG2 4.21Å |
| 189 | A | 86.9 | Confident | 91.1 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | trans | -71 | 108.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C185 V186 N187 A191 A192 | C185-A189 PolarHBondContact O-N 2.85Å; V186-A189 WeakPolarHBondContact O-CB 3.4Å; V186-A189 PolarHBondContact O-N 3.07Å; N187-A189 PolarHBondContact O-N 2.89Å; A189-A191 PolarHBondContact O-N 2.57Å; A189-A191 VanDerWaalsContact O-N 3.16Å; A189-A192 HydrophobicContact CB-CB 4.36Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.33Å | ||
| 190 | A | 79.9 | Confident | 91.1 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 62% | 0.62 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -56 | -34.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M188 A192 G193 | M188-A190 PolarHBondContact O-N 2.68Å; M188-A190 VanDerWaalsContact O-N 3.12Å; A190-A192 PolarHBondContact O-N 3.36Å; A190-G193 PolarHBondContact O-N 3.45Å |
| 191 | A | 77.6 | Confident | 91.1 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 78% | 0.777 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -62.5 | -22 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A189 G193 | A189-A191 PolarHBondContact O-N 2.57Å; A189-A191 VanDerWaalsContact O-N 3.16Å; A191-G193 VanDerWaalsContact C-N 3.26Å; A191-G193 PolarHBondContact O-N 2.86Å |
| 192 | A | 75.9 | Confident | 91.1 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -77.1 | -12 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | V186 A189 A190 K194 | V186-A192 HydrophobicContact CB-CB 3.81Å; V186-A192 HydrophobicContact CG1-CB 4.09Å; V186-A192 HydrophobicContact CG2-CB 3.91Å; A189-A192 HydrophobicContact CB-CB 4.36Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.33Å; A190-A192 PolarHBondContact O-N 3.36Å; A192-K194 PolarHBondContact O-N 3.26Å; A192-K194 VanDerWaalsContact O-N 3.09Å |
| 193 | G | 81.3 | Confident | 91.1 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 68.1 | 5.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A190 A191 | A190-G193 PolarHBondContact O-N 3.45Å; A191-G193 VanDerWaalsContact C-N 3.26Å; A191-G193 PolarHBondContact O-N 2.86Å |
| 194 | K | 82.4 | Confident | 91.3 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -95.7 | -24.5 | -178 | -68.4 | -166.7 | 176.4 | -171.4 | 0 | 114.7 | G151 D184 V186 A192 | G151-K194 VanDerWaalsContact CA-O 3.23Å; G151-K194 WeakPolarHBondContact CA-O 3.26Å; D184-K194 WeakPolarHBondContact O-CD 3.39Å; V186-K194 HydrophobicContact CG2-CD 4.24Å; A192-K194 PolarHBondContact O-N 3.26Å; A192-K194 VanDerWaalsContact O-N 3.09Å | ||
| 195 | V | 91.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | trans | -82.4 | 136.1 | -173.2 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | C185 M188 D199 | C185-V195 HydrophobicContact CB-CB 4.14Å; C185-V195 HydrophobicContact CB-CG2 4.23Å; M188-V195 HydrophobicContact CB-CG2 4.24Å; M188-V195 HydrophobicContact SD-CG2 3.71Å; V195-D199 HydrophobicContact CG2-CB 4.14Å | ||
| 196 | T | 95.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | trans | -109.8 | 165.3 | 172.7 | 75 | 0 | 0 | 0 | 0 | 112.1 | M149 K198 D199 S200 | M149-T196 WeakPolarHBondContact O-CG2 3.37Å; T196-K198 PolarHBondContact O-N 2.77Å; T196-K198 PolarHBondContact OG1-N 2.84Å; T196-D199 WeakPolarHBondContact CA-OD2 3.29Å; T196-D199 VanDerWaalsContact CB-OD2 3.26Å; T196-D199 WeakPolarHBondContact CB-OD2 3.44Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.25Å; T196-D199 PolarHBondContact N-OD2 3.34Å; T196-D199 PolarHBondContact O-N 3.15Å; T196-D199 PolarHBondContact OG1-N 3.24Å; T196-D199 PolarHBondContact OG1-OD2 3.28Å; T196-S200 PolarHBondContact O-N 3.37Å; T196-S200 VanDerWaalsContact O-N 3.16Å; T196-S200 PolarHBondContact O-OG 3.01Å | ||
| 197 | P | 96.6 | Very high | 92 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 76% | 0.76 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.6 | -32.2 | 172.2 | -26.3 | 36.1 | 0 | 0 | 0 | 113.3 | S200 C201 | P197-S200 PolarHBondContact O-N 2.87Å; P197-C201 WeakPolarHBondContact O-CB 3.33Å; P197-C201 PolarHBondContact O-N 3.36Å |
| 198 | K | 97.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 179.2 | -172.8 | 177.7 | -86.8 | -167.8 | 0 | 111.2 | E148 V150 T155 L156 E159 T196 S200 C201 Y202 | E148-K198 IonicContact OE1-NZ 3.86Å; E148-K198 PolarHBondContact OE1-NZ 3.36Å; E148-K198 WeakPolarHBondContact OE2-CE 3.44Å; E148-K198 IonicContact OE2-NZ 3.34Å; E148-K198 PolarHBondContact OE2-NZ 3.37Å; V150-K198 HydrophobicContact CG1-CB 4.13Å; V150-K198 HydrophobicContact CG1-CD 3.93Å; V150-K198 HydrophobicContact CG1-CG 4.39Å; T155-K198 HydrophobicContact CG2-CB 4.47Å; T155-K198 HydrophobicContact CG2-CD 4.27Å; T155-K198 HydrophobicContact CG2-CG 3.85Å; L156-K198 HydrophobicContact CD2-CD 4.35Å; E159-K198 IonicContact OE1-NZ 2.65Å; E159-K198 WeakPolarHBondContact OE2-CE 3.46Å; E159-K198 IonicContact OE2-NZ 3.41Å; E159-K198 PolarHBondContact OE2-NZ 2.97Å; T196-K198 PolarHBondContact O-N 2.77Å; T196-K198 PolarHBondContact OG1-N 2.84Å; K198-S200 VanDerWaalsContact C-N 3.33Å; K198-S200 PolarHBondContact O-N 2.94Å; K198-C201 WeakPolarHBondContact O-CB 3.48Å; K198-C201 PolarHBondContact O-N 3.42Å; K198-Y202 HydrophobicContact CD-CE2 4.13Å; K198-Y202 HydrophobicContact CG-CD2 3.73Å; K198-Y202 HydrophobicContact CG-CE2 3.64Å; K198-Y202 WeakPolarHBondContact O-CD2 3.19Å; K198-Y202 PolarHBondContact O-N 3.17Å; K198-Y202 VanDerWaalsContact O-N 3.09Å |
| 199 | D | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 174.1 | -56.2 | -60.1 | 0 | 0 | 0 | 110.5 | G151 T155 V181 V195 T196 C201 Y202 V203 | G151-D199 PolarHBondContact N-OD1 2.92Å; G151-D199 PolarHBondContact N-OD2 3.43Å; T155-D199 VanDerWaalsContact CB-OD1 3.29Å; T155-D199 WeakPolarHBondContact CB-OD1 3.41Å; T155-D199 WeakPolarHBondContact CG2-OD1 3.44Å; T155-D199 PolarHBondContact OG1-OD1 3.17Å; V181-D199 HydrophobicContact CG1-CB 4.03Å; V195-D199 HydrophobicContact CG2-CB 4.14Å; T196-D199 WeakPolarHBondContact CA-OD2 3.29Å; T196-D199 VanDerWaalsContact CB-OD2 3.26Å; T196-D199 WeakPolarHBondContact CB-OD2 3.44Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.25Å; T196-D199 PolarHBondContact N-OD2 3.34Å; T196-D199 PolarHBondContact O-N 3.15Å; T196-D199 PolarHBondContact OG1-N 3.24Å; T196-D199 PolarHBondContact OG1-OD2 3.28Å; D199-C201 VanDerWaalsContact C-N 3.3Å; D199-C201 PolarHBondContact O-N 3.38Å; D199-Y202 PolarHBondContact O-N 3.4Å; D199-V203 VanDerWaalsContact O-CB 3.31Å; D199-V203 WeakPolarHBondContact O-CB 3.47Å; D199-V203 WeakPolarHBondContact O-CG2 3.39Å; D199-V203 PolarHBondContact O-N 3.34Å |
| 200 | S | 97.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 179.9 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | T196 P197 K198 A204 | T196-S200 PolarHBondContact O-N 3.37Å; T196-S200 VanDerWaalsContact O-N 3.16Å; T196-S200 PolarHBondContact O-OG 3.01Å; P197-S200 PolarHBondContact O-N 2.87Å; K198-S200 VanDerWaalsContact C-N 3.33Å; K198-S200 PolarHBondContact O-N 2.94Å; S200-A204 VanDerWaalsContact O-CB 3.32Å; S200-A204 WeakPolarHBondContact O-CB 3.22Å; S200-A204 PolarHBondContact O-N 2.9Å; S200-A204 VanDerWaalsContact O-N 3.1Å |
| 201 | C | 98.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 55 Ų | 55 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -52.7 | 178.5 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | P197 K198 D199 A204 E205 | P197-C201 WeakPolarHBondContact O-CB 3.33Å; P197-C201 PolarHBondContact O-N 3.36Å; K198-C201 WeakPolarHBondContact O-CB 3.48Å; K198-C201 PolarHBondContact O-N 3.42Å; D199-C201 VanDerWaalsContact C-N 3.3Å; D199-C201 PolarHBondContact O-N 3.38Å; C201-A204 PolarHBondContact O-N 2.96Å; C201-E205 PolarHBondContact O-N 3.22Å |
| 202 | Y | 98.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.1 | -30.7 | -176 | -74.2 | -59.8 | 0 | 0 | 0 | 113.3 | T155 T158 E159 I162 K163 K198 D199 E205 L206 | T155-Y202 HydrophobicContact CG2-CD2 3.96Å; T158-Y202 HydrophobicContact CG2-CD1 4.3Å; T158-Y202 HydrophobicContact CG2-CG 4.31Å; E159-Y202 HydrophobicContact CB-CD2 4.06Å; E159-Y202 HydrophobicContact CB-CE1 4.09Å; E159-Y202 HydrophobicContact CB-CE2 3.41Å; E159-Y202 VanDerWaalsContact CB-CE2 3.41Å; E159-Y202 VanDerWaalsContact CB-CZ 3.43Å; E159-Y202 HydrophobicContact CG-CE1 4.47Å; E159-Y202 HydrophobicContact CG-CE2 3.81Å; E159-Y202 WeakPolarHBondContact CG-OH 3.27Å; E159-Y202 PolarHBondContact OE1-OH 3.36Å; I162-Y202 HydrophobicContact CB-CE1 4.46Å; I162-Y202 HydrophobicContact CD1-CD1 3.74Å; I162-Y202 HydrophobicContact CD1-CE1 4.21Å; I162-Y202 HydrophobicContact CG2-CE1 4.35Å; K163-Y202 WeakPolarHBondContact CE-OH 3.41Å; K198-Y202 HydrophobicContact CD-CE2 4.13Å; K198-Y202 HydrophobicContact CG-CD2 3.73Å; K198-Y202 HydrophobicContact CG-CE2 3.64Å; K198-Y202 WeakPolarHBondContact O-CD2 3.19Å; K198-Y202 PolarHBondContact O-N 3.17Å; K198-Y202 VanDerWaalsContact O-N 3.09Å; D199-Y202 PolarHBondContact O-N 3.4Å; Y202-E205 PolarHBondContact O-N 3.33Å; Y202-L206 WeakPolarHBondContact O-CG 3.33Å; Y202-L206 PolarHBondContact O-N 3.32Å |
| 203 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 170 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | Y178 V181 M188 D199 E205 L206 E207 | Y178-V203 HydrophobicContact CD2-CG1 3.96Å; Y178-V203 HydrophobicContact CE2-CG1 3.59Å; V181-V203 HydrophobicContact CB-CG2 3.9Å; V181-V203 HydrophobicContact CG1-CG2 3.56Å; M188-V203 HydrophobicContact CE-CB 4.33Å; M188-V203 HydrophobicContact CE-CG1 4.13Å; M188-V203 HydrophobicContact CE-CG2 3.54Å; M188-V203 HydrophobicContact SD-CG2 4.21Å; D199-V203 VanDerWaalsContact O-CB 3.31Å; D199-V203 WeakPolarHBondContact O-CB 3.47Å; D199-V203 WeakPolarHBondContact O-CG2 3.39Å; D199-V203 PolarHBondContact O-N 3.34Å; V203-E205 VanDerWaalsContact C-N 3.3Å; V203-E205 PolarHBondContact O-N 3.44Å; V203-L206 PolarHBondContact O-N 2.89Å; V203-E207 WeakPolarHBondContact O-CG 3.14Å; V203-E207 PolarHBondContact O-N 3.32Å |
| 204 | A | 98.2 | Very high | 96.7 | Very high | 45 Ų | 45 | 51 Ų | 51 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S200 C201 E207 A208 | S200-A204 VanDerWaalsContact O-CB 3.32Å; S200-A204 WeakPolarHBondContact O-CB 3.22Å; S200-A204 PolarHBondContact O-N 2.9Å; S200-A204 VanDerWaalsContact O-N 3.1Å; C201-A204 PolarHBondContact O-N 2.96Å; A204-E207 PolarHBondContact O-N 2.87Å; A204-A208 WeakPolarHBondContact O-CB 3.44Å; A204-A208 PolarHBondContact O-N 3.44Å |
| 205 | E | 98.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 176.5 | -171.5 | 161.8 | 176.8 | 0 | 0 | 112.5 | I162 C201 Y202 V203 A208 R209 | I162-E205 HydrophobicContact CD1-CB 4.35Å; I162-E205 HydrophobicContact CD1-CG 3.95Å; I162-E205 VanDerWaalsContact CG2-OE1 3.29Å; I162-E205 WeakPolarHBondContact CG2-OE1 3.49Å; C201-E205 PolarHBondContact O-N 3.22Å; Y202-E205 PolarHBondContact O-N 3.33Å; V203-E205 VanDerWaalsContact C-N 3.3Å; V203-E205 PolarHBondContact O-N 3.44Å; E205-A208 PolarHBondContact O-N 3.14Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 WeakPolarHBondContact O-CG 3.38Å; E205-R209 PolarHBondContact O-N 3.43Å; E205-R209 IonicContact OE1-CZ 3.7Å; E205-R209 VanDerWaalsContact OE1-CZ 3.3Å; E205-R209 IonicContact OE1-NE 3.59Å; E205-R209 PolarHBondContact OE1-NE 3.2Å; E205-R209 IonicContact OE1-NH2 3.27Å; E205-R209 PolarHBondContact OE1-NH2 2.77Å |
| 206 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 171.9 | -71.2 | 174.5 | 0 | 0 | 0 | 111.3 | T158 L169 A174 L177 Y202 V203 A208 R209 F210 L213 | T158-L206 HydrophobicContact CG2-CD1 3.94Å; T158-L206 HydrophobicContact CG2-CD2 4.17Å; T158-L206 HydrophobicContact CG2-CG 4.04Å; L169-L206 HydrophobicContact CD1-CD2 4.44Å; A174-L206 HydrophobicContact CB-CD2 4.12Å; L177-L206 HydrophobicContact CB-CD1 4.11Å; Y202-L206 WeakPolarHBondContact O-CG 3.33Å; Y202-L206 PolarHBondContact O-N 3.32Å; V203-L206 PolarHBondContact O-N 2.89Å; L206-A208 PolarHBondContact O-N 3.27Å; L206-R209 PolarHBondContact O-N 3.42Å; L206-F210 WeakPolarHBondContact O-CB 3.46Å; L206-F210 WeakPolarHBondContact O-CD2 3.28Å; L206-F210 PolarHBondContact O-N 3.15Å; L206-L213 HydrophobicContact CB-CD1 4.06Å |
| 207 | E | 98.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.7 | -71.9 | 171 | 161.9 | 0 | 0 | 112.5 | Y178 V203 A204 F210 R216 | Y178-E207 HydrophobicContact CD2-CG 4.36Å; Y178-E207 HydrophobicContact CE2-CG 3.56Å; Y178-E207 VanDerWaalsContact CE2-OE1 3.28Å; Y178-E207 WeakPolarHBondContact CE2-OE1 3.35Å; Y178-E207 PolarHBondContact OH-OE1 3.29Å; V203-E207 WeakPolarHBondContact O-CG 3.14Å; V203-E207 PolarHBondContact O-N 3.32Å; A204-E207 PolarHBondContact O-N 2.87Å; E207-F210 CarbonylContact O-C 3.58Å; E207-F210 PolarHBondContact O-N 2.9Å; E207-R216 WeakPolarHBondContact OE1-CG 3.38Å; E207-R216 IonicContact OE1-CZ 3.44Å; E207-R216 IonicContact OE1-NE 2.72Å; E207-R216 PolarHBondContact OE1-NE 3.5Å; E207-R216 IonicContact OE1-NH2 2.81Å; E207-R216 PolarHBondContact OE1-NH2 3.18Å; E207-R216 IonicContact OE2-CZ 3.49Å; E207-R216 IonicContact OE2-NE 2.73Å; E207-R216 IonicContact OE2-NH2 3.42Å; E207-R216 PolarHBondContact OE2-NH2 3.01Å |
| 208 | A | 98.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A204 E205 L206 | A204-A208 WeakPolarHBondContact O-CB 3.44Å; A204-A208 PolarHBondContact O-N 3.44Å; E205-A208 PolarHBondContact O-N 3.14Å; L206-A208 PolarHBondContact O-N 3.27Å |
| 209 | R | 98.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78 | -29.9 | 179.5 | -69.2 | 174.6 | -178.1 | -127.9 | 5.5 | 112.8 | P166 E205 L206 | P166-R209 VanDerWaalsContact CB-NH1 3.32Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 WeakPolarHBondContact O-CG 3.38Å; E205-R209 PolarHBondContact O-N 3.43Å; E205-R209 IonicContact OE1-CZ 3.7Å; E205-R209 VanDerWaalsContact OE1-CZ 3.3Å; E205-R209 IonicContact OE1-NE 3.59Å; E205-R209 PolarHBondContact OE1-NE 3.2Å; E205-R209 IonicContact OE1-NH2 3.27Å; E205-R209 PolarHBondContact OE1-NH2 2.77Å; L206-R209 PolarHBondContact O-N 3.42Å |
| 210 | F | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | trans | -129.3 | 76.6 | -175 | -58.9 | -81.5 | 0 | 0 | 0 | 111.5 | L169 D170 A174 L206 E207 S212 L213 | L169-F210 HydrophobicContact CB-CE2 3.93Å; L169-F210 HydrophobicContact CB-CZ 3.69Å; D170-F210 VanDerWaalsContact C-CE1 3.43Å; A174-F210 HydrophobicContact CB-CB 4.3Å; A174-F210 HydrophobicContact CB-CD1 4.15Å; A174-F210 HydrophobicContact CB-CD2 3.34Å; A174-F210 HydrophobicContact CB-CE1 4.36Å; A174-F210 HydrophobicContact CB-CE2 3.59Å; A174-F210 HydrophobicContact CB-CG 3.66Å; A174-F210 HydrophobicContact CB-CZ 4.11Å; L206-F210 WeakPolarHBondContact O-CB 3.46Å; L206-F210 WeakPolarHBondContact O-CD2 3.28Å; L206-F210 PolarHBondContact O-N 3.15Å; E207-F210 CarbonylContact O-C 3.58Å; E207-F210 PolarHBondContact O-N 2.9Å; F210-S212 PolarHBondContact O-N 3.29Å; F210-L213 HydrophobicContact CB-CD1 3.85Å; F210-L213 HydrophobicContact CB-CG 3.83Å; F210-L213 WeakPolarHBondContact O-CB 3.29Å; F210-L213 VanDerWaalsContact O-CG 3.28Å; F210-L213 WeakPolarHBondContact O-CG 3.27Å; F210-L213 PolarHBondContact O-N 3.38Å | ||
| 211 | P | 96.8 | Very high | 97 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 75% | 0.753 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.5 | -174.5 | -23.9 | 34.8 | 0 | 0 | 0 | 115.7 | L213 | P211-L213 VanDerWaalsContact C-N 3.34Š|
| 212 | S | 96.9 | Very high | 96.9 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 60% | 0.601 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.1 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | Q171 F210 | Q171-S212 PolarHBondContact NE2-OG 3.17Å; Q171-S212 VanDerWaalsContact NE2-OG 3.16Å; Q171-S212 PolarHBondContact OE1-OG 3.09Å; F210-S212 PolarHBondContact O-N 3.29Å |
| 213 | L | 98.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -57.7 | 140.7 | 168 | -73.1 | 172.7 | 0 | 0 | 0 | 110.2 | L175 Y178 L206 F210 P211 | L175-L213 HydrophobicContact CB-CD2 3.96Å; L175-L213 HydrophobicContact CD1-CD2 4.15Å; Y178-L213 HydrophobicContact CD1-CB 4.46Å; Y178-L213 HydrophobicContact CD1-CD1 4.42Å; Y178-L213 HydrophobicContact CD1-CD2 4.24Å; Y178-L213 HydrophobicContact CD2-CD1 4.13Å; Y178-L213 HydrophobicContact CE1-CB 4.37Å; Y178-L213 HydrophobicContact CG-CD1 4.02Å; Y178-L213 HydrophobicContact CG-CD2 4.38Å; L206-L213 HydrophobicContact CB-CD1 4.06Å; F210-L213 HydrophobicContact CB-CD1 3.85Å; F210-L213 HydrophobicContact CB-CG 3.83Å; F210-L213 WeakPolarHBondContact O-CB 3.29Å; F210-L213 VanDerWaalsContact O-CG 3.28Å; F210-L213 WeakPolarHBondContact O-CG 3.27Å; F210-L213 PolarHBondContact O-N 3.38Å; P211-L213 VanDerWaalsContact C-N 3.34Å |
| 214 | P | 97.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 156.1 | -177.5 | 31.4 | -36.6 | 0 | 0 | 0 | 111.1 | L175 Y178 R216 L219 | L175-P214 HydrophobicContact CD1-CG 4.1Å; Y178-P214 WeakPolarHBondContact CE1-O 3.45Å; Y178-P214 PolarHBondContact OH-O 3.02Å; P214-R216 PolarHBondContact O-N 2.91Å; P214-L219 HydrophobicContact CG-CB 4.05Å; P214-L219 HydrophobicContact CG-CD1 4.05Å; P214-L219 HydrophobicContact CG-CD2 3.91Å; P214-L219 HydrophobicContact CG-CG 4.23Å |
| 215 | P | 97.4 | Very high | 96 | Very high | 98 Ų | 98 | 56 Ų | 56 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 133.7 | 175.2 | -23.4 | 33.4 | 0 | 0 | 0 | 112.1 | G217 A218 L219 | P215-G217 VanDerWaalsContact C-N 3.31Å; P215-G217 PolarHBondContact O-N 2.93Å; P215-A218 HydrophobicContact CB-CB 4.44Å; P215-A218 PolarHBondContact O-N 3.36Å; P215-A218 VanDerWaalsContact O-N 3.13Å; P215-L219 PolarHBondContact O-N 3.23Å |
| 216 | R | 95.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -45.8 | -51.1 | -177.1 | -57.6 | 176.1 | -172.1 | -174.6 | -0.9 | 113.1 | Y178 V182 N187 E207 P214 A218 L219 F220 | Y178-R216 HydrophobicContact CE2-CG 4.32Å; Y178-R216 WeakPolarHBondContact OH-CG 3.34Å; Y178-R216 PolarHBondContact OH-N 3.33Å; V182-R216 HydrophobicContact CG1-CB 4.33Å; V182-R216 WeakPolarHBondContact CG1-O 3.33Å; V182-R216 HydrophobicContact CG2-CB 4.31Å; V182-R216 HydrophobicContact CG2-CG 4.15Å; N187-R216 WeakPolarHBondContact OD1-CB 3.47Å; E207-R216 WeakPolarHBondContact OE1-CG 3.38Å; E207-R216 IonicContact OE1-CZ 3.44Å; E207-R216 IonicContact OE1-NE 2.72Å; E207-R216 PolarHBondContact OE1-NE 3.5Å; E207-R216 IonicContact OE1-NH2 2.81Å; E207-R216 PolarHBondContact OE1-NH2 3.18Å; E207-R216 IonicContact OE2-CZ 3.49Å; E207-R216 IonicContact OE2-NE 2.73Å; E207-R216 IonicContact OE2-NH2 3.42Å; E207-R216 PolarHBondContact OE2-NH2 3.01Å; P214-R216 PolarHBondContact O-N 2.91Å; R216-A218 PolarHBondContact O-N 3.12Å; R216-L219 PolarHBondContact O-N 3.49Å; R216-F220 VanDerWaalsContact O-CB 3.29Å; R216-F220 WeakPolarHBondContact O-CB 3.44Å; R216-F220 PolarHBondContact O-N 2.91Å |
| 217 | G | 93.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N187 P215 F220 Q221 | N187-G217 WeakPolarHBondContact OD1-CA 3.41Å; N187-G217 PolarHBondContact OD1-N 2.83Å; N187-G217 VanDerWaalsContact OD1-N 3.13Å; P215-G217 VanDerWaalsContact C-N 3.31Å; P215-G217 PolarHBondContact O-N 2.93Å; G217-F220 PolarHBondContact O-N 3.18Å; G217-Q221 WeakPolarHBondContact O-CB 3.43Å; G217-Q221 WeakPolarHBondContact O-CG 3.46Å; G217-Q221 PolarHBondContact O-N 2.83Å |
| 218 | A | 95.1 | Very high | 95 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | P215 R216 F220 Q221 E222 | P215-A218 HydrophobicContact CB-CB 4.44Å; P215-A218 PolarHBondContact O-N 3.36Å; P215-A218 VanDerWaalsContact O-N 3.13Å; R216-A218 PolarHBondContact O-N 3.12Å; A218-F220 PolarHBondContact O-N 2.88Å; A218-Q221 PolarHBondContact O-N 3.16Å; A218-E222 WeakPolarHBondContact O-CB 3.4Å; A218-E222 VanDerWaalsContact O-CG 3.31Å; A218-E222 WeakPolarHBondContact O-CG 3.3Å; A218-E222 PolarHBondContact O-N 3.03Å |
| 219 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.1 | -178.6 | 62.2 | 0 | 0 | 0 | 112 | Y178 A179 P214 P215 R216 E222 L223 | Y178-L219 HydrophobicContact CD1-CD2 3.5Å; Y178-L219 HydrophobicContact CE1-CD2 3.57Å; A179-L219 HydrophobicContact CB-CD1 4.45Å; A179-L219 HydrophobicContact CB-CD2 3.81Å; A179-L219 HydrophobicContact CB-CG 4.43Å; P214-L219 HydrophobicContact CG-CB 4.05Å; P214-L219 HydrophobicContact CG-CD1 4.05Å; P214-L219 HydrophobicContact CG-CD2 3.91Å; P214-L219 HydrophobicContact CG-CG 4.23Å; P215-L219 PolarHBondContact O-N 3.23Å; R216-L219 PolarHBondContact O-N 3.49Å; L219-E222 PolarHBondContact O-N 2.97Å; L219-L223 HydrophobicContact CD1-CD1 4.08Å; L219-L223 HydrophobicContact CD1-CG 4.37Å; L219-L223 HydrophobicContact CG-CD1 3.92Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 2.77Å |
| 220 | F | 95.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.5 | 177.5 | -114.3 | 0 | 0 | 0 | 112.1 | V182 L183 V186 N187 R216 G217 A218 L223 Q224 P400 | V182-F220 HydrophobicContact CG1-CB 3.9Å; L183-F220 HydrophobicContact CD1-CD2 4.22Å; L183-F220 HydrophobicContact CD1-CE2 4.2Å; V186-F220 HydrophobicContact CB-CE2 4.49Å; V186-F220 HydrophobicContact CB-CZ 4.29Å; V186-F220 HydrophobicContact CG1-CE1 4.25Å; V186-F220 HydrophobicContact CG1-CE2 4.26Å; V186-F220 HydrophobicContact CG1-CZ 3.6Å; N187-F220 HydrophobicContact CB-CB 3.95Å; N187-F220 HydrophobicContact CB-CD1 3.72Å; N187-F220 HydrophobicContact CB-CD2 4.3Å; N187-F220 HydrophobicContact CB-CE1 4.25Å; N187-F220 HydrophobicContact CB-CG 3.74Å; R216-F220 VanDerWaalsContact O-CB 3.29Å; R216-F220 WeakPolarHBondContact O-CB 3.44Å; R216-F220 PolarHBondContact O-N 2.91Å; G217-F220 PolarHBondContact O-N 3.18Å; A218-F220 PolarHBondContact O-N 2.88Å; F220-L223 PolarHBondContact O-N 2.82Å; F220-Q224 HydrophobicContact CD2-CG 4.39Å; F220-Q224 HydrophobicContact CE1-CG 4.4Å; F220-Q224 HydrophobicContact CE2-CG 3.96Å; F220-Q224 HydrophobicContact CZ-CG 3.96Å; F220-Q224 WeakPolarHBondContact O-CB 3.31Å; F220-Q224 WeakPolarHBondContact O-CG 3.35Å; F220-Q224 PolarHBondContact O-N 3.24Å; F220-P400 HydrophobicContact CE1-CG 4.47Å |
| 221 | Q | 92.4 | Very high | 93.9 | Very high | 121 Ų | 121 | 53.7 Ų | 53.7 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 177.4 | -75.3 | 176.9 | -17.8 | 0 | 0 | 112.1 | G217 A218 Q224 K225 | G217-Q221 WeakPolarHBondContact O-CB 3.43Å; G217-Q221 WeakPolarHBondContact O-CG 3.46Å; G217-Q221 PolarHBondContact O-N 2.83Å; A218-Q221 PolarHBondContact O-N 3.16Å; Q221-Q224 PolarHBondContact O-N 2.78Å; Q221-K225 VanDerWaalsContact O-CB 3.27Å; Q221-K225 WeakPolarHBondContact O-CB 3.43Å; Q221-K225 PolarHBondContact O-N 2.85Å |
| 222 | E | 95.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.4 | -75.5 | 176.4 | 179.9 | 0 | 0 | 112.1 | F76 R80 A218 L219 K225 A226 | F76-E222 HydrophobicContact CE1-CB 3.92Å; F76-E222 HydrophobicContact CZ-CB 3.71Å; F76-E222 HydrophobicContact CZ-CG 4.33Å; R80-E222 IonicContact CZ-OE2 3.36Å; R80-E222 IonicContact NE-OE2 3.61Å; R80-E222 IonicContact NH1-OE1 3.97Å; R80-E222 IonicContact NH1-OE2 2.8Å; R80-E222 PolarHBondContact NH1-OE2 3.43Å; R80-E222 IonicContact NH2-OE2 3.23Å; R80-E222 PolarHBondContact NH2-OE2 3.27Å; A218-E222 WeakPolarHBondContact O-CB 3.4Å; A218-E222 VanDerWaalsContact O-CG 3.31Å; A218-E222 WeakPolarHBondContact O-CG 3.3Å; A218-E222 PolarHBondContact O-N 3.03Å; L219-E222 PolarHBondContact O-N 2.97Å; E222-K225 PolarHBondContact O-N 3.03Å; E222-A226 WeakPolarHBondContact O-CB 3.29Å; E222-A226 PolarHBondContact O-N 3Å |
| 223 | L | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.8 | -73.2 | 164.2 | 0 | 0 | 0 | 112.1 | F76 L77 A179 L183 L219 F220 A226 K227 | F76-L223 HydrophobicContact CD1-CD2 3.89Å; F76-L223 HydrophobicContact CE1-CD2 4.28Å; L77-L223 HydrophobicContact CB-CD2 4.11Å; A179-L223 HydrophobicContact CB-CD1 4.07Å; L183-L223 HydrophobicContact CB-CD1 4.24Å; L183-L223 HydrophobicContact CD1-CB 3.98Å; L183-L223 HydrophobicContact CD2-CB 4.48Å; L219-L223 HydrophobicContact CD1-CD1 4.08Å; L219-L223 HydrophobicContact CD1-CG 4.37Å; L219-L223 HydrophobicContact CG-CD1 3.92Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 2.77Å; F220-L223 PolarHBondContact O-N 2.82Å; L223-A226 PolarHBondContact O-N 3.21Å; L223-K227 WeakPolarHBondContact O-CB 3.45Å; L223-K227 PolarHBondContact O-N 2.69Å |
| 224 | Q | 90.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175 | -77.8 | -165.8 | 104.4 | 0 | 0 | 111.7 | L183 F220 Q221 A226 K227 L228 L399 | L183-Q224 HydrophobicContact CD1-CG 4.4Å; F220-Q224 HydrophobicContact CD2-CG 4.39Å; F220-Q224 HydrophobicContact CE1-CG 4.4Å; F220-Q224 HydrophobicContact CE2-CG 3.96Å; F220-Q224 HydrophobicContact CZ-CG 3.96Å; F220-Q224 WeakPolarHBondContact O-CB 3.31Å; F220-Q224 WeakPolarHBondContact O-CG 3.35Å; F220-Q224 PolarHBondContact O-N 3.24Å; Q221-Q224 PolarHBondContact O-N 2.78Å; Q224-A226 VanDerWaalsContact C-N 3.31Å; Q224-A226 PolarHBondContact O-N 2.78Å; Q224-K227 WeakPolarHBondContact O-CB 3.33Å; Q224-K227 PolarHBondContact O-N 3.34Å; Q224-L228 WeakPolarHBondContact O-CG 2.9Å; Q224-L228 PolarHBondContact O-N 3.47Å; Q224-L399 VanDerWaalsContact NE2-CD2 3.34Å |
| 225 | K | 91.6 | Very high | 93.3 | Very high | 165 Ų | 165 | 50.4 Ų | 50.4 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 175.7 | -176.4 | 178.5 | 179.6 | 178.6 | 0 | 110.9 | Q221 E222 K227 L228 D229 | Q221-K225 VanDerWaalsContact O-CB 3.27Å; Q221-K225 WeakPolarHBondContact O-CB 3.43Å; Q221-K225 PolarHBondContact O-N 2.85Å; E222-K225 PolarHBondContact O-N 3.03Å; K225-K227 VanDerWaalsContact C-N 3.33Å; K225-K227 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 2.89Å; K225-D229 PolarHBondContact O-N 2.99Å; K225-D229 VanDerWaalsContact O-N 3.09Å |
| 226 | A | 93.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S72 F76 E222 L223 Q224 L228 D229 | S72-A226 WeakPolarHBondContact CB-O 3.42Å; F76-A226 HydrophobicContact CB-CB 3.47Å; F76-A226 VanDerWaalsContact CB-CB 3.47Å; F76-A226 HydrophobicContact CD1-CB 4.06Å; F76-A226 HydrophobicContact CD2-CB 4.05Å; F76-A226 HydrophobicContact CG-CB 3.59Å; E222-A226 WeakPolarHBondContact O-CB 3.29Å; E222-A226 PolarHBondContact O-N 3Å; L223-A226 PolarHBondContact O-N 3.21Å; Q224-A226 VanDerWaalsContact C-N 3.31Å; Q224-A226 PolarHBondContact O-N 2.78Å; A226-L228 PolarHBondContact O-N 2.86Å; A226-D229 WeakPolarHBondContact O-CB 3.36Å; A226-D229 PolarHBondContact O-N 3Å |
| 227 | K | 89.8 | Confident | 93.1 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 178.3 | -170.5 | 167.2 | -173.9 | 160.6 | 0 | 112.8 | D73 L223 Q224 K225 K241 L389 | D73-K227 HydrophobicContact CB-CB 3.99Å; D73-K227 HydrophobicContact CB-CG 4.49Å; D73-K227 WeakPolarHBondContact OD2-CD 3.37Å; L223-K227 WeakPolarHBondContact O-CB 3.45Å; L223-K227 PolarHBondContact O-N 2.69Å; Q224-K227 WeakPolarHBondContact O-CB 3.33Å; Q224-K227 PolarHBondContact O-N 3.34Å; K225-K227 VanDerWaalsContact C-N 3.33Å; K225-K227 PolarHBondContact O-N 3.29Å; K227-K241 WeakPolarHBondContact O-CE 3.5Å; K227-K241 PolarHBondContact O-NZ 3.43Å; K227-L389 HydrophobicContact CD-CD2 4.36Å; K227-L389 HydrophobicContact CG-CD2 4.28Å |
| 228 | L | 89.6 | Confident | 93.2 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -85.7 | -11.2 | 179.8 | -53.9 | 174.5 | 0 | 0 | 0 | 113.4 | Q224 K225 A226 V230 Y258 F293 L395 | Q224-L228 WeakPolarHBondContact O-CG 2.9Å; Q224-L228 PolarHBondContact O-N 3.47Å; K225-L228 PolarHBondContact O-N 2.89Å; A226-L228 PolarHBondContact O-N 2.86Å; L228-V230 PolarHBondContact O-N 2.86Å; L228-Y258 HydrophobicContact CB-CD1 4.17Å; L228-Y258 HydrophobicContact CB-CG 4.49Å; L228-Y258 HydrophobicContact CD2-CD1 3.44Å; L228-Y258 VanDerWaalsContact CD2-CD1 3.44Å; L228-Y258 HydrophobicContact CD2-CE1 3.25Å; L228-Y258 HydrophobicContact CD2-CG 4.39Å; L228-Y258 HydrophobicContact CG-CD1 4.36Å; L228-Y258 WeakPolarHBondContact O-CB 3.11Å; L228-F293 HydrophobicContact CD1-CE2 3.85Å; L228-F293 HydrophobicContact CD1-CZ 4.36Å; L228-L395 HydrophobicContact CD1-CD1 3.73Å; L228-L395 HydrophobicContact CD2-CD1 3.39Å; L228-L395 HydrophobicContact CG-CD1 4.05Å |
| 229 | D | 90.3 | Very high | 93.2 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | trans | -70.8 | 119.5 | -178.9 | -175.7 | 16.7 | 0 | 0 | 0 | 111.1 | S72 K225 A226 S231 | S72-D229 PolarHBondContact OG-O 3.06Å; K225-D229 PolarHBondContact O-N 2.99Å; K225-D229 VanDerWaalsContact O-N 3.09Å; A226-D229 WeakPolarHBondContact O-CB 3.36Å; A226-D229 PolarHBondContact O-N 3Å; D229-S231 VanDerWaalsContact OD1-CB 3.24Å; D229-S231 WeakPolarHBondContact OD1-CB 3.42Å; D229-S231 PolarHBondContact OD1-N 3.22Å; D229-S231 PolarHBondContact OD1-OG 3.4Å; D229-S231 PolarHBondContact OD2-OG 3.5Å | ||
| 230 | V | 92.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | trans | -113.6 | 1.8 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | L228 G232 L233 M238 K241 Y258 L259 | L228-V230 PolarHBondContact O-N 2.86Å; V230-G232 PolarHBondContact O-N 2.93Å; V230-G232 VanDerWaalsContact O-N 3.07Å; V230-L233 HydrophobicContact CB-CD1 4.33Å; V230-L233 HydrophobicContact CG1-CD1 4.17Å; V230-L233 WeakPolarHBondContact O-CB 3.19Å; V230-L233 PolarHBondContact O-N 3.49Å; V230-M238 HydrophobicContact CB-CG 4.08Å; V230-M238 HydrophobicContact CB-SD 4.06Å; V230-M238 HydrophobicContact CG1-CG 4.43Å; V230-M238 HydrophobicContact CG2-SD 4.14Å; V230-K241 HydrophobicContact CG1-CD 3.85Å; V230-Y258 HydrophobicContact CG1-CD2 3.84Å; V230-Y258 HydrophobicContact CG1-CG 4.35Å; V230-L259 HydrophobicContact CG2-CD2 3.81Å; V230-L259 HydrophobicContact CG2-CG 4.13Å | ||
| 231 | S | 90.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 74% | 0.741 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.1 | -173.7 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | D229 | D229-S231 VanDerWaalsContact OD1-CB 3.24Å; D229-S231 WeakPolarHBondContact OD1-CB 3.42Å; D229-S231 PolarHBondContact OD1-N 3.22Å; D229-S231 PolarHBondContact OD1-OG 3.4Å; D229-S231 PolarHBondContact OD2-OG 3.5Å |
| 232 | G | 89.8 | Confident | 92.9 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 67% | 0.67 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V230 | V230-G232 PolarHBondContact O-N 2.93Å; V230-G232 VanDerWaalsContact O-N 3.07Å |
| 233 | L | 94.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | trans | -103.7 | 143.1 | -174.8 | -56.9 | -172 | 0 | 0 | 0 | 111.7 | V69 V230 Q237 M238 K241 | V69-L233 HydrophobicContact CG1-CD2 4.41Å; V69-L233 HydrophobicContact CG2-CD2 3.72Å; V69-L233 WeakPolarHBondContact O-CD2 3.48Å; V230-L233 HydrophobicContact CB-CD1 4.33Å; V230-L233 HydrophobicContact CG1-CD1 4.17Å; V230-L233 WeakPolarHBondContact O-CB 3.19Å; V230-L233 PolarHBondContact O-N 3.49Å; L233-Q237 HydrophobicContact CB-CB 3.91Å; L233-Q237 HydrophobicContact CD1-CB 4.47Å; L233-Q237 HydrophobicContact CD2-CB 4.16Å; L233-Q237 HydrophobicContact CG-CB 4.4Å; L233-M238 HydrophobicContact CB-CG 3.68Å; L233-M238 HydrophobicContact CD1-CG 4.35Å; L233-K241 HydrophobicContact CD1-CB 4.36Å; L233-K241 HydrophobicContact CD1-CD 3.8Å; L233-K241 HydrophobicContact CD1-CG 4.47Å | ||
| 234 | N | 95.3 | Very high | 92.7 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | trans | -79.8 | 172.4 | 164.8 | 69.4 | 32.8 | 0 | 0 | 0 | 111.1 | E236 Q237 M238 | N234-E236 PolarHBondContact O-N 3.27Å; N234-E236 PolarHBondContact OD1-N 3.35Å; N234-Q237 PolarHBondContact O-N 3.03Å; N234-Q237 VanDerWaalsContact O-N 3.17Å; N234-Q237 WeakPolarHBondContact OD1-CB 3Å; N234-Q237 VanDerWaalsContact OD1-CG 3.24Å; N234-Q237 WeakPolarHBondContact OD1-CG 3.28Å; N234-Q237 PolarHBondContact OD1-N 2.99Å; N234-M238 WeakPolarHBondContact O-CG 3.1Å; N234-M238 PolarHBondContact O-N 3.47Å | ||
| 235 | M | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | -177.5 | -175.7 | 57.1 | 62.8 | 0 | 0 | 113 | Q237 M238 L239 L264 T267 L270 Q273 L274 | M235-Q237 VanDerWaalsContact C-N 3.29Å; M235-Q237 PolarHBondContact O-N 2.98Å; M235-M238 HydrophobicContact CB-CE 4.43Å; M235-M238 HydrophobicContact CE-CE 3.69Å; M235-M238 PolarHBondContact O-N 2.96Å; M235-M238 HydrophobicContact SD-CE 4Å; M235-L239 HydrophobicContact CG-CD1 4.07Å; M235-L239 HydrophobicContact CG-CG 4.4Å; M235-L239 VanDerWaalsContact O-CG 3.28Å; M235-L239 WeakPolarHBondContact O-CG 3.33Å; M235-L239 PolarHBondContact O-N 3.46Å; M235-L239 HydrophobicContact SD-CD1 4.41Å; M235-L239 HydrophobicContact SD-CD2 4.5Å; M235-L239 HydrophobicContact SD-CG 4.21Å; M235-L264 HydrophobicContact CE-CD1 3.91Å; M235-L264 HydrophobicContact SD-CD1 4.29Å; M235-T267 HydrophobicContact CE-CG2 3.68Å; M235-L270 HydrophobicContact CE-CD1 3.59Å; M235-L270 HydrophobicContact SD-CD1 4.26Å; M235-Q273 HydrophobicContact CB-CB 4.16Å; M235-Q273 HydrophobicContact CG-CB 4Å; M235-L274 HydrophobicContact CG-CD2 4.33Å; M235-L274 HydrophobicContact SD-CD2 4.28Å |
| 236 | E | 95 | Very high | 92.9 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.8 | -44.6 | 177.4 | 172.9 | 170.1 | -158.4 | 0 | 0 | 111.4 | N234 L239 L240 F277 K280 | N234-E236 PolarHBondContact O-N 3.27Å; N234-E236 PolarHBondContact OD1-N 3.35Å; E236-L239 PolarHBondContact O-N 2.94Å; E236-L240 HydrophobicContact CG-CD1 3.82Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.27Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.44Å; E236-F277 HydrophobicContact CB-CD2 4.45Å; E236-F277 HydrophobicContact CG-CD2 4.02Å; E236-F277 HydrophobicContact CG-CE2 4.29Å; E236-K280 VanDerWaalsContact CD-NZ 3.31Å; E236-K280 WeakPolarHBondContact OE1-CE 3.46Å; E236-K280 IonicContact OE1-NZ 3.16Å; E236-K280 PolarHBondContact OE1-NZ 3.43Å; E236-K280 IonicContact OE2-NZ 3.83Å; E236-K280 PolarHBondContact OE2-NZ 2.66Å; E236-K280 VanDerWaalsContact OE2-NZ 3.15Å |
| 237 | Q | 95 | Very high | 92.8 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.9 | -71.5 | 165.2 | -14.5 | 0 | 0 | 112.3 | V69 L70 L233 N234 M235 L240 K241 | V69-Q237 HydrophobicContact CG1-CG 4.23Å; L70-Q237 HydrophobicContact CD2-CB 3.63Å; L70-Q237 HydrophobicContact CD2-CG 3.92Å; L70-Q237 WeakPolarHBondContact CD2-O 3.44Å; L233-Q237 HydrophobicContact CB-CB 3.91Å; L233-Q237 HydrophobicContact CD1-CB 4.47Å; L233-Q237 HydrophobicContact CD2-CB 4.16Å; L233-Q237 HydrophobicContact CG-CB 4.4Å; N234-Q237 PolarHBondContact O-N 3.03Å; N234-Q237 VanDerWaalsContact O-N 3.17Å; N234-Q237 WeakPolarHBondContact OD1-CB 3Å; N234-Q237 VanDerWaalsContact OD1-CG 3.24Å; N234-Q237 WeakPolarHBondContact OD1-CG 3.28Å; N234-Q237 PolarHBondContact OD1-N 2.99Å; M235-Q237 VanDerWaalsContact C-N 3.29Å; M235-Q237 PolarHBondContact O-N 2.98Å; Q237-L240 PolarHBondContact O-N 3.39Å; Q237-K241 WeakPolarHBondContact O-CB 3.42Å; Q237-K241 PolarHBondContact O-N 3.34Å |
| 238 | M | 95.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.6 | -71.6 | -169.6 | -69.4 | 0 | 0 | 111.5 | V230 L233 N234 M235 K241 L259 | V230-M238 HydrophobicContact CB-CG 4.08Å; V230-M238 HydrophobicContact CB-SD 4.06Å; V230-M238 HydrophobicContact CG1-CG 4.43Å; V230-M238 HydrophobicContact CG2-SD 4.14Å; L233-M238 HydrophobicContact CB-CG 3.68Å; L233-M238 HydrophobicContact CD1-CG 4.35Å; N234-M238 WeakPolarHBondContact O-CG 3.1Å; N234-M238 PolarHBondContact O-N 3.47Å; M235-M238 HydrophobicContact CB-CE 4.43Å; M235-M238 HydrophobicContact CE-CE 3.69Å; M235-M238 PolarHBondContact O-N 2.96Å; M235-M238 HydrophobicContact SD-CE 4Å; M238-K241 PolarHBondContact O-N 2.96Å; M238-L259 HydrophobicContact CE-CD1 4.46Å; M238-L259 HydrophobicContact SD-CD1 3.96Å |
| 239 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.6 | -65.8 | 169.1 | 0 | 0 | 0 | 111.1 | M235 E236 M243 P255 I257 L274 F277 L286 M288 | M235-L239 HydrophobicContact CG-CD1 4.07Å; M235-L239 HydrophobicContact CG-CG 4.4Å; M235-L239 VanDerWaalsContact O-CG 3.28Å; M235-L239 WeakPolarHBondContact O-CG 3.33Å; M235-L239 PolarHBondContact O-N 3.46Å; M235-L239 HydrophobicContact SD-CD1 4.41Å; M235-L239 HydrophobicContact SD-CD2 4.5Å; M235-L239 HydrophobicContact SD-CG 4.21Å; E236-L239 PolarHBondContact O-N 2.94Å; L239-M243 VanDerWaalsContact O-CB 3.32Å; L239-M243 WeakPolarHBondContact O-CB 3.41Å; L239-P255 HydrophobicContact CB-CB 4.45Å; L239-P255 HydrophobicContact CD2-CB 4.08Å; L239-P255 HydrophobicContact CD2-CG 3.67Å; L239-P255 VanDerWaalsContact O-CB 3.3Å; L239-P255 WeakPolarHBondContact O-CB 3.39Å; L239-I257 HydrophobicContact CD2-CD1 3.94Å; L239-L274 HydrophobicContact CD1-CD2 3.93Å; L239-L274 HydrophobicContact CD2-CD2 4.24Å; L239-F277 HydrophobicContact CB-CE1 4.46Å; L239-F277 HydrophobicContact CB-CE2 4.28Å; L239-F277 HydrophobicContact CB-CZ 4.19Å; L239-F277 HydrophobicContact CD1-CB 4.03Å; L239-F277 HydrophobicContact CD1-CD1 3.79Å; L239-F277 HydrophobicContact CD1-CD2 4.01Å; L239-F277 HydrophobicContact CD1-CE1 4.24Å; L239-F277 HydrophobicContact CD1-CE2 4.44Å; L239-F277 HydrophobicContact CD1-CG 3.65Å; L239-L286 HydrophobicContact CD1-CD1 4.46Å; L239-M288 HydrophobicContact CD2-CG 4.24Å; L239-M288 HydrophobicContact CD2-SD 4Å |
| 240 | L | 93.8 | Very high | 92.8 | Very high | 40 Ų | 40 | 36.2 Ų | 36.2 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.4 | -22.7 | -179.4 | -69.7 | 171.1 | 0 | 0 | 0 | 113.9 | L70 E236 Q237 D242 F277 P385 N387 | L70-L240 HydrophobicContact CD1-CB 4.07Å; E236-L240 HydrophobicContact CG-CD1 3.82Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.27Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.44Å; Q237-L240 PolarHBondContact O-N 3.39Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.33Å; L240-F277 HydrophobicContact CD2-CE2 3.94Å; L240-F277 HydrophobicContact CD2-CZ 4.1Å; L240-F277 HydrophobicContact CG-CE2 3.97Å; L240-F277 HydrophobicContact CG-CZ 4.46Å; L240-P385 HydrophobicContact CD2-CG 3.9Å; L240-N387 PolarHBondContact O-ND2 3.35Å |
| 241 | K | 91.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.4 | -44.4 | -172.9 | -178.1 | -179.4 | 175.7 | 72.2 | 0 | 112.8 | L70 S72 K227 V230 L233 Q237 M238 Y258 N387 | L70-K241 PolarHBondContact O-NZ 3.43Å; S72-K241 PolarHBondContact OG-NZ 3.06Å; K227-K241 WeakPolarHBondContact O-CE 3.5Å; K227-K241 PolarHBondContact O-NZ 3.43Å; V230-K241 HydrophobicContact CG1-CD 3.85Å; L233-K241 HydrophobicContact CD1-CB 4.36Å; L233-K241 HydrophobicContact CD1-CD 3.8Å; L233-K241 HydrophobicContact CD1-CG 4.47Å; Q237-K241 WeakPolarHBondContact O-CB 3.42Å; Q237-K241 PolarHBondContact O-N 3.34Å; M238-K241 PolarHBondContact O-N 2.96Å; K241-Y258 HydrophobicContact CD-CD2 4.07Å; K241-Y258 HydrophobicContact CD-CE2 3.98Å; K241-N387 VanDerWaalsContact C-ND2 3.25Å; K241-N387 VanDerWaalsContact CA-ND2 3.31Å; K241-N387 WeakPolarHBondContact CA-ND2 3.24Å; K241-N387 PolarHBondContact O-ND2 2.87Å |
| 242 | D | 91.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | 75.2 | 177.1 | -170.2 | 18.1 | 0 | 0 | 0 | 110.3 | L240 P255 V256 Y258 R352 S388 L389 | L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.33Å; D242-P255 CarbonylContact O-C 3.58Å; D242-P255 WeakPolarHBondContact O-CA 3.34Å; D242-V256 HydrophobicContact CB-CB 4.11Å; D242-V256 PolarHBondContact O-N 2.94Å; D242-Y258 HydrophobicContact CB-CE2 4.34Å; D242-Y258 PolarHBondContact OD2-OH 3.31Å; D242-R352 VanDerWaalsContact CG-NH1 3.3Å; D242-R352 PolarHBondContact O-NH1 3.05Å; D242-R352 IonicContact OD1-CZ 3.68Å; D242-R352 IonicContact OD1-NH1 3.96Å; D242-R352 PolarHBondContact OD1-NH1 3.29Å; D242-R352 IonicContact OD1-NH2 3.38Å; D242-R352 PolarHBondContact OD1-NH2 2.96Å; D242-R352 IonicContact OD2-CZ 2.69Å; D242-R352 IonicContact OD2-NH1 3.55Å; D242-R352 IonicContact OD2-NH2 3.52Å; D242-S388 WeakPolarHBondContact OD1-CA 3.38Å; D242-S388 PolarHBondContact OD1-OG 3.43Å; D242-L389 HydrophobicContact CB-CG 4.39Å; D242-L389 PolarHBondContact OD1-N 3.02Å |
| 243 | M | 93.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.9 | -176.7 | -158.3 | -149.6 | 79 | 0 | 0 | 112.2 | L239 A245 A253 P255 F277 F283 T384 P385 | L239-M243 VanDerWaalsContact O-CB 3.32Å; L239-M243 WeakPolarHBondContact O-CB 3.41Å; M243-A245 HydrophobicContact CE-CB 3.6Å; M243-A253 HydrophobicContact CE-CB 4.36Å; M243-A253 HydrophobicContact CG-CB 4.1Å; M243-A253 HydrophobicContact SD-CB 3.69Å; M243-P255 HydrophobicContact CB-CB 4.49Å; M243-P255 HydrophobicContact CG-CB 4.12Å; M243-F277 HydrophobicContact SD-CZ 4.37Å; M243-F283 HydrophobicContact CE-CZ 3.97Å; M243-F283 HydrophobicContact SD-CE2 4.15Å; M243-F283 HydrophobicContact SD-CZ 4.09Å; M243-T384 WeakPolarHBondContact O-CG2 3.23Å; M243-P385 HydrophobicContact CB-CG 4.2Å; M243-P385 VanDerWaalsContact CE-CD 3.43Å; M243-P385 HydrophobicContact CE-CG 4.28Å |
| 244 | K | 93.2 | Very high | 93.7 | Very high | 55 Ų | 55 | 28.5 Ų | 28.5 | 24% | 0.239 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.2 | 160.6 | -69.8 | -84.3 | 158 | 176.9 | 0 | 109.2 | I254 L356 T384 S388 | K244-I254 PolarHBondContact N-O 3.39Å; K244-I254 PolarHBondContact O-N 3.19Å; K244-L356 HydrophobicContact CB-CD1 4.38Å; K244-T384 HydrophobicContact CD-CG2 3.58Å; K244-T384 HydrophobicContact CG-CG2 4.42Å; K244-S388 WeakPolarHBondContact CE-OG 3.31Å |
| 245 | A | 93.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 24.8 Ų | 24.8 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | M243 I252 F283 T384 | M243-A245 HydrophobicContact CE-CB 3.6Å; A245-I252 WeakPolarHBondContact CA-O 3.46Å; A245-F283 HydrophobicContact CB-CE1 3.89Å; A245-F283 HydrophobicContact CB-CZ 4.12Å; A245-T384 PolarHBondContact N-OG1 3.42Å |
| 246 | V | 93.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 25 Ų | 25 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.8 | 168 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | I252 I254 L356 V359 Q360 L363 | V246-I252 HydrophobicContact CG2-CB 3.89Å; V246-I252 PolarHBondContact N-O 2.99Å; V246-I252 PolarHBondContact O-N 3.21Å; V246-I254 HydrophobicContact CG2-CD1 4.36Å; V246-L356 HydrophobicContact CG1-CD1 3.41Å; V246-L356 VanDerWaalsContact CG1-CD1 3.41Å; V246-V359 HydrophobicContact CG2-CG1 3.72Å; V246-Q360 HydrophobicContact CG1-CG 4.07Å; V246-L363 HydrophobicContact CB-CD1 4.02Å; V246-L363 HydrophobicContact CG2-CD1 3.69Å |
| 247 | S | 90.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 21.9 Ų | 21.9 | 38% | 0.378 | 13% | 0.131 | S | C | . | . | trans | -130.3 | 152.4 | -178.4 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | N251 V381 | S247-N251 WeakPolarHBondContact CB-OD1 3.47Å; S247-N251 PolarHBondContact OG-OD1 3.42Å; S247-V381 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 248 | G | 89.7 | Confident | 93.7 | Very high | 38 Ų | 38 | 20.9 Ų | 20.9 | 39% | 0.392 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 175.9 | -132.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | F250 | G248-F250 PolarHBondContact N-O 2.85Å; G248-F250 PolarHBondContact O-N 2.97Å; G248-F250 VanDerWaalsContact O-N 3.11Å |
| 249 | S | 89 | Confident | 93.7 | Very high | 60 Ų | 60 | 21.7 Ų | 21.7 | 42% | 0.42 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -54.9 | -26.7 | 168.4 | -75.6 | 0 | 0 | 0 | 0 | 113.5 | D367 | S249-D367 WeakPolarHBondContact CA-OD1 3.43Å; S249-D367 WeakPolarHBondContact CB-OD1 3.37Å; S249-D367 PolarHBondContact N-OD1 2.77Å; S249-D367 PolarHBondContact OG-N 2.96Å; S249-D367 PolarHBondContact OG-OD1 3.39Å |
| 250 | F | 92 | Very high | 93.7 | Very high | 45 Ų | 45 | 23.6 Ų | 23.6 | 20% | 0.197 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -135.4 | 148.1 | 175.9 | -54.3 | -72.8 | 0 | 0 | 0 | 110.3 | G248 I252 D284 C312 F362 L363 C366 | G248-F250 PolarHBondContact N-O 2.85Å; G248-F250 PolarHBondContact O-N 2.97Å; G248-F250 VanDerWaalsContact O-N 3.11Å; F250-I252 HydrophobicContact CB-CD1 4.3Å; F250-I252 HydrophobicContact CB-CG1 4Å; F250-D284 HydrophobicContact CB-CB 4.37Å; F250-D284 HydrophobicContact CD1-CB 4.42Å; F250-C312 HydrophobicContact CE1-CB 4.19Å; F250-C312 HydrophobicContact CZ-CB 4.41Å; F250-F362 HydrophobicContact CD2-CE1 4.01Å; F250-F362 HydrophobicContact CD2-CZ 4.37Å; F250-F362 HydrophobicContact CE2-CE1 4.26Å; F250-F362 HydrophobicContact CE2-CZ 4.16Å; F250-L363 HydrophobicContact CB-CD2 3.99Å; F250-L363 HydrophobicContact CD2-CD2 4.1Å; F250-C366 HydrophobicContact CE2-CB 4.46Å |
| 251 | N | 94.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 22% | 0.219 | 13% | 0.133 | C | C | . | . | trans | -92 | 111.1 | 169.5 | -62.9 | -35.9 | 0 | 0 | 0 | 109.1 | S247 G282 F283 D284 L285 V381 | S247-N251 WeakPolarHBondContact CB-OD1 3.47Å; S247-N251 PolarHBondContact OG-OD1 3.42Å; N251-G282 WeakPolarHBondContact CB-O 3.38Å; N251-G282 PolarHBondContact ND2-O 3.36Å; N251-F283 HydrophobicContact CB-CD1 4.26Å; N251-D284 PolarHBondContact N-OD2 3.44Å; N251-D284 PolarHBondContact O-N 3.05Å; N251-L285 PolarHBondContact O-N 3.49Å; N251-V381 HydrophobicContact CB-CG1 4.45Å; N251-V381 HydrophobicContact CB-CG2 3.79Å; N251-V381 VanDerWaalsContact ND2-CG2 3.35Å; N251-V381 WeakPolarHBondContact ND2-CG2 3.4Å; N251-V381 WeakPolarHBondContact OD1-CG2 3.46Å | ||
| 252 | I | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.2 | -172.7 | -52.2 | -179.6 | 0 | 0 | 0 | 109.9 | A245 V246 F250 I254 L285 L287 V359 F362 L363 | A245-I252 WeakPolarHBondContact CA-O 3.46Å; V246-I252 HydrophobicContact CG2-CB 3.89Å; V246-I252 PolarHBondContact N-O 2.99Å; V246-I252 PolarHBondContact O-N 3.21Å; F250-I252 HydrophobicContact CB-CD1 4.3Å; F250-I252 HydrophobicContact CB-CG1 4Å; I252-I254 HydrophobicContact CG2-CG1 4.08Å; I252-L285 WeakPolarHBondContact CA-O 3.49Å; I252-L285 HydrophobicContact CG1-CB 4.23Å; I252-L285 HydrophobicContact CG2-CB 4.47Å; I252-L285 HydrophobicContact CG2-CD2 3.67Å; I252-L287 HydrophobicContact CG2-CB 4.29Å; I252-V359 HydrophobicContact CB-CG1 4.38Å; I252-V359 HydrophobicContact CD1-CG1 3.65Å; I252-V359 HydrophobicContact CG2-CG1 4.16Å; I252-F362 HydrophobicContact CD1-CD1 4.29Å; I252-F362 HydrophobicContact CD1-CE1 4.27Å; I252-L363 HydrophobicContact CD1-CD1 4.33Å; I252-L363 HydrophobicContact CD1-CD2 3.85Å; I252-L363 HydrophobicContact CD1-CG 4.14Å; I252-L363 HydrophobicContact CG1-CD2 4.47Å |
| 253 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M243 P255 F283 L285 L286 L287 | M243-A253 HydrophobicContact CE-CB 4.36Å; M243-A253 HydrophobicContact CG-CB 4.1Å; M243-A253 HydrophobicContact SD-CB 3.69Å; A253-P255 VanDerWaalsContact C-CD 3.43Å; A253-P255 WeakPolarHBondContact O-CD 3.4Å; A253-F283 HydrophobicContact CB-CD1 3.84Å; A253-F283 HydrophobicContact CB-CD2 3.8Å; A253-F283 HydrophobicContact CB-CE1 3.79Å; A253-F283 HydrophobicContact CB-CE2 3.78Å; A253-F283 HydrophobicContact CB-CG 3.86Å; A253-F283 HydrophobicContact CB-CZ 3.79Å; A253-L285 PolarHBondContact N-O 2.88Å; A253-L286 HydrophobicContact CB-CD2 3.7Å; A253-L286 WeakPolarHBondContact O-CA 3.5Å; A253-L287 PolarHBondContact O-N 3.42Å |
| 254 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 74.6 | -177.8 | -43.4 | 174.1 | 0 | 0 | 0 | 109 | K244 V246 I252 L287 R352 L355 L356 V359 | K244-I254 PolarHBondContact N-O 3.39Å; K244-I254 PolarHBondContact O-N 3.19Å; V246-I254 HydrophobicContact CG2-CD1 4.36Å; I252-I254 HydrophobicContact CG2-CG1 4.08Å; I254-L287 WeakPolarHBondContact CA-O 3.33Å; I254-L287 HydrophobicContact CG1-CB 4.35Å; I254-L287 HydrophobicContact CG1-CD2 4.5Å; I254-L287 HydrophobicContact CG2-CB 4.37Å; I254-L287 HydrophobicContact CG2-CD2 4.31Å; I254-L287 HydrophobicContact CG2-CG 4.36Å; I254-L287 WeakPolarHBondContact CG2-O 3.38Å; I254-R352 HydrophobicContact CB-CG 4.44Å; I254-R352 HydrophobicContact CG2-CG 3.79Å; I254-R352 WeakPolarHBondContact O-CD 3.05Å; I254-L355 HydrophobicContact CG2-CD2 3.98Å; I254-L356 HydrophobicContact CD1-CD1 3.72Å; I254-V359 HydrophobicContact CD1-CB 4Å; I254-V359 HydrophobicContact CD1-CG1 4.11Å; I254-V359 HydrophobicContact CD1-CG2 3.84Å |
| 255 | P | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 145.3 | 177.3 | 32.6 | -35.8 | 0 | 0 | 0 | 112.1 | L239 D242 M243 A253 M288 M289 | L239-P255 HydrophobicContact CB-CB 4.45Å; L239-P255 HydrophobicContact CD2-CB 4.08Å; L239-P255 HydrophobicContact CD2-CG 3.67Å; L239-P255 VanDerWaalsContact O-CB 3.3Å; L239-P255 WeakPolarHBondContact O-CB 3.39Å; D242-P255 CarbonylContact O-C 3.58Å; D242-P255 WeakPolarHBondContact O-CA 3.34Å; M243-P255 HydrophobicContact CB-CB 4.49Å; M243-P255 HydrophobicContact CG-CB 4.12Å; A253-P255 VanDerWaalsContact C-CD 3.43Å; A253-P255 WeakPolarHBondContact O-CD 3.4Å; P255-M288 HydrophobicContact CG-CB 4.18Å; P255-M288 HydrophobicContact CG-CG 3.7Å; P255-M289 PolarHBondContact O-N 3.16Å |
| 256 | V | 95.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.7 | 165.5 | -178 | 0 | 0 | 0 | 0 | 108.4 | D242 Y258 M289 I291 R352 | D242-V256 HydrophobicContact CB-CB 4.11Å; D242-V256 PolarHBondContact O-N 2.94Å; V256-Y258 HydrophobicContact CG1-CE1 4.39Å; V256-M289 CarbonylContact C-O 3.57Å; V256-M289 VanDerWaalsContact CA-O 3.26Å; V256-M289 WeakPolarHBondContact CA-O 3.33Å; V256-I291 HydrophobicContact CG1-CB 4.43Å; V256-I291 HydrophobicContact CG1-CG2 3.66Å; V256-R352 HydrophobicContact CG2-CB 3.78Å; V256-R352 HydrophobicContact CG2-CG 4.36Å |
| 257 | I | 95.3 | Very high | 95 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.6 | -175.6 | -54.7 | 179.3 | 0 | 0 | 0 | 108.9 | L239 L259 L264 M288 M289 T290 I291 | L239-I257 HydrophobicContact CD2-CD1 3.94Å; I257-L259 HydrophobicContact CG2-CB 4.1Å; I257-L259 HydrophobicContact CG2-CD1 4.02Å; I257-L259 HydrophobicContact CG2-CG 4.03Å; I257-L259 PolarHBondContact O-N 3.31Å; I257-L264 HydrophobicContact CD1-CD1 3.95Å; I257-L264 HydrophobicContact CD1-CD2 3.87Å; I257-M288 HydrophobicContact CD1-CB 3.89Å; I257-M288 HydrophobicContact CD1-CG 4.07Å; I257-M288 HydrophobicContact CD1-SD 3.96Å; I257-M289 PolarHBondContact N-O 2.85Å; I257-T290 CarbonylContact O-C 3.51Å; I257-T290 VanDerWaalsContact O-CA 3.3Å; I257-T290 WeakPolarHBondContact O-CA 3.12Å; I257-I291 PolarHBondContact O-N 2.99Å |
| 258 | Y | 93.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.7 | 53.4 | -177.8 | -56.1 | -83.8 | 0 | 0 | 0 | 112.5 | L228 V230 K241 D242 V256 I291 L389 | L228-Y258 HydrophobicContact CB-CD1 4.17Å; L228-Y258 HydrophobicContact CB-CG 4.49Å; L228-Y258 HydrophobicContact CD2-CD1 3.44Å; L228-Y258 VanDerWaalsContact CD2-CD1 3.44Å; L228-Y258 HydrophobicContact CD2-CE1 3.25Å; L228-Y258 HydrophobicContact CD2-CG 4.39Å; L228-Y258 HydrophobicContact CG-CD1 4.36Å; L228-Y258 WeakPolarHBondContact O-CB 3.11Å; V230-Y258 HydrophobicContact CG1-CD2 3.84Å; V230-Y258 HydrophobicContact CG1-CG 4.35Å; K241-Y258 HydrophobicContact CD-CD2 4.07Å; K241-Y258 HydrophobicContact CD-CE2 3.98Å; D242-Y258 HydrophobicContact CB-CE2 4.34Å; D242-Y258 PolarHBondContact OD2-OH 3.31Å; V256-Y258 HydrophobicContact CG1-CE1 4.39Å; Y258-I291 CarbonylContact C-O 3.46Å; Y258-I291 WeakPolarHBondContact CA-O 3.4Å; Y258-I291 HydrophobicContact CD1-CG2 3.42Å; Y258-I291 VanDerWaalsContact CD1-CG2 3.42Å; Y258-I291 HydrophobicContact CE1-CG2 3.67Å; Y258-I291 HydrophobicContact CG-CG2 4.2Å; Y258-L389 WeakPolarHBondContact OH-CD1 3.31Å |
| 259 | L | 94.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -134 | 166.9 | 175.2 | -63.9 | 176.2 | 0 | 0 | 0 | 108.3 | V230 M238 I257 E263 T290 | V230-L259 HydrophobicContact CG2-CD2 3.81Å; V230-L259 HydrophobicContact CG2-CG 4.13Å; M238-L259 HydrophobicContact CE-CD1 4.46Å; M238-L259 HydrophobicContact SD-CD1 3.96Å; I257-L259 HydrophobicContact CG2-CB 4.1Å; I257-L259 HydrophobicContact CG2-CD1 4.02Å; I257-L259 HydrophobicContact CG2-CG 4.03Å; I257-L259 PolarHBondContact O-N 3.31Å; L259-E263 HydrophobicContact CB-CB 4.25Å; L259-T290 VanDerWaalsContact O-CB 3.31Å; L259-T290 WeakPolarHBondContact O-CB 3.28Å |
| 260 | T | 96 | Very high | 95.9 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | trans | -71.4 | 158.7 | 161.5 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | E262 E263 L264 | T260-E262 PolarHBondContact O-N 3.1Å; T260-E263 WeakPolarHBondContact CB-OE2 3.5Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.26Å; T260-E263 PolarHBondContact N-OE2 3.33Å; T260-E263 PolarHBondContact O-N 3.35Å; T260-E263 WeakPolarHBondContact OG1-CB 3.19Å; T260-E263 VanDerWaalsContact OG1-CD 3.24Å; T260-E263 WeakPolarHBondContact OG1-CG 3.23Å; T260-E263 PolarHBondContact OG1-N 3.4Å; T260-E263 VanDerWaalsContact OG1-N 3.1Å; T260-E263 PolarHBondContact OG1-OE2 2.96Å; T260-L264 PolarHBondContact O-N 3.34Å; T260-L264 VanDerWaalsContact O-N 3.08Å | ||
| 261 | L | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 172.1 | 179.2 | 62 | 0 | 0 | 0 | 111.6 | L264 L265 T290 E302 A304 A333 A342 | L261-L264 PolarHBondContact O-N 3.09Å; L261-L265 HydrophobicContact CD1-CD1 3.95Å; L261-L265 HydrophobicContact CD1-CD2 4.46Å; L261-L265 HydrophobicContact CD1-CG 4.01Å; L261-L265 HydrophobicContact CG-CD1 3.83Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.39Å; L261-T290 HydrophobicContact CB-CG2 4.5Å; L261-E302 HydrophobicContact CB-CB 3.91Å; L261-E302 VanDerWaalsContact CB-CD 3.41Å; L261-E302 HydrophobicContact CB-CG 4.27Å; L261-E302 WeakPolarHBondContact CB-OE2 3.32Å; L261-E302 HydrophobicContact CD2-CB 3.95Å; L261-E302 HydrophobicContact CG-CB 4.45Å; L261-E302 PolarHBondContact N-OE2 2.99Å; L261-E302 VanDerWaalsContact N-OE2 3.09Å; L261-A304 HydrophobicContact CD1-CB 3.92Å; L261-A333 HydrophobicContact CD2-CB 3.87Å; L261-A342 HydrophobicContact CD1-CB 4.33Å; L261-A342 HydrophobicContact CD2-CB 4.04Å |
| 262 | E | 97.1 | Very high | 96.3 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 61% | 0.612 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.9 | -50.4 | 177.5 | -177.5 | 173.9 | -176.3 | 0 | 0 | 111.9 | T260 L264 L265 Q266 | T260-E262 PolarHBondContact O-N 3.1Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 2.57Å; E262-L265 PolarHBondContact O-N 3.16Å; E262-Q266 HydrophobicContact CG-CG 4.5Å; E262-Q266 VanDerWaalsContact CG-NE2 3.31Å; E262-Q266 WeakPolarHBondContact O-CB 3.35Å; E262-Q266 VanDerWaalsContact O-CG 3.29Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.28Å; E262-Q266 PolarHBondContact OE1-NE2 2.95Å |
| 263 | E | 96.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.3 | -73.3 | 163.2 | 142.6 | 0 | 0 | 111.9 | L259 T260 Q266 T267 | L259-E263 HydrophobicContact CB-CB 4.25Å; T260-E263 WeakPolarHBondContact CB-OE2 3.5Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.26Å; T260-E263 PolarHBondContact N-OE2 3.33Å; T260-E263 PolarHBondContact O-N 3.35Å; T260-E263 WeakPolarHBondContact OG1-CB 3.19Å; T260-E263 VanDerWaalsContact OG1-CD 3.24Å; T260-E263 WeakPolarHBondContact OG1-CG 3.23Å; T260-E263 PolarHBondContact OG1-N 3.4Å; T260-E263 VanDerWaalsContact OG1-N 3.1Å; T260-E263 PolarHBondContact OG1-OE2 2.96Å; E263-Q266 PolarHBondContact O-N 3.27Å; E263-T267 PolarHBondContact O-N 3.46Å; E263-T267 PolarHBondContact O-OG1 3.17Å |
| 264 | L | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 175.5 | 177.2 | 63.2 | 0 | 0 | 0 | 110.7 | M235 I257 T260 L261 E262 Q266 T267 L270 M288 T290 A304 | M235-L264 HydrophobicContact CE-CD1 3.91Å; M235-L264 HydrophobicContact SD-CD1 4.29Å; I257-L264 HydrophobicContact CD1-CD1 3.95Å; I257-L264 HydrophobicContact CD1-CD2 3.87Å; T260-L264 PolarHBondContact O-N 3.34Å; T260-L264 VanDerWaalsContact O-N 3.08Å; L261-L264 PolarHBondContact O-N 3.09Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 2.57Å; L264-Q266 PolarHBondContact O-N 2.79Å; L264-T267 WeakPolarHBondContact O-CB 3.28Å; L264-T267 PolarHBondContact O-N 3.32Å; L264-T267 PolarHBondContact O-OG1 2.87Å; L264-L270 HydrophobicContact CD1-CD1 3.98Å; L264-L270 WeakPolarHBondContact O-CD2 3.29Å; L264-M288 HydrophobicContact CD2-CE 4.48Å; L264-M288 HydrophobicContact CD2-SD 4.34Å; L264-T290 HydrophobicContact CB-CG2 4.4Å; L264-T290 HydrophobicContact CD2-CG2 3.74Å; L264-A304 HydrophobicContact CD2-CB 4.5Å |
| 265 | L | 97.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -23.3 | -178.4 | -65.4 | 175.2 | 0 | 0 | 0 | 113 | L261 E262 T267 L270 H337 I340 A342 | L261-L265 HydrophobicContact CD1-CD1 3.95Å; L261-L265 HydrophobicContact CD1-CD2 4.46Å; L261-L265 HydrophobicContact CD1-CG 4.01Å; L261-L265 HydrophobicContact CG-CD1 3.83Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.39Å; E262-L265 PolarHBondContact O-N 3.16Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-L270 HydrophobicContact CD2-CD2 4.31Å; L265-H337 PolarHBondContact O-NE2 2.65Å; L265-I340 HydrophobicContact CD2-CD1 4.32Å; L265-I340 HydrophobicContact CD2-CG2 4.2Å; L265-A342 HydrophobicContact CD1-CB 4.26Å |
| 266 | Q | 96.1 | Very high | 96.5 | Very high | 134 Ų | 134 | 50.6 Ų | 50.6 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.5 | 174.5 | -72 | 176.5 | 7.8 | 0 | 0 | 113.5 | E262 E263 L264 A268 | E262-Q266 HydrophobicContact CG-CG 4.5Å; E262-Q266 VanDerWaalsContact CG-NE2 3.31Å; E262-Q266 WeakPolarHBondContact O-CB 3.35Å; E262-Q266 VanDerWaalsContact O-CG 3.29Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.28Å; E262-Q266 PolarHBondContact OE1-NE2 2.95Å; E263-Q266 PolarHBondContact O-N 3.27Å; L264-Q266 PolarHBondContact O-N 2.79Å; Q266-A268 PolarHBondContact O-N 3.34Å |
| 267 | T | 95.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -63.1 | 130.4 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | M235 E263 L264 L265 E269 L270 | M235-T267 HydrophobicContact CE-CG2 3.68Å; E263-T267 PolarHBondContact O-N 3.46Å; E263-T267 PolarHBondContact O-OG1 3.17Å; L264-T267 WeakPolarHBondContact O-CB 3.28Å; L264-T267 PolarHBondContact O-N 3.32Å; L264-T267 PolarHBondContact O-OG1 2.87Å; L265-T267 VanDerWaalsContact C-N 3.31Å; T267-E269 PolarHBondContact O-N 3.18Å; T267-L270 WeakPolarHBondContact O-CB 3.29Å; T267-L270 PolarHBondContact O-N 2.99Å |
| 268 | A | 94.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 62% | 0.62 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 137.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q266 L270 Q273 | Q266-A268 PolarHBondContact O-N 3.34Å; A268-L270 PolarHBondContact O-N 2.89Å; A268-L270 VanDerWaalsContact O-N 3.11Å; A268-Q273 PolarHBondContact O-NE2 3.34Å |
| 269 | E | 96.3 | Very high | 96.6 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 28.8 | 176.8 | -59.7 | 169.5 | -175.4 | 0 | 0 | 113.5 | T267 E271 E272 Q273 | T267-E269 PolarHBondContact O-N 3.18Å; E269-E271 PolarHBondContact O-N 2.93Å; E269-E272 HydrophobicContact CB-CB 4.44Å; E269-E272 PolarHBondContact O-N 2.94Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 3.4Å |
| 270 | L | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -51.7 | -53.7 | -175.5 | 178.6 | 65.3 | 0 | 0 | 0 | 112.5 | M235 L264 L265 T267 A268 E272 Q273 L274 I340 | M235-L270 HydrophobicContact CE-CD1 3.59Å; M235-L270 HydrophobicContact SD-CD1 4.26Å; L264-L270 HydrophobicContact CD1-CD1 3.98Å; L264-L270 WeakPolarHBondContact O-CD2 3.29Å; L265-L270 HydrophobicContact CD2-CD2 4.31Å; T267-L270 WeakPolarHBondContact O-CB 3.29Å; T267-L270 PolarHBondContact O-N 2.99Å; A268-L270 PolarHBondContact O-N 2.89Å; A268-L270 VanDerWaalsContact O-N 3.11Å; L270-E272 VanDerWaalsContact C-N 3.29Å; L270-E272 PolarHBondContact O-N 3.29Å; L270-Q273 PolarHBondContact O-N 2.89Å; L270-L274 HydrophobicContact CD1-CD1 3.96Å; L270-L274 HydrophobicContact CD1-CD2 4.17Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CG-CD1 3.93Å; L270-L274 HydrophobicContact CG-CG 4.2Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 2.8Å; L270-I340 HydrophobicContact CD2-CD1 3.6Å; L270-I340 HydrophobicContact CG-CD1 4.18Å |
| 271 | E | 97.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | -177.8 | -67.2 | -171.1 | 141.3 | 0 | 0 | 112.9 | E269 S275 H337 P338 L339 | E269-E271 PolarHBondContact O-N 2.93Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.07Å; E271-H337 HydrophobicContact CG-CB 3.99Å; E271-H337 VanDerWaalsContact OE1-C 3.3Å; E271-H337 WeakPolarHBondContact OE1-CA 3.39Å; E271-H337 WeakPolarHBondContact OE1-CB 3.45Å; E271-P338 WeakPolarHBondContact OE1-CD 3.45Å; E271-P338 VanDerWaalsContact OE1-N 3.13Å; E271-L339 HydrophobicContact CG-CB 4.47Å; E271-L339 VanDerWaalsContact OE1-CB 3.29Å; E271-L339 WeakPolarHBondContact OE1-CB 3.44Å; E271-L339 PolarHBondContact OE1-N 3.08Å |
| 272 | E | 97.6 | Very high | 96.3 | Very high | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.1 | -43.6 | 176.7 | -177.1 | 173.2 | 176.6 | 0 | 0 | 111 | E269 L270 S275 A276 | E269-E272 HydrophobicContact CB-CB 4.44Å; E269-E272 PolarHBondContact O-N 2.94Å; L270-E272 VanDerWaalsContact C-N 3.29Å; L270-E272 PolarHBondContact O-N 3.29Å; E272-S275 PolarHBondContact O-N 3.36Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 2.86Å |
| 273 | Q | 97.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 177.3 | -67.8 | -174.5 | 67.4 | 0 | 0 | 112.1 | M235 A268 E269 L270 F277 | M235-Q273 HydrophobicContact CB-CB 4.16Å; M235-Q273 HydrophobicContact CG-CB 4Å; A268-Q273 PolarHBondContact O-NE2 3.34Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 PolarHBondContact O-N 2.89Å; Q273-F277 WeakPolarHBondContact O-CB 3Å; Q273-F277 PolarHBondContact O-N 3.36Å |
| 274 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.5 | -62.8 | -177 | 0 | 0 | 0 | 111.5 | M235 L239 L270 F277 C278 L286 M288 F306 I340 | M235-L274 HydrophobicContact CG-CD2 4.33Å; M235-L274 HydrophobicContact SD-CD2 4.28Å; L239-L274 HydrophobicContact CD1-CD2 3.93Å; L239-L274 HydrophobicContact CD2-CD2 4.24Å; L270-L274 HydrophobicContact CD1-CD1 3.96Å; L270-L274 HydrophobicContact CD1-CD2 4.17Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CG-CD1 3.93Å; L270-L274 HydrophobicContact CG-CG 4.2Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 2.8Å; L274-F277 PolarHBondContact O-N 3.04Å; L274-C278 WeakPolarHBondContact O-CB 3.26Å; L274-C278 PolarHBondContact O-N 3.06Å; L274-L286 HydrophobicContact CB-CD1 4.05Å; L274-L286 HydrophobicContact CD2-CD1 3.8Å; L274-L286 HydrophobicContact CG-CD1 4.38Å; L274-M288 HydrophobicContact CD1-CE 3.58Å; L274-M288 HydrophobicContact CD1-SD 3.97Å; L274-M288 HydrophobicContact CD2-CE 4.43Å; L274-M288 HydrophobicContact CD2-SD 3.69Å; L274-M288 HydrophobicContact CG-SD 4.5Å; L274-F306 HydrophobicContact CB-CD1 3.84Å; L274-F306 HydrophobicContact CB-CD2 3.96Å; L274-F306 HydrophobicContact CB-CE1 3.74Å; L274-F306 HydrophobicContact CB-CE2 3.87Å; L274-F306 HydrophobicContact CB-CG 3.95Å; L274-F306 HydrophobicContact CB-CZ 3.76Å; L274-F306 HydrophobicContact CD1-CB 3.89Å; L274-F306 HydrophobicContact CD1-CD1 4.41Å; L274-F306 HydrophobicContact CD1-CD2 3.72Å; L274-F306 HydrophobicContact CD1-CE2 4.35Å; L274-F306 HydrophobicContact CD1-CG 3.74Å; L274-F306 HydrophobicContact CG-CG 4.49Å; L274-I340 HydrophobicContact CD1-CD1 3.88Å |
| 275 | S | 97.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | E271 E272 F277 C278 H279 H308 | E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.07Å; E272-S275 PolarHBondContact O-N 3.36Å; S275-F277 VanDerWaalsContact C-N 3.32Å; S275-F277 PolarHBondContact O-N 3.45Å; S275-C278 PolarHBondContact O-N 3.28Å; S275-H279 PolarHBondContact O-N 3.19Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 3.3Å; S275-H279 VanDerWaalsContact OG-CE1 3.3Å; S275-H308 WeakPolarHBondContact CB-NE2 3.23Å; S275-H308 PolarHBondContact OG-CE1 2.96Å; S275-H308 PolarHBondContact OG-NE2 3.32Å |
| 276 | A | 97.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E272 K280 | E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 2.86Å; A276-K280 WeakPolarHBondContact O-CB 3.39Å; A276-K280 PolarHBondContact O-N 3.09Å |
| 277 | F | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 176 | 179.8 | -96.9 | 0 | 0 | 0 | 112.3 | E236 L239 L240 M243 Q273 L274 S275 K280 S281 F283 L286 | E236-F277 HydrophobicContact CB-CD2 4.45Å; E236-F277 HydrophobicContact CG-CD2 4.02Å; E236-F277 HydrophobicContact CG-CE2 4.29Å; L239-F277 HydrophobicContact CB-CE1 4.46Å; L239-F277 HydrophobicContact CB-CE2 4.28Å; L239-F277 HydrophobicContact CB-CZ 4.19Å; L239-F277 HydrophobicContact CD1-CB 4.03Å; L239-F277 HydrophobicContact CD1-CD1 3.79Å; L239-F277 HydrophobicContact CD1-CD2 4.01Å; L239-F277 HydrophobicContact CD1-CE1 4.24Å; L239-F277 HydrophobicContact CD1-CE2 4.44Å; L239-F277 HydrophobicContact CD1-CG 3.65Å; L240-F277 HydrophobicContact CD2-CE2 3.94Å; L240-F277 HydrophobicContact CD2-CZ 4.1Å; L240-F277 HydrophobicContact CG-CE2 3.97Å; L240-F277 HydrophobicContact CG-CZ 4.46Å; M243-F277 HydrophobicContact SD-CZ 4.37Å; Q273-F277 WeakPolarHBondContact O-CB 3Å; Q273-F277 PolarHBondContact O-N 3.36Å; L274-F277 PolarHBondContact O-N 3.04Å; S275-F277 VanDerWaalsContact C-N 3.32Å; S275-F277 PolarHBondContact O-N 3.45Å; F277-K280 PolarHBondContact O-N 2.89Å; F277-S281 VanDerWaalsContact O-CB 3.22Å; F277-S281 WeakPolarHBondContact O-CB 3.4Å; F277-S281 PolarHBondContact O-N 3.38Å; F277-S281 PolarHBondContact O-OG 3.3Å; F277-F283 HydrophobicContact CD1-CD2 4.37Å; F277-F283 AromaticContact CE1-CD2 3.7Å; F277-F283 HydrophobicContact CE1-CD2 3.7Å; F277-F283 AromaticContact CE1-CE2 3.88Å; F277-F283 HydrophobicContact CE1-CE2 3.88Å; F277-F283 HydrophobicContact CZ-CD2 4.33Å; F277-F283 HydrophobicContact CZ-CE2 4.06Å; F277-L286 HydrophobicContact CD1-CD1 4.04Å; F277-L286 HydrophobicContact CD1-CD2 3.82Å; F277-L286 HydrophobicContact CE1-CD2 3.79Å |
| 278 | C | 96.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 176 | -86.6 | 0 | 0 | 0 | 0 | 112.1 | L274 S275 S281 G282 F283 L286 F306 | L274-C278 WeakPolarHBondContact O-CB 3.26Å; L274-C278 PolarHBondContact O-N 3.06Å; S275-C278 PolarHBondContact O-N 3.28Å; C278-S281 PolarHBondContact O-N 3.33Å; C278-G282 WeakPolarHBondContact O-CA 3.36Å; C278-G282 PolarHBondContact O-N 3.25Å; C278-F283 VanDerWaalsContact CB-O 3.29Å; C278-F283 WeakPolarHBondContact CB-O 2.94Å; C278-F283 PolarHBondContact O-N 3.46Å; C278-F283 PolarHBondContact SG-O 3.47Å; C278-F283 VanDerWaalsContact SG-O 3.36Å; C278-L286 VanDerWaalsContact SG-CG 3.52Å; C278-F306 HydrophobicContact CB-CE1 4.42Å |
| 279 | H | 94.8 | Very high | 96.5 | Very high | 136 Ų | 136 | 42.1 Ų | 42.1 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.9 | -42.7 | 179.1 | -68.7 | 151.2 | 0 | 0 | 0 | 112.5 | S275 S281 H308 | S275-H279 PolarHBondContact O-N 3.19Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 3.3Å; S275-H279 VanDerWaalsContact OG-CE1 3.3Å; H279-S281 VanDerWaalsContact C-N 3.3Å; H279-S281 PolarHBondContact O-N 2.87Å; H279-H308 AromaticContact CE1-CE1 3.83Å; H279-H308 AromaticContact NE2-CE1 3.58Å |
| 280 | K | 93.6 | Very high | 96.5 | Very high | 145 Ų | 145 | 35.6 Ų | 35.6 | 63% | 0.63 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.8 | -37.6 | 178.1 | -178.1 | -177.1 | -180 | -174.4 | 0 | 112.1 | E236 A276 F277 | E236-K280 VanDerWaalsContact CD-NZ 3.31Å; E236-K280 WeakPolarHBondContact OE1-CE 3.46Å; E236-K280 IonicContact OE1-NZ 3.16Å; E236-K280 PolarHBondContact OE1-NZ 3.43Å; E236-K280 IonicContact OE2-NZ 3.83Å; E236-K280 PolarHBondContact OE2-NZ 2.66Å; E236-K280 VanDerWaalsContact OE2-NZ 3.15Å; A276-K280 WeakPolarHBondContact O-CB 3.39Å; A276-K280 PolarHBondContact O-N 3.09Å; F277-K280 PolarHBondContact O-N 2.89Å |
| 281 | S | 92.2 | Very high | 96.4 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 12% | 0.119 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -101.5 | -3.4 | -172.2 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | F277 C278 H279 F283 P382 | F277-S281 VanDerWaalsContact O-CB 3.22Å; F277-S281 WeakPolarHBondContact O-CB 3.4Å; F277-S281 PolarHBondContact O-N 3.38Å; F277-S281 PolarHBondContact O-OG 3.3Å; C278-S281 PolarHBondContact O-N 3.33Å; H279-S281 VanDerWaalsContact C-N 3.3Å; H279-S281 PolarHBondContact O-N 2.87Å; S281-F283 VanDerWaalsContact C-N 3.34Å; S281-F283 VanDerWaalsContact CB-CE2 3.41Å; S281-F283 PolarHBondContact O-N 2.92Å; S281-P382 WeakPolarHBondContact O-CD 3.36Å; S281-P382 WeakPolarHBondContact O-CG 3.4Å |
| 282 | G | 94.2 | Very high | 96.2 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 28.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N251 C278 | N251-G282 WeakPolarHBondContact CB-O 3.38Å; N251-G282 PolarHBondContact ND2-O 3.36Å; C278-G282 WeakPolarHBondContact O-CA 3.36Å; C278-G282 PolarHBondContact O-N 3.25Å |
| 283 | F | 95.9 | Very high | 95.8 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | trans | -91.8 | 132.6 | 175.6 | -65.9 | -61.6 | 0 | 0 | 0 | 111.5 | M243 A245 N251 A253 F277 C278 S281 L286 V381 P382 | M243-F283 HydrophobicContact CE-CZ 3.97Å; M243-F283 HydrophobicContact SD-CE2 4.15Å; M243-F283 HydrophobicContact SD-CZ 4.09Å; A245-F283 HydrophobicContact CB-CE1 3.89Å; A245-F283 HydrophobicContact CB-CZ 4.12Å; N251-F283 HydrophobicContact CB-CD1 4.26Å; A253-F283 HydrophobicContact CB-CD1 3.84Å; A253-F283 HydrophobicContact CB-CD2 3.8Å; A253-F283 HydrophobicContact CB-CE1 3.79Å; A253-F283 HydrophobicContact CB-CE2 3.78Å; A253-F283 HydrophobicContact CB-CG 3.86Å; A253-F283 HydrophobicContact CB-CZ 3.79Å; F277-F283 HydrophobicContact CD1-CD2 4.37Å; F277-F283 AromaticContact CE1-CD2 3.7Å; F277-F283 HydrophobicContact CE1-CD2 3.7Å; F277-F283 AromaticContact CE1-CE2 3.88Å; F277-F283 HydrophobicContact CE1-CE2 3.88Å; F277-F283 HydrophobicContact CZ-CD2 4.33Å; F277-F283 HydrophobicContact CZ-CE2 4.06Å; C278-F283 VanDerWaalsContact CB-O 3.29Å; C278-F283 WeakPolarHBondContact CB-O 2.94Å; C278-F283 PolarHBondContact O-N 3.46Å; C278-F283 PolarHBondContact SG-O 3.47Å; C278-F283 VanDerWaalsContact SG-O 3.36Å; S281-F283 VanDerWaalsContact C-N 3.34Å; S281-F283 VanDerWaalsContact CB-CE2 3.41Å; S281-F283 PolarHBondContact O-N 2.92Å; F283-L286 HydrophobicContact CB-CD2 4.24Å; F283-L286 HydrophobicContact CD2-CD2 4.38Å; F283-V381 HydrophobicContact CD1-CG1 3.8Å; F283-V381 HydrophobicContact CE1-CG1 3.2Å; F283-V381 HydrophobicContact CZ-CG1 3.82Å; F283-P382 HydrophobicContact CE2-CG 4.12Å; F283-P382 HydrophobicContact CZ-CG 3.98Å | ||
| 284 | D | 95.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 30.7 Ų | 30.7 | 38% | 0.38 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -80.5 | -27.7 | 174.2 | -58.9 | -61 | 0 | 0 | 0 | 112.1 | F250 N251 S307 | F250-D284 HydrophobicContact CB-CB 4.37Å; F250-D284 HydrophobicContact CD1-CB 4.42Å; N251-D284 PolarHBondContact N-OD2 3.44Å; N251-D284 PolarHBondContact O-N 3.05Å; D284-S307 WeakPolarHBondContact O-CB 3.44Å; D284-S307 PolarHBondContact O-OG 3.42Å |
| 285 | L | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 138.7 | -173 | -167.8 | 136.7 | 0 | 0 | 0 | 112 | N251 I252 A253 L287 V305 F306 V316 | N251-L285 PolarHBondContact O-N 3.49Å; I252-L285 WeakPolarHBondContact CA-O 3.49Å; I252-L285 HydrophobicContact CG1-CB 4.23Å; I252-L285 HydrophobicContact CG2-CB 4.47Å; I252-L285 HydrophobicContact CG2-CD2 3.67Å; A253-L285 PolarHBondContact N-O 2.88Å; L285-L287 HydrophobicContact CD2-CB 3.98Å; L285-V305 HydrophobicContact CD1-CG1 3.89Å; L285-V305 HydrophobicContact CD2-CG1 4.05Å; L285-V305 HydrophobicContact CG-CG1 4.14Å; L285-F306 WeakPolarHBondContact CA-O 3.47Å; L285-V316 HydrophobicContact CD1-CB 4.39Å; L285-V316 HydrophobicContact CD1-CG1 3.54Å; L285-V316 HydrophobicContact CD2-CG1 4.31Å |
| 286 | L | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.3 | 166.8 | -50.5 | 176.8 | 0 | 0 | 0 | 109.1 | L239 A253 L274 F277 C278 F283 M288 V305 F306 | L239-L286 HydrophobicContact CD1-CD1 4.46Å; A253-L286 HydrophobicContact CB-CD2 3.7Å; A253-L286 WeakPolarHBondContact O-CA 3.5Å; L274-L286 HydrophobicContact CB-CD1 4.05Å; L274-L286 HydrophobicContact CD2-CD1 3.8Å; L274-L286 HydrophobicContact CG-CD1 4.38Å; F277-L286 HydrophobicContact CD1-CD1 4.04Å; F277-L286 HydrophobicContact CD1-CD2 3.82Å; F277-L286 HydrophobicContact CE1-CD2 3.79Å; C278-L286 VanDerWaalsContact SG-CG 3.52Å; F283-L286 HydrophobicContact CB-CD2 4.24Å; F283-L286 HydrophobicContact CD2-CD2 4.38Å; L286-M288 HydrophobicContact CB-CG 3.99Å; L286-V305 WeakPolarHBondContact O-CA 2.96Å; L286-F306 HydrophobicContact CB-CB 4.24Å; L286-F306 HydrophobicContact CB-CD1 4.44Å; L286-F306 HydrophobicContact CD1-CD1 3.93Å; L286-F306 HydrophobicContact CG-CD1 4.05Å; L286-F306 PolarHBondContact N-O 2.81Å; L286-F306 PolarHBondContact O-N 3.14Å |
| 287 | L | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 83.1 | 171.9 | -177.6 | 62.6 | 0 | 0 | 0 | 108.4 | I252 A253 I254 L285 M289 V305 L320 L355 V359 | I252-L287 HydrophobicContact CG2-CB 4.29Å; A253-L287 PolarHBondContact O-N 3.42Å; I254-L287 WeakPolarHBondContact CA-O 3.33Å; I254-L287 HydrophobicContact CG1-CB 4.35Å; I254-L287 HydrophobicContact CG1-CD2 4.5Å; I254-L287 HydrophobicContact CG2-CB 4.37Å; I254-L287 HydrophobicContact CG2-CD2 4.31Å; I254-L287 HydrophobicContact CG2-CG 4.36Å; I254-L287 WeakPolarHBondContact CG2-O 3.38Å; L285-L287 HydrophobicContact CD2-CB 3.98Å; L287-M289 PolarHBondContact O-N 3.48Å; L287-V305 HydrophobicContact CD1-CG2 3.72Å; L287-L320 HydrophobicContact CD1-CD1 3.68Å; L287-L320 HydrophobicContact CD2-CD1 3.88Å; L287-L320 HydrophobicContact CG-CD1 4.45Å; L287-L355 HydrophobicContact CD2-CD1 4.05Å; L287-L355 HydrophobicContact CD2-CD2 3.58Å; L287-L355 HydrophobicContact CD2-CG 3.79Å; L287-L355 HydrophobicContact CG-CD2 3.92Å; L287-V359 HydrophobicContact CD2-CG2 3.37Å |
| 288 | M | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119 | -174 | -56.3 | 175.6 | -73.7 | 0 | 0 | 109.8 | L239 P255 I257 L264 L274 L286 L303 A304 F306 | L239-M288 HydrophobicContact CD2-CG 4.24Å; L239-M288 HydrophobicContact CD2-SD 4Å; P255-M288 HydrophobicContact CG-CB 4.18Å; P255-M288 HydrophobicContact CG-CG 3.7Å; I257-M288 HydrophobicContact CD1-CB 3.89Å; I257-M288 HydrophobicContact CD1-CG 4.07Å; I257-M288 HydrophobicContact CD1-SD 3.96Å; L264-M288 HydrophobicContact CD2-CE 4.48Å; L264-M288 HydrophobicContact CD2-SD 4.34Å; L274-M288 HydrophobicContact CD1-CE 3.58Å; L274-M288 HydrophobicContact CD1-SD 3.97Å; L274-M288 HydrophobicContact CD2-CE 4.43Å; L274-M288 HydrophobicContact CD2-SD 3.69Å; L274-M288 HydrophobicContact CG-SD 4.5Å; L286-M288 HydrophobicContact CB-CG 3.99Å; M288-L303 WeakPolarHBondContact O-CA 3.32Å; M288-A304 HydrophobicContact CB-CB 4.38Å; M288-A304 HydrophobicContact CE-CB 3.79Å; M288-A304 PolarHBondContact N-O 2.81Å; M288-A304 PolarHBondContact O-N 3.37Å; M288-F306 HydrophobicContact CE-CB 3.99Å |
| 289 | M | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.4 | 170.5 | 178.2 | 178.1 | -71.6 | 0 | 0 | 109.3 | P255 V256 I257 L287 E302 L303 R352 L355 | P255-M289 PolarHBondContact O-N 3.16Å; V256-M289 CarbonylContact C-O 3.57Å; V256-M289 VanDerWaalsContact CA-O 3.26Å; V256-M289 WeakPolarHBondContact CA-O 3.33Å; I257-M289 PolarHBondContact N-O 2.85Å; L287-M289 PolarHBondContact O-N 3.48Å; M289-E302 WeakPolarHBondContact CA-O 3.36Å; M289-L303 HydrophobicContact CB-CD2 3.77Å; M289-L303 HydrophobicContact CE-CD2 3.88Å; M289-L303 HydrophobicContact CG-CD2 4.05Å; M289-R352 HydrophobicContact SD-CB 4.4Å; M289-R352 PolarHBondContact SD-N 3.32Å; M289-R352 VanDerWaalsContact SD-N 3.37Å; M289-L355 HydrophobicContact CE-CB 4.17Å; M289-L355 HydrophobicContact CE-CD2 3.69Å |
| 290 | T | 97 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 149.4 | 171.1 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | I257 L259 L261 L264 R301 E302 | I257-T290 CarbonylContact O-C 3.51Å; I257-T290 VanDerWaalsContact O-CA 3.3Å; I257-T290 WeakPolarHBondContact O-CA 3.12Å; L259-T290 VanDerWaalsContact O-CB 3.31Å; L259-T290 WeakPolarHBondContact O-CB 3.28Å; L261-T290 HydrophobicContact CB-CG2 4.5Å; L264-T290 HydrophobicContact CB-CG2 4.4Å; L264-T290 HydrophobicContact CD2-CG2 3.74Å; T290-R301 WeakPolarHBondContact O-CA 3.25Å; T290-E302 PolarHBondContact N-O 3.4Å; T290-E302 PolarHBondContact O-N 2.95Å; T290-E302 WeakPolarHBondContact OG1-CB 3.12Å; T290-E302 PolarHBondContact OG1-O 3.47Å |
| 291 | I | 94.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.6 | 171.7 | -171.3 | -179.6 | 0 | 0 | 0 | 110.2 | V256 I257 Y258 F293 I300 R301 | V256-I291 HydrophobicContact CG1-CB 4.43Å; V256-I291 HydrophobicContact CG1-CG2 3.66Å; I257-I291 PolarHBondContact O-N 2.99Å; Y258-I291 CarbonylContact C-O 3.46Å; Y258-I291 WeakPolarHBondContact CA-O 3.4Å; Y258-I291 HydrophobicContact CD1-CG2 3.42Å; Y258-I291 VanDerWaalsContact CD1-CG2 3.42Å; Y258-I291 HydrophobicContact CE1-CG2 3.67Å; Y258-I291 HydrophobicContact CG-CG2 4.2Å; I291-F293 HydrophobicContact CD1-CE1 4.38Å; I291-F293 HydrophobicContact CD1-CE2 4.26Å; I291-F293 HydrophobicContact CD1-CZ 3.71Å; I291-F293 HydrophobicContact CG1-CE2 4.28Å; I291-F293 HydrophobicContact CG1-CZ 4.15Å; I291-I300 WeakPolarHBondContact CA-O 3.43Å; I291-R301 HydrophobicContact CG1-CG 4.49Å |
| 292 | S | 92.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 176.3 | 170.2 | 66.5 | 0 | 0 | 0 | 0 | 109.5 | P299 I300 | S292-P299 WeakPolarHBondContact O-CA 3.23Å; S292-I300 PolarHBondContact N-O 3.19Å; S292-I300 PolarHBondContact O-N 3.43Å |
| 293 | F | 89.9 | Confident | 93 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.5 | -176.8 | -62 | -89.7 | 0 | 0 | 0 | 110.6 | L228 I291 E298 P299 L395 | L228-F293 HydrophobicContact CD1-CE2 3.85Å; L228-F293 HydrophobicContact CD1-CZ 4.36Å; I291-F293 HydrophobicContact CD1-CE1 4.38Å; I291-F293 HydrophobicContact CD1-CE2 4.26Å; I291-F293 HydrophobicContact CD1-CZ 3.71Å; I291-F293 HydrophobicContact CG1-CE2 4.28Å; I291-F293 HydrophobicContact CG1-CZ 4.15Å; F293-E298 WeakPolarHBondContact CA-O 3.35Å; F293-P299 HydrophobicContact CD1-CB 4.34Å; F293-P299 HydrophobicContact CE1-CB 4.08Å; F293-L395 HydrophobicContact CE1-CD2 3.88Å; F293-L395 HydrophobicContact CZ-CB 4.25Å; F293-L395 HydrophobicContact CZ-CD1 4.02Å; F293-L395 HydrophobicContact CZ-CD2 3.81Å; F293-L395 HydrophobicContact CZ-CG 4.24Å |
| 294 | T | 89.1 | Confident | 93.1 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | trans | -70.9 | 171.4 | 170.6 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | R296 E297 E298 I300 | T294-R296 PolarHBondContact O-N 3.49Å; T294-R296 PolarHBondContact OG1-N 2.86Å; T294-E297 PolarHBondContact O-N 3.48Å; T294-E298 HydrophobicContact CG2-CB 4.36Å; T294-E298 PolarHBondContact N-O 2.97Å; T294-E298 WeakPolarHBondContact OG1-CB 3.47Å; T294-E298 PolarHBondContact OG1-N 3.37Å; T294-I300 HydrophobicContact CG2-CD1 3.71Å; T294-I300 HydrophobicContact CG2-CG1 3.96Å | ||
| 295 | E | 84.9 | Confident | 93.3 | Very high | 204 Ų | 204 | 38.9 Ų | 38.9 | 95% | 0.953 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.7 | 170.2 | -62.7 | -176 | 169.2 | 0 | 0 | 113.5 | E297 | E295-E297 VanDerWaalsContact C-N 3.34Š|
| 296 | R | 84.3 | Confident | 93.4 | Very high | 187 Ų | 187 | 38.9 Ų | 38.9 | 71% | 0.706 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 13 | 177.2 | -61.3 | -177.7 | -179.4 | -177.3 | 0.1 | 113.2 | T294 E298 | T294-R296 PolarHBondContact O-N 3.49Å; T294-R296 PolarHBondContact OG1-N 2.86Å; R296-E298 HydrophobicContact CB-CG 4.29Å; R296-E298 PolarHBondContact O-N 3.39Å |
| 297 | E | 81.1 | Confident | 93.4 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | trans | 60.5 | 24.4 | -178.3 | -55.7 | -175.4 | 156.8 | 0 | 0 | 114 | T294 E295 L399 | T294-E297 PolarHBondContact O-N 3.48Å; E295-E297 VanDerWaalsContact C-N 3.34Å; E297-L399 HydrophobicContact CB-CB 3.96Å; E297-L399 HydrophobicContact CB-CD1 3.9Å; E297-L399 HydrophobicContact CB-CG 4.33Å; E297-L399 HydrophobicContact CG-CB 4.5Å; E297-L399 HydrophobicContact CG-CD1 3.78Å; E297-L399 WeakPolarHBondContact OE1-CD1 3.43Å; E297-L399 WeakPolarHBondContact OE2-CB 3.42Å; E297-L399 WeakPolarHBondContact OE2-CD1 3.29Å | ||
| 298 | E | 85 | Confident | 93.3 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | trans | -85.4 | 132.9 | 174.5 | -63.6 | 173.4 | 170.9 | 0 | 0 | 109.3 | F293 T294 R296 R401 | F293-E298 WeakPolarHBondContact CA-O 3.35Å; T294-E298 HydrophobicContact CG2-CB 4.36Å; T294-E298 PolarHBondContact N-O 2.97Å; T294-E298 WeakPolarHBondContact OG1-CB 3.47Å; T294-E298 PolarHBondContact OG1-N 3.37Å; R296-E298 HydrophobicContact CB-CG 4.29Å; R296-E298 PolarHBondContact O-N 3.39Å; E298-R401 IonicContact OE1-CZ 3.89Å; E298-R401 IonicContact OE1-NH2 3.51Å; E298-R401 PolarHBondContact OE1-NH2 2.94Å | ||
| 299 | P | 90.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.8 | -177.1 | 29.3 | -33.9 | 0 | 0 | 0 | 110.9 | S292 F293 A348 | S292-P299 WeakPolarHBondContact O-CA 3.23Å; F293-P299 HydrophobicContact CD1-CB 4.34Å; F293-P299 HydrophobicContact CE1-CB 4.08Å; P299-A348 VanDerWaalsContact O-CB 3.32Å; P299-A348 WeakPolarHBondContact O-CB 3.29Å |
| 300 | I | 93.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 34% | 0.344 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.7 | 164.9 | -62 | 166.3 | 0 | 0 | 0 | 106.5 | I291 S292 T294 E302 | I291-I300 WeakPolarHBondContact CA-O 3.43Å; S292-I300 PolarHBondContact N-O 3.19Å; S292-I300 PolarHBondContact O-N 3.43Å; T294-I300 HydrophobicContact CG2-CD1 3.71Å; T294-I300 HydrophobicContact CG2-CG1 3.96Å; I300-E302 HydrophobicContact CG2-CG 4.35Å |
| 301 | R | 95.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.9 | 176.1 | -62.5 | -176 | -171.6 | -85.5 | -4.2 | 109.9 | T290 I291 Q345 A348 S351 | T290-R301 WeakPolarHBondContact O-CA 3.25Å; I291-R301 HydrophobicContact CG1-CG 4.49Å; R301-Q345 HydrophobicContact CB-CB 4.49Å; R301-Q345 VanDerWaalsContact O-CB 3.24Å; R301-Q345 WeakPolarHBondContact O-CB 3.45Å; R301-Q345 PolarHBondContact O-N 3.03Å; R301-A348 WeakPolarHBondContact CD-O 3.4Å; R301-A348 PolarHBondContact NE-O 2.96Å; R301-S351 VanDerWaalsContact CZ-CB 3.5Å |
| 302 | E | 97.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 164.3 | 175.2 | -50.2 | 173.9 | 97.6 | 0 | 0 | 108.4 | L261 M289 T290 I300 F343 H344 | L261-E302 HydrophobicContact CB-CB 3.91Å; L261-E302 VanDerWaalsContact CB-CD 3.41Å; L261-E302 HydrophobicContact CB-CG 4.27Å; L261-E302 WeakPolarHBondContact CB-OE2 3.32Å; L261-E302 HydrophobicContact CD2-CB 3.95Å; L261-E302 HydrophobicContact CG-CB 4.45Å; L261-E302 PolarHBondContact N-OE2 2.99Å; L261-E302 VanDerWaalsContact N-OE2 3.09Å; M289-E302 WeakPolarHBondContact CA-O 3.36Å; T290-E302 PolarHBondContact N-O 3.4Å; T290-E302 PolarHBondContact O-N 2.95Å; T290-E302 WeakPolarHBondContact OG1-CB 3.12Å; T290-E302 PolarHBondContact OG1-O 3.47Å; I300-E302 HydrophobicContact CG2-CG 4.35Å; E302-F343 WeakPolarHBondContact CB-O 3.27Å; E302-H344 IonicContact OE1-CE1 2.84Å; E302-H344 PolarHBondContact OE1-CE1 3.39Å; E302-H344 IonicContact OE1-ND1 2.7Å; E302-H344 PolarHBondContact OE1-ND1 2.98Å |
| 303 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.2 | -176.3 | -66.7 | -179.3 | 0 | 0 | 0 | 111.2 | M288 M289 L328 L330 A342 F343 L355 | M288-L303 WeakPolarHBondContact O-CA 3.32Å; M289-L303 HydrophobicContact CB-CD2 3.77Å; M289-L303 HydrophobicContact CE-CD2 3.88Å; M289-L303 HydrophobicContact CG-CD2 4.05Å; L303-L328 HydrophobicContact CD1-CD1 4.36Å; L303-L330 HydrophobicContact CD1-CD1 3.78Å; L303-L330 HydrophobicContact CD1-CD2 3.59Å; L303-L330 HydrophobicContact CD1-CG 4.32Å; L303-L330 HydrophobicContact CG-CD2 4.24Å; L303-A342 CarbonylContact O-C 3.54Å; L303-A342 WeakPolarHBondContact O-CA 3.45Å; L303-F343 HydrophobicContact CB-CB 4.39Å; L303-F343 PolarHBondContact N-O 2.92Å; L303-F343 PolarHBondContact O-N 3.41Å; L303-L355 HydrophobicContact CD1-CD1 4.49Å; L303-L355 HydrophobicContact CD2-CD2 3.83Å |
| 304 | A | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | L261 L264 M288 I340 S341 | L261-A304 HydrophobicContact CD1-CB 3.92Å; L264-A304 HydrophobicContact CD2-CB 4.5Å; M288-A304 HydrophobicContact CB-CB 4.38Å; M288-A304 HydrophobicContact CE-CB 3.79Å; M288-A304 PolarHBondContact N-O 2.81Å; M288-A304 PolarHBondContact O-N 3.37Å; A304-I340 HydrophobicContact CB-CG2 3.96Å; A304-S341 CarbonylContact C-O 3.53Å; A304-S341 WeakPolarHBondContact CA-O 3.48Å |
| 305 | V | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.1 | 180 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | L285 L286 L287 R313 V316 I340 S341 F343 | L285-V305 HydrophobicContact CD1-CG1 3.89Å; L285-V305 HydrophobicContact CD2-CG1 4.05Å; L285-V305 HydrophobicContact CG-CG1 4.14Å; L286-V305 WeakPolarHBondContact O-CA 2.96Å; L287-V305 HydrophobicContact CD1-CG2 3.72Å; V305-R313 HydrophobicContact CB-CG 4.16Å; V305-R313 HydrophobicContact CG1-CG 3.84Å; V305-R313 VanDerWaalsContact O-CD 3.26Å; V305-R313 WeakPolarHBondContact O-CD 3.43Å; V305-V316 HydrophobicContact CG1-CG1 3.5Å; V305-I340 CarbonylContact O-C 3.52Å; V305-I340 VanDerWaalsContact O-CA 3.32Å; V305-I340 WeakPolarHBondContact O-CA 3.35Å; V305-S341 PolarHBondContact N-O 2.65Å; V305-S341 PolarHBondContact O-N 2.87Å; V305-F343 HydrophobicContact CG2-CD2 4.38Å; V305-F343 HydrophobicContact CG2-CE2 3.95Å |
| 306 | F | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132 | 175.8 | 170.5 | -93.2 | 0 | 0 | 0 | 110.8 | L274 C278 L285 L286 M288 L339 I340 | L274-F306 HydrophobicContact CB-CD1 3.84Å; L274-F306 HydrophobicContact CB-CD2 3.96Å; L274-F306 HydrophobicContact CB-CE1 3.74Å; L274-F306 HydrophobicContact CB-CE2 3.87Å; L274-F306 HydrophobicContact CB-CG 3.95Å; L274-F306 HydrophobicContact CB-CZ 3.76Å; L274-F306 HydrophobicContact CD1-CB 3.89Å; L274-F306 HydrophobicContact CD1-CD1 4.41Å; L274-F306 HydrophobicContact CD1-CD2 3.72Å; L274-F306 HydrophobicContact CD1-CE2 4.35Å; L274-F306 HydrophobicContact CD1-CG 3.74Å; L274-F306 HydrophobicContact CG-CG 4.49Å; C278-F306 HydrophobicContact CB-CE1 4.42Å; L285-F306 WeakPolarHBondContact CA-O 3.47Å; L286-F306 HydrophobicContact CB-CB 4.24Å; L286-F306 HydrophobicContact CB-CD1 4.44Å; L286-F306 HydrophobicContact CD1-CD1 3.93Å; L286-F306 HydrophobicContact CG-CD1 4.05Å; L286-F306 PolarHBondContact N-O 2.81Å; L286-F306 PolarHBondContact O-N 3.14Å; M288-F306 HydrophobicContact CE-CB 3.99Å; F306-L339 HydrophobicContact CD2-CB 3.93Å; F306-L339 HydrophobicContact CE2-CB 3.71Å; F306-L339 HydrophobicContact CE2-CD1 4Å; F306-I340 HydrophobicContact CB-CG1 4.26Å; F306-I340 HydrophobicContact CD2-CG1 3.87Å |
| 307 | S | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | trans | -160.9 | 148.9 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | D284 S309 R313 L339 | D284-S307 WeakPolarHBondContact O-CB 3.44Å; D284-S307 PolarHBondContact O-OG 3.42Å; S307-S309 PolarHBondContact O-N 2.69Å; S307-S309 PolarHBondContact OG-N 2.71Å; S307-S309 VanDerWaalsContact OG-N 3.15Å; S307-R313 PolarHBondContact O-NH1 3.45Å; S307-L339 PolarHBondContact N-O 2.84Å | ||
| 308 | H | 96.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 37 Ų | 37 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -68.3 | -22.3 | 169.3 | -62.7 | 101.4 | 0 | 0 | 0 | 112.4 | S275 H279 | S275-H308 WeakPolarHBondContact CB-NE2 3.23Å; S275-H308 PolarHBondContact OG-CE1 2.96Å; S275-H308 PolarHBondContact OG-NE2 3.32Å; H279-H308 AromaticContact CE1-CE1 3.83Å; H279-H308 AromaticContact NE2-CE1 3.58Å |
| 309 | S | 95.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | trans | -93.6 | 111.5 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | S307 T311 C312 R313 | S307-S309 PolarHBondContact O-N 2.69Å; S307-S309 PolarHBondContact OG-N 2.71Å; S307-S309 VanDerWaalsContact OG-N 3.15Å; S309-T311 VanDerWaalsContact C-N 3.27Å; S309-T311 PolarHBondContact O-N 3.1Å; S309-C312 PolarHBondContact O-N 3.42Å; S309-C312 PolarHBondContact OG-N 3.03Å; S309-R313 WeakPolarHBondContact O-CB 3.1Å; S309-R313 PolarHBondContact O-N 2.73Å | ||
| 310 | S | 95.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | 175.2 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | R313 E314 | S310-R313 PolarHBondContact O-N 3.05Å; S310-E314 WeakPolarHBondContact O-CB 3.45Å; S310-E314 VanDerWaalsContact O-CG 3.29Å; S310-E314 WeakPolarHBondContact O-CG 3.2Å; S310-E314 PolarHBondContact O-N 2.78Å |
| 311 | T | 93.6 | Very high | 96.2 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 49% | 0.491 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | S309 R313 E314 Q315 | S309-T311 VanDerWaalsContact C-N 3.27Å; S309-T311 PolarHBondContact O-N 3.1Å; T311-R313 VanDerWaalsContact C-N 3.34Å; T311-R313 PolarHBondContact O-N 3.07Å; T311-E314 PolarHBondContact O-N 3.31Å; T311-Q315 HydrophobicContact CG2-CG 4.43Å; T311-Q315 WeakPolarHBondContact O-CB 3.5Å; T311-Q315 VanDerWaalsContact O-CG 3.23Å; T311-Q315 WeakPolarHBondContact O-CG 3.34Å; T311-Q315 PolarHBondContact O-N 3Å |
| 312 | C | 91.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | F250 S309 E314 Q315 V316 | F250-C312 HydrophobicContact CE1-CB 4.19Å; F250-C312 HydrophobicContact CZ-CB 4.41Å; S309-C312 PolarHBondContact O-N 3.42Å; S309-C312 PolarHBondContact OG-N 3.03Å; C312-E314 PolarHBondContact O-N 2.85Å; C312-Q315 PolarHBondContact O-N 3.02Å; C312-V316 PolarHBondContact O-N 3.04Å |
| 313 | R | 95.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.9 | -172.5 | 171.9 | 66.4 | -126.7 | 7.6 | 112.2 | V305 S307 S309 S310 T311 S317 P338 L339 S341 | V305-R313 HydrophobicContact CB-CG 4.16Å; V305-R313 HydrophobicContact CG1-CG 3.84Å; V305-R313 VanDerWaalsContact O-CD 3.26Å; V305-R313 WeakPolarHBondContact O-CD 3.43Å; S307-R313 PolarHBondContact O-NH1 3.45Å; S309-R313 WeakPolarHBondContact O-CB 3.1Å; S309-R313 PolarHBondContact O-N 2.73Å; S310-R313 PolarHBondContact O-N 3.05Å; T311-R313 VanDerWaalsContact C-N 3.34Å; T311-R313 PolarHBondContact O-N 3.07Å; R313-S317 WeakPolarHBondContact O-CB 3.36Å; R313-S317 PolarHBondContact O-N 3.48Å; R313-S317 PolarHBondContact O-OG 3.09Å; R313-P338 PolarHBondContact NH2-O 3.28Å; R313-L339 WeakPolarHBondContact CD-O 3.38Å; R313-L339 VanDerWaalsContact NH1-C 3.31Å; R313-L339 VanDerWaalsContact NH1-CA 3.31Å; R313-L339 PolarHBondContact NH1-O 2.89Å; R313-L339 VanDerWaalsContact NH1-O 3.08Å; R313-S341 WeakPolarHBondContact CD-OG 3.49Å; R313-S341 WeakPolarHBondContact CG-OG 3.34Å; R313-S341 PolarHBondContact NE-OG 3.06Å |
| 314 | E | 95.2 | Very high | 95.5 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 54% | 0.542 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 178 | -75 | 169.8 | -164.4 | 0 | 0 | 112.4 | S310 T311 C312 S318 | S310-E314 WeakPolarHBondContact O-CB 3.45Å; S310-E314 VanDerWaalsContact O-CG 3.29Å; S310-E314 WeakPolarHBondContact O-CG 3.2Å; S310-E314 PolarHBondContact O-N 2.78Å; T311-E314 PolarHBondContact O-N 3.31Å; C312-E314 PolarHBondContact O-N 2.85Å; E314-S318 VanDerWaalsContact O-CB 3.23Å; E314-S318 WeakPolarHBondContact O-CB 3.32Å; E314-S318 PolarHBondContact O-N 3.04Å; E314-S318 PolarHBondContact O-OG 2.95Å |
| 315 | Q | 95.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -53.7 | 178.1 | -77.9 | 174 | -38.3 | 0 | 0 | 111.7 | T311 C312 S317 S318 Y319 F362 | T311-Q315 HydrophobicContact CG2-CG 4.43Å; T311-Q315 WeakPolarHBondContact O-CB 3.5Å; T311-Q315 VanDerWaalsContact O-CG 3.23Å; T311-Q315 WeakPolarHBondContact O-CG 3.34Å; T311-Q315 PolarHBondContact O-N 3Å; C312-Q315 PolarHBondContact O-N 3.02Å; Q315-S317 VanDerWaalsContact C-N 3.34Å; Q315-S317 PolarHBondContact O-N 3.27Å; Q315-S318 PolarHBondContact O-N 3.44Å; Q315-Y319 WeakPolarHBondContact O-CB 3.24Å; Q315-Y319 PolarHBondContact O-N 2.96Å; Q315-F362 HydrophobicContact CB-CE2 4.14Å; Q315-F362 HydrophobicContact CB-CZ 4.2Å |
| 316 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | -179.8 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | L285 V305 C312 S318 Y319 L320 F362 | L285-V316 HydrophobicContact CD1-CB 4.39Å; L285-V316 HydrophobicContact CD1-CG1 3.54Å; L285-V316 HydrophobicContact CD2-CG1 4.31Å; V305-V316 HydrophobicContact CG1-CG1 3.5Å; C312-V316 PolarHBondContact O-N 3.04Å; V316-S318 PolarHBondContact O-N 3.47Å; V316-Y319 WeakPolarHBondContact O-CB 3.32Å; V316-Y319 PolarHBondContact O-N 3.16Å; V316-L320 HydrophobicContact CG2-CD1 4.12Å; V316-L320 HydrophobicContact CG2-CG 4.32Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.49Å; V316-L320 PolarHBondContact O-N 3.39Å; V316-F362 HydrophobicContact CB-CD1 4.42Å; V316-F362 HydrophobicContact CB-CE1 3.95Å; V316-F362 HydrophobicContact CB-CE2 4.32Å; V316-F362 HydrophobicContact CB-CZ 3.89Å; V316-F362 HydrophobicContact CG2-CD1 3.99Å; V316-F362 HydrophobicContact CG2-CE1 3.99Å; V316-F362 HydrophobicContact CG2-CG 4.36Å; V316-F362 HydrophobicContact CG2-CZ 4.35Å |
| 317 | S | 96.8 | Very high | 94 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | R313 Q315 Y319 L320 Q321 | R313-S317 WeakPolarHBondContact O-CB 3.36Å; R313-S317 PolarHBondContact O-N 3.48Å; R313-S317 PolarHBondContact O-OG 3.09Å; Q315-S317 VanDerWaalsContact C-N 3.34Å; Q315-S317 PolarHBondContact O-N 3.27Å; S317-Y319 VanDerWaalsContact C-N 3.27Å; S317-Y319 PolarHBondContact O-N 3.12Å; S317-L320 PolarHBondContact O-N 3.25Å; S317-Q321 WeakPolarHBondContact O-CB 3.26Å; S317-Q321 VanDerWaalsContact O-CG 3.27Å; S317-Q321 WeakPolarHBondContact O-CG 3.42Å; S317-Q321 PolarHBondContact O-N 2.97Å |
| 318 | S | 95.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | E314 Q315 V316 R322 | E314-S318 VanDerWaalsContact O-CB 3.23Å; E314-S318 WeakPolarHBondContact O-CB 3.32Å; E314-S318 PolarHBondContact O-N 3.04Å; E314-S318 PolarHBondContact O-OG 2.95Å; Q315-S318 PolarHBondContact O-N 3.44Å; V316-S318 PolarHBondContact O-N 3.47Å; S318-R322 WeakPolarHBondContact O-CG 3.31Å; S318-R322 PolarHBondContact O-N 3.05Å; S318-R322 PolarHBondContact O-NE 3.01Å |
| 319 | Y | 96.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -54.6 | 173 | -171.4 | -89.3 | 0 | 0 | 0 | 110.9 | Q315 V316 S317 Q321 R322 A323 L358 D361 F362 E365 | Q315-Y319 WeakPolarHBondContact O-CB 3.24Å; Q315-Y319 PolarHBondContact O-N 2.96Å; V316-Y319 WeakPolarHBondContact O-CB 3.32Å; V316-Y319 PolarHBondContact O-N 3.16Å; S317-Y319 VanDerWaalsContact C-N 3.27Å; S317-Y319 PolarHBondContact O-N 3.12Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 3.37Å; Y319-R322 PolarHBondContact O-N 3.5Å; Y319-A323 PolarHBondContact O-N 3.11Å; Y319-A323 VanDerWaalsContact O-N 3.12Å; Y319-L358 VanDerWaalsContact CE1-O 3.23Å; Y319-L358 WeakPolarHBondContact CE1-O 3.33Å; Y319-D361 WeakPolarHBondContact OH-CB 3.36Å; Y319-F362 HydrophobicContact CD1-CB 3.7Å; Y319-F362 HydrophobicContact CD1-CD2 4.32Å; Y319-F362 HydrophobicContact CD1-CG 4.39Å; Y319-F362 HydrophobicContact CD2-CB 4.26Å; Y319-F362 AromaticContact CD2-CD2 3.87Å; Y319-F362 HydrophobicContact CD2-CD2 3.87Å; Y319-F362 HydrophobicContact CE1-CB 3.79Å; Y319-F362 HydrophobicContact CE2-CB 4.34Å; Y319-F362 HydrophobicContact CG-CB 3.94Å; Y319-F362 AromaticContact CG-CD2 3.71Å; Y319-F362 HydrophobicContact CG-CD2 3.71Å; Y319-F362 HydrophobicContact CG-CG 4.22Å; Y319-E365 VanDerWaalsContact CE2-OE1 3.25Å; Y319-E365 WeakPolarHBondContact CE2-OE1 3.48Å; Y319-E365 WeakPolarHBondContact CE2-OE2 3.3Å; Y319-E365 PolarHBondContact OH-OE1 3.4Å |
| 320 | L | 96.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -34.5 | -177.6 | -66.6 | 176.6 | 0 | 0 | 0 | 112.7 | L287 V316 S317 R322 A323 L328 L330 L355 L358 | L287-L320 HydrophobicContact CD1-CD1 3.68Å; L287-L320 HydrophobicContact CD2-CD1 3.88Å; L287-L320 HydrophobicContact CG-CD1 4.45Å; V316-L320 HydrophobicContact CG2-CD1 4.12Å; V316-L320 HydrophobicContact CG2-CG 4.32Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.49Å; V316-L320 PolarHBondContact O-N 3.39Å; S317-L320 PolarHBondContact O-N 3.25Å; L320-R322 VanDerWaalsContact C-N 3.28Å; L320-R322 PolarHBondContact O-N 3.38Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.32Å; L320-L328 HydrophobicContact CB-CD1 4.13Å; L320-L328 HydrophobicContact CD2-CD1 4.15Å; L320-L330 HydrophobicContact CB-CD1 3.76Å; L320-L355 HydrophobicContact CD1-CD1 4.19Å; L320-L355 HydrophobicContact CD2-CD1 3.61Å; L320-L358 HydrophobicContact CD2-CB 4.06Å; L320-L358 HydrophobicContact CD2-CD1 4.49Å |
| 321 | Q | 95.8 | Very high | 93.9 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -30 | 174 | -75.2 | 179 | -60.6 | 0 | 0 | 113.2 | S317 Y319 L330 F343 | S317-Q321 WeakPolarHBondContact O-CB 3.26Å; S317-Q321 VanDerWaalsContact O-CG 3.27Å; S317-Q321 WeakPolarHBondContact O-CG 3.42Å; S317-Q321 PolarHBondContact O-N 2.97Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 3.37Å; Q321-L330 HydrophobicContact CG-CB 3.94Å; Q321-L330 HydrophobicContact CG-CD1 4.34Å; Q321-F343 HydrophobicContact CG-CE1 4.28Å |
| 322 | R | 95 | Very high | 94.1 | Very high | 180 Ų | 180 | 57.1 Ų | 57.1 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -92.5 | -8 | -179.7 | -69.7 | -176.2 | -64.9 | 160 | 3.5 | 113.5 | S318 Y319 L320 Q324 | S318-R322 WeakPolarHBondContact O-CG 3.31Å; S318-R322 PolarHBondContact O-N 3.05Å; S318-R322 PolarHBondContact O-NE 3.01Å; Y319-R322 PolarHBondContact O-N 3.5Å; L320-R322 VanDerWaalsContact C-N 3.28Å; L320-R322 PolarHBondContact O-N 3.38Å; R322-Q324 WeakPolarHBondContact O-CG 3.27Å; R322-Q324 PolarHBondContact O-N 3.23Å |
| 323 | A | 92.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | trans | -58.2 | 131.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y319 L320 T327 L358 | Y319-A323 PolarHBondContact O-N 3.11Å; Y319-A323 VanDerWaalsContact O-N 3.12Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.32Å; A323-T327 WeakPolarHBondContact O-CA 3.47Å; A323-L358 HydrophobicContact CB-CD1 3.81Å; A323-L358 HydrophobicContact CB-CD2 3.88Å; A323-L358 HydrophobicContact CB-CG 4.43Å | ||
| 324 | Q | 88.1 | Confident | 94.3 | Very high | 159 Ų | 159 | 61.9 Ų | 61.9 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | B | Isolated β-bridge | trans | -115.7 | -7.1 | -178.6 | -60.4 | -173 | 6.4 | 0 | 0 | 113.5 | R322 P326 T327 | R322-Q324 WeakPolarHBondContact O-CG 3.27Å; R322-Q324 PolarHBondContact O-N 3.23Å; Q324-P326 VanDerWaalsContact C-C 3.5Å; Q324-T327 PolarHBondContact O-N 3.06Å; Q324-T327 PolarHBondContact O-OG1 3.14Å |
| 325 | S | 87.3 | Confident | 94.3 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.3 | 80.6 | -173.5 | -73 | 0 | 0 | 0 | 0 | 111.4 | ||
| 326 | P | 86.4 | Confident | 94.2 | Very high | 37 Ų | 37 | 59 Ų | 59 | 24% | 0.24 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -83.9 | 153.6 | -1.6 | 30.8 | -28.3 | 0 | 0 | 0 | 112.8 | Q324 L328 K354 | Q324-P326 VanDerWaalsContact C-C 3.5Å; P326-L328 PolarHBondContact O-N 2.81Å; P326-K354 HydrophobicContact CG-CB 3.73Å; P326-K354 HydrophobicContact CG-CD 4.29Å; P326-K354 HydrophobicContact CG-CG 4.19Å |
| 327 | T | 91.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 123.3 | 166.9 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | A323 Q324 N347 | A323-T327 WeakPolarHBondContact O-CA 3.47Å; Q324-T327 PolarHBondContact O-N 3.06Å; Q324-T327 PolarHBondContact O-OG1 3.14Å; T327-N347 VanDerWaalsContact O-CB 3.27Å; T327-N347 WeakPolarHBondContact O-CB 3.29Å; T327-N347 PolarHBondContact O-ND2 3.25Å |
| 328 | L | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | trans | -82.8 | -29.8 | 175.6 | -61.9 | -179.7 | 0 | 0 | 0 | 112.2 | L303 L320 P326 L330 Q345 G346 N347 A350 L355 L358 | L303-L328 HydrophobicContact CD1-CD1 4.36Å; L320-L328 HydrophobicContact CB-CD1 4.13Å; L320-L328 HydrophobicContact CD2-CD1 4.15Å; P326-L328 PolarHBondContact O-N 2.81Å; L328-L330 HydrophobicContact CB-CD1 4.42Å; L328-L330 HydrophobicContact CB-CD2 3.89Å; L328-L330 HydrophobicContact CB-CG 3.76Å; L328-L330 HydrophobicContact CD1-CD1 4.06Å; L328-L330 HydrophobicContact CD1-CG 4.29Å; L328-Q345 HydrophobicContact CB-CG 4.44Å; L328-Q345 VanDerWaalsContact O-CG 3.28Å; L328-Q345 WeakPolarHBondContact O-CG 3.41Å; L328-G346 PolarHBondContact O-N 3.13Å; L328-N347 WeakPolarHBondContact O-CB 3.08Å; L328-N347 PolarHBondContact O-N 2.76Å; L328-A350 HydrophobicContact CD2-CB 3.6Å; L328-L355 HydrophobicContact CD1-CD1 3.78Å; L328-L358 HydrophobicContact CD1-CD1 3.94Å; L328-L358 HydrophobicContact CD2-CD1 4.11Å; L328-L358 HydrophobicContact CG-CD1 3.98Å | ||
| 329 | G | 94.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | trans | 67.3 | 43.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G346 | G329-G346 PolarHBondContact O-N 3.18Š| ||
| 330 | L | 97 | Very high | 94.4 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.6 | -176.2 | -60 | -175.6 | 0 | 0 | 0 | 111.8 | L303 L320 Q321 L328 F343 H344 Q345 | L303-L330 HydrophobicContact CD1-CD1 3.78Å; L303-L330 HydrophobicContact CD1-CD2 3.59Å; L303-L330 HydrophobicContact CD1-CG 4.32Å; L303-L330 HydrophobicContact CG-CD2 4.24Å; L320-L330 HydrophobicContact CB-CD1 3.76Å; Q321-L330 HydrophobicContact CG-CB 3.94Å; Q321-L330 HydrophobicContact CG-CD1 4.34Å; L328-L330 HydrophobicContact CB-CD1 4.42Å; L328-L330 HydrophobicContact CB-CD2 3.89Å; L328-L330 HydrophobicContact CB-CG 3.76Å; L328-L330 HydrophobicContact CD1-CD1 4.06Å; L328-L330 HydrophobicContact CD1-CG 4.29Å; L330-F343 HydrophobicContact CB-CB 4.19Å; L330-F343 HydrophobicContact CB-CD1 4.26Å; L330-F343 HydrophobicContact CB-CG 4.4Å; L330-F343 HydrophobicContact CD2-CB 4.21Å; L330-H344 WeakPolarHBondContact CA-O 3.19Å; L330-Q345 HydrophobicContact CD2-CB 3.91Å; L330-Q345 HydrophobicContact CD2-CG 3.87Å |
| 331 | S | 96.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.4 | 168.6 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | A333 F343 H344 | S331-A333 PolarHBondContact O-N 2.84Å; S331-F343 CarbonylContact O-C 3.48Å; S331-F343 WeakPolarHBondContact O-CA 3.23Å; S331-H344 PolarHBondContact N-O 2.88Å; S331-H344 PolarHBondContact O-N 3.37Å |
| 332 | P | 97.3 | Very high | 94.6 | Very high | 98 Ų | 98 | 61.3 Ų | 61.3 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 135.5 | 179.1 | -24.6 | 34.2 | 0 | 0 | 0 | 112.1 | ||
| 333 | A | 96.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | trans | -108.9 | 153.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L261 S331 C335 A342 | L261-A333 HydrophobicContact CD2-CB 3.87Å; S331-A333 PolarHBondContact O-N 2.84Å; A333-C335 PolarHBondContact O-N 3.29Å; A333-A342 HydrophobicContact CB-CB 4.12Å; A333-A342 PolarHBondContact N-O 2.85Å | ||
| 334 | P | 95.3 | Very high | 95 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | trans | -58.2 | 131.4 | 173.8 | -22.3 | 33.5 | 0 | 0 | 0 | 111.5 | ||||
| 335 | C | 95.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | trans | -139.9 | 123 | 178.9 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | A333 H337 A342 | A333-C335 PolarHBondContact O-N 3.29Å; C335-H337 VanDerWaalsContact C-N 3.3Å; C335-A342 HydrophobicContact CB-CB 3.86Å | ||
| 336 | P | 94.4 | Very high | 95.7 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | trans | -82.7 | -7.5 | 178 | 33.1 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 337 | H | 96.8 | Very high | 96 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | trans | -102.3 | 116.2 | -169.6 | -66.8 | -66.7 | 0 | 0 | 0 | 111.2 | L265 E271 C335 L339 I340 | L265-H337 PolarHBondContact O-NE2 2.65Å; E271-H337 HydrophobicContact CG-CB 3.99Å; E271-H337 VanDerWaalsContact OE1-C 3.3Å; E271-H337 WeakPolarHBondContact OE1-CA 3.39Å; E271-H337 WeakPolarHBondContact OE1-CB 3.45Å; C335-H337 VanDerWaalsContact C-N 3.3Å; H337-L339 PolarHBondContact O-N 2.8Å; H337-I340 HydrophobicContact CB-CB 4Å; H337-I340 HydrophobicContact CB-CD1 3.75Å; H337-I340 HydrophobicContact CB-CG1 3.91Å; H337-I340 PolarHBondContact O-N 2.95Å; H337-I340 VanDerWaalsContact O-N 3.14Å | ||
| 338 | P | 95.5 | Very high | 95.8 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.3 | -175.8 | 26.9 | -36.9 | 0 | 0 | 0 | 114.5 | E271 R313 I340 | E271-P338 WeakPolarHBondContact OE1-CD 3.45Å; E271-P338 VanDerWaalsContact OE1-N 3.13Å; R313-P338 PolarHBondContact NH2-O 3.28Å; P338-I340 VanDerWaalsContact C-N 3.33Å |
| 339 | L | 97.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.5 | 177.7 | -59.7 | -178.2 | 0 | 0 | 0 | 113.4 | E271 F306 S307 R313 H337 | E271-L339 HydrophobicContact CG-CB 4.47Å; E271-L339 VanDerWaalsContact OE1-CB 3.29Å; E271-L339 WeakPolarHBondContact OE1-CB 3.44Å; E271-L339 PolarHBondContact OE1-N 3.08Å; F306-L339 HydrophobicContact CD2-CB 3.93Å; F306-L339 HydrophobicContact CE2-CB 3.71Å; F306-L339 HydrophobicContact CE2-CD1 4Å; S307-L339 PolarHBondContact N-O 2.84Å; R313-L339 WeakPolarHBondContact CD-O 3.38Å; R313-L339 VanDerWaalsContact NH1-C 3.31Å; R313-L339 VanDerWaalsContact NH1-CA 3.31Å; R313-L339 PolarHBondContact NH1-O 2.89Å; R313-L339 VanDerWaalsContact NH1-O 3.08Å; H337-L339 PolarHBondContact O-N 2.8Å |
| 340 | I | 98.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.8 | -174.4 | -55.6 | 178.4 | 0 | 0 | 0 | 110.8 | L265 L270 L274 A304 V305 F306 H337 P338 | L265-I340 HydrophobicContact CD2-CD1 4.32Å; L265-I340 HydrophobicContact CD2-CG2 4.2Å; L270-I340 HydrophobicContact CD2-CD1 3.6Å; L270-I340 HydrophobicContact CG-CD1 4.18Å; L274-I340 HydrophobicContact CD1-CD1 3.88Å; A304-I340 HydrophobicContact CB-CG2 3.96Å; V305-I340 CarbonylContact O-C 3.52Å; V305-I340 VanDerWaalsContact O-CA 3.32Å; V305-I340 WeakPolarHBondContact O-CA 3.35Å; F306-I340 HydrophobicContact CB-CG1 4.26Å; F306-I340 HydrophobicContact CD2-CG1 3.87Å; H337-I340 HydrophobicContact CB-CB 4Å; H337-I340 HydrophobicContact CB-CD1 3.75Å; H337-I340 HydrophobicContact CB-CG1 3.91Å; H337-I340 PolarHBondContact O-N 2.95Å; H337-I340 VanDerWaalsContact O-N 3.14Å; P338-I340 VanDerWaalsContact C-N 3.33Å |
| 341 | S | 98.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.7 | 166.5 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | A304 V305 R313 | A304-S341 CarbonylContact C-O 3.53Å; A304-S341 WeakPolarHBondContact CA-O 3.48Å; V305-S341 PolarHBondContact N-O 2.65Å; V305-S341 PolarHBondContact O-N 2.87Å; R313-S341 WeakPolarHBondContact CD-OG 3.49Å; R313-S341 WeakPolarHBondContact CG-OG 3.34Å; R313-S341 PolarHBondContact NE-OG 3.06Å |
| 342 | A | 98.2 | Very high | 95 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L261 L265 L303 A333 C335 | L261-A342 HydrophobicContact CD1-CB 4.33Å; L261-A342 HydrophobicContact CD2-CB 4.04Å; L265-A342 HydrophobicContact CD1-CB 4.26Å; L303-A342 CarbonylContact O-C 3.54Å; L303-A342 WeakPolarHBondContact O-CA 3.45Å; A333-A342 HydrophobicContact CB-CB 4.12Å; A333-A342 PolarHBondContact N-O 2.85Å; C335-A342 HydrophobicContact CB-CB 3.86Å |
| 343 | F | 98.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 135.9 | -175.2 | -55 | -86.8 | 0 | 0 | 0 | 111.7 | E302 L303 V305 Q321 L330 S331 | E302-F343 WeakPolarHBondContact CB-O 3.27Å; L303-F343 HydrophobicContact CB-CB 4.39Å; L303-F343 PolarHBondContact N-O 2.92Å; L303-F343 PolarHBondContact O-N 3.41Å; V305-F343 HydrophobicContact CG2-CD2 4.38Å; V305-F343 HydrophobicContact CG2-CE2 3.95Å; Q321-F343 HydrophobicContact CG-CE1 4.28Å; L330-F343 HydrophobicContact CB-CB 4.19Å; L330-F343 HydrophobicContact CB-CD1 4.26Å; L330-F343 HydrophobicContact CB-CG 4.4Å; L330-F343 HydrophobicContact CD2-CB 4.21Å; S331-F343 CarbonylContact O-C 3.48Å; S331-F343 WeakPolarHBondContact O-CA 3.23Å |
| 344 | H | 97.7 | Very high | 94.3 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.6 | 160.9 | -57.7 | -61.1 | 0 | 0 | 0 | 109 | E302 L330 S331 | E302-H344 IonicContact OE1-CE1 2.84Å; E302-H344 PolarHBondContact OE1-CE1 3.39Å; E302-H344 IonicContact OE1-ND1 2.7Å; E302-H344 PolarHBondContact OE1-ND1 2.98Å; L330-H344 WeakPolarHBondContact CA-O 3.19Å; S331-H344 PolarHBondContact N-O 2.88Å; S331-H344 PolarHBondContact O-N 3.37Å |
| 345 | Q | 97.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 106.4 | 177.6 | -170.5 | -179 | -65.4 | 0 | 0 | 110.4 | R301 L328 L330 N347 A350 | R301-Q345 HydrophobicContact CB-CB 4.49Å; R301-Q345 VanDerWaalsContact O-CB 3.24Å; R301-Q345 WeakPolarHBondContact O-CB 3.45Å; R301-Q345 PolarHBondContact O-N 3.03Å; L328-Q345 HydrophobicContact CB-CG 4.44Å; L328-Q345 VanDerWaalsContact O-CG 3.28Å; L328-Q345 WeakPolarHBondContact O-CG 3.41Å; L330-Q345 HydrophobicContact CD2-CB 3.91Å; L330-Q345 HydrophobicContact CD2-CG 3.87Å; Q345-N347 VanDerWaalsContact C-N 3.28Å; Q345-N347 PolarHBondContact NE2-O 3.02Å; Q345-N347 PolarHBondContact O-N 3.34Å; Q345-A350 PolarHBondContact NE2-O 3.49Å |
| 346 | G | 93.7 | Very high | 94 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 69% | 0.691 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -63.2 | -32.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L328 G329 A348 | L328-G346 PolarHBondContact O-N 3.13Å; G329-G346 PolarHBondContact O-N 3.18Å; G346-A348 PolarHBondContact O-N 2.9Å |
| 347 | N | 91.9 | Very high | 94 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | trans | -93 | 83.6 | 174.7 | -175.7 | 1.4 | 0 | 0 | 0 | 111.2 | T327 L328 Q345 L349 A350 | T327-N347 VanDerWaalsContact O-CB 3.27Å; T327-N347 WeakPolarHBondContact O-CB 3.29Å; T327-N347 PolarHBondContact O-ND2 3.25Å; L328-N347 WeakPolarHBondContact O-CB 3.08Å; L328-N347 PolarHBondContact O-N 2.76Å; Q345-N347 VanDerWaalsContact C-N 3.28Å; Q345-N347 PolarHBondContact NE2-O 3.02Å; Q345-N347 PolarHBondContact O-N 3.34Å; N347-L349 PolarHBondContact O-N 3.37Å; N347-L349 VanDerWaalsContact O-N 3.11Å; N347-L349 PolarHBondContact OD1-N 3.24Å; N347-A350 HydrophobicContact CB-CB 4.39Å; N347-A350 WeakPolarHBondContact O-CB 3.48Å; N347-A350 PolarHBondContact O-N 3.48Å | ||
| 348 | A | 87.8 | Confident | 93.9 | Very high | 28 Ų | 28 | 43 Ų | 43 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P299 R301 G346 A350 | P299-A348 VanDerWaalsContact O-CB 3.32Å; P299-A348 WeakPolarHBondContact O-CB 3.29Å; R301-A348 WeakPolarHBondContact CD-O 3.4Å; R301-A348 PolarHBondContact NE-O 2.96Å; G346-A348 PolarHBondContact O-N 2.9Å; A348-A350 VanDerWaalsContact C-N 3.35Å |
| 349 | L | 87.5 | Confident | 93.8 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 58% | 0.581 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.9 | 175.7 | -61.6 | 178.6 | 0 | 0 | 0 | 112.8 | N347 S351 | N347-L349 PolarHBondContact O-N 3.37Å; N347-L349 VanDerWaalsContact O-N 3.11Å; N347-L349 PolarHBondContact OD1-N 3.24Å; L349-S351 PolarHBondContact O-N 2.95Å |
| 350 | A | 90.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | trans | -76.9 | 85.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L328 Q345 N347 A348 K354 | L328-A350 HydrophobicContact CD2-CB 3.6Å; Q345-A350 PolarHBondContact NE2-O 3.49Å; N347-A350 HydrophobicContact CB-CB 4.39Å; N347-A350 WeakPolarHBondContact O-CB 3.48Å; N347-A350 PolarHBondContact O-N 3.48Å; A348-A350 VanDerWaalsContact C-N 3.35Å; A350-K354 HydrophobicContact CB-CB 4.11Å | ||
| 351 | S | 92.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | trans | -72.7 | 178 | 175.8 | 75 | 0 | 0 | 0 | 0 | 112.5 | R301 L349 K353 K354 L355 D396 | R301-S351 VanDerWaalsContact CZ-CB 3.5Å; L349-S351 PolarHBondContact O-N 2.95Å; S351-K353 PolarHBondContact O-N 2.94Å; S351-K353 PolarHBondContact OG-N 2.93Å; S351-K354 WeakPolarHBondContact O-CA 2.99Å; S351-K354 WeakPolarHBondContact O-CB 3.36Å; S351-K354 PolarHBondContact O-N 3.22Å; S351-L355 PolarHBondContact O-N 2.9Å; S351-L355 VanDerWaalsContact O-N 3.07Å; S351-D396 WeakPolarHBondContact CB-OD1 3.27Å; S351-D396 PolarHBondContact OG-OD1 2.81Å; S351-D396 VanDerWaalsContact OG-OD1 3.04Å | ||
| 352 | R | 94 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50 | -33.5 | 174.1 | -178.5 | -171.5 | 61.5 | -162.8 | -8 | 112.1 | D242 I254 V256 M289 K354 L355 L356 S388 | D242-R352 VanDerWaalsContact CG-NH1 3.3Å; D242-R352 PolarHBondContact O-NH1 3.05Å; D242-R352 IonicContact OD1-CZ 3.68Å; D242-R352 IonicContact OD1-NH1 3.96Å; D242-R352 PolarHBondContact OD1-NH1 3.29Å; D242-R352 IonicContact OD1-NH2 3.38Å; D242-R352 PolarHBondContact OD1-NH2 2.96Å; D242-R352 IonicContact OD2-CZ 2.69Å; D242-R352 IonicContact OD2-NH1 3.55Å; D242-R352 IonicContact OD2-NH2 3.52Å; I254-R352 HydrophobicContact CB-CG 4.44Å; I254-R352 HydrophobicContact CG2-CG 3.79Å; I254-R352 WeakPolarHBondContact O-CD 3.05Å; V256-R352 HydrophobicContact CG2-CB 3.78Å; V256-R352 HydrophobicContact CG2-CG 4.36Å; M289-R352 HydrophobicContact SD-CB 4.4Å; M289-R352 PolarHBondContact SD-N 3.32Å; M289-R352 VanDerWaalsContact SD-N 3.37Å; R352-K354 PolarHBondContact O-N 3.2Å; R352-L355 CarbonylContact O-C 3.56Å; R352-L355 WeakPolarHBondContact O-CB 3.46Å; R352-L355 PolarHBondContact O-N 3.13Å; R352-L355 VanDerWaalsContact O-N 3.1Å; R352-L356 WeakPolarHBondContact O-CB 3.48Å; R352-L356 PolarHBondContact O-N 3.04Å; R352-S388 PolarHBondContact NH2-OG 3.04Å |
| 353 | K | 88.6 | Confident | 93 | Very high | 105 Ų | 105 | 41.4 Ų | 41.4 | 46% | 0.457 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -32.8 | 176.9 | -173.9 | 173.7 | -166.6 | 144.9 | 0 | 113.4 | S351 P357 D391 | S351-K353 PolarHBondContact O-N 2.94Å; S351-K353 PolarHBondContact OG-N 2.93Å; K353-P357 WeakPolarHBondContact O-CD 3.46Å; K353-D391 WeakPolarHBondContact CD-OD1 3.17Å; K353-D391 WeakPolarHBondContact CE-OD1 3.49Å; K353-D391 IonicContact NZ-OD1 3.81Å; K353-D391 PolarHBondContact NZ-OD1 3.02Å |
| 354 | K | 91.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 48.5 Ų | 48.5 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -83.3 | -29.1 | 174.3 | -66.1 | -53.1 | -175.8 | -178.9 | 0 | 112.3 | P326 A350 S351 R352 | P326-K354 HydrophobicContact CG-CB 3.73Å; P326-K354 HydrophobicContact CG-CD 4.29Å; P326-K354 HydrophobicContact CG-CG 4.19Å; A350-K354 HydrophobicContact CB-CB 4.11Å; S351-K354 WeakPolarHBondContact O-CA 2.99Å; S351-K354 WeakPolarHBondContact O-CB 3.36Å; S351-K354 PolarHBondContact O-N 3.22Å; R352-K354 PolarHBondContact O-N 3.2Å |
| 355 | L | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 176.5 | -171.6 | 59.2 | 0 | 0 | 0 | 112.7 | I254 L287 M289 L303 L320 L328 S351 R352 L358 V359 | I254-L355 HydrophobicContact CG2-CD2 3.98Å; L287-L355 HydrophobicContact CD2-CD1 4.05Å; L287-L355 HydrophobicContact CD2-CD2 3.58Å; L287-L355 HydrophobicContact CD2-CG 3.79Å; L287-L355 HydrophobicContact CG-CD2 3.92Å; M289-L355 HydrophobicContact CE-CB 4.17Å; M289-L355 HydrophobicContact CE-CD2 3.69Å; L303-L355 HydrophobicContact CD1-CD1 4.49Å; L303-L355 HydrophobicContact CD2-CD2 3.83Å; L320-L355 HydrophobicContact CD1-CD1 4.19Å; L320-L355 HydrophobicContact CD2-CD1 3.61Å; L328-L355 HydrophobicContact CD1-CD1 3.78Å; S351-L355 PolarHBondContact O-N 2.9Å; S351-L355 VanDerWaalsContact O-N 3.07Å; R352-L355 CarbonylContact O-C 3.56Å; R352-L355 WeakPolarHBondContact O-CB 3.46Å; R352-L355 PolarHBondContact O-N 3.13Å; R352-L355 VanDerWaalsContact O-N 3.1Å; L355-L358 WeakPolarHBondContact O-CB 3.29Å; L355-L358 PolarHBondContact O-N 3.47Å; L355-V359 HydrophobicContact CD1-CG2 4.49Å; L355-V359 HydrophobicContact CG-CG2 4.26Å; L355-V359 WeakPolarHBondContact O-CG2 3.44Å; L355-V359 PolarHBondContact O-N 3.42Å |
| 356 | L | 92.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | -174.4 | 177.4 | 70.8 | 0 | 0 | 0 | 113 | K244 V246 I254 R352 L358 V359 Q360 | K244-L356 HydrophobicContact CB-CD1 4.38Å; V246-L356 HydrophobicContact CG1-CD1 3.41Å; V246-L356 VanDerWaalsContact CG1-CD1 3.41Å; I254-L356 HydrophobicContact CD1-CD1 3.72Å; R352-L356 WeakPolarHBondContact O-CB 3.48Å; R352-L356 PolarHBondContact O-N 3.04Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.34Å; L356-V359 PolarHBondContact O-N 3.02Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.43Å |
| 357 | P | 93.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 173.8 | -24.9 | 34.5 | 0 | 0 | 0 | 113.2 | K353 V359 Q360 D361 | K353-P357 WeakPolarHBondContact O-CD 3.46Å; P357-V359 VanDerWaalsContact C-N 3.31Å; P357-V359 PolarHBondContact O-N 3.12Å; P357-Q360 PolarHBondContact O-N 2.99Å; P357-D361 PolarHBondContact O-N 3.05Å |
| 358 | L | 95.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.2 | -61.8 | 174.3 | 0 | 0 | 0 | 111.6 | Y319 L320 A323 L328 L355 L356 D361 F362 | Y319-L358 VanDerWaalsContact CE1-O 3.23Å; Y319-L358 WeakPolarHBondContact CE1-O 3.33Å; L320-L358 HydrophobicContact CD2-CB 4.06Å; L320-L358 HydrophobicContact CD2-CD1 4.49Å; A323-L358 HydrophobicContact CB-CD1 3.81Å; A323-L358 HydrophobicContact CB-CD2 3.88Å; A323-L358 HydrophobicContact CB-CG 4.43Å; L328-L358 HydrophobicContact CD1-CD1 3.94Å; L328-L358 HydrophobicContact CD2-CD1 4.11Å; L328-L358 HydrophobicContact CG-CD1 3.98Å; L355-L358 WeakPolarHBondContact O-CB 3.29Å; L355-L358 PolarHBondContact O-N 3.47Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.34Å; L358-D361 PolarHBondContact O-N 3.27Å; L358-F362 WeakPolarHBondContact O-CB 3.45Å; L358-F362 PolarHBondContact O-N 3.23Å |
| 359 | V | 94.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | V246 I252 I254 L287 L355 L356 P357 F362 L363 | V246-V359 HydrophobicContact CG2-CG1 3.72Å; I252-V359 HydrophobicContact CB-CG1 4.38Å; I252-V359 HydrophobicContact CD1-CG1 3.65Å; I252-V359 HydrophobicContact CG2-CG1 4.16Å; I254-V359 HydrophobicContact CD1-CB 4Å; I254-V359 HydrophobicContact CD1-CG1 4.11Å; I254-V359 HydrophobicContact CD1-CG2 3.84Å; L287-V359 HydrophobicContact CD2-CG2 3.37Å; L355-V359 HydrophobicContact CD1-CG2 4.49Å; L355-V359 HydrophobicContact CG-CG2 4.26Å; L355-V359 WeakPolarHBondContact O-CG2 3.44Å; L355-V359 PolarHBondContact O-N 3.42Å; L356-V359 PolarHBondContact O-N 3.02Å; P357-V359 VanDerWaalsContact C-N 3.31Å; P357-V359 PolarHBondContact O-N 3.12Å; V359-F362 WeakPolarHBondContact O-CB 3.43Å; V359-F362 PolarHBondContact O-N 3.41Å; V359-L363 WeakPolarHBondContact O-CG 3.16Å; V359-L363 PolarHBondContact O-N 3.39Å |
| 360 | Q | 93.8 | Very high | 86.9 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 173.6 | -70 | 173.3 | -28 | 0 | 0 | 111.8 | V246 L356 P357 L363 R364 | V246-Q360 HydrophobicContact CG1-CG 4.07Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.43Å; P357-Q360 PolarHBondContact O-N 2.99Å; Q360-L363 PolarHBondContact O-N 3.48Å; Q360-R364 WeakPolarHBondContact O-CG 3.21Å; Q360-R364 PolarHBondContact O-N 2.94Å |
| 361 | D | 93.8 | Very high | 84.3 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.2 | -65.2 | -13.9 | 0 | 0 | 0 | 111.1 | Y319 P357 L358 L363 R364 E365 | Y319-D361 WeakPolarHBondContact OH-CB 3.36Å; P357-D361 PolarHBondContact O-N 3.05Å; L358-D361 PolarHBondContact O-N 3.27Å; D361-L363 PolarHBondContact O-N 3.22Å; D361-R364 PolarHBondContact O-N 2.94Å; D361-R364 IonicContact OD1-CZ 2.98Å; D361-R364 IonicContact OD1-NE 3.87Å; D361-R364 IonicContact OD1-NH2 3.4Å; D361-R364 PolarHBondContact OD1-NH2 3.26Å; D361-E365 PolarHBondContact O-N 3.42Å |
| 362 | F | 94.6 | Very high | 81.9 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.6 | -47.8 | 174.2 | 167.9 | -105.8 | 0 | 0 | 0 | 112.4 | F250 I252 Q315 V316 Y319 L358 V359 E365 C366 | F250-F362 HydrophobicContact CD2-CE1 4.01Å; F250-F362 HydrophobicContact CD2-CZ 4.37Å; F250-F362 HydrophobicContact CE2-CE1 4.26Å; F250-F362 HydrophobicContact CE2-CZ 4.16Å; I252-F362 HydrophobicContact CD1-CD1 4.29Å; I252-F362 HydrophobicContact CD1-CE1 4.27Å; Q315-F362 HydrophobicContact CB-CE2 4.14Å; Q315-F362 HydrophobicContact CB-CZ 4.2Å; V316-F362 HydrophobicContact CB-CD1 4.42Å; V316-F362 HydrophobicContact CB-CE1 3.95Å; V316-F362 HydrophobicContact CB-CE2 4.32Å; V316-F362 HydrophobicContact CB-CZ 3.89Å; V316-F362 HydrophobicContact CG2-CD1 3.99Å; V316-F362 HydrophobicContact CG2-CE1 3.99Å; V316-F362 HydrophobicContact CG2-CG 4.36Å; V316-F362 HydrophobicContact CG2-CZ 4.35Å; Y319-F362 HydrophobicContact CD1-CB 3.7Å; Y319-F362 HydrophobicContact CD1-CD2 4.32Å; Y319-F362 HydrophobicContact CD1-CG 4.39Å; Y319-F362 HydrophobicContact CD2-CB 4.26Å; Y319-F362 AromaticContact CD2-CD2 3.87Å; Y319-F362 HydrophobicContact CD2-CD2 3.87Å; Y319-F362 HydrophobicContact CE1-CB 3.79Å; Y319-F362 HydrophobicContact CE2-CB 4.34Å; Y319-F362 HydrophobicContact CG-CB 3.94Å; Y319-F362 AromaticContact CG-CD2 3.71Å; Y319-F362 HydrophobicContact CG-CD2 3.71Å; Y319-F362 HydrophobicContact CG-CG 4.22Å; L358-F362 WeakPolarHBondContact O-CB 3.45Å; L358-F362 PolarHBondContact O-N 3.23Å; V359-F362 WeakPolarHBondContact O-CB 3.43Å; V359-F362 PolarHBondContact O-N 3.41Å; F362-E365 PolarHBondContact O-N 3.08Å; F362-C366 VanDerWaalsContact CE2-SG 3.6Å; F362-C366 PolarHBondContact O-N 3.1Å; F362-C366 PolarHBondContact O-SG 3.4Å |
| 363 | L | 93.6 | Very high | 78.9 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177.8 | -74.2 | 175 | 0 | 0 | 0 | 111.2 | V246 F250 I252 V359 Q360 D361 E365 C366 D367 | V246-L363 HydrophobicContact CB-CD1 4.02Å; V246-L363 HydrophobicContact CG2-CD1 3.69Å; F250-L363 HydrophobicContact CB-CD2 3.99Å; F250-L363 HydrophobicContact CD2-CD2 4.1Å; I252-L363 HydrophobicContact CD1-CD1 4.33Å; I252-L363 HydrophobicContact CD1-CD2 3.85Å; I252-L363 HydrophobicContact CD1-CG 4.14Å; I252-L363 HydrophobicContact CG1-CD2 4.47Å; V359-L363 WeakPolarHBondContact O-CG 3.16Å; V359-L363 PolarHBondContact O-N 3.39Å; Q360-L363 PolarHBondContact O-N 3.48Å; D361-L363 PolarHBondContact O-N 3.22Å; L363-E365 VanDerWaalsContact C-N 3.3Å; L363-E365 PolarHBondContact O-N 2.78Å; L363-C366 WeakPolarHBondContact O-CB 3.41Å; L363-C366 PolarHBondContact O-N 3.34Å; L363-C366 VanDerWaalsContact O-N 3.09Å; L363-D367 WeakPolarHBondContact O-CB 3.17Å; L363-D367 PolarHBondContact O-N 2.82Å |
| 364 | R | 92.5 | Very high | 76.4 | Confident | 164 Ų | 164 | 71 Ų | 71 | 62% | 0.619 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.3 | -37.4 | 176.6 | -73.8 | -172.1 | -73.1 | 178.8 | -8.2 | 113.2 | Q360 D361 G368 | Q360-R364 WeakPolarHBondContact O-CG 3.21Å; Q360-R364 PolarHBondContact O-N 2.94Å; D361-R364 PolarHBondContact O-N 2.94Å; D361-R364 IonicContact OD1-CZ 2.98Å; D361-R364 IonicContact OD1-NE 3.87Å; D361-R364 IonicContact OD1-NH2 3.4Å; D361-R364 PolarHBondContact OD1-NH2 3.26Å; R364-G368 PolarHBondContact O-N 3.38Å |
| 365 | E | 91.5 | Very high | 73.5 | Confident | 119 Ų | 119 | 69 Ų | 69 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.7 | -35.7 | 174.9 | -74.6 | -178.8 | -143.9 | 0 | 0 | 112.4 | Y319 D361 F362 L363 A369 | Y319-E365 VanDerWaalsContact CE2-OE1 3.25Å; Y319-E365 WeakPolarHBondContact CE2-OE1 3.48Å; Y319-E365 WeakPolarHBondContact CE2-OE2 3.3Å; Y319-E365 PolarHBondContact OH-OE1 3.4Å; D361-E365 PolarHBondContact O-N 3.42Å; F362-E365 PolarHBondContact O-N 3.08Å; L363-E365 VanDerWaalsContact C-N 3.3Å; L363-E365 PolarHBondContact O-N 2.78Å; E365-A369 PolarHBondContact O-N 3.09Å |
| 366 | C | 88.3 | Confident | 70.8 | Confident | 31 Ų | 31 | 79 Ų | 79 | 21% | 0.209 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -68.4 | -45.3 | 173.6 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | F250 F362 L363 A369 | F250-C366 HydrophobicContact CE2-CB 4.46Å; F362-C366 VanDerWaalsContact CE2-SG 3.6Å; F362-C366 PolarHBondContact O-N 3.1Å; F362-C366 PolarHBondContact O-SG 3.4Å; L363-C366 WeakPolarHBondContact O-CB 3.41Å; L363-C366 PolarHBondContact O-N 3.34Å; L363-C366 VanDerWaalsContact O-N 3.09Å; C366-A369 WeakPolarHBondContact O-CB 3.03Å; C366-A369 PolarHBondContact O-N 2.78Å |
| 367 | D | 84 | Confident | 68 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 33% | 0.332 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.3 | -65.6 | -26 | 0 | 0 | 0 | 111.1 | S249 L363 A369 G370 | S249-D367 WeakPolarHBondContact CA-OD1 3.43Å; S249-D367 WeakPolarHBondContact CB-OD1 3.37Å; S249-D367 PolarHBondContact N-OD1 2.77Å; S249-D367 PolarHBondContact OG-N 2.96Å; S249-D367 PolarHBondContact OG-OD1 3.39Å; L363-D367 WeakPolarHBondContact O-CB 3.17Å; L363-D367 PolarHBondContact O-N 2.82Å; D367-A369 PolarHBondContact O-N 2.86Å; D367-G370 CarbonylContact O-C 3.59Å; D367-G370 PolarHBondContact O-N 2.87Å |
| 368 | G | 66.9 | Low | 65.2 | Low | 69 Ų | 69 | 91.2 Ų | 91.2 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R364 | R364-G368 PolarHBondContact O-N 3.38Š|
| 369 | A | 56.3 | Low | 62.5 | Low | 93 Ų | 93 | 95.2 Ų | 95.2 | 77% | 0.769 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E365 C366 D367 | E365-A369 PolarHBondContact O-N 3.09Å; C366-A369 WeakPolarHBondContact O-CB 3.03Å; C366-A369 PolarHBondContact O-N 2.78Å; D367-A369 PolarHBondContact O-N 2.86Å |
| 370 | G | 46.1 | Very low | 60.2 | Low | 45 Ų | 45 | 100.2 Ų | 100.2 | 46% | 0.464 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -122.1 | 141.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D367 L372 | D367-G370 CarbonylContact O-C 3.59Å; D367-G370 PolarHBondContact O-N 2.87Å; G370-L372 PolarHBondContact O-N 2.9Å |
| 371 | C | 35.1 | Very low | 58.3 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 94% | 0.939 | 58% | 0.579 | S | S | * | * | trans | -61.5 | 138.8 | -178.1 | -73.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 372 | L | 41.8 | Very low | 56.6 | Low | 168 Ų | 168 | 96.8 Ų | 96.8 | 88% | 0.88 | 58% | 0.583 | S | S | * | * | trans | -48.4 | 136.1 | 175.6 | -72.9 | 156 | 0 | 0 | 0 | 113.5 | G370 | G370-L372 PolarHBondContact O-N 2.9Š| ||
| 373 | G | 31.9 | Very low | 55.2 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | -130.5 | 108.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A375 | G373-A375 PolarHBondContact O-N 3.05Š| ||
| 374 | D | 35 | Very low | 54.2 | Low | 165 Ų | 165 | 103.5 Ų | 103.5 | 88% | 0.882 | 63% | 0.627 | S | S | * | * | trans | -61.2 | 101.8 | 164.7 | -71.4 | -42 | 0 | 0 | 0 | 108 | ||||
| 375 | A | 31.3 | Very low | 53.2 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | trans | -132.2 | 107.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107 | G373 E377 | G373-A375 PolarHBondContact O-N 3.05Å; A375-E377 HydrophobicContact CB-CG 4.4Å; A375-E377 PolarHBondContact O-N 2.81Å | ||
| 376 | E | 34.9 | Very low | 52 | Low | 209 Ų | 209 | 94.4 Ų | 94.4 | 98% | 0.977 | 60% | 0.598 | S | S | * | * | trans | -64 | 72.7 | 157.5 | -68.5 | -179.7 | 159.5 | 0 | 0 | 108 | ||||
| 377 | E | 33.6 | Very low | 50.8 | Low | 167 Ų | 167 | 93.7 Ų | 93.7 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 121.5 | 161.7 | -78 | -174.2 | 168.2 | 0 | 0 | 107 | A375 | A375-E377 HydrophobicContact CB-CG 4.4Å; A375-E377 PolarHBondContact O-N 2.81Å |
| 378 | E | 35.3 | Very low | 49.4 | Very low | 185 Ų | 185 | 91.3 Ų | 91.3 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 130.3 | 169.2 | -72.8 | -173.8 | 152 | 0 | 0 | 108.7 | A380 | E378-A380 PolarHBondContact O-N 3.07Š|
| 379 | P | 38.8 | Very low | 48.8 | Very low | 91 Ų | 91 | 89.4 Ų | 89.4 | 59% | 0.591 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.7 | -172.5 | 22.5 | -30.5 | 0 | 0 | 0 | 109.9 | V381 | P379-V381 PolarHBondContact O-N 3.44Š|
| 380 | A | 45.8 | Very low | 48.1 | Very low | 106 Ų | 106 | 89.2 Ų | 89.2 | 88% | 0.876 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -68 | 19.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | E378 | E378-A380 PolarHBondContact O-N 3.07Š|
| 381 | V | 53.2 | Low | 47.8 | Very low | 12 Ų | 12 | 91.5 Ų | 91.5 | 7% | 0.073 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -112.7 | 138.5 | -174.2 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | S247 N251 F283 P379 | S247-V381 WeakPolarHBondContact OG-CG2 3.34Å; N251-V381 HydrophobicContact CB-CG1 4.45Å; N251-V381 HydrophobicContact CB-CG2 3.79Å; N251-V381 VanDerWaalsContact ND2-CG2 3.35Å; N251-V381 WeakPolarHBondContact ND2-CG2 3.4Å; N251-V381 WeakPolarHBondContact OD1-CG2 3.46Å; F283-V381 HydrophobicContact CD1-CG1 3.8Å; F283-V381 HydrophobicContact CE1-CG1 3.2Å; F283-V381 HydrophobicContact CZ-CG1 3.82Å; P379-V381 PolarHBondContact O-N 3.44Å |
| 382 | P | 57.8 | Low | 48 | Very low | 53 Ų | 53 | 86.5 Ų | 86.5 | 34% | 0.344 | 52% | 0.516 | S | S | . | . | trans | -55.9 | 131.6 | 175.7 | 20.6 | -29 | 0 | 0 | 0 | 109.6 | S281 F283 | S281-P382 WeakPolarHBondContact O-CD 3.36Å; S281-P382 WeakPolarHBondContact O-CG 3.4Å; F283-P382 HydrophobicContact CE2-CG 4.12Å; F283-P382 HydrophobicContact CZ-CG 3.98Å | ||
| 383 | P | 65.7 | Low | 48.1 | Very low | 113 Ų | 113 | 79.6 Ų | 79.6 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | trans | -61.2 | 157.2 | -179.4 | 26.4 | -34.4 | 0 | 0 | 0 | 110.1 | P385 | P383-P385 WeakPolarHBondContact O-CD 3.37Å; P383-P385 VanDerWaalsContact O-N 3.15Å | ||
| 384 | T | 72.7 | Confident | 48.5 | Very low | 43 Ų | 43 | 78.3 Ų | 78.3 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | trans | -44.9 | 122.6 | 168.4 | -73 | 0 | 0 | 0 | 0 | 109.6 | M243 K244 A245 T386 | M243-T384 WeakPolarHBondContact O-CG2 3.23Å; K244-T384 HydrophobicContact CD-CG2 3.58Å; K244-T384 HydrophobicContact CG-CG2 4.42Å; A245-T384 PolarHBondContact N-OG1 3.42Å; T384-T386 PolarHBondContact O-N 2.77Å | ||
| 385 | P | 71.8 | Confident | 49.1 | Very low | 22 Ų | 22 | 70.9 Ų | 70.9 | 14% | 0.143 | 42% | 0.421 | C | S | . | . | trans | -56.4 | 135 | 175.8 | -24.6 | 33.3 | 0 | 0 | 0 | 110.9 | L240 M243 P383 N387 S388 | L240-P385 HydrophobicContact CD2-CG 3.9Å; M243-P385 HydrophobicContact CB-CG 4.2Å; M243-P385 VanDerWaalsContact CE-CD 3.43Å; M243-P385 HydrophobicContact CE-CG 4.28Å; P383-P385 WeakPolarHBondContact O-CD 3.37Å; P383-P385 VanDerWaalsContact O-N 3.15Å; P385-N387 WeakPolarHBondContact CB-OD1 3.32Å; P385-N387 PolarHBondContact O-N 3.34Å; P385-S388 WeakPolarHBondContact O-CB 3.45Å; P385-S388 PolarHBondContact O-N 3.3Å; P385-S388 VanDerWaalsContact O-N 3.1Å | ||
| 386 | T | 65.9 | Low | 49.7 | Very low | 69 Ų | 69 | 70.2 Ų | 70.2 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.8 | -176.2 | 56.7 | 0 | 0 | 0 | 0 | 113 | E30 A31 T384 S388 | E30-T386 HydrophobicContact CB-CG2 3.95Å; E30-T386 HydrophobicContact CG-CG2 3.58Å; E30-T386 WeakPolarHBondContact O-CB 3.33Å; E30-T386 PolarHBondContact O-OG1 2.77Å; A31-T386 VanDerWaalsContact CA-O 3.26Å; A31-T386 WeakPolarHBondContact CA-O 3.46Å; A31-T386 WeakPolarHBondContact CB-O 3.28Å; T384-T386 PolarHBondContact O-N 2.77Å; T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.11Å |
| 387 | N | 62.7 | Low | 50.3 | Low | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.8 | 173 | 55.5 | -61.8 | 0 | 0 | 0 | 115 | L240 K241 P385 L389 | L240-N387 PolarHBondContact O-ND2 3.35Å; K241-N387 VanDerWaalsContact C-ND2 3.25Å; K241-N387 VanDerWaalsContact CA-ND2 3.31Å; K241-N387 WeakPolarHBondContact CA-ND2 3.24Å; K241-N387 PolarHBondContact O-ND2 2.87Å; P385-N387 WeakPolarHBondContact CB-OD1 3.32Å; P385-N387 PolarHBondContact O-N 3.34Å; N387-L389 PolarHBondContact O-N 2.98Å; N387-L389 VanDerWaalsContact O-N 3.09Å |
| 388 | S | 55.3 | Low | 50.9 | Low | 11 Ų | 11 | 55.8 Ų | 55.8 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -48.9 | 124.1 | 171.5 | 170.1 | 0 | 0 | 0 | 0 | 108.4 | D242 K244 R352 P385 T386 V390 | D242-S388 WeakPolarHBondContact OD1-CA 3.38Å; D242-S388 PolarHBondContact OD1-OG 3.43Å; K244-S388 WeakPolarHBondContact CE-OG 3.31Å; R352-S388 PolarHBondContact NH2-OG 3.04Å; P385-S388 WeakPolarHBondContact O-CB 3.45Å; P385-S388 PolarHBondContact O-N 3.3Å; P385-S388 VanDerWaalsContact O-N 3.1Å; T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.11Å; S388-V390 PolarHBondContact O-N 3.39Å; S388-V390 VanDerWaalsContact O-N 3.08Å |
| 389 | L | 54 | Low | 51.5 | Low | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 123.6 | -174.8 | -67.8 | -165.9 | 0 | 0 | 0 | 109.2 | K227 D242 Y258 N387 D391 | K227-L389 HydrophobicContact CD-CD2 4.36Å; K227-L389 HydrophobicContact CG-CD2 4.28Å; D242-L389 HydrophobicContact CB-CG 4.39Å; D242-L389 PolarHBondContact OD1-N 3.02Å; Y258-L389 WeakPolarHBondContact OH-CD1 3.31Å; N387-L389 PolarHBondContact O-N 2.98Å; N387-L389 VanDerWaalsContact O-N 3.09Å; L389-D391 PolarHBondContact O-N 3.25Å |
| 390 | V | 40.5 | Very low | 51.9 | Low | 89 Ų | 89 | 46.6 Ų | 46.6 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 134 | -177.3 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | S388 G392 C393 | S388-V390 PolarHBondContact O-N 3.39Å; S388-V390 VanDerWaalsContact O-N 3.08Å; V390-G392 PolarHBondContact O-N 2.93Å; V390-C393 PolarHBondContact O-N 3.02Å |
| 391 | D | 40.8 | Very low | 52 | Low | 94 Ų | 94 | 49.1 Ų | 49.1 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -49.7 | 125.4 | 176.7 | -84.2 | -73.9 | 0 | 0 | 0 | 111.6 | K353 L389 | K353-D391 WeakPolarHBondContact CD-OD1 3.17Å; K353-D391 WeakPolarHBondContact CE-OD1 3.49Å; K353-D391 IonicContact NZ-OD1 3.81Å; K353-D391 PolarHBondContact NZ-OD1 3.02Å; L389-D391 PolarHBondContact O-N 3.25Å |
| 392 | G | 39.9 | Very low | 51.6 | Low | 34 Ų | 34 | 53 Ų | 53 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | trans | 101.7 | 25.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V390 | V390-G392 PolarHBondContact O-N 2.93Š| ||
| 393 | C | 42.7 | Very low | 50.9 | Low | 23 Ų | 23 | 53.3 Ų | 53.3 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | trans | -56.9 | 130.9 | 161.9 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | V390 L395 D396 | V390-C393 PolarHBondContact O-N 3.02Å; C393-L395 PolarHBondContact O-N 3.02Å; C393-L395 VanDerWaalsContact SG-CG 3.57Å; C393-D396 PolarHBondContact O-N 3.39Å | ||
| 394 | P | 41.4 | Very low | 49.7 | Very low | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -49.8 | -28.5 | 178.3 | -26.1 | 32.6 | 0 | 0 | 0 | 112.9 | V186 D396 G397 G398 P400 | V186-P394 HydrophobicContact CG1-CG 4.13Å; V186-P394 HydrophobicContact CG2-CG 4.21Å; P394-D396 VanDerWaalsContact C-N 3.26Å; P394-D396 PolarHBondContact O-N 3.44Å; P394-G397 PolarHBondContact O-N 3.05Å; P394-G398 CarbonylContact C-O 2.99Å; P394-P400 HydrophobicContact CB-CG 4.34Å |
| 395 | L | 47.7 | Very low | 48 | Very low | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -67.7 | -12.2 | -179 | -53.8 | 175.1 | 0 | 0 | 0 | 115.4 | L228 F293 C393 G397 G398 L399 | L228-L395 HydrophobicContact CD1-CD1 3.73Å; L228-L395 HydrophobicContact CD2-CD1 3.39Å; L228-L395 HydrophobicContact CG-CD1 4.05Å; F293-L395 HydrophobicContact CE1-CD2 3.88Å; F293-L395 HydrophobicContact CZ-CB 4.25Å; F293-L395 HydrophobicContact CZ-CD1 4.02Å; F293-L395 HydrophobicContact CZ-CD2 3.81Å; F293-L395 HydrophobicContact CZ-CG 4.24Å; C393-L395 PolarHBondContact O-N 3.02Å; C393-L395 VanDerWaalsContact SG-CG 3.57Å; L395-G397 PolarHBondContact O-N 3.38Å; L395-G398 PolarHBondContact O-N 3.41Å; L395-L399 HydrophobicContact CD2-CD2 3.5Å; L395-L399 HydrophobicContact CD2-CG 3.64Å |
| 396 | D | 43.4 | Very low | 46.8 | Very low | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -59.5 | -25.4 | 171.3 | -84.9 | -33.9 | 0 | 0 | 0 | 111.4 | S351 C393 P394 | S351-D396 WeakPolarHBondContact CB-OD1 3.27Å; S351-D396 PolarHBondContact OG-OD1 2.81Å; S351-D396 VanDerWaalsContact OG-OD1 3.04Å; C393-D396 PolarHBondContact O-N 3.39Å; P394-D396 VanDerWaalsContact C-N 3.26Å; P394-D396 PolarHBondContact O-N 3.44Å |
| 397 | G | 46.9 | Very low | 45.6 | Very low | 62 Ų | 62 | 64 Ų | 64 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -114.5 | 6.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P394 L395 | P394-G397 PolarHBondContact O-N 3.05Å; L395-G397 PolarHBondContact O-N 3.38Å |
| 398 | G | 47.4 | Very low | 44.2 | Very low | 10 Ų | 10 | 71.3 Ų | 71.3 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | trans | 92.2 | 169.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P394 L395 | P394-G398 CarbonylContact C-O 2.99Å; L395-G398 PolarHBondContact O-N 3.41Å | ||
| 399 | L | 46.8 | Very low | 43.3 | Very low | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -63.9 | 142.5 | 177.8 | -77.1 | 167.7 | 0 | 0 | 0 | 110.5 | Q224 E297 L395 R401 | Q224-L399 VanDerWaalsContact NE2-CD2 3.34Å; E297-L399 HydrophobicContact CB-CB 3.96Å; E297-L399 HydrophobicContact CB-CD1 3.9Å; E297-L399 HydrophobicContact CB-CG 4.33Å; E297-L399 HydrophobicContact CG-CB 4.5Å; E297-L399 HydrophobicContact CG-CD1 3.78Å; E297-L399 WeakPolarHBondContact OE1-CD1 3.43Å; E297-L399 WeakPolarHBondContact OE2-CB 3.42Å; E297-L399 WeakPolarHBondContact OE2-CD1 3.29Å; L395-L399 HydrophobicContact CD2-CD2 3.5Å; L395-L399 HydrophobicContact CD2-CG 3.64Å; L399-R401 PolarHBondContact O-N 2.92Å |
| 400 | P | 46.6 | Very low | 42.8 | Very low | 48 Ų | 48 | 79.7 Ų | 79.7 | 31% | 0.312 | 43% | 0.426 | S | S | . | . | trans | -61.1 | 115.2 | 178.4 | 10.5 | -12.7 | 0 | 0 | 0 | 109.9 | V186 F220 P394 I402 | V186-P400 HydrophobicContact CG1-CG 3.8Å; F220-P400 HydrophobicContact CE1-CG 4.47Å; P394-P400 HydrophobicContact CB-CG 4.34Å; P400-I402 PolarHBondContact O-N 3.32Å | ||
| 401 | R | 47.8 | Very low | 42.8 | Very low | 158 Ų | 158 | 83 Ų | 83 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | trans | -70.5 | 97.3 | 175.4 | -70.3 | -174.2 | 175.4 | 174.3 | 2.4 | 109.1 | E298 L399 T403 | E298-R401 IonicContact OE1-CZ 3.89Å; E298-R401 IonicContact OE1-NH2 3.51Å; E298-R401 PolarHBondContact OE1-NH2 2.94Å; L399-R401 PolarHBondContact O-N 2.92Å; R401-T403 PolarHBondContact O-N 2.92Å | ||
| 402 | I | 46.4 | Very low | 42.6 | Very low | 93 Ų | 93 | 85.1 Ų | 85.1 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | trans | -75.3 | 107.2 | 166.5 | -56.5 | 174.8 | 0 | 0 | 0 | 106.7 | P400 L407 | P400-I402 PolarHBondContact O-N 3.32Å; I402-L407 HydrophobicContact CG2-CD1 4.36Å; I402-L407 HydrophobicContact CG2-CG 4.28Å | ||
| 403 | T | 41.8 | Very low | 42.6 | Very low | 60 Ų | 60 | 90.3 Ų | 90.3 | 37% | 0.368 | 46% | 0.464 | S | S | . | . | trans | -80.9 | 148.7 | 179.4 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | R401 E405 E406 L407 | R401-T403 PolarHBondContact O-N 2.92Å; T403-E405 PolarHBondContact O-N 3.23Å; T403-E405 VanDerWaalsContact O-N 3.15Å; T403-E406 PolarHBondContact N-OE2 3.2Å; T403-E406 PolarHBondContact O-N 3.23Å; T403-E406 VanDerWaalsContact O-N 3.1Å; T403-E406 VanDerWaalsContact OG1-CD 3.29Å; T403-E406 VanDerWaalsContact OG1-CG 3.29Å; T403-E406 WeakPolarHBondContact OG1-CG 3.41Å; T403-E406 PolarHBondContact OG1-N 2.9Å; T403-E406 PolarHBondContact OG1-OE2 3.49Å; T403-L407 PolarHBondContact O-N 2.72Å | ||
| 404 | I | 41.6 | Very low | 42.2 | Very low | 119 Ų | 119 | 98.9 Ų | 98.9 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -26.1 | 175.4 | -67.8 | 174.4 | 0 | 0 | 0 | 111.2 | L407 R408 | I404-L407 PolarHBondContact O-N 2.97Å; I404-R408 WeakPolarHBondContact O-CG 3.45Å; I404-R408 PolarHBondContact O-N 3.21Å; I404-R408 VanDerWaalsContact O-N 3.13Å |
| 405 | E | 37.2 | Very low | 42.2 | Very low | 153 Ų | 153 | 101.7 Ų | 101.7 | 72% | 0.715 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -36.5 | 176.5 | -73 | 172.6 | 163.7 | 0 | 0 | 112.6 | T403 L407 R408 S409 | T403-E405 PolarHBondContact O-N 3.23Å; T403-E405 VanDerWaalsContact O-N 3.15Å; E405-L407 VanDerWaalsContact C-N 3.33Å; E405-L407 PolarHBondContact O-N 3.1Å; E405-R408 PolarHBondContact O-N 3.15Å; E405-S409 PolarHBondContact O-N 3.39Å |
| 406 | E | 45.4 | Very low | 41.9 | Very low | 92 Ų | 92 | 106.5 Ų | 106.5 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.6 | -27.5 | 174.6 | -72 | 165.4 | 140.8 | 0 | 0 | 113 | T403 | T403-E406 PolarHBondContact N-OE2 3.2Å; T403-E406 PolarHBondContact O-N 3.23Å; T403-E406 VanDerWaalsContact O-N 3.1Å; T403-E406 VanDerWaalsContact OG1-CD 3.29Å; T403-E406 VanDerWaalsContact OG1-CG 3.29Å; T403-E406 WeakPolarHBondContact OG1-CG 3.41Å; T403-E406 PolarHBondContact OG1-N 2.9Å; T403-E406 PolarHBondContact OG1-OE2 3.49Å |
| 407 | L | 40.4 | Very low | 41.8 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 56% | 0.56 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.5 | -33.7 | 170.7 | -78 | 165.1 | 0 | 0 | 0 | 111.9 | I402 T403 I404 E405 | I402-L407 HydrophobicContact CG2-CD1 4.36Å; I402-L407 HydrophobicContact CG2-CG 4.28Å; T403-L407 PolarHBondContact O-N 2.72Å; I404-L407 PolarHBondContact O-N 2.97Å; E405-L407 VanDerWaalsContact C-N 3.33Å; E405-L407 PolarHBondContact O-N 3.1Å |
| 408 | R | 33.8 | Very low | 41.5 | Very low | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.5 | -39.4 | -179.9 | -76.5 | 178.2 | 175.7 | 177.7 | -0.7 | 112.9 | I404 E405 K410 F411 D412 | I404-R408 WeakPolarHBondContact O-CG 3.45Å; I404-R408 PolarHBondContact O-N 3.21Å; I404-R408 VanDerWaalsContact O-N 3.13Å; E405-R408 PolarHBondContact O-N 3.15Å; R408-K410 PolarHBondContact O-N 3.13Å; R408-F411 PolarHBondContact O-N 3.46Å; R408-D412 PolarHBondContact O-N 3.49Å |
| 409 | S | 36.3 | Very low | 41.2 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -13.1 | -178.8 | 81.3 | 0 | 0 | 0 | 0 | 114.3 | E405 N413 | E405-S409 PolarHBondContact O-N 3.39Å; S409-N413 PolarHBondContact O-ND2 3.48Å |
| 410 | K | 44.3 | Very low | 40.8 | Very low | 147 Ų | 147 | 124 Ų | 124 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -17.4 | 175 | -73.6 | -171.5 | 175.7 | -177.1 | 0 | 114.4 | R408 | R408-K410 PolarHBondContact O-N 3.13Š|
| 411 | F | 40.8 | Very low | 40.4 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 70% | 0.697 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -22.1 | 172.4 | -92.4 | -82.2 | 0 | 0 | 0 | 112.7 | R408 N413 | R408-F411 PolarHBondContact O-N 3.46Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 3.49Å |
| 412 | D | 35.9 | Very low | 39.8 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -1.7 | 177.7 | -66.9 | -26.5 | 0 | 0 | 0 | 113.6 | R408 | R408-D412 PolarHBondContact O-N 3.49Š|
| 413 | N | 39.4 | Very low | 39.2 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 22.2 | 179 | -75.1 | -46 | 0 | 0 | 0 | 113.7 | S409 F411 | S409-N413 PolarHBondContact O-ND2 3.48Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 3.49Å |
| 414 | L | 34 | Very low | 39 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 100% | 1.063 | 67% | 0.667 | S | S | * | * | trans | -100.2 | 0 | 169 | -91.6 | 165.2 | 0 | 0 | 0 | 111.5 |
Retrieved 414 of 414 residues in 708.8 ms
(Link to these results)