| 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 | 88.9 | Confident | 94.3 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | 0 | 123.1 | 0 | -172.7 | -83.7 | -79.4 | 0 | 0 | 108.8 | V45 V46 D47 L88 N93 | M1-V45 HydrophobicContact CG-CG1 3.43Å; M1-V45 VanDerWaalsContact CG-CG1 3.43Å; M1-V45 HydrophobicContact SD-CG1 3.59Å; M1-V45 VanDerWaalsContact SD-CG1 3.59Å; M1-V46 CarbonylContact C-O 3.55Å; M1-V46 WeakPolarHBondContact CA-O 3.07Å; M1-D47 PolarHBondContact N-O 3.11Å; M1-L88 HydrophobicContact CB-CD2 3.98Å; M1-L88 HydrophobicContact CG-CD2 3.81Å; M1-N93 HydrophobicContact CE-CB 3.4Å | |||
| 2 | L | 95 | Very high | 94.5 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 139.6 | -176.1 | -60.4 | 170.6 | 0 | 0 | 0 | 109.3 | V45 V46 W49 | L2-V45 CarbonylContact O-C 3.58Å; L2-V45 WeakPolarHBondContact O-CA 3.36Å; L2-V46 HydrophobicContact CB-CG2 4.06Å; L2-V46 PolarHBondContact N-O 2.79Å; L2-V46 PolarHBondContact O-N 2.96Å; L2-W49 HydrophobicContact CD1-CB 4.1Å |
| 3 | V | 96.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.6 | 169.1 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | N5 E43 V44 V45 | V3-N5 VanDerWaalsContact CG1-OD1 3.26Å; V3-N5 WeakPolarHBondContact CG1-OD1 3.38Å; V3-N5 PolarHBondContact O-N 3.02Å; V3-E43 HydrophobicContact CG1-CB 4.01Å; V3-E43 HydrophobicContact CG1-CG 4.13Å; V3-V44 CarbonylContact C-O 3.43Å; V3-V44 WeakPolarHBondContact CA-O 3.33Å; V3-V45 HydrophobicContact CG2-CG2 4.43Å |
| 4 | L | 95.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 102.1 | 178.9 | -60 | -176.2 | 0 | 0 | 0 | 110.4 | K9 L10 L13 V44 V46 W49 | L4-K9 HydrophobicContact CD2-CD 4.12Å; L4-L10 HydrophobicContact CB-CD2 3.98Å; L4-L10 WeakPolarHBondContact O-CD2 3.5Å; L4-L13 HydrophobicContact CD1-CD2 4.02Å; L4-V44 HydrophobicContact CB-CB 4.34Å; L4-V44 HydrophobicContact CD1-CG1 4.24Å; L4-V44 PolarHBondContact N-O 3Å; L4-V46 HydrophobicContact CD1-CG1 3.78Å; L4-V46 HydrophobicContact CD1-CG2 4.08Å; L4-V46 HydrophobicContact CD2-CG2 3.88Å; L4-V46 HydrophobicContact CG-CG1 4.28Å; L4-V46 HydrophobicContact CG-CG2 3.88Å; L4-W49 HydrophobicContact CD1-CD2 4.26Å; L4-W49 HydrophobicContact CD1-CE3 3.48Å; L4-W49 VanDerWaalsContact CD1-CE3 3.48Å; L4-W49 HydrophobicContact CD1-CH2 4.32Å; L4-W49 HydrophobicContact CD1-CZ3 3.51Å; L4-W49 HydrophobicContact CD2-CB 4.32Å; L4-W49 HydrophobicContact CD2-CD2 3.93Å; L4-W49 HydrophobicContact CD2-CE3 3.91Å; L4-W49 HydrophobicContact CD2-CG 4.11Å; L4-W49 HydrophobicContact CG-CE3 4.35Å |
| 5 | N | 88.7 | Confident | 94.9 | Very high | 121 Ų | 121 | 72.5 Ų | 72.5 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | trans | -105.1 | -9.3 | 179.5 | -64.2 | -15.8 | 0 | 0 | 0 | 113.6 | V3 | V3-N5 VanDerWaalsContact CG1-OD1 3.26Å; V3-N5 WeakPolarHBondContact CG1-OD1 3.38Å; V3-N5 PolarHBondContact O-N 3.02Å | ||
| 6 | C | 93 | Very high | 95.1 | Very high | 51 Ų | 51 | 71.2 Ų | 71.2 | 35% | 0.345 | 37% | 0.368 | S | S | . | . | trans | -84.3 | 125.1 | -177.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | M8 K9 L10 | C6-M8 VanDerWaalsContact C-N 3.31Å; C6-M8 PolarHBondContact O-N 3.27Å; C6-K9 HydrophobicContact CB-CB 4.13Å; C6-K9 HydrophobicContact CB-CD 4.03Å; C6-K9 HydrophobicContact CB-CG 3.89Å; C6-K9 WeakPolarHBondContact O-CB 3.29Å; C6-K9 PolarHBondContact O-N 3.43Å; C6-L10 PolarHBondContact O-N 2.85Å | ||
| 7 | S | 93.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 67 Ų | 67 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.2 | -42.6 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 113 | K9 L10 Q11 | S7-K9 PolarHBondContact O-N 3.39Å; S7-L10 PolarHBondContact O-N 2.93Å; S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 2.94Å |
| 8 | M | 95.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 67.7 Ų | 67.7 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 176.8 | -66 | -171.9 | -67.1 | 0 | 0 | 112.3 | C6 Q11 M12 | C6-M8 VanDerWaalsContact C-N 3.31Å; C6-M8 PolarHBondContact O-N 3.27Å; M8-Q11 PolarHBondContact O-N 3.12Å; M8-M12 VanDerWaalsContact O-CG 3.29Å; M8-M12 WeakPolarHBondContact O-CG 3.43Å; M8-M12 PolarHBondContact O-N 2.94Å |
| 9 | K | 97.3 | Very high | 95.3 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.2 | -65 | -173.7 | -179.7 | -179.3 | 0 | 111.1 | L4 C6 S7 M12 L13 W49 | L4-K9 HydrophobicContact CD2-CD 4.12Å; C6-K9 HydrophobicContact CB-CB 4.13Å; C6-K9 HydrophobicContact CB-CD 4.03Å; C6-K9 HydrophobicContact CB-CG 3.89Å; C6-K9 WeakPolarHBondContact O-CB 3.29Å; C6-K9 PolarHBondContact O-N 3.43Å; S7-K9 PolarHBondContact O-N 3.39Å; K9-M12 PolarHBondContact O-N 3.25Å; K9-L13 WeakPolarHBondContact O-CB 3.12Å; K9-L13 PolarHBondContact O-N 3.42Å; K9-W49 HydrophobicContact CB-CH2 4.19Å; K9-W49 HydrophobicContact CB-CZ2 3.64Å; K9-W49 HydrophobicContact CD-CD2 4.35Å; K9-W49 HydrophobicContact CD-CG 4.34Å; K9-W49 HydrophobicContact CG-CZ2 3.9Å; K9-W49 WeakPolarHBondContact O-CH2 3.46Å |
| 10 | L | 97.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.9 | -67 | 172.9 | 0 | 0 | 0 | 112.1 | L4 C6 S7 L13 E14 L31 I34 N35 V44 | L4-L10 HydrophobicContact CB-CD2 3.98Å; L4-L10 WeakPolarHBondContact O-CD2 3.5Å; C6-L10 PolarHBondContact O-N 2.85Å; S7-L10 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 2.9Å; L10-E14 PolarHBondContact O-N 3.35Å; L10-L31 HydrophobicContact CB-CD1 4.11Å; L10-L31 HydrophobicContact CD2-CD1 3.71Å; L10-L31 HydrophobicContact CG-CD1 4.45Å; L10-I34 HydrophobicContact CD1-CG2 4.26Å; L10-N35 VanDerWaalsContact CB-OD1 3.25Å; L10-N35 WeakPolarHBondContact CB-OD1 3.38Å; L10-V44 HydrophobicContact CD2-CB 3.98Å; L10-V44 HydrophobicContact CD2-CG2 3.63Å |
| 11 | Q | 96.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 174.5 | -71.5 | 175.5 | -4.5 | 0 | 0 | 112.6 | S7 M8 L13 E14 K15 | S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 2.94Å; M8-Q11 PolarHBondContact O-N 3.12Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-E14 PolarHBondContact O-N 3.38Å; Q11-K15 WeakPolarHBondContact O-CG 2.96Å; Q11-K15 PolarHBondContact O-N 2.8Å; Q11-K15 VanDerWaalsContact O-N 3.12Å |
| 12 | M | 96.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 51% | 0.507 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.9 | -74 | 176.9 | 78.3 | 0 | 0 | 111.6 | M8 K9 K15 T16 W49 | M8-M12 VanDerWaalsContact O-CG 3.29Å; M8-M12 WeakPolarHBondContact O-CG 3.43Å; M8-M12 PolarHBondContact O-N 2.94Å; K9-M12 PolarHBondContact O-N 3.25Å; M12-K15 PolarHBondContact O-N 3.41Å; M12-T16 WeakPolarHBondContact O-CB 3.45Å; M12-T16 PolarHBondContact O-N 2.98Å; M12-T16 PolarHBondContact O-OG1 2.95Å; M12-W49 HydrophobicContact CB-CH2 4.06Å; M12-W49 HydrophobicContact CB-CZ2 4.04Å; M12-W49 HydrophobicContact SD-CZ2 4.31Å |
| 13 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.7 | 178.5 | 62.5 | 0 | 0 | 0 | 111 | L4 K9 L10 Q11 K15 T16 L17 L31 V44 W49 F52 V55 | L4-L13 HydrophobicContact CD1-CD2 4.02Å; K9-L13 WeakPolarHBondContact O-CB 3.12Å; K9-L13 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 2.9Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.21Å; L13-T16 PolarHBondContact O-N 3.17Å; L13-T16 VanDerWaalsContact O-N 3.07Å; L13-L17 HydrophobicContact CD1-CD1 4.17Å; L13-L17 HydrophobicContact CD1-CD2 4.23Å; L13-L17 HydrophobicContact CD1-CG 3.97Å; L13-L17 HydrophobicContact CG-CD1 3.93Å; L13-L17 HydrophobicContact CG-CG 4.21Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.91Å; L13-L31 HydrophobicContact CB-CD2 3.96Å; L13-L31 HydrophobicContact CD2-CD2 3.82Å; L13-L31 HydrophobicContact CG-CD2 3.68Å; L13-V44 HydrophobicContact CD2-CG1 3.59Å; L13-W49 HydrophobicContact CB-CH2 3.95Å; L13-W49 HydrophobicContact CB-CZ3 3.98Å; L13-W49 HydrophobicContact CD1-CZ3 4.36Å; L13-F52 HydrophobicContact CD1-CD1 3.89Å; L13-F52 HydrophobicContact CD1-CE1 3.33Å; L13-F52 HydrophobicContact CD1-CE2 4.38Å; L13-F52 HydrophobicContact CD1-CZ 3.62Å; L13-V55 HydrophobicContact CD2-CG2 4.09Å |
| 14 | E | 96.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55 | -47.7 | 177 | -173.3 | 175.9 | 149.6 | 0 | 0 | 111.1 | L10 Q11 T16 L17 Y28 L31 N35 | L10-E14 PolarHBondContact O-N 3.35Å; Q11-E14 PolarHBondContact O-N 3.38Å; E14-T16 VanDerWaalsContact C-N 3.35Å; E14-T16 PolarHBondContact O-N 3.09Å; E14-L17 PolarHBondContact O-N 3.26Å; E14-Y28 HydrophobicContact CG-CD2 4Å; E14-Y28 HydrophobicContact CG-CE2 3.48Å; E14-Y28 VanDerWaalsContact CG-CE2 3.48Å; E14-L31 HydrophobicContact CB-CD2 3.76Å; E14-L31 HydrophobicContact CB-CG 4.2Å; E14-N35 PolarHBondContact OE2-ND2 3.02Å |
| 15 | K | 95.9 | Very high | 96 | Very high | 152 Ų | 152 | 64.4 Ų | 64.4 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 175.5 | -68.8 | 178 | -178.2 | -178.6 | 0 | 113 | Q11 M12 L13 | Q11-K15 WeakPolarHBondContact O-CG 2.96Å; Q11-K15 PolarHBondContact O-N 2.8Å; Q11-K15 VanDerWaalsContact O-N 3.12Å; M12-K15 PolarHBondContact O-N 3.41Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.21Å |
| 16 | T | 97.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | -178 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | M12 L13 E14 I18 L19 F52 | M12-T16 WeakPolarHBondContact O-CB 3.45Å; M12-T16 PolarHBondContact O-N 2.98Å; M12-T16 PolarHBondContact O-OG1 2.95Å; L13-T16 PolarHBondContact O-N 3.17Å; L13-T16 VanDerWaalsContact O-N 3.07Å; E14-T16 VanDerWaalsContact C-N 3.35Å; E14-T16 PolarHBondContact O-N 3.09Å; T16-I18 VanDerWaalsContact C-N 3.28Å; T16-I18 PolarHBondContact O-N 3.4Å; T16-L19 WeakPolarHBondContact O-CB 3.26Å; T16-L19 PolarHBondContact O-N 3.38Å; T16-F52 HydrophobicContact CG2-CE1 3.89Å; T16-F52 HydrophobicContact CG2-CZ 4.37Å |
| 17 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -32.3 | -179.5 | -70.2 | 168.9 | 0 | 0 | 0 | 112.2 | L13 E14 L19 S20 F21 S24 V27 Y28 L31 F52 V55 F78 | L13-L17 HydrophobicContact CD1-CD1 4.17Å; L13-L17 HydrophobicContact CD1-CD2 4.23Å; L13-L17 HydrophobicContact CD1-CG 3.97Å; L13-L17 HydrophobicContact CG-CD1 3.93Å; L13-L17 HydrophobicContact CG-CG 4.21Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.91Å; E14-L17 PolarHBondContact O-N 3.26Å; L17-L19 PolarHBondContact O-N 2.78Å; L17-S20 CarbonylContact O-C 3.46Å; L17-S20 PolarHBondContact O-N 2.83Å; L17-F21 WeakPolarHBondContact O-CD1 3.24Å; L17-S24 PolarHBondContact O-OG 2.82Å; L17-V27 HydrophobicContact CD1-CB 4.39Å; L17-V27 HydrophobicContact CD1-CG1 3.69Å; L17-V27 HydrophobicContact CD2-CG1 4.32Å; L17-Y28 HydrophobicContact CB-CD2 4.19Å; L17-L31 HydrophobicContact CD1-CD2 3.77Å; L17-F52 HydrophobicContact CD2-CZ 4.07Å; L17-V55 HydrophobicContact CD2-CG1 4.21Å; L17-F78 HydrophobicContact CD2-CD1 3.58Å; L17-F78 HydrophobicContact CD2-CE1 4.02Å; L17-F78 HydrophobicContact CD2-CG 4.32Å |
| 18 | I | 96 | Very high | 96.9 | Very high | 80 Ų | 80 | 54 Ų | 54 | 41% | 0.41 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56 | -35 | 176.8 | -64 | 169.8 | 0 | 0 | 0 | 111.5 | T16 S20 F21 Y28 | T16-I18 VanDerWaalsContact C-N 3.28Å; T16-I18 PolarHBondContact O-N 3.4Å; I18-S20 PolarHBondContact O-N 2.71Å; I18-S20 VanDerWaalsContact O-N 3.16Å; I18-F21 HydrophobicContact CG1-CZ 4.26Å; I18-F21 PolarHBondContact O-N 2.94Å; I18-Y28 HydrophobicContact CD1-CE2 3.89Å; I18-Y28 HydrophobicContact CG1-CD2 4.08Å; I18-Y28 HydrophobicContact CG1-CE2 3.49Å; I18-Y28 VanDerWaalsContact CG1-CE2 3.49Å |
| 19 | L | 96.4 | Very high | 97 | Very high | 148 Ų | 148 | 47.6 Ų | 47.6 | 78% | 0.775 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.3 | 179.1 | -56.2 | 176.1 | 0 | 0 | 0 | 113.5 | T16 L17 | T16-L19 WeakPolarHBondContact O-CB 3.26Å; T16-L19 PolarHBondContact O-N 3.38Å; L17-L19 PolarHBondContact O-N 2.78Å |
| 20 | S | 96.8 | Very high | 97 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 30.9 | -179.9 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L17 I18 E23 S24 | L17-S20 CarbonylContact O-C 3.46Å; L17-S20 PolarHBondContact O-N 2.83Å; I18-S20 PolarHBondContact O-N 2.71Å; I18-S20 VanDerWaalsContact O-N 3.16Å; S20-E23 PolarHBondContact O-N 3.25Å; S20-E23 VanDerWaalsContact O-N 3.13Å; S20-S24 PolarHBondContact O-N 2.8Å; S20-S24 PolarHBondContact O-OG 3.37Å |
| 21 | F | 95.6 | Very high | 97 | Very high | 75 Ų | 75 | 43 Ų | 43 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 142.5 | 168.5 | -80.1 | 12.9 | 0 | 0 | 0 | 110.3 | L17 I18 S24 L25 Y28 | L17-F21 WeakPolarHBondContact O-CD1 3.24Å; I18-F21 HydrophobicContact CG1-CZ 4.26Å; I18-F21 PolarHBondContact O-N 2.94Å; F21-S24 WeakPolarHBondContact CD1-OG 3.25Å; F21-S24 WeakPolarHBondContact CE1-OG 3.45Å; F21-L25 HydrophobicContact CD2-CD1 4.49Å; F21-L25 HydrophobicContact CE1-CD1 4.25Å; F21-L25 HydrophobicContact CE2-CD1 3.96Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; F21-Y28 HydrophobicContact CE1-CD1 4.09Å; F21-Y28 HydrophobicContact CE1-CD2 4.15Å; F21-Y28 AromaticContact CE1-CG 3.77Å; F21-Y28 HydrophobicContact CE1-CG 3.77Å; F21-Y28 AromaticContact CZ-CD1 3.5Å; F21-Y28 HydrophobicContact CZ-CD1 3.5Å; F21-Y28 VanDerWaalsContact CZ-CD1 3.5Å; F21-Y28 HydrophobicContact CZ-CD2 4.03Å; F21-Y28 AromaticContact CZ-CE1 3.78Å; F21-Y28 HydrophobicContact CZ-CE1 3.78Å; F21-Y28 HydrophobicContact CZ-CE2 4.3Å; F21-Y28 AromaticContact CZ-CG 3.62Å; F21-Y28 HydrophobicContact CZ-CG 3.62Å |
| 22 | P | 96.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.7 | -12.9 | 6.8 | 34.5 | -37.1 | 0 | 0 | 0 | 115.7 | S24 L25 L106 L268 C270 | P22-S24 VanDerWaalsContact C-N 3.27Å; P22-S24 PolarHBondContact O-N 2.9Å; P22-S24 VanDerWaalsContact O-N 3.14Å; P22-L25 WeakPolarHBondContact O-CB 3.38Å; P22-L25 PolarHBondContact O-N 3.45Å; P22-L106 WeakPolarHBondContact O-CD2 3.47Å; P22-L268 HydrophobicContact CB-CD1 3.61Å; P22-L268 HydrophobicContact CB-CD2 4.37Å; P22-L268 HydrophobicContact CB-CG 4.38Å; P22-C270 HydrophobicContact CG-CB 4.31Å; P22-C270 VanDerWaalsContact CG-SG 3.58Å |
| 23 | E | 97.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 34 Ų | 34 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.8 | -167.2 | -66.7 | 80.4 | -177.8 | 0 | 0 | 113.9 | S20 L25 F78 Q107 | S20-E23 PolarHBondContact O-N 3.25Å; S20-E23 VanDerWaalsContact O-N 3.13Å; E23-L25 VanDerWaalsContact C-N 3.35Å; E23-F78 HydrophobicContact CB-CD2 4.12Å; E23-F78 HydrophobicContact CB-CE2 3.96Å; E23-Q107 HydrophobicContact CB-CG 3.85Å; E23-Q107 HydrophobicContact CG-CG 4Å |
| 24 | S | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.9 | -178.5 | 83.6 | 0 | 0 | 0 | 0 | 114.1 | L17 S20 F21 P22 K26 V27 Y28 | L17-S24 PolarHBondContact O-OG 2.82Å; S20-S24 PolarHBondContact O-N 2.8Å; S20-S24 PolarHBondContact O-OG 3.37Å; F21-S24 WeakPolarHBondContact CD1-OG 3.25Å; F21-S24 WeakPolarHBondContact CE1-OG 3.45Å; P22-S24 VanDerWaalsContact C-N 3.27Å; P22-S24 PolarHBondContact O-N 2.9Å; P22-S24 VanDerWaalsContact O-N 3.14Å; S24-K26 PolarHBondContact O-N 3.44Å; S24-V27 PolarHBondContact O-N 2.9Å; S24-Y28 WeakPolarHBondContact O-CB 3.24Å; S24-Y28 PolarHBondContact O-N 2.74Å |
| 25 | L | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.5 | -35.2 | -167.4 | -175.8 | 61.4 | 0 | 0 | 0 | 113.3 | F21 P22 E23 G29 L106 M132 I134 P244 Q246 L268 | F21-L25 HydrophobicContact CD2-CD1 4.49Å; F21-L25 HydrophobicContact CE1-CD1 4.25Å; F21-L25 HydrophobicContact CE2-CD1 3.96Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; P22-L25 WeakPolarHBondContact O-CB 3.38Å; P22-L25 PolarHBondContact O-N 3.45Å; E23-L25 VanDerWaalsContact C-N 3.35Å; L25-G29 PolarHBondContact O-N 3.19Å; L25-L106 HydrophobicContact CB-CD2 4.02Å; L25-M132 HydrophobicContact CD2-CE 3.56Å; L25-M132 HydrophobicContact CG-CE 4.42Å; L25-I134 HydrophobicContact CD1-CD1 4.41Å; L25-I134 HydrophobicContact CD2-CD1 4.17Å; L25-P244 HydrophobicContact CD1-CB 4.19Å; L25-P244 HydrophobicContact CD1-CG 3.83Å; L25-Q246 HydrophobicContact CD1-CG 4.39Å; L25-Q246 HydrophobicContact CD2-CB 3.92Å; L25-Q246 HydrophobicContact CD2-CG 4.17Å; L25-Q246 HydrophobicContact CG-CB 4.5Å; L25-Q246 HydrophobicContact CG-CG 4.2Å; L25-L268 HydrophobicContact CD2-CD1 4.2Å |
| 26 | K | 97.3 | Very high | 97 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.6 | -41.7 | 179.2 | -164.7 | 66.7 | 178 | 179.9 | 0 | 113.2 | S24 A30 A76 Q104 L106 D207 F209 T211 F272 | S24-K26 PolarHBondContact O-N 3.44Å; K26-A30 PolarHBondContact O-N 3.21Å; K26-A76 HydrophobicContact CB-CB 4.4Å; K26-A76 HydrophobicContact CG-CB 3.78Å; K26-Q104 HydrophobicContact CG-CB 4.23Å; K26-L106 HydrophobicContact CB-CD1 3.69Å; K26-D207 IonicContact NZ-OD2 3.17Å; K26-D207 PolarHBondContact NZ-OD2 2.9Å; K26-F209 HydrophobicContact CD-CB 3.8Å; K26-F209 HydrophobicContact CD-CG 4.18Å; K26-F209 HydrophobicContact CG-CB 4.48Å; K26-T211 PolarHBondContact NZ-OG1 3.49Å; K26-F272 HydrophobicContact CD-CE2 4.17Å |
| 27 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | L17 S24 G29 A30 L31 V55 T57 A76 F78 | L17-V27 HydrophobicContact CD1-CB 4.39Å; L17-V27 HydrophobicContact CD1-CG1 3.69Å; L17-V27 HydrophobicContact CD2-CG1 4.32Å; S24-V27 PolarHBondContact O-N 2.9Å; V27-G29 PolarHBondContact O-N 3.07Å; V27-A30 PolarHBondContact O-N 2.85Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 PolarHBondContact O-N 2.97Å; V27-V55 HydrophobicContact CG1-CG1 3.87Å; V27-V55 HydrophobicContact CG1-CG2 4.06Å; V27-V55 HydrophobicContact CG2-CG1 4.39Å; V27-T57 HydrophobicContact CG1-CG2 3.96Å; V27-A76 HydrophobicContact CG2-CB 4.1Å; V27-F78 HydrophobicContact CB-CB 4.22Å; V27-F78 HydrophobicContact CG2-CB 3.67Å |
| 28 | Y | 98.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 36 Ų | 36 | 9% | 0.09 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.6 | -51 | 176.9 | 177.1 | -96.9 | 0 | 0 | 0 | 111.5 | E14 L17 I18 F21 S24 A30 L31 M32 P244 | E14-Y28 HydrophobicContact CG-CD2 4Å; E14-Y28 HydrophobicContact CG-CE2 3.48Å; E14-Y28 VanDerWaalsContact CG-CE2 3.48Å; L17-Y28 HydrophobicContact CB-CD2 4.19Å; I18-Y28 HydrophobicContact CD1-CE2 3.89Å; I18-Y28 HydrophobicContact CG1-CD2 4.08Å; I18-Y28 HydrophobicContact CG1-CE2 3.49Å; I18-Y28 VanDerWaalsContact CG1-CE2 3.49Å; F21-Y28 HydrophobicContact CE1-CD1 4.09Å; F21-Y28 HydrophobicContact CE1-CD2 4.15Å; F21-Y28 AromaticContact CE1-CG 3.77Å; F21-Y28 HydrophobicContact CE1-CG 3.77Å; F21-Y28 AromaticContact CZ-CD1 3.5Å; F21-Y28 HydrophobicContact CZ-CD1 3.5Å; F21-Y28 VanDerWaalsContact CZ-CD1 3.5Å; F21-Y28 HydrophobicContact CZ-CD2 4.03Å; F21-Y28 AromaticContact CZ-CE1 3.78Å; F21-Y28 HydrophobicContact CZ-CE1 3.78Å; F21-Y28 HydrophobicContact CZ-CE2 4.3Å; F21-Y28 AromaticContact CZ-CG 3.62Å; F21-Y28 HydrophobicContact CZ-CG 3.62Å; S24-Y28 WeakPolarHBondContact O-CB 3.24Å; S24-Y28 PolarHBondContact O-N 2.74Å; Y28-A30 VanDerWaalsContact C-N 3.35Å; Y28-A30 PolarHBondContact O-N 3.41Å; Y28-L31 WeakPolarHBondContact O-CB 3.2Å; Y28-L31 PolarHBondContact O-N 2.83Å; Y28-M32 HydrophobicContact CD1-CG 4.18Å; Y28-M32 HydrophobicContact CD1-SD 3.83Å; Y28-M32 HydrophobicContact CE1-CE 4.24Å; Y28-M32 HydrophobicContact CE1-CG 3.86Å; Y28-M32 HydrophobicContact CE1-SD 3.16Å; Y28-M32 WeakPolarHBondContact CE1-SD 3.4Å; Y28-M32 HydrophobicContact CE2-CG 4.38Å; Y28-M32 VanDerWaalsContact CZ-SD 3.59Å; Y28-M32 WeakPolarHBondContact O-CG 3.5Å; Y28-M32 PolarHBondContact O-N 2.82Å; Y28-P244 HydrophobicContact CD1-CG 4.2Å; Y28-P244 HydrophobicContact CE1-CG 3.99Å |
| 29 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L25 V27 N33 F209 | L25-G29 PolarHBondContact O-N 3.19Å; V27-G29 PolarHBondContact O-N 3.07Å; G29-N33 PolarHBondContact O-N 2.89Å; G29-F209 CarbonylContact C-O 3.57Å; G29-F209 WeakPolarHBondContact CA-O 3.36Å |
| 30 | A | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K26 V27 Y28 M32 N33 I34 T57 F209 | K26-A30 PolarHBondContact O-N 3.21Å; V27-A30 PolarHBondContact O-N 2.85Å; Y28-A30 VanDerWaalsContact C-N 3.35Å; Y28-A30 PolarHBondContact O-N 3.41Å; A30-M32 VanDerWaalsContact C-N 3.31Å; A30-M32 PolarHBondContact O-N 3.36Å; A30-N33 WeakPolarHBondContact O-CB 3.39Å; A30-N33 PolarHBondContact O-N 2.93Å; A30-N33 VanDerWaalsContact O-N 3.16Å; A30-I34 VanDerWaalsContact O-CG1 3.31Å; A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 3.21Å; A30-T57 HydrophobicContact CB-CG2 3.92Å; A30-F209 HydrophobicContact CB-CD1 3.58Å; A30-F209 HydrophobicContact CB-CE1 4.24Å |
| 31 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | -179.8 | -177.4 | 55.4 | 0 | 0 | 0 | 112 | L10 L13 E14 L17 V27 Y28 N33 I34 N35 V44 | L10-L31 HydrophobicContact CB-CD1 4.11Å; L10-L31 HydrophobicContact CD2-CD1 3.71Å; L10-L31 HydrophobicContact CG-CD1 4.45Å; L13-L31 HydrophobicContact CB-CD2 3.96Å; L13-L31 HydrophobicContact CD2-CD2 3.82Å; L13-L31 HydrophobicContact CG-CD2 3.68Å; E14-L31 HydrophobicContact CB-CD2 3.76Å; E14-L31 HydrophobicContact CB-CG 4.2Å; L17-L31 HydrophobicContact CD1-CD2 3.77Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 PolarHBondContact O-N 2.97Å; Y28-L31 WeakPolarHBondContact O-CB 3.2Å; Y28-L31 PolarHBondContact O-N 2.83Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 3Å; L31-I34 WeakPolarHBondContact O-CB 3.41Å; L31-I34 PolarHBondContact O-N 3.47Å; L31-N35 WeakPolarHBondContact O-CB 3.45Å; L31-N35 PolarHBondContact O-N 3.1Å; L31-V44 HydrophobicContact CD1-CG2 3.91Å |
| 32 | M | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 173.6 | -65.2 | -172.7 | 88.4 | 0 | 0 | 111.8 | Y28 A30 N35 R36 G242 F243 | Y28-M32 HydrophobicContact CD1-CG 4.18Å; Y28-M32 HydrophobicContact CD1-SD 3.83Å; Y28-M32 HydrophobicContact CE1-CE 4.24Å; Y28-M32 HydrophobicContact CE1-CG 3.86Å; Y28-M32 HydrophobicContact CE1-SD 3.16Å; Y28-M32 WeakPolarHBondContact CE1-SD 3.4Å; Y28-M32 HydrophobicContact CE2-CG 4.38Å; Y28-M32 VanDerWaalsContact CZ-SD 3.59Å; Y28-M32 WeakPolarHBondContact O-CG 3.5Å; Y28-M32 PolarHBondContact O-N 2.82Å; A30-M32 VanDerWaalsContact C-N 3.31Å; A30-M32 PolarHBondContact O-N 3.36Å; M32-N35 PolarHBondContact O-N 2.93Å; M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.13Å; M32-R36 VanDerWaalsContact O-CD 3.29Å; M32-R36 WeakPolarHBondContact O-CD 3.29Å; M32-R36 WeakPolarHBondContact O-CG 3.22Å; M32-R36 PolarHBondContact O-N 3.38Å; M32-R36 VanDerWaalsContact O-N 3.09Å; M32-G242 WeakPolarHBondContact CE-O 3.49Å; M32-F243 HydrophobicContact CB-CD1 3.81Å; M32-F243 HydrophobicContact CB-CE1 3.33Å; M32-F243 HydrophobicContact CB-CZ 4.14Å; M32-F243 HydrophobicContact CE-CD1 3.94Å; M32-F243 HydrophobicContact CE-CE1 4.4Å; M32-F243 HydrophobicContact CE-CG 4.15Å; M32-F243 HydrophobicContact CG-CD1 4.33Å; M32-F243 HydrophobicContact CG-CE1 4.31Å; M32-F243 HydrophobicContact SD-CB 4.47Å; M32-F243 HydrophobicContact SD-CD1 3.45Å; M32-F243 WeakPolarHBondContact SD-CD1 3.5Å; M32-F243 HydrophobicContact SD-CE1 4Å; M32-F243 HydrophobicContact SD-CG 4.12Å |
| 33 | N | 97.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 174.9 | -78.3 | -24.8 | 0 | 0 | 0 | 112.2 | G29 A30 L31 R36 N38 F188 D207 Q208 A210 F243 | G29-N33 PolarHBondContact O-N 2.89Å; A30-N33 WeakPolarHBondContact O-CB 3.39Å; A30-N33 PolarHBondContact O-N 2.93Å; A30-N33 VanDerWaalsContact O-N 3.16Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 3Å; N33-R36 CarbonylContact O-C 3.48Å; N33-R36 PolarHBondContact O-N 3.45Å; N33-N38 WeakPolarHBondContact O-CA 3.3Å; N33-N38 PolarHBondContact O-N 2.83Å; N33-F188 HydrophobicContact CB-CE1 4.28Å; N33-D207 PolarHBondContact ND2-O 3.28Å; N33-Q208 PolarHBondContact ND2-O 2.95Å; N33-Q208 VanDerWaalsContact ND2-O 3.13Å; N33-A210 PolarHBondContact ND2-N 3.36Å; N33-F243 WeakPolarHBondContact OD1-CE1 3.47Å; N33-F243 VanDerWaalsContact OD1-CZ 3.28Å; N33-F243 WeakPolarHBondContact OD1-CZ 3.24Å |
| 34 | I | 97.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 9% | 0.092 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.5 | -68.8 | 165.8 | 0 | 0 | 0 | 110.3 | L10 A30 L31 R36 N38 K42 V44 T57 | L10-I34 HydrophobicContact CD1-CG2 4.26Å; A30-I34 VanDerWaalsContact O-CG1 3.31Å; A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 3.21Å; L31-I34 WeakPolarHBondContact O-CB 3.41Å; L31-I34 PolarHBondContact O-N 3.47Å; I34-R36 PolarHBondContact O-N 2.79Å; I34-N38 WeakPolarHBondContact O-CB 3.41Å; I34-N38 PolarHBondContact O-N 3.38Å; I34-K42 HydrophobicContact CD1-CB 3.86Å; I34-K42 HydrophobicContact CG1-CB 3.93Å; I34-V44 HydrophobicContact CD1-CG2 3.79Å; I34-T57 HydrophobicContact CD1-CG2 4.44Å |
| 35 | N | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 27.1 Ų | 27.1 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68 | -16.6 | 179.3 | -75.2 | -23.2 | 0 | 0 | 0 | 113.2 | L10 E14 L31 M32 | L10-N35 VanDerWaalsContact CB-OD1 3.25Å; L10-N35 WeakPolarHBondContact CB-OD1 3.38Å; E14-N35 PolarHBondContact OE2-ND2 3.02Å; L31-N35 WeakPolarHBondContact O-CB 3.45Å; L31-N35 PolarHBondContact O-N 3.1Å; M32-N35 PolarHBondContact O-N 2.93Å |
| 36 | R | 94.6 | Very high | 96.7 | Very high | 110 Ų | 110 | 27 Ų | 27 | 42% | 0.415 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 52.5 | -176.7 | -64.2 | 167.9 | -174 | -174 | -8.5 | 111.5 | M32 N33 I34 R241 | M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.13Å; M32-R36 VanDerWaalsContact O-CD 3.29Å; M32-R36 WeakPolarHBondContact O-CD 3.29Å; M32-R36 WeakPolarHBondContact O-CG 3.22Å; M32-R36 PolarHBondContact O-N 3.38Å; M32-R36 VanDerWaalsContact O-N 3.09Å; N33-R36 CarbonylContact O-C 3.48Å; N33-R36 PolarHBondContact O-N 3.45Å; I34-R36 PolarHBondContact O-N 2.79Å; R36-R241 PolarHBondContact NH1-O 3.35Å |
| 37 | G | 94.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 28.2 Ų | 28.2 | 74% | 0.742 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93 | -8.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 38 | N | 96.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | trans | 49.2 | 53.4 | 173.1 | -164.4 | 15.9 | 0 | 0 | 0 | 114.7 | N33 I34 F40 R41 K42 | N33-N38 WeakPolarHBondContact O-CA 3.3Å; N33-N38 PolarHBondContact O-N 2.83Å; I34-N38 WeakPolarHBondContact O-CB 3.41Å; I34-N38 PolarHBondContact O-N 3.38Å; N38-F40 PolarHBondContact O-N 3.26Å; N38-F40 VanDerWaalsContact O-N 3.1Å; N38-R41 PolarHBondContact O-N 2.85Å; N38-R41 PolarHBondContact OD1-N 3.4Å; N38-K42 PolarHBondContact ND2-N 2.71Å; N38-K42 PolarHBondContact ND2-O 2.9Å; N38-K42 PolarHBondContact OD1-N 3.37Å; N38-K42 PolarHBondContact OD1-O 3.18Å | ||
| 39 | P | 95 | Very high | 96.6 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 34% | 0.338 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.8 | -172.1 | 23.7 | -34.3 | 0 | 0 | 0 | 113.5 | C187 F188 | P39-C187 HydrophobicContact CB-CB 3.69Å; P39-C187 HydrophobicContact CG-CB 4.08Å; P39-F188 HydrophobicContact CG-CD1 4.43Å; P39-F188 HydrophobicContact CG-CE1 3.51Å; P39-F188 HydrophobicContact CG-CZ 3.71Å |
| 40 | F | 93.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.5 | 178.6 | -94 | -110.8 | 0 | 0 | 0 | 114 | N38 K42 T72 Y180 N183 L184 C187 F188 Q208 | N38-F40 PolarHBondContact O-N 3.26Å; N38-F40 VanDerWaalsContact O-N 3.1Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 HydrophobicContact CB-CD 4.42Å; F40-K42 HydrophobicContact CB-CG 4.08Å; F40-K42 WeakPolarHBondContact O-CG 3.16Å; F40-K42 PolarHBondContact O-N 3.42Å; F40-T72 HydrophobicContact CD1-CG2 4.48Å; F40-Y180 HydrophobicContact CE1-CD2 4.09Å; F40-Y180 AromaticContact CE1-CE2 3.83Å; F40-Y180 HydrophobicContact CE1-CE2 3.83Å; F40-Y180 HydrophobicContact CZ-CD2 4.48Å; F40-Y180 HydrophobicContact CZ-CE2 4.31Å; F40-N183 HydrophobicContact CE2-CB 4.12Å; F40-N183 HydrophobicContact CZ-CB 3.67Å; F40-L184 HydrophobicContact CE1-CD2 4.18Å; F40-L184 HydrophobicContact CE2-CD2 3.89Å; F40-L184 HydrophobicContact CZ-CD2 3.47Å; F40-L184 VanDerWaalsContact CZ-CD2 3.47Å; F40-L184 HydrophobicContact CZ-CG 4.29Å; F40-C187 HydrophobicContact CD2-CB 4.43Å; F40-C187 HydrophobicContact CE2-CB 4.15Å; F40-F188 HydrophobicContact CD2-CD2 4.45Å; F40-F188 AromaticContact CD2-CE2 3.3Å; F40-F188 HydrophobicContact CD2-CE2 3.3Å; F40-F188 AromaticContact CD2-CZ 3.45Å; F40-F188 HydrophobicContact CD2-CZ 3.45Å; F40-F188 VanDerWaalsContact CD2-CZ 3.45Å; F40-F188 HydrophobicContact CE2-CD2 4.09Å; F40-F188 AromaticContact CE2-CE2 3.26Å; F40-F188 HydrophobicContact CE2-CE2 3.26Å; F40-F188 AromaticContact CE2-CZ 3.92Å; F40-F188 HydrophobicContact CE2-CZ 3.92Å; F40-F188 HydrophobicContact CG-CE2 4.19Å; F40-F188 HydrophobicContact CG-CZ 4.21Å; F40-F188 HydrophobicContact CZ-CE2 4.1Å; F40-Q208 HydrophobicContact CB-CB 4.21Å; F40-Q208 HydrophobicContact CD1-CB 3.87Å; F40-Q208 HydrophobicContact CD2-CB 4.45Å; F40-Q208 HydrophobicContact CE1-CB 4.37Å; F40-Q208 HydrophobicContact CG-CB 3.9Å |
| 41 | R | 94.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | trans | 49.2 | 51.9 | 174.3 | -58 | -173.4 | -175.3 | -176.4 | -1.5 | 112.5 | N38 Q60 N63 | N38-R41 PolarHBondContact O-N 2.85Å; N38-R41 PolarHBondContact OD1-N 3.4Å; R41-Q60 VanDerWaalsContact O-CB 3.3Å; R41-Q60 WeakPolarHBondContact O-CB 3.27Å; R41-Q60 WeakPolarHBondContact O-CG 3.29Å; R41-Q60 PolarHBondContact O-N 3.41Å; R41-N63 HydrophobicContact CB-CB 4.48Å; R41-N63 WeakPolarHBondContact CD-ND2 3.49Å; R41-N63 PolarHBondContact NH1-OD1 2.69Å | ||
| 42 | K | 95.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 159 | 178.5 | -56 | -162.1 | 77 | 167.6 | 0 | 110.8 | I34 N38 F40 R58 A74 F209 | I34-K42 HydrophobicContact CD1-CB 3.86Å; I34-K42 HydrophobicContact CG1-CB 3.93Å; N38-K42 PolarHBondContact ND2-N 2.71Å; N38-K42 PolarHBondContact ND2-O 2.9Å; N38-K42 PolarHBondContact OD1-N 3.37Å; N38-K42 PolarHBondContact OD1-O 3.18Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 HydrophobicContact CB-CD 4.42Å; F40-K42 HydrophobicContact CB-CG 4.08Å; F40-K42 WeakPolarHBondContact O-CG 3.16Å; F40-K42 PolarHBondContact O-N 3.42Å; K42-R58 CarbonylContact C-O 3.45Å; K42-R58 WeakPolarHBondContact CA-O 3.47Å; K42-R58 VanDerWaalsContact CB-O 3.28Å; K42-R58 WeakPolarHBondContact CB-O 3.49Å; K42-A74 WeakPolarHBondContact CE-O 3.31Å; K42-A74 PolarHBondContact NZ-O 3.16Å; K42-F209 VanDerWaalsContact NZ-CZ 3.26Å |
| 43 | E | 96.5 | Very high | 96.5 | Very high | 26 Ų | 26 | 45 Ų | 45 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 163.2 | 173.2 | 63.9 | -177.8 | -166.8 | 0 | 0 | 110.4 | V3 T57 R58 Q60 | V3-E43 HydrophobicContact CG1-CB 4.01Å; V3-E43 HydrophobicContact CG1-CG 4.13Å; E43-T57 WeakPolarHBondContact O-CA 3.28Å; E43-R58 HydrophobicContact CG-CG 3.77Å; E43-R58 PolarHBondContact N-O 2.91Å; E43-R58 PolarHBondContact O-N 2.78Å; E43-R58 IonicContact OE1-CZ 3.61Å; E43-R58 IonicContact OE1-NE 2.82Å; E43-R58 PolarHBondContact OE1-NE 3.3Å; E43-R58 IonicContact OE1-NH2 3.8Å; E43-R58 PolarHBondContact OE1-NH2 3.45Å; E43-Q60 HydrophobicContact CB-CG 4.07Å; E43-Q60 HydrophobicContact CG-CG 4.24Å |
| 44 | V | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.2 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | V3 L4 L10 L13 L31 I34 V46 V55 T57 | V3-V44 CarbonylContact C-O 3.43Å; V3-V44 WeakPolarHBondContact CA-O 3.33Å; L4-V44 HydrophobicContact CB-CB 4.34Å; L4-V44 HydrophobicContact CD1-CG1 4.24Å; L4-V44 PolarHBondContact N-O 3Å; L10-V44 HydrophobicContact CD2-CB 3.98Å; L10-V44 HydrophobicContact CD2-CG2 3.63Å; L13-V44 HydrophobicContact CD2-CG1 3.59Å; L31-V44 HydrophobicContact CD1-CG2 3.91Å; I34-V44 HydrophobicContact CD1-CG2 3.79Å; V44-V46 HydrophobicContact CG1-CG1 4.37Å; V44-V55 HydrophobicContact CG1-CG2 3.56Å; V44-T57 HydrophobicContact CG2-CG2 4.32Å |
| 45 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | 177 | -177 | 0 | 0 | 0 | 0 | 108.8 | M1 L2 V3 V55 I56 R58 T94 | M1-V45 HydrophobicContact CG-CG1 3.43Å; M1-V45 VanDerWaalsContact CG-CG1 3.43Å; M1-V45 HydrophobicContact SD-CG1 3.59Å; M1-V45 VanDerWaalsContact SD-CG1 3.59Å; L2-V45 CarbonylContact O-C 3.58Å; L2-V45 WeakPolarHBondContact O-CA 3.36Å; V3-V45 HydrophobicContact CG2-CG2 4.43Å; V45-V55 CarbonylContact O-C 3.57Å; V45-V55 WeakPolarHBondContact O-CA 3.45Å; V45-I56 PolarHBondContact N-O 3.43Å; V45-I56 PolarHBondContact O-N 2.83Å; V45-R58 HydrophobicContact CG2-CG 4.15Å; V45-T94 HydrophobicContact CG1-CG2 4.2Å |
| 46 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 157.1 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | M1 L2 L4 V44 S48 W49 F52 A54 V55 | M1-V46 CarbonylContact C-O 3.55Å; M1-V46 WeakPolarHBondContact CA-O 3.07Å; L2-V46 HydrophobicContact CB-CG2 4.06Å; L2-V46 PolarHBondContact N-O 2.79Å; L2-V46 PolarHBondContact O-N 2.96Å; L4-V46 HydrophobicContact CD1-CG1 3.78Å; L4-V46 HydrophobicContact CD1-CG2 4.08Å; L4-V46 HydrophobicContact CD2-CG2 3.88Å; L4-V46 HydrophobicContact CG-CG1 4.28Å; L4-V46 HydrophobicContact CG-CG2 3.88Å; V44-V46 HydrophobicContact CG1-CG1 4.37Å; V46-S48 VanDerWaalsContact CG2-O 3.24Å; V46-S48 WeakPolarHBondContact CG2-O 3.45Å; V46-W49 HydrophobicContact CG2-CB 4.48Å; V46-F52 HydrophobicContact CB-CB 4.06Å; V46-F52 HydrophobicContact CG1-CB 4.15Å; V46-F52 HydrophobicContact CG1-CG 4.45Å; V46-A54 WeakPolarHBondContact CA-O 3.32Å; V46-V55 HydrophobicContact CG1-CB 3.98Å; V46-V55 HydrophobicContact CG1-CG2 3.82Å |
| 47 | D | 97.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -65.9 | -46.4 | 171.6 | 65.7 | -66.3 | 0 | 0 | 0 | 111.2 | M1 F52 K53 A54 V84 L88 | M1-D47 PolarHBondContact N-O 3.11Å; D47-F52 WeakPolarHBondContact OD1-CA 3.44Å; D47-K53 PolarHBondContact OD1-N 3.18Å; D47-A54 PolarHBondContact N-O 2.63Å; D47-A54 PolarHBondContact OD1-N 3.32Å; D47-A54 VanDerWaalsContact OD1-O 3.11Å; D47-V84 HydrophobicContact CB-CG1 3.34Å; D47-L88 HydrophobicContact CB-CD1 4.33Å; D47-L88 HydrophobicContact CB-CD2 4.41Å; D47-L88 HydrophobicContact CB-CG 4.38Å |
| 48 | S | 97.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 33 Ų | 33 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -149.3 | 165 | -173.9 | 60.8 | 0 | 0 | 0 | 0 | 111 | V46 N51 F52 | V46-S48 VanDerWaalsContact CG2-O 3.24Å; V46-S48 WeakPolarHBondContact CG2-O 3.45Å; S48-N51 PolarHBondContact OG-O 2.88Å; S48-F52 WeakPolarHBondContact O-CA 3.5Å; S48-F52 VanDerWaalsContact O-CB 3.23Å; S48-F52 WeakPolarHBondContact O-CB 3.34Å |
| 49 | W | 97.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 32 Ų | 32 | 21% | 0.208 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -145.9 | 140.8 | 178.6 | -175.2 | -91.4 | 0 | 0 | 0 | 110.7 | L2 L4 K9 M12 L13 V46 | L2-W49 HydrophobicContact CD1-CB 4.1Å; L4-W49 HydrophobicContact CD1-CD2 4.26Å; L4-W49 HydrophobicContact CD1-CE3 3.48Å; L4-W49 VanDerWaalsContact CD1-CE3 3.48Å; L4-W49 HydrophobicContact CD1-CH2 4.32Å; L4-W49 HydrophobicContact CD1-CZ3 3.51Å; L4-W49 HydrophobicContact CD2-CB 4.32Å; L4-W49 HydrophobicContact CD2-CD2 3.93Å; L4-W49 HydrophobicContact CD2-CE3 3.91Å; L4-W49 HydrophobicContact CD2-CG 4.11Å; L4-W49 HydrophobicContact CG-CE3 4.35Å; K9-W49 HydrophobicContact CB-CH2 4.19Å; K9-W49 HydrophobicContact CB-CZ2 3.64Å; K9-W49 HydrophobicContact CD-CD2 4.35Å; K9-W49 HydrophobicContact CD-CG 4.34Å; K9-W49 HydrophobicContact CG-CZ2 3.9Å; K9-W49 WeakPolarHBondContact O-CH2 3.46Å; M12-W49 HydrophobicContact CB-CH2 4.06Å; M12-W49 HydrophobicContact CB-CZ2 4.04Å; M12-W49 HydrophobicContact SD-CZ2 4.31Å; L13-W49 HydrophobicContact CB-CH2 3.95Å; L13-W49 HydrophobicContact CB-CZ3 3.98Å; L13-W49 HydrophobicContact CD1-CZ3 4.36Å; V46-W49 HydrophobicContact CG2-CB 4.48Å |
| 50 | P | 94.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 32.2 Ų | 32.2 | 47% | 0.474 | 16% | 0.158 | S | C | . | . | S | Bend | cis | -79.7 | -18.3 | 0 | 32.2 | -35.3 | 0 | 0 | 0 | 114.7 | F52 | P50-F52 PolarHBondContact O-N 2.85Š|
| 51 | N | 95.9 | Very high | 96.3 | Very high | 131 Ų | 131 | 37.2 Ų | 37.2 | 70% | 0.701 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -85 | 57.9 | -173.4 | -62.9 | -31.8 | 0 | 0 | 0 | 112.5 | S48 | S48-N51 PolarHBondContact OG-O 2.88Š|
| 52 | F | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | trans | -62.7 | 147.3 | 179.8 | 79 | -85.8 | 0 | 0 | 0 | 112 | L13 T16 L17 V46 D47 S48 P50 V55 F78 K80 | L13-F52 HydrophobicContact CD1-CD1 3.89Å; L13-F52 HydrophobicContact CD1-CE1 3.33Å; L13-F52 HydrophobicContact CD1-CE2 4.38Å; L13-F52 HydrophobicContact CD1-CZ 3.62Å; T16-F52 HydrophobicContact CG2-CE1 3.89Å; T16-F52 HydrophobicContact CG2-CZ 4.37Å; L17-F52 HydrophobicContact CD2-CZ 4.07Å; V46-F52 HydrophobicContact CB-CB 4.06Å; V46-F52 HydrophobicContact CG1-CB 4.15Å; V46-F52 HydrophobicContact CG1-CG 4.45Å; D47-F52 WeakPolarHBondContact OD1-CA 3.44Å; S48-F52 WeakPolarHBondContact O-CA 3.5Å; S48-F52 VanDerWaalsContact O-CB 3.23Å; S48-F52 WeakPolarHBondContact O-CB 3.34Å; P50-F52 PolarHBondContact O-N 2.85Å; F52-V55 HydrophobicContact CD2-CB 4.12Å; F52-V55 HydrophobicContact CD2-CG1 4.28Å; F52-V55 HydrophobicContact CE2-CB 4.17Å; F52-V55 HydrophobicContact CE2-CG1 3.84Å; F52-F78 AromaticContact CE2-CD1 3.91Å; F52-F78 HydrophobicContact CE2-CD1 3.91Å; F52-F78 AromaticContact CE2-CE1 3.86Å; F52-F78 HydrophobicContact CE2-CE1 3.86Å; F52-F78 HydrophobicContact CZ-CD1 4.39Å; F52-F78 HydrophobicContact CZ-CE1 4.13Å; F52-K80 PolarHBondContact O-NZ 3.33Å | ||
| 53 | K | 98.3 | Very high | 94.7 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -113.1 | -20.5 | 175.5 | -62.5 | 172.2 | 168.8 | -148.9 | 0 | 112.3 | D47 Y79 K80 E81 V84 | D47-K53 PolarHBondContact OD1-N 3.18Å; K53-Y79 CarbonylContact O-C 3.58Å; K53-Y79 WeakPolarHBondContact O-CA 3.18Å; K53-K80 PolarHBondContact O-N 3.28Å; K53-E81 HydrophobicContact CB-CB 4.33Å; K53-E81 VanDerWaalsContact CD-CD 3.49Å; K53-E81 HydrophobicContact CD-CG 4.43Å; K53-E81 VanDerWaalsContact CD-OE1 3.24Å; K53-E81 WeakPolarHBondContact CD-OE1 3.4Å; K53-E81 WeakPolarHBondContact CD-OE2 3.45Å; K53-E81 WeakPolarHBondContact CE-OE1 3.36Å; K53-E81 IonicContact NZ-OE1 2.83Å; K53-E81 PolarHBondContact NZ-OE1 3.25Å; K53-E81 IonicContact NZ-OE2 3.66Å; K53-E81 PolarHBondContact NZ-OE2 3.16Å; K53-E81 PolarHBondContact O-N 3.32Å; K53-V84 HydrophobicContact CB-CB 4.14Å; K53-V84 HydrophobicContact CB-CG1 4.04Å; K53-V84 HydrophobicContact CB-CG2 4.17Å; K53-V84 HydrophobicContact CD-CG2 3.82Å |
| 54 | A | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 145.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | V46 D47 V84 L88 | V46-A54 WeakPolarHBondContact CA-O 3.32Å; D47-A54 PolarHBondContact N-O 2.63Å; D47-A54 PolarHBondContact OD1-N 3.32Å; D47-A54 VanDerWaalsContact OD1-O 3.11Å; A54-V84 HydrophobicContact CB-CG1 4.14Å; A54-L88 HydrophobicContact CB-CD1 3.63Å |
| 55 | V | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.2 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | L13 L17 V27 V44 V45 V46 F52 V77 F78 | L13-V55 HydrophobicContact CD2-CG2 4.09Å; L17-V55 HydrophobicContact CD2-CG1 4.21Å; V27-V55 HydrophobicContact CG1-CG1 3.87Å; V27-V55 HydrophobicContact CG1-CG2 4.06Å; V27-V55 HydrophobicContact CG2-CG1 4.39Å; V44-V55 HydrophobicContact CG1-CG2 3.56Å; V45-V55 CarbonylContact O-C 3.57Å; V45-V55 WeakPolarHBondContact O-CA 3.45Å; V46-V55 HydrophobicContact CG1-CB 3.98Å; V46-V55 HydrophobicContact CG1-CG2 3.82Å; F52-V55 HydrophobicContact CD2-CB 4.12Å; F52-V55 HydrophobicContact CD2-CG1 4.28Å; F52-V55 HydrophobicContact CE2-CB 4.17Å; F52-V55 HydrophobicContact CE2-CG1 3.84Å; V55-V77 WeakPolarHBondContact O-CA 3.01Å; V55-F78 HydrophobicContact CG1-CB 3.8Å; V55-F78 HydrophobicContact CG1-CD1 3.79Å; V55-F78 HydrophobicContact CG1-CG 4.3Å; V55-F78 WeakPolarHBondContact CG1-O 3.46Å; V55-F78 PolarHBondContact N-O 3.38Å; V55-F78 PolarHBondContact O-N 3.28Å |
| 56 | I | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125 | 178.9 | -58.7 | -171 | 0 | 0 | 0 | 107.9 | V45 Y75 A76 V77 Y85 L88 L89 T94 | V45-I56 PolarHBondContact N-O 3.43Å; V45-I56 PolarHBondContact O-N 2.83Å; I56-Y75 HydrophobicContact CG2-CD1 3.71Å; I56-A76 CarbonylContact C-O 3.57Å; I56-A76 WeakPolarHBondContact CA-O 3.44Å; I56-V77 HydrophobicContact CB-CG1 4.42Å; I56-V77 HydrophobicContact CD1-CG1 4.22Å; I56-V77 HydrophobicContact CG1-CB 4.45Å; I56-V77 HydrophobicContact CG1-CG1 3.91Å; I56-V77 HydrophobicContact CG2-CG1 4.15Å; I56-Y85 HydrophobicContact CD1-CD2 4.43Å; I56-Y85 HydrophobicContact CD1-CE2 4.28Å; I56-L88 HydrophobicContact CD1-CB 3.98Å; I56-L88 HydrophobicContact CD1-CD1 4.34Å; I56-L88 HydrophobicContact CG1-CD1 4.29Å; I56-L89 HydrophobicContact CD1-CD1 3.56Å; I56-T94 HydrophobicContact CD1-CG2 3.91Å |
| 57 | T | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.5 | 162.9 | 73.9 | 0 | 0 | 0 | 0 | 109 | V27 A30 I34 E43 V44 Y75 A76 | V27-T57 HydrophobicContact CG1-CG2 3.96Å; A30-T57 HydrophobicContact CB-CG2 3.92Å; I34-T57 HydrophobicContact CD1-CG2 4.44Å; E43-T57 WeakPolarHBondContact O-CA 3.28Å; V44-T57 HydrophobicContact CG2-CG2 4.32Å; T57-Y75 WeakPolarHBondContact O-CA 3.35Å; T57-A76 PolarHBondContact N-O 2.84Å; T57-A76 PolarHBondContact O-N 3.28Å; T57-A76 VanDerWaalsContact O-N 3.15Å; T57-A76 WeakPolarHBondContact OG1-CB 3.28Å; T57-A76 PolarHBondContact OG1-N 3.13Å |
| 58 | R | 95.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.4 | -179.1 | 65.1 | 170 | -174 | -169.2 | -5.1 | 111.7 | K42 E43 V45 Y75 N93 T94 | K42-R58 CarbonylContact C-O 3.45Å; K42-R58 WeakPolarHBondContact CA-O 3.47Å; K42-R58 VanDerWaalsContact CB-O 3.28Å; K42-R58 WeakPolarHBondContact CB-O 3.49Å; E43-R58 HydrophobicContact CG-CG 3.77Å; E43-R58 PolarHBondContact N-O 2.91Å; E43-R58 PolarHBondContact O-N 2.78Å; E43-R58 IonicContact OE1-CZ 3.61Å; E43-R58 IonicContact OE1-NE 2.82Å; E43-R58 PolarHBondContact OE1-NE 3.3Å; E43-R58 IonicContact OE1-NH2 3.8Å; E43-R58 PolarHBondContact OE1-NH2 3.45Å; V45-R58 HydrophobicContact CG2-CG 4.15Å; R58-Y75 HydrophobicContact CB-CD1 3.39Å; R58-Y75 HydrophobicContact CB-CE1 3.22Å; R58-Y75 HydrophobicContact CB-CG 4.35Å; R58-Y75 HydrophobicContact CG-CE1 4.31Å; R58-N93 PolarHBondContact NH1-O 3.06Å; R58-N93 PolarHBondContact NH2-O 2.87Å; R58-T94 WeakPolarHBondContact CD-O 3.28Å; R58-T94 VanDerWaalsContact NH1-C 3.26Å; R58-T94 PolarHBondContact NH1-O 2.94Å |
| 59 | P | 94.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 143.5 | 164.7 | -20.2 | 33.7 | 0 | 0 | 0 | 111 | R61 T72 | P59-R61 PolarHBondContact O-N 3.47Å; P59-T72 VanDerWaalsContact CG-O 3.32Å; P59-T72 WeakPolarHBondContact CG-O 3.16Å |
| 60 | Q | 93.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -58.7 | 132 | 169.1 | -77.3 | 173.5 | -17.8 | 0 | 0 | 109.7 | R41 E43 E62 N63 C64 | R41-Q60 VanDerWaalsContact O-CB 3.3Å; R41-Q60 WeakPolarHBondContact O-CB 3.27Å; R41-Q60 WeakPolarHBondContact O-CG 3.29Å; R41-Q60 PolarHBondContact O-N 3.41Å; E43-Q60 HydrophobicContact CB-CG 4.07Å; E43-Q60 HydrophobicContact CG-CG 4.24Å; Q60-E62 VanDerWaalsContact C-N 3.25Å; Q60-E62 PolarHBondContact O-N 3.35Å; Q60-N63 HydrophobicContact CB-CB 4.41Å; Q60-N63 PolarHBondContact O-N 3.04Å; Q60-N63 PolarHBondContact OE1-ND2 3.47Å; Q60-C64 PolarHBondContact O-N 3.26Å | ||
| 61 | R | 85 | Confident | 91.3 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -58.7 | -37 | -172.9 | -62.7 | -176.7 | 81.4 | 175.7 | 8.2 | 112.9 | P59 N63 C64 T92 N93 | P59-R61 PolarHBondContact O-N 3.47Å; R61-N63 PolarHBondContact O-N 3.05Å; R61-C64 PolarHBondContact O-N 2.81Å; R61-T92 PolarHBondContact NH2-O 3.16Å; R61-N93 PolarHBondContact NH1-OD1 3Å |
| 62 | E | 81.1 | Confident | 91.2 | Very high | 183 Ų | 183 | 48.9 Ų | 48.9 | 86% | 0.855 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -67.5 | -19 | 179.7 | -61.5 | 170.4 | -164.5 | 0 | 0 | 113.5 | Q60 | Q60-E62 VanDerWaalsContact C-N 3.25Å; Q60-E62 PolarHBondContact O-N 3.35Å |
| 63 | N | 74.1 | Confident | 91.1 | Very high | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -107.1 | -4.6 | -175.1 | -71.8 | -58.7 | 0 | 0 | 0 | 113.4 | R41 Q60 R61 R65 | R41-N63 HydrophobicContact CB-CB 4.48Å; R41-N63 WeakPolarHBondContact CD-ND2 3.49Å; R41-N63 PolarHBondContact NH1-OD1 2.69Å; Q60-N63 HydrophobicContact CB-CB 4.41Å; Q60-N63 PolarHBondContact O-N 3.04Å; Q60-N63 PolarHBondContact OE1-ND2 3.47Å; R61-N63 PolarHBondContact O-N 3.05Å; N63-R65 PolarHBondContact O-N 3.01Å |
| 64 | C | 70.8 | Confident | 91 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | trans | -76.9 | 114.3 | 174.6 | -174 | 0 | 0 | 0 | 0 | 109.3 | Q60 R61 N73 Q99 | Q60-C64 PolarHBondContact O-N 3.26Å; R61-C64 PolarHBondContact O-N 2.81Å; C64-N73 PolarHBondContact SG-OD1 3.5Å; C64-Q99 PolarHBondContact SG-OE1 3.23Å | ||
| 65 | R | 74.1 | Confident | 91 | Very high | 218 Ų | 218 | 45.7 Ų | 45.7 | 82% | 0.823 | 21% | 0.212 | S | C | * | . | trans | -118.4 | -32.8 | -172.6 | -65.4 | -174.6 | -179.4 | -163.5 | -0.8 | 114.3 | N63 | N63-R65 PolarHBondContact O-N 3.01Š| ||
| 66 | D | 91.3 | Very high | 91 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | trans | -110.7 | 109 | -178.5 | -173.4 | -4 | 0 | 0 | 0 | 110.5 | L68 D69 N73 R176 | D66-L68 PolarHBondContact O-N 3.39Å; D66-L68 WeakPolarHBondContact OD1-CB 3.43Å; D66-L68 PolarHBondContact OD1-N 2.88Å; D66-D69 HydrophobicContact CB-CB 3.88Å; D66-D69 PolarHBondContact O-N 3.2Å; D66-N73 PolarHBondContact O-ND2 3.39Å; D66-R176 IonicContact OD1-NE 3.06Å; D66-R176 WeakPolarHBondContact OD2-CD 3.4Å; D66-R176 IonicContact OD2-CZ 2.72Å; D66-R176 IonicContact OD2-NE 2.82Å; D66-R176 PolarHBondContact OD2-NE 3.12Å | ||
| 67 | N | 93.3 | Very high | 91 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 40% | 0.401 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -9.9 | 178.2 | -70.7 | -27.8 | 0 | 0 | 0 | 113.1 | Q99 I100 F282 | N67-Q99 HydrophobicContact CB-CB 3.92Å; N67-Q99 CarbonylContact O-C 3.53Å; N67-Q99 VanDerWaalsContact O-CA 3.31Å; N67-Q99 WeakPolarHBondContact O-CA 3.46Å; N67-Q99 WeakPolarHBondContact O-CB 3.44Å; N67-I100 PolarHBondContact O-N 3.41Å; N67-F282 HydrophobicContact CB-CZ 4.26Å |
| 68 | L | 94.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -11.9 | -179.1 | -58.4 | 173 | 0 | 0 | 0 | 112.2 | D66 H70 I100 F282 L288 | D66-L68 PolarHBondContact O-N 3.39Å; D66-L68 WeakPolarHBondContact OD1-CB 3.43Å; D66-L68 PolarHBondContact OD1-N 2.88Å; L68-H70 PolarHBondContact O-N 3.24Å; L68-I100 HydrophobicContact CB-CD1 4.49Å; L68-I100 HydrophobicContact CD2-CD1 3.69Å; L68-I100 HydrophobicContact CD2-CG1 4.17Å; L68-F282 HydrophobicContact CD2-CD1 3.59Å; L68-F282 HydrophobicContact CD2-CD2 4.17Å; L68-F282 HydrophobicContact CD2-CE1 3.65Å; L68-F282 HydrophobicContact CD2-CE2 4.21Å; L68-F282 HydrophobicContact CD2-CG 3.88Å; L68-F282 HydrophobicContact CD2-CZ 3.97Å; L68-L288 HydrophobicContact CD1-CB 3.97Å |
| 69 | D | 94.2 | Very high | 91.2 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | trans | -80.9 | 78.6 | -178.8 | -176.9 | 8.7 | 0 | 0 | 0 | 112.5 | D66 Y71 T72 N73 | D66-D69 HydrophobicContact CB-CB 3.88Å; D66-D69 PolarHBondContact O-N 3.2Å; D69-Y71 PolarHBondContact O-N 2.82Å; D69-Y71 VanDerWaalsContact O-N 3.15Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.41Å; D69-Y71 VanDerWaalsContact OD1-CB 3.28Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.35Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.45Å; D69-Y71 PolarHBondContact OD1-N 3.48Å; D69-T72 PolarHBondContact O-N 3.41Å; D69-T72 PolarHBondContact OD1-N 2.99Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 PolarHBondContact OD2-OG1 2.94Å; D69-N73 WeakPolarHBondContact O-CB 3.39Å; D69-N73 PolarHBondContact O-N 2.6Å; D69-N73 PolarHBondContact O-ND2 3Å; D69-N73 VanDerWaalsContact O-ND2 3.15Å | ||
| 70 | H | 94.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.2 | 174.5 | 79.6 | -85.6 | 0 | 0 | 0 | 113.7 | L68 I100 Q102 R274 | L68-H70 PolarHBondContact O-N 3.24Å; H70-I100 HydrophobicContact CB-CB 4.31Å; H70-I100 HydrophobicContact CB-CG2 3.67Å; H70-Q102 VanDerWaalsContact O-CD 3.3Å; H70-Q102 VanDerWaalsContact O-CG 3.31Å; H70-Q102 WeakPolarHBondContact O-CG 3.31Å; H70-Q102 PolarHBondContact O-NE2 3.04Å; H70-R274 PolarHBondContact CD2-NH2 3.48Å; H70-R274 PolarHBondContact NE2-NH2 2.88Å |
| 71 | Y | 95.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -46.9 | 177.8 | -55.6 | -89.3 | 0 | 0 | 0 | 110.8 | D69 A74 Q102 W169 R171 N174 R176 C177 Y180 Q208 | D69-Y71 PolarHBondContact O-N 2.82Å; D69-Y71 VanDerWaalsContact O-N 3.15Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.41Å; D69-Y71 VanDerWaalsContact OD1-CB 3.28Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.35Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.45Å; D69-Y71 PolarHBondContact OD1-N 3.48Å; Y71-A74 WeakPolarHBondContact O-CB 3.19Å; Y71-Q102 PolarHBondContact O-NE2 3.33Å; Y71-W169 HydrophobicContact CD1-CZ3 4.27Å; Y71-W169 HydrophobicContact CE1-CZ3 4.23Å; Y71-R171 HydrophobicContact CE1-CB 4.49Å; Y71-R171 PolarHBondContact OH-O 3.1Å; Y71-N174 PolarHBondContact OH-ND2 2.69Å; Y71-R176 HydrophobicContact CD2-CB 4.24Å; Y71-R176 HydrophobicContact CE2-CB 4.26Å; Y71-C177 HydrophobicContact CD2-CB 4.49Å; Y71-C177 HydrophobicContact CE1-CB 3.99Å; Y71-C177 HydrophobicContact CE2-CB 3.81Å; Y71-Y180 VanDerWaalsContact CB-CG 3.42Å; Y71-Y180 HydrophobicContact CD1-CD1 4.04Å; Y71-Y180 HydrophobicContact CD1-CE1 4.43Å; Y71-Y180 HydrophobicContact CD1-CG 4.47Å; Y71-Y180 HydrophobicContact CG-CD1 4.16Å; Y71-Y180 HydrophobicContact CG-CG 4.12Å; Y71-Q208 PolarHBondContact O-NE2 3.18Å |
| 72 | T | 94.4 | Very high | 92.2 | Very high | 36 Ų | 36 | 49.6 Ų | 49.6 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -31.6 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | F40 P59 D69 A74 | F40-T72 HydrophobicContact CD1-CG2 4.48Å; P59-T72 VanDerWaalsContact CG-O 3.32Å; P59-T72 WeakPolarHBondContact CG-O 3.16Å; D69-T72 PolarHBondContact O-N 3.41Å; D69-T72 PolarHBondContact OD1-N 2.99Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 PolarHBondContact OD2-OG1 2.94Å; T72-A74 PolarHBondContact O-N 3.47Å |
| 73 | N | 95.9 | Very high | 93 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -73.5 | 60 | 171.9 | -61.8 | -24.5 | 0 | 0 | 0 | 110.7 | C64 D66 D69 I100 F101 Q102 | C64-N73 PolarHBondContact SG-OD1 3.5Å; D66-N73 PolarHBondContact O-ND2 3.39Å; D69-N73 WeakPolarHBondContact O-CB 3.39Å; D69-N73 PolarHBondContact O-N 2.6Å; D69-N73 PolarHBondContact O-ND2 3Å; D69-N73 VanDerWaalsContact O-ND2 3.15Å; N73-I100 WeakPolarHBondContact CB-O 3.32Å; N73-I100 PolarHBondContact ND2-O 3.22Å; N73-I100 VanDerWaalsContact ND2-O 3.08Å; N73-F101 HydrophobicContact CB-CB 3.86Å; N73-F101 CarbonylContact O-C 3.48Å; N73-F101 WeakPolarHBondContact O-CA 3.48Å; N73-F101 WeakPolarHBondContact O-CB 3.32Å; N73-Q102 PolarHBondContact O-N 2.99Å |
| 74 | A | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K42 Y71 T72 Q102 F209 | K42-A74 WeakPolarHBondContact CE-O 3.31Å; K42-A74 PolarHBondContact NZ-O 3.16Å; Y71-A74 WeakPolarHBondContact O-CB 3.19Å; T72-A74 PolarHBondContact O-N 3.47Å; A74-Q102 CarbonylContact C-O 3.48Å; A74-Q102 WeakPolarHBondContact CA-O 3.36Å; A74-Q102 HydrophobicContact CB-CG 3.57Å; A74-F209 HydrophobicContact CB-CE2 3.84Å; A74-F209 HydrophobicContact CB-CZ 3.63Å |
| 75 | Y | 98.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.3 | -178.5 | -63.4 | -107.2 | 0 | 0 | 0 | 109 | I56 T57 R58 I95 Q99 F101 Q102 Q104 | I56-Y75 HydrophobicContact CG2-CD1 3.71Å; T57-Y75 WeakPolarHBondContact O-CA 3.35Å; R58-Y75 HydrophobicContact CB-CD1 3.39Å; R58-Y75 HydrophobicContact CB-CE1 3.22Å; R58-Y75 HydrophobicContact CB-CG 4.35Å; R58-Y75 HydrophobicContact CG-CE1 4.31Å; Y75-I95 HydrophobicContact CD1-CD1 3.58Å; Y75-I95 HydrophobicContact CE1-CD1 3.45Å; Y75-I95 VanDerWaalsContact CE1-CD1 3.45Å; Y75-I95 HydrophobicContact CG-CD1 4.27Å; Y75-Q99 PolarHBondContact OH-NE2 3.04Å; Y75-F101 HydrophobicContact CD2-CB 4.25Å; Y75-F101 AromaticContact CD2-CD2 3.93Å; Y75-F101 HydrophobicContact CD2-CD2 3.93Å; Y75-F101 HydrophobicContact CD2-CG 4.42Å; Y75-F101 HydrophobicContact CE2-CB 3.86Å; Y75-F101 AromaticContact CE2-CD2 3.96Å; Y75-F101 HydrophobicContact CE2-CD2 3.96Å; Y75-F101 HydrophobicContact CE2-CG 4.08Å; Y75-Q102 PolarHBondContact N-O 3.06Å; Y75-Q104 PolarHBondContact O-N 3.37Å |
| 76 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | K26 V27 I56 T57 Q104 F209 | K26-A76 HydrophobicContact CB-CB 4.4Å; K26-A76 HydrophobicContact CG-CB 3.78Å; V27-A76 HydrophobicContact CG2-CB 4.1Å; I56-A76 CarbonylContact C-O 3.57Å; I56-A76 WeakPolarHBondContact CA-O 3.44Å; T57-A76 PolarHBondContact N-O 2.84Å; T57-A76 PolarHBondContact O-N 3.28Å; T57-A76 VanDerWaalsContact O-N 3.15Å; T57-A76 WeakPolarHBondContact OG1-CB 3.28Å; T57-A76 PolarHBondContact OG1-N 3.13Å; A76-Q104 VanDerWaalsContact CA-O 3.26Å; A76-Q104 WeakPolarHBondContact CA-O 3.38Å; A76-F209 HydrophobicContact CB-CD1 3.55Å; A76-F209 HydrophobicContact CB-CE1 3.37Å; A76-F209 HydrophobicContact CB-CZ 4.3Å |
| 77 | V | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.9 | -170.8 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | V55 I56 Y85 I103 Q104 I110 | V55-V77 WeakPolarHBondContact O-CA 3.01Å; I56-V77 HydrophobicContact CB-CG1 4.42Å; I56-V77 HydrophobicContact CD1-CG1 4.22Å; I56-V77 HydrophobicContact CG1-CB 4.45Å; I56-V77 HydrophobicContact CG1-CG1 3.91Å; I56-V77 HydrophobicContact CG2-CG1 4.15Å; V77-Y85 HydrophobicContact CB-CD2 4.5Å; V77-Y85 HydrophobicContact CB-CE2 3.74Å; V77-Y85 HydrophobicContact CG1-CE2 3.88Å; V77-Y85 HydrophobicContact CG2-CE2 3.93Å; V77-I103 HydrophobicContact CB-CG2 4.41Å; V77-I103 HydrophobicContact CG1-CG2 3.71Å; V77-I103 HydrophobicContact CG2-CG2 3.73Å; V77-Q104 PolarHBondContact N-O 2.94Å; V77-I110 HydrophobicContact CG2-CD1 3.58Å; V77-I110 HydrophobicContact CG2-CG1 3.89Å |
| 78 | F | 98.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.5 | 170.7 | 166.8 | -106.3 | 0 | 0 | 0 | 108.6 | L17 E23 V27 F52 V55 K80 | L17-F78 HydrophobicContact CD2-CD1 3.58Å; L17-F78 HydrophobicContact CD2-CE1 4.02Å; L17-F78 HydrophobicContact CD2-CG 4.32Å; E23-F78 HydrophobicContact CB-CD2 4.12Å; E23-F78 HydrophobicContact CB-CE2 3.96Å; V27-F78 HydrophobicContact CB-CB 4.22Å; V27-F78 HydrophobicContact CG2-CB 3.67Å; F52-F78 AromaticContact CE2-CD1 3.91Å; F52-F78 HydrophobicContact CE2-CD1 3.91Å; F52-F78 AromaticContact CE2-CE1 3.86Å; F52-F78 HydrophobicContact CE2-CE1 3.86Å; F52-F78 HydrophobicContact CZ-CD1 4.39Å; F52-F78 HydrophobicContact CZ-CE1 4.13Å; V55-F78 HydrophobicContact CG1-CB 3.8Å; V55-F78 HydrophobicContact CG1-CD1 3.79Å; V55-F78 HydrophobicContact CG1-CG 4.3Å; V55-F78 WeakPolarHBondContact CG1-O 3.46Å; V55-F78 PolarHBondContact N-O 3.38Å; V55-F78 PolarHBondContact O-N 3.28Å; F78-K80 HydrophobicContact CE1-CG 4.23Å; F78-K80 HydrophobicContact CZ-CG 4.21Å |
| 79 | Y | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 32 Ų | 32 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 147.6 | -180 | 64 | -95.2 | 0 | 0 | 0 | 112.5 | K53 V82 Y85 Q107 G109 I110 | K53-Y79 CarbonylContact O-C 3.58Å; K53-Y79 WeakPolarHBondContact O-CA 3.18Å; Y79-V82 HydrophobicContact CD2-CB 4.22Å; Y79-V82 HydrophobicContact CE2-CB 3.81Å; Y79-V82 HydrophobicContact CE2-CG2 4.13Å; Y79-Y85 AromaticContact CD1-CD1 3.79Å; Y79-Y85 HydrophobicContact CD1-CD1 3.79Å; Y79-Y85 HydrophobicContact CD1-CD2 4.1Å; Y79-Y85 HydrophobicContact CD1-CE1 4.38Å; Y79-Y85 AromaticContact CD1-CG 3.65Å; Y79-Y85 HydrophobicContact CD1-CG 3.65Å; Y79-Y85 AromaticContact CE1-CD1 3.94Å; Y79-Y85 HydrophobicContact CE1-CD1 3.94Å; Y79-Y85 HydrophobicContact CE1-CE1 4.29Å; Y79-Y85 HydrophobicContact CE1-CG 4.28Å; Y79-Y85 HydrophobicContact CG-CD1 4.44Å; Y79-Y85 HydrophobicContact CG-CG 4.06Å; Y79-Q107 HydrophobicContact CE1-CB 3.68Å; Y79-Q107 HydrophobicContact CE1-CG 4.35Å; Y79-Q107 PolarHBondContact O-NE2 2.72Å; Y79-Q107 PolarHBondContact O-OE1 3.37Å; Y79-G109 VanDerWaalsContact OH-CA 3.28Å; Y79-G109 WeakPolarHBondContact OH-CA 3.44Å; Y79-G109 PolarHBondContact OH-N 2.73Å; Y79-I110 HydrophobicContact CE1-CG1 4.1Å |
| 80 | K | 97.9 | Very high | 97.3 | Very high | 106 Ų | 106 | 34.9 Ų | 34.9 | 46% | 0.461 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -95.2 | -31.3 | 168.6 | -57.3 | 176.4 | -172 | 160.2 | 0 | 110.8 | F52 K53 F78 | F52-K80 PolarHBondContact O-NZ 3.33Å; K53-K80 PolarHBondContact O-N 3.28Å; F78-K80 HydrophobicContact CE1-CG 4.23Å; F78-K80 HydrophobicContact CZ-CG 4.21Å |
| 81 | E | 98.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 39% | 0.388 | 17% | 0.174 | S | C | . | . | trans | -126 | 118.5 | 178 | -68.2 | 177.4 | -142.1 | 0 | 0 | 110.2 | K53 Q83 V84 Y85 | K53-E81 HydrophobicContact CB-CB 4.33Å; K53-E81 VanDerWaalsContact CD-CD 3.49Å; K53-E81 HydrophobicContact CD-CG 4.43Å; K53-E81 VanDerWaalsContact CD-OE1 3.24Å; K53-E81 WeakPolarHBondContact CD-OE1 3.4Å; K53-E81 WeakPolarHBondContact CD-OE2 3.45Å; K53-E81 WeakPolarHBondContact CE-OE1 3.36Å; K53-E81 IonicContact NZ-OE1 2.83Å; K53-E81 PolarHBondContact NZ-OE1 3.25Å; K53-E81 IonicContact NZ-OE2 3.66Å; K53-E81 PolarHBondContact NZ-OE2 3.16Å; K53-E81 PolarHBondContact O-N 3.32Å; E81-Q83 VanDerWaalsContact C-N 3.28Å; E81-Q83 PolarHBondContact O-N 3.26Å; E81-V84 HydrophobicContact CB-CB 4.36Å; E81-V84 HydrophobicContact CB-CG2 4.06Å; E81-V84 PolarHBondContact O-N 3.35Å; E81-Y85 PolarHBondContact O-N 3.29Å | ||
| 82 | V | 98 | Very high | 97.1 | Very high | 72 Ų | 72 | 39.2 Ų | 39.2 | 44% | 0.436 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -33.8 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 112.8 | Y79 Y85 K86 V113 | Y79-V82 HydrophobicContact CD2-CB 4.22Å; Y79-V82 HydrophobicContact CE2-CB 3.81Å; Y79-V82 HydrophobicContact CE2-CG2 4.13Å; V82-Y85 WeakPolarHBondContact O-CB 3.31Å; V82-Y85 PolarHBondContact O-N 3.39Å; V82-K86 PolarHBondContact O-N 3.04Å; V82-V113 HydrophobicContact CG2-CG2 3.59Å |
| 83 | Q | 98.1 | Very high | 97 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67 | -40.1 | 179.7 | -176.9 | 52.7 | 39.2 | 0 | 0 | 111.5 | E81 Y85 K86 E87 | E81-Q83 VanDerWaalsContact C-N 3.28Å; E81-Q83 PolarHBondContact O-N 3.26Å; Q83-Y85 VanDerWaalsContact C-N 3.35Å; Q83-K86 WeakPolarHBondContact O-CB 3.35Å; Q83-K86 PolarHBondContact O-N 2.94Å; Q83-E87 PolarHBondContact NE2-OE1 3.43Å; Q83-E87 WeakPolarHBondContact O-CG 3.42Å; Q83-E87 PolarHBondContact O-N 2.84Å |
| 84 | V | 98.2 | Very high | 96.8 | Very high | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.2 | -35.7 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | D47 K53 A54 E81 E87 L88 | D47-V84 HydrophobicContact CB-CG1 3.34Å; K53-V84 HydrophobicContact CB-CB 4.14Å; K53-V84 HydrophobicContact CB-CG1 4.04Å; K53-V84 HydrophobicContact CB-CG2 4.17Å; K53-V84 HydrophobicContact CD-CG2 3.82Å; A54-V84 HydrophobicContact CB-CG1 4.14Å; E81-V84 HydrophobicContact CB-CB 4.36Å; E81-V84 HydrophobicContact CB-CG2 4.06Å; E81-V84 PolarHBondContact O-N 3.35Å; V84-E87 PolarHBondContact O-N 3Å; V84-L88 PolarHBondContact O-N 3.33Å |
| 85 | Y | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 170.7 | 169.1 | -115.4 | 0 | 0 | 0 | 112.2 | I56 V77 Y79 E81 V82 Q83 E87 L88 L89 V113 | I56-Y85 HydrophobicContact CD1-CD2 4.43Å; I56-Y85 HydrophobicContact CD1-CE2 4.28Å; V77-Y85 HydrophobicContact CB-CD2 4.5Å; V77-Y85 HydrophobicContact CB-CE2 3.74Å; V77-Y85 HydrophobicContact CG1-CE2 3.88Å; V77-Y85 HydrophobicContact CG2-CE2 3.93Å; Y79-Y85 AromaticContact CD1-CD1 3.79Å; Y79-Y85 HydrophobicContact CD1-CD1 3.79Å; Y79-Y85 HydrophobicContact CD1-CD2 4.1Å; Y79-Y85 HydrophobicContact CD1-CE1 4.38Å; Y79-Y85 AromaticContact CD1-CG 3.65Å; Y79-Y85 HydrophobicContact CD1-CG 3.65Å; Y79-Y85 AromaticContact CE1-CD1 3.94Å; Y79-Y85 HydrophobicContact CE1-CD1 3.94Å; Y79-Y85 HydrophobicContact CE1-CE1 4.29Å; Y79-Y85 HydrophobicContact CE1-CG 4.28Å; Y79-Y85 HydrophobicContact CG-CD1 4.44Å; Y79-Y85 HydrophobicContact CG-CG 4.06Å; E81-Y85 PolarHBondContact O-N 3.29Å; V82-Y85 WeakPolarHBondContact O-CB 3.31Å; V82-Y85 PolarHBondContact O-N 3.39Å; Q83-Y85 VanDerWaalsContact C-N 3.35Å; Y85-E87 PolarHBondContact O-N 3.04Å; Y85-L88 PolarHBondContact O-N 2.71Å; Y85-L89 HydrophobicContact CD2-CD1 3.74Å; Y85-L89 HydrophobicContact CE1-CD1 4.36Å; Y85-L89 HydrophobicContact CE1-CD2 4Å; Y85-L89 HydrophobicContact CE2-CD1 3.18Å; Y85-L89 HydrophobicContact CE2-CD2 4.21Å; Y85-L89 HydrophobicContact CE2-CG 4.33Å; Y85-L89 PolarHBondContact O-N 3.14Å; Y85-L89 WeakPolarHBondContact OH-CD2 3.45Å; Y85-V113 HydrophobicContact CD1-CB 4.15Å; Y85-V113 HydrophobicContact CD1-CG1 3.83Å; Y85-V113 HydrophobicContact CD1-CG2 4.19Å; Y85-V113 HydrophobicContact CE1-CB 3.83Å; Y85-V113 HydrophobicContact CE1-CG1 3.69Å; Y85-V113 HydrophobicContact CE1-CG2 4.3Å |
| 86 | K | 98.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 23% | 0.226 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.1 | 179.4 | 178.4 | 171.5 | -175.6 | 0 | 111.7 | V82 Q83 L88 L89 E90 V113 V117 | V82-K86 PolarHBondContact O-N 3.04Å; Q83-K86 WeakPolarHBondContact O-CB 3.35Å; Q83-K86 PolarHBondContact O-N 2.94Å; K86-L88 VanDerWaalsContact C-N 3.32Å; K86-L88 PolarHBondContact O-N 3.15Å; K86-L89 WeakPolarHBondContact O-CB 3.26Å; K86-L89 PolarHBondContact O-N 3.1Å; K86-E90 WeakPolarHBondContact CE-OE1 3.41Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 3.07Å; K86-V113 HydrophobicContact CB-CG1 3.73Å; K86-V113 HydrophobicContact CG-CG1 4.03Å; K86-V117 HydrophobicContact CG-CG2 3.93Å |
| 87 | E | 97.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 44.9 Ų | 44.9 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 176.4 | -71.9 | 165.3 | -160.5 | 0 | 0 | 112.4 | Q83 V84 Y85 L89 E90 N91 | Q83-E87 PolarHBondContact NE2-OE1 3.43Å; Q83-E87 WeakPolarHBondContact O-CG 3.42Å; Q83-E87 PolarHBondContact O-N 2.84Å; V84-E87 PolarHBondContact O-N 3Å; Y85-E87 PolarHBondContact O-N 3.04Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.37Å; E87-E90 PolarHBondContact O-N 3.13Å; E87-N91 PolarHBondContact O-N 2.95Å |
| 88 | L | 97.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 173.6 | -77.8 | -174.9 | 0 | 0 | 0 | 112.3 | M1 D47 A54 I56 V84 Y85 K86 N91 T94 | M1-L88 HydrophobicContact CB-CD2 3.98Å; M1-L88 HydrophobicContact CG-CD2 3.81Å; D47-L88 HydrophobicContact CB-CD1 4.33Å; D47-L88 HydrophobicContact CB-CD2 4.41Å; D47-L88 HydrophobicContact CB-CG 4.38Å; A54-L88 HydrophobicContact CB-CD1 3.63Å; I56-L88 HydrophobicContact CD1-CB 3.98Å; I56-L88 HydrophobicContact CD1-CD1 4.34Å; I56-L88 HydrophobicContact CG1-CD1 4.29Å; V84-L88 PolarHBondContact O-N 3.33Å; Y85-L88 PolarHBondContact O-N 2.71Å; K86-L88 VanDerWaalsContact C-N 3.32Å; K86-L88 PolarHBondContact O-N 3.15Å; L88-N91 PolarHBondContact O-N 3.03Å; L88-T94 WeakPolarHBondContact O-CB 3.11Å; L88-T94 WeakPolarHBondContact O-CG2 3.3Å; L88-T94 PolarHBondContact O-OG1 2.96Å |
| 89 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.7 | -38.3 | 176.9 | -100.8 | 61 | 0 | 0 | 0 | 112.7 | I56 Y85 K86 E87 N91 I95 W97 I103 V113 V117 | I56-L89 HydrophobicContact CD1-CD1 3.56Å; Y85-L89 HydrophobicContact CD2-CD1 3.74Å; Y85-L89 HydrophobicContact CE1-CD1 4.36Å; Y85-L89 HydrophobicContact CE1-CD2 4Å; Y85-L89 HydrophobicContact CE2-CD1 3.18Å; Y85-L89 HydrophobicContact CE2-CD2 4.21Å; Y85-L89 HydrophobicContact CE2-CG 4.33Å; Y85-L89 PolarHBondContact O-N 3.14Å; Y85-L89 WeakPolarHBondContact OH-CD2 3.45Å; K86-L89 WeakPolarHBondContact O-CB 3.26Å; K86-L89 PolarHBondContact O-N 3.1Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.37Å; L89-N91 PolarHBondContact O-N 3.46Å; L89-I95 HydrophobicContact CG-CG1 4.46Å; L89-W97 WeakPolarHBondContact O-CZ2 3.39Å; L89-W97 PolarHBondContact O-NE1 2.94Å; L89-I103 HydrophobicContact CD1-CD1 4.44Å; L89-I103 HydrophobicContact CD2-CD1 4.03Å; L89-I103 HydrophobicContact CG-CD1 4.25Å; L89-V113 HydrophobicContact CD2-CG1 3.92Å; L89-V117 HydrophobicContact CB-CG1 4.47Å; L89-V117 HydrophobicContact CB-CG2 4.24Å |
| 90 | E | 96.6 | Very high | 95.8 | Very high | 78 Ų | 78 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -28 | 177.4 | -73 | 172.5 | 170.2 | 0 | 0 | 112.3 | K86 E87 T92 V117 | K86-E90 WeakPolarHBondContact CE-OE1 3.41Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 3.07Å; E87-E90 PolarHBondContact O-N 3.13Å; E90-T92 PolarHBondContact O-N 3.35Å; E90-V117 HydrophobicContact CG-CB 4.49Å; E90-V117 HydrophobicContact CG-CG1 3.84Å; E90-V117 HydrophobicContact CG-CG2 3.82Å |
| 91 | N | 94.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | trans | -70.7 | 114.5 | -179.9 | -168 | -33.3 | 0 | 0 | 0 | 112.1 | E87 L88 L89 N93 T94 I95 | E87-N91 PolarHBondContact O-N 2.95Å; L88-N91 PolarHBondContact O-N 3.03Å; L89-N91 PolarHBondContact O-N 3.46Å; N91-N93 PolarHBondContact O-N 3.13Å; N91-N93 WeakPolarHBondContact OD1-CA 3.4Å; N91-N93 VanDerWaalsContact OD1-CB 3.24Å; N91-N93 WeakPolarHBondContact OD1-CB 3.44Å; N91-N93 PolarHBondContact OD1-N 3.32Å; N91-T94 WeakPolarHBondContact O-CA 3.05Å; N91-T94 WeakPolarHBondContact O-CB 3.14Å; N91-T94 PolarHBondContact O-N 3.34Å; N91-I95 PolarHBondContact O-N 3.4Å; N91-I95 VanDerWaalsContact O-N 3.11Å | ||
| 92 | T | 90.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.2 | 179 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | R61 E90 T94 | R61-T92 PolarHBondContact NH2-O 3.16Å; E90-T92 PolarHBondContact O-N 3.35Å; T92-T94 VanDerWaalsContact C-N 3.25Å |
| 93 | N | 91.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 34 Ų | 34 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.4 | 168.9 | -69.7 | -44.4 | 0 | 0 | 0 | 113 | M1 R58 R61 N91 | M1-N93 HydrophobicContact CE-CB 3.4Å; R58-N93 PolarHBondContact NH1-O 3.06Å; R58-N93 PolarHBondContact NH2-O 2.87Å; R61-N93 PolarHBondContact NH1-OD1 3Å; N91-N93 PolarHBondContact O-N 3.13Å; N91-N93 WeakPolarHBondContact OD1-CA 3.4Å; N91-N93 VanDerWaalsContact OD1-CB 3.24Å; N91-N93 WeakPolarHBondContact OD1-CB 3.44Å; N91-N93 PolarHBondContact OD1-N 3.32Å |
| 94 | T | 92.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -51.5 | 173.7 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | V45 I56 R58 L88 N91 T92 | V45-T94 HydrophobicContact CG1-CG2 4.2Å; I56-T94 HydrophobicContact CD1-CG2 3.91Å; R58-T94 WeakPolarHBondContact CD-O 3.28Å; R58-T94 VanDerWaalsContact NH1-C 3.26Å; R58-T94 PolarHBondContact NH1-O 2.94Å; L88-T94 WeakPolarHBondContact O-CB 3.11Å; L88-T94 WeakPolarHBondContact O-CG2 3.3Å; L88-T94 PolarHBondContact O-OG1 2.96Å; N91-T94 WeakPolarHBondContact O-CA 3.05Å; N91-T94 WeakPolarHBondContact O-CB 3.14Å; N91-T94 PolarHBondContact O-N 3.34Å; T92-T94 VanDerWaalsContact C-N 3.25Å |
| 95 | I | 94.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | -113.5 | 128.3 | -177.6 | -56.2 | -58.9 | 0 | 0 | 0 | 109.7 | Y75 L89 N91 W97 F101 | Y75-I95 HydrophobicContact CD1-CD1 3.58Å; Y75-I95 HydrophobicContact CE1-CD1 3.45Å; Y75-I95 VanDerWaalsContact CE1-CD1 3.45Å; Y75-I95 HydrophobicContact CG-CD1 4.27Å; L89-I95 HydrophobicContact CG-CG1 4.46Å; N91-I95 PolarHBondContact O-N 3.4Å; N91-I95 VanDerWaalsContact O-N 3.11Å; I95-W97 HydrophobicContact CB-CZ2 4.49Å; I95-W97 HydrophobicContact CG2-CD2 3.86Å; I95-W97 HydrophobicContact CG2-CG 4.05Å; I95-W97 HydrophobicContact CG2-CZ2 4.07Å; I95-W97 PolarHBondContact O-N 3.15Å; I95-F101 HydrophobicContact CG2-CE1 3.79Å; I95-F101 HydrophobicContact CG2-CE2 3.87Å; I95-F101 HydrophobicContact CG2-CZ 3.42Å; I95-F101 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 96 | N | 93.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 34% | 0.337 | 16% | 0.156 | S | C | . | . | trans | -82.9 | 105.1 | 166.5 | 179.4 | 9.2 | 0 | 0 | 0 | 107.9 | G98 Q99 | N96-G98 VanDerWaalsContact C-N 3.26Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 PolarHBondContact OD1-N 3.04Å; N96-Q99 HydrophobicContact CB-CG 4.07Å; N96-Q99 PolarHBondContact ND2-OE1 3.18Å; N96-Q99 VanDerWaalsContact O-CG 3.28Å; N96-Q99 WeakPolarHBondContact O-CG 3.39Å | ||
| 97 | W | 95.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 28 Ų | 28 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.7 | 179 | -68.9 | 97.1 | 0 | 0 | 0 | 113.2 | L89 I95 F101 V117 A118 K121 V123 H277 P279 | L89-W97 WeakPolarHBondContact O-CZ2 3.39Å; L89-W97 PolarHBondContact O-NE1 2.94Å; I95-W97 HydrophobicContact CB-CZ2 4.49Å; I95-W97 HydrophobicContact CG2-CD2 3.86Å; I95-W97 HydrophobicContact CG2-CG 4.05Å; I95-W97 HydrophobicContact CG2-CZ2 4.07Å; I95-W97 PolarHBondContact O-N 3.15Å; W97-F101 HydrophobicContact CD2-CE1 4.35Å; W97-F101 HydrophobicContact CD2-CZ 4.24Å; W97-F101 AromaticContact CE3-CE1 3.84Å; W97-F101 HydrophobicContact CE3-CE1 3.84Å; W97-F101 AromaticContact CE3-CZ 3.71Å; W97-F101 HydrophobicContact CE3-CZ 3.71Å; W97-F101 HydrophobicContact CH2-CZ 4.07Å; W97-F101 HydrophobicContact CZ3-CE1 4.2Å; W97-F101 AromaticContact CZ3-CZ 3.65Å; W97-F101 HydrophobicContact CZ3-CZ 3.65Å; W97-V117 HydrophobicContact CH2-CB 4.26Å; W97-V117 HydrophobicContact CH2-CG1 3.86Å; W97-V117 HydrophobicContact CZ2-CB 4.24Å; W97-V117 HydrophobicContact CZ2-CG1 3.42Å; W97-V117 VanDerWaalsContact CZ2-CG1 3.42Å; W97-A118 HydrophobicContact CH2-CB 4.48Å; W97-A118 HydrophobicContact CZ3-CB 4.1Å; W97-K121 HydrophobicContact CD2-CB 4.15Å; W97-K121 HydrophobicContact CD2-CG 3.82Å; W97-K121 HydrophobicContact CE3-CB 4.06Å; W97-K121 HydrophobicContact CE3-CG 4.12Å; W97-K121 HydrophobicContact CG-CB 4.37Å; W97-K121 HydrophobicContact CG-CD 4.3Å; W97-K121 HydrophobicContact CG-CG 4.04Å; W97-V123 HydrophobicContact CE3-CB 4.28Å; W97-V123 HydrophobicContact CE3-CG1 4.21Å; W97-V123 HydrophobicContact CE3-CG2 3.93Å; W97-V123 HydrophobicContact CZ3-CB 4.38Å; W97-V123 HydrophobicContact CZ3-CG1 4.1Å; W97-H277 AromaticContact CZ3-CD2 3.7Å; W97-P279 VanDerWaalsContact O-CG 3.31Å; W97-P279 WeakPolarHBondContact O-CG 3.39Å |
| 98 | G | 93.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 31 Ų | 31 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N96 F282 | N96-G98 VanDerWaalsContact C-N 3.26Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 PolarHBondContact OD1-N 3.04Å; G98-F282 WeakPolarHBondContact O-CE2 3.47Å |
| 99 | Q | 94.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -121.2 | 161.7 | 179 | 66.4 | -172 | 18.7 | 0 | 0 | 110.8 | C64 N67 Y75 N96 F101 P279 | C64-Q99 PolarHBondContact SG-OE1 3.23Å; N67-Q99 HydrophobicContact CB-CB 3.92Å; N67-Q99 CarbonylContact O-C 3.53Å; N67-Q99 VanDerWaalsContact O-CA 3.31Å; N67-Q99 WeakPolarHBondContact O-CA 3.46Å; N67-Q99 WeakPolarHBondContact O-CB 3.44Å; Y75-Q99 PolarHBondContact OH-NE2 3.04Å; N96-Q99 HydrophobicContact CB-CG 4.07Å; N96-Q99 PolarHBondContact ND2-OE1 3.18Å; N96-Q99 VanDerWaalsContact O-CG 3.28Å; N96-Q99 WeakPolarHBondContact O-CG 3.39Å; Q99-F101 HydrophobicContact CG-CB 4.27Å; Q99-F101 HydrophobicContact CG-CD1 4.1Å; Q99-F101 WeakPolarHBondContact O-CD1 3.08Å; Q99-P279 VanDerWaalsContact O-CD 3.24Å; Q99-P279 WeakPolarHBondContact O-CD 3.46Å; Q99-P279 WeakPolarHBondContact O-CG 3.42Å |
| 100 | I | 96.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -77.6 | 125.2 | 162.4 | -46.1 | -178.3 | 0 | 0 | 0 | 107.7 | N67 L68 H70 N73 I276 H277 T278 F282 | N67-I100 PolarHBondContact O-N 3.41Å; L68-I100 HydrophobicContact CB-CD1 4.49Å; L68-I100 HydrophobicContact CD2-CD1 3.69Å; L68-I100 HydrophobicContact CD2-CG1 4.17Å; H70-I100 HydrophobicContact CB-CB 4.31Å; H70-I100 HydrophobicContact CB-CG2 3.67Å; N73-I100 WeakPolarHBondContact CB-O 3.32Å; N73-I100 PolarHBondContact ND2-O 3.22Å; N73-I100 VanDerWaalsContact ND2-O 3.08Å; I100-I276 HydrophobicContact CG2-CG2 4.16Å; I100-H277 VanDerWaalsContact CA-O 3.32Å; I100-H277 WeakPolarHBondContact CA-O 3.49Å; I100-H277 WeakPolarHBondContact CG2-O 3.18Å; I100-T278 HydrophobicContact CD1-CG2 4.1Å; I100-T278 HydrophobicContact CG1-CG2 4.18Å; I100-F282 HydrophobicContact CD1-CB 4.33Å; I100-F282 HydrophobicContact CD1-CD2 4.21Å; I100-F282 HydrophobicContact CD1-CG 4.42Å; I100-F282 HydrophobicContact CG1-CD2 3.68Å; I100-F282 HydrophobicContact CG1-CE2 4.16Å; I100-F282 HydrophobicContact CG1-CG 4.37Å | ||
| 101 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 171.3 | -179.7 | 66 | -88.6 | 0 | 0 | 0 | 111.4 | N73 Y75 I95 W97 Q99 I103 I276 H277 | N73-F101 HydrophobicContact CB-CB 3.86Å; N73-F101 CarbonylContact O-C 3.48Å; N73-F101 WeakPolarHBondContact O-CA 3.48Å; N73-F101 WeakPolarHBondContact O-CB 3.32Å; Y75-F101 HydrophobicContact CD2-CB 4.25Å; Y75-F101 AromaticContact CD2-CD2 3.93Å; Y75-F101 HydrophobicContact CD2-CD2 3.93Å; Y75-F101 HydrophobicContact CD2-CG 4.42Å; Y75-F101 HydrophobicContact CE2-CB 3.86Å; Y75-F101 AromaticContact CE2-CD2 3.96Å; Y75-F101 HydrophobicContact CE2-CD2 3.96Å; Y75-F101 HydrophobicContact CE2-CG 4.08Å; I95-F101 HydrophobicContact CG2-CE1 3.79Å; I95-F101 HydrophobicContact CG2-CE2 3.87Å; I95-F101 HydrophobicContact CG2-CZ 3.42Å; I95-F101 VanDerWaalsContact CG2-CZ 3.42Å; W97-F101 HydrophobicContact CD2-CE1 4.35Å; W97-F101 HydrophobicContact CD2-CZ 4.24Å; W97-F101 AromaticContact CE3-CE1 3.84Å; W97-F101 HydrophobicContact CE3-CE1 3.84Å; W97-F101 AromaticContact CE3-CZ 3.71Å; W97-F101 HydrophobicContact CE3-CZ 3.71Å; W97-F101 HydrophobicContact CH2-CZ 4.07Å; W97-F101 HydrophobicContact CZ3-CE1 4.2Å; W97-F101 AromaticContact CZ3-CZ 3.65Å; W97-F101 HydrophobicContact CZ3-CZ 3.65Å; Q99-F101 HydrophobicContact CG-CB 4.27Å; Q99-F101 HydrophobicContact CG-CD1 4.1Å; Q99-F101 WeakPolarHBondContact O-CD1 3.08Å; F101-I103 HydrophobicContact CD2-CG1 4.15Å; F101-I103 HydrophobicContact CE2-CD1 3.99Å; F101-I103 HydrophobicContact CE2-CG1 3.87Å; F101-I276 WeakPolarHBondContact O-CA 3.35Å; F101-H277 HydrophobicContact CD1-CB 3.9Å; F101-H277 HydrophobicContact CD2-CB 4.08Å; F101-H277 AromaticContact CD2-ND1 3.81Å; F101-H277 HydrophobicContact CE1-CB 3.5Å; F101-H277 VanDerWaalsContact CE1-CB 3.5Å; F101-H277 HydrophobicContact CE2-CB 3.7Å; F101-H277 AromaticContact CE2-CE1 3.88Å; F101-H277 AromaticContact CE2-CG 3.47Å; F101-H277 VanDerWaalsContact CE2-CG 3.47Å; F101-H277 AromaticContact CE2-ND1 3.28Å; F101-H277 VanDerWaalsContact CE2-ND1 3.28Å; F101-H277 WeakPolarHBondContact CE2-ND1 3.28Å; F101-H277 HydrophobicContact CG-CB 4.17Å; F101-H277 HydrophobicContact CZ-CB 3.38Å; F101-H277 AromaticContact CZ-CD2 3.93Å; F101-H277 AromaticContact CZ-CG 3.43Å; F101-H277 VanDerWaalsContact CZ-CG 3.43Å; F101-H277 AromaticContact CZ-ND1 3.78Å; F101-H277 PolarHBondContact N-O 2.86Å; F101-H277 VanDerWaalsContact N-O 3.12Å; F101-H277 PolarHBondContact O-N 3.05Å |
| 102 | Q | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.7 | 172.4 | 63.9 | -178 | -43.4 | 0 | 0 | 112.1 | H70 Y71 N73 A74 Y75 V275 I276 | H70-Q102 VanDerWaalsContact O-CD 3.3Å; H70-Q102 VanDerWaalsContact O-CG 3.31Å; H70-Q102 WeakPolarHBondContact O-CG 3.31Å; H70-Q102 PolarHBondContact O-NE2 3.04Å; Y71-Q102 PolarHBondContact O-NE2 3.33Å; N73-Q102 PolarHBondContact O-N 2.99Å; A74-Q102 CarbonylContact C-O 3.48Å; A74-Q102 WeakPolarHBondContact CA-O 3.36Å; A74-Q102 HydrophobicContact CB-CG 3.57Å; Y75-Q102 PolarHBondContact N-O 3.06Å; Q102-V275 CarbonylContact C-O 3.57Å; Q102-V275 WeakPolarHBondContact CA-O 3.24Å; Q102-V275 WeakPolarHBondContact CB-O 3.41Å; Q102-I276 HydrophobicContact CB-CG1 4.45Å |
| 103 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134 | 167.8 | -64.5 | -177.4 | 0 | 0 | 0 | 108.6 | V77 L89 F101 I110 V275 | V77-I103 HydrophobicContact CB-CG2 4.41Å; V77-I103 HydrophobicContact CG1-CG2 3.71Å; V77-I103 HydrophobicContact CG2-CG2 3.73Å; L89-I103 HydrophobicContact CD1-CD1 4.44Å; L89-I103 HydrophobicContact CD2-CD1 4.03Å; L89-I103 HydrophobicContact CG-CD1 4.25Å; F101-I103 HydrophobicContact CD2-CG1 4.15Å; F101-I103 HydrophobicContact CE2-CD1 3.99Å; F101-I103 HydrophobicContact CE2-CG1 3.87Å; I103-I110 HydrophobicContact CG2-CG2 3.93Å; I103-V275 HydrophobicContact CB-CB 4.49Å; I103-V275 PolarHBondContact N-O 3.14Å; I103-V275 PolarHBondContact O-N 3.18Å |
| 104 | Q | 98.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.3 | 177.7 | -63.8 | -171.9 | 18.7 | 0 | 0 | 110.7 | K26 Y75 A76 V77 F272 F273 R274 | K26-Q104 HydrophobicContact CG-CB 4.23Å; Y75-Q104 PolarHBondContact O-N 3.37Å; A76-Q104 VanDerWaalsContact CA-O 3.26Å; A76-Q104 WeakPolarHBondContact CA-O 3.38Å; V77-Q104 PolarHBondContact N-O 2.94Å; Q104-F272 HydrophobicContact CB-CE2 3.87Å; Q104-F272 HydrophobicContact CB-CZ 4.14Å; Q104-F272 HydrophobicContact CG-CE2 4.19Å; Q104-F272 HydrophobicContact CG-CZ 3.93Å; Q104-F273 WeakPolarHBondContact CA-O 3.34Å; Q104-R274 HydrophobicContact CG-CG 4.33Å |
| 105 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 178.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I110 F273 | G105-I110 VanDerWaalsContact C-CD1 3.44Å; G105-I110 VanDerWaalsContact CA-CD1 3.42Å; G105-F273 PolarHBondContact N-O 3.27Å; G105-F273 VanDerWaalsContact N-O 3.13Å; G105-F273 PolarHBondContact O-N 3.01Å |
| 106 | L | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -112.9 | 7.6 | -168.5 | -79.9 | 63.1 | 0 | 0 | 0 | 113.7 | P22 L25 K26 M132 S271 F272 | P22-L106 WeakPolarHBondContact O-CD2 3.47Å; L25-L106 HydrophobicContact CB-CD2 4.02Å; K26-L106 HydrophobicContact CB-CD1 3.69Å; L106-M132 HydrophobicContact CD2-CG 3.88Å; L106-M132 HydrophobicContact CD2-SD 4.2Å; L106-M132 HydrophobicContact CG-CG 4.45Å; L106-M132 HydrophobicContact CG-SD 4.49Å; L106-S271 CarbonylContact C-O 3.58Å; L106-S271 VanDerWaalsContact CA-O 3.23Å; L106-S271 WeakPolarHBondContact CA-O 3.35Å; L106-F272 HydrophobicContact CD1-CD2 4.13Å |
| 107 | Q | 97.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 30.7 Ų | 30.7 | 13% | 0.126 | 16% | 0.157 | C | C | . | . | trans | -108.2 | 137.5 | -173.6 | -61.1 | 179.4 | -91.3 | 0 | 0 | 111.6 | E23 Y79 G109 I110 F273 | E23-Q107 HydrophobicContact CB-CG 3.85Å; E23-Q107 HydrophobicContact CG-CG 4Å; Y79-Q107 HydrophobicContact CE1-CB 3.68Å; Y79-Q107 HydrophobicContact CE1-CG 4.35Å; Y79-Q107 PolarHBondContact O-NE2 2.72Å; Y79-Q107 PolarHBondContact O-OE1 3.37Å; Q107-G109 VanDerWaalsContact C-N 3.31Å; Q107-G109 PolarHBondContact O-N 3.43Å; Q107-I110 HydrophobicContact CB-CD1 4.28Å; Q107-I110 HydrophobicContact CB-CG1 4.39Å; Q107-I110 WeakPolarHBondContact O-CB 3.05Å; Q107-I110 WeakPolarHBondContact O-CD1 3.49Å; Q107-I110 WeakPolarHBondContact O-CG1 3.42Å; Q107-I110 PolarHBondContact O-N 3.39Å; Q107-F273 VanDerWaalsContact O-CD2 3.32Å; Q107-F273 WeakPolarHBondContact O-CD2 2.98Å; Q107-F273 WeakPolarHBondContact O-CE2 3.37Å | ||
| 108 | E | 93.1 | Very high | 97 | Very high | 165 Ų | 165 | 29.6 Ų | 29.6 | 77% | 0.771 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.5 | -170.2 | -62.7 | -174.8 | 161 | 0 | 0 | 114 | I110 F273 | E108-I110 PolarHBondContact O-N 3.39Å; E108-I110 VanDerWaalsContact O-N 3.12Å; E108-F273 HydrophobicContact CG-CE2 4.34Å; E108-F273 HydrophobicContact CG-CZ 4.31Å |
| 109 | G | 95.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.1 | -10.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y79 Q107 C111 E112 V113 | Y79-G109 VanDerWaalsContact OH-CA 3.28Å; Y79-G109 WeakPolarHBondContact OH-CA 3.44Å; Y79-G109 PolarHBondContact OH-N 2.73Å; Q107-G109 VanDerWaalsContact C-N 3.31Å; Q107-G109 PolarHBondContact O-N 3.43Å; G109-C111 VanDerWaalsContact C-N 3.33Å; G109-C111 PolarHBondContact O-N 3.48Å; G109-E112 PolarHBondContact O-N 3.46Å; G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 VanDerWaalsContact O-CG2 3.3Å; G109-V113 WeakPolarHBondContact O-CG2 3.2Å; G109-V113 PolarHBondContact O-N 2.98Å |
| 110 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | -178.3 | -69.3 | 170.6 | 0 | 0 | 0 | 111.5 | V77 Y79 I103 G105 Q107 E108 S114 F273 V275 | V77-I110 HydrophobicContact CG2-CD1 3.58Å; V77-I110 HydrophobicContact CG2-CG1 3.89Å; Y79-I110 HydrophobicContact CE1-CG1 4.1Å; I103-I110 HydrophobicContact CG2-CG2 3.93Å; G105-I110 VanDerWaalsContact C-CD1 3.44Å; G105-I110 VanDerWaalsContact CA-CD1 3.42Å; Q107-I110 HydrophobicContact CB-CD1 4.28Å; Q107-I110 HydrophobicContact CB-CG1 4.39Å; Q107-I110 WeakPolarHBondContact O-CB 3.05Å; Q107-I110 WeakPolarHBondContact O-CD1 3.49Å; Q107-I110 WeakPolarHBondContact O-CG1 3.42Å; Q107-I110 PolarHBondContact O-N 3.39Å; E108-I110 PolarHBondContact O-N 3.39Å; E108-I110 VanDerWaalsContact O-N 3.12Å; I110-S114 WeakPolarHBondContact O-CB 3.31Å; I110-S114 PolarHBondContact O-N 3.22Å; I110-S114 PolarHBondContact O-OG 3.18Å; I110-F273 HydrophobicContact CG2-CB 4.45Å; I110-V275 HydrophobicContact CG2-CG2 3.88Å |
| 111 | C | 97.7 | Very high | 97 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 10% | 0.095 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | -177 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | G109 R115 T127 F273 | G109-C111 VanDerWaalsContact C-N 3.33Å; G109-C111 PolarHBondContact O-N 3.48Å; C111-R115 WeakPolarHBondContact O-CG 3.17Å; C111-R115 PolarHBondContact O-N 2.87Å; C111-R115 VanDerWaalsContact O-N 3.12Å; C111-T127 HydrophobicContact CB-CG2 4.06Å; C111-F273 VanDerWaalsContact SG-CD1 3.51Å |
| 112 | E | 97.5 | Very high | 96.9 | Very high | 137 Ų | 137 | 48.3 Ų | 48.3 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.7 | -54.6 | -179.3 | -174.4 | -178.7 | 169.3 | 0 | 0 | 111.1 | G109 S114 R115 T116 | G109-E112 PolarHBondContact O-N 3.46Å; E112-S114 PolarHBondContact O-N 3.46Å; E112-R115 PolarHBondContact O-N 3.33Å; E112-T116 PolarHBondContact O-N 2.89Å; E112-T116 PolarHBondContact O-OG1 3.02Å; E112-T116 VanDerWaalsContact O-OG1 3.1Å |
| 113 | V | 98.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 111 | V82 Y85 K86 L89 G109 R115 T116 V117 | V82-V113 HydrophobicContact CG2-CG2 3.59Å; Y85-V113 HydrophobicContact CD1-CB 4.15Å; Y85-V113 HydrophobicContact CD1-CG1 3.83Å; Y85-V113 HydrophobicContact CD1-CG2 4.19Å; Y85-V113 HydrophobicContact CE1-CB 3.83Å; Y85-V113 HydrophobicContact CE1-CG1 3.69Å; Y85-V113 HydrophobicContact CE1-CG2 4.3Å; K86-V113 HydrophobicContact CB-CG1 3.73Å; K86-V113 HydrophobicContact CG-CG1 4.03Å; L89-V113 HydrophobicContact CD2-CG1 3.92Å; G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 VanDerWaalsContact O-CG2 3.3Å; G109-V113 WeakPolarHBondContact O-CG2 3.2Å; G109-V113 PolarHBondContact O-N 2.98Å; V113-R115 PolarHBondContact O-N 3.31Å; V113-T116 PolarHBondContact O-N 3.28Å; V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.2Å; V113-V117 PolarHBondContact O-N 2.91Å |
| 114 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.2 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | I110 E112 A118 H277 | I110-S114 WeakPolarHBondContact O-CB 3.31Å; I110-S114 PolarHBondContact O-N 3.22Å; I110-S114 PolarHBondContact O-OG 3.18Å; E112-S114 PolarHBondContact O-N 3.46Å; S114-A118 WeakPolarHBondContact O-CB 3.42Å; S114-A118 PolarHBondContact O-N 2.6Å; S114-A118 VanDerWaalsContact O-N 3.09Å; S114-H277 WeakPolarHBondContact CB-NE2 3.48Å |
| 115 | R | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 177.8 | -69.5 | -178.3 | -163.5 | 117.6 | -2.9 | 110.9 | C111 E112 V113 V117 A118 L119 V125 T127 | C111-R115 WeakPolarHBondContact O-CG 3.17Å; C111-R115 PolarHBondContact O-N 2.87Å; C111-R115 VanDerWaalsContact O-N 3.12Å; E112-R115 PolarHBondContact O-N 3.33Å; V113-R115 PolarHBondContact O-N 3.31Å; R115-V117 PolarHBondContact O-N 2.91Å; R115-A118 PolarHBondContact O-N 3.31Å; R115-L119 WeakPolarHBondContact O-CG 3.11Å; R115-L119 PolarHBondContact O-N 2.77Å; R115-V125 HydrophobicContact CG-CB 4.19Å; R115-V125 HydrophobicContact CG-CG1 3.94Å; R115-T127 PolarHBondContact NH2-OG1 3.29Å |
| 116 | T | 97.5 | Very high | 96.8 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | E112 V113 | E112-T116 PolarHBondContact O-N 2.89Å; E112-T116 PolarHBondContact O-OG1 3.02Å; E112-T116 VanDerWaalsContact O-OG1 3.1Å; V113-T116 PolarHBondContact O-N 3.28Å |
| 117 | V | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -40.7 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | K86 L89 E90 W97 V113 R115 L119 S120 K121 | K86-V117 HydrophobicContact CG-CG2 3.93Å; L89-V117 HydrophobicContact CB-CG1 4.47Å; L89-V117 HydrophobicContact CB-CG2 4.24Å; E90-V117 HydrophobicContact CG-CB 4.49Å; E90-V117 HydrophobicContact CG-CG1 3.84Å; E90-V117 HydrophobicContact CG-CG2 3.82Å; W97-V117 HydrophobicContact CH2-CB 4.26Å; W97-V117 HydrophobicContact CH2-CG1 3.86Å; W97-V117 HydrophobicContact CZ2-CB 4.24Å; W97-V117 HydrophobicContact CZ2-CG1 3.42Å; W97-V117 VanDerWaalsContact CZ2-CG1 3.42Å; V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.2Å; V113-V117 PolarHBondContact O-N 2.91Å; R115-V117 PolarHBondContact O-N 2.91Å; V117-L119 VanDerWaalsContact C-N 3.29Å; V117-L119 PolarHBondContact O-N 3.38Å; V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 PolarHBondContact O-OG 3.05Å; V117-K121 WeakPolarHBondContact O-CG 3.28Å |
| 118 | A | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -30.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | W97 S114 R115 S120 K121 Q122 V123 V125 | W97-A118 HydrophobicContact CH2-CB 4.48Å; W97-A118 HydrophobicContact CZ3-CB 4.1Å; S114-A118 WeakPolarHBondContact O-CB 3.42Å; S114-A118 PolarHBondContact O-N 2.6Å; S114-A118 VanDerWaalsContact O-N 3.09Å; R115-A118 PolarHBondContact O-N 3.31Å; A118-S120 VanDerWaalsContact C-N 3.32Å; A118-S120 PolarHBondContact O-N 2.88Å; A118-K121 CarbonylContact O-C 3.59Å; A118-K121 PolarHBondContact O-N 3.17Å; A118-Q122 PolarHBondContact O-N 3.15Å; A118-Q122 VanDerWaalsContact O-N 3.16Å; A118-V123 HydrophobicContact CB-CB 4.12Å; A118-V123 HydrophobicContact CB-CG1 4.23Å; A118-V123 PolarHBondContact O-N 3.08Å; A118-V125 HydrophobicContact CB-CG2 3.32Å |
| 119 | L | 94.9 | Very high | 96.9 | Very high | 147 Ų | 147 | 56.9 Ų | 56.9 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54 | -47.9 | 175.7 | -73.3 | 171.2 | 0 | 0 | 0 | 111.8 | R115 V117 K121 | R115-L119 WeakPolarHBondContact O-CG 3.11Å; R115-L119 PolarHBondContact O-N 2.77Å; V117-L119 VanDerWaalsContact C-N 3.29Å; V117-L119 PolarHBondContact O-N 3.38Å; L119-K121 PolarHBondContact O-N 3.15Å |
| 120 | S | 94.4 | Very high | 96.9 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.6 | -16.7 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | V117 A118 | V117-S120 PolarHBondContact O-N 3.23Å; V117-S120 PolarHBondContact O-OG 3.05Å; A118-S120 VanDerWaalsContact C-N 3.32Å; A118-S120 PolarHBondContact O-N 2.88Å |
| 121 | K | 95.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -103.2 | 0.4 | -174.5 | -56.2 | -60.1 | -175.8 | -174.6 | 0 | 113.3 | W97 V117 A118 L119 V123 | W97-K121 HydrophobicContact CD2-CB 4.15Å; W97-K121 HydrophobicContact CD2-CG 3.82Å; W97-K121 HydrophobicContact CE3-CB 4.06Å; W97-K121 HydrophobicContact CE3-CG 4.12Å; W97-K121 HydrophobicContact CG-CB 4.37Å; W97-K121 HydrophobicContact CG-CD 4.3Å; W97-K121 HydrophobicContact CG-CG 4.04Å; V117-K121 WeakPolarHBondContact O-CG 3.28Å; A118-K121 CarbonylContact O-C 3.59Å; A118-K121 PolarHBondContact O-N 3.17Å; L119-K121 PolarHBondContact O-N 3.15Å; K121-V123 HydrophobicContact CB-CG2 4.05Å; K121-V123 WeakPolarHBondContact O-CG2 3.49Å |
| 122 | Q | 95.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 59.6 Ų | 59.6 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 52.1 | -175.7 | -59.1 | -179.3 | 36.1 | 0 | 0 | 111.9 | A118 L280 | A118-Q122 PolarHBondContact O-N 3.15Å; A118-Q122 VanDerWaalsContact O-N 3.16Å; Q122-L280 HydrophobicContact CB-CD1 4.09Å; Q122-L280 VanDerWaalsContact O-CG 3.26Å; Q122-L280 WeakPolarHBondContact O-CG 3.49Å; Q122-L280 PolarHBondContact O-N 2.72Å |
| 123 | V | 97.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.3 | -176.6 | 166.9 | 0 | 0 | 0 | 0 | 108.9 | W97 A118 K121 H277 P279 | W97-V123 HydrophobicContact CE3-CB 4.28Å; W97-V123 HydrophobicContact CE3-CG1 4.21Å; W97-V123 HydrophobicContact CE3-CG2 3.93Å; W97-V123 HydrophobicContact CZ3-CB 4.38Å; W97-V123 HydrophobicContact CZ3-CG1 4.1Å; A118-V123 HydrophobicContact CB-CB 4.12Å; A118-V123 HydrophobicContact CB-CG1 4.23Å; A118-V123 PolarHBondContact O-N 3.08Å; K121-V123 HydrophobicContact CB-CG2 4.05Å; K121-V123 WeakPolarHBondContact O-CG2 3.49Å; V123-H277 HydrophobicContact CG1-CB 3.77Å; V123-P279 HydrophobicContact CG2-CB 4.35Å; V123-P279 HydrophobicContact CG2-CG 4.24Å |
| 124 | D | 97.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 147.8 | 171.3 | 178.5 | 59.2 | 0 | 0 | 0 | 111 | H277 T278 L280 L283 | D124-H277 WeakPolarHBondContact O-CA 3.49Å; D124-T278 PolarHBondContact N-O 3.35Å; D124-T278 PolarHBondContact O-N 2.96Å; D124-L280 HydrophobicContact CB-CD2 4.03Å; D124-L283 HydrophobicContact CB-CD1 3.67Å |
| 125 | V | 97.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 112 | -174.2 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | R115 A118 T127 V275 I276 | R115-V125 HydrophobicContact CG-CB 4.19Å; R115-V125 HydrophobicContact CG-CG1 3.94Å; A118-V125 HydrophobicContact CB-CG2 3.32Å; V125-T127 HydrophobicContact CG1-CG2 4.08Å; V125-V275 HydrophobicContact CG1-CG1 3.32Å; V125-I276 WeakPolarHBondContact CA-O 3.35Å |
| 126 | K | 97.8 | Very high | 95.8 | Very high | 133 Ų | 133 | 51.4 Ų | 51.4 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.8 | 172.6 | -175 | 174 | -176.7 | 171.9 | 0 | 110.8 | V275 I276 | K126-V275 CarbonylContact O-C 3.55Å; K126-V275 WeakPolarHBondContact O-CA 3.29Å; K126-I276 HydrophobicContact CB-CB 4.39Å; K126-I276 PolarHBondContact N-O 3.01Å; K126-I276 PolarHBondContact O-N 3.28Å |
| 127 | T | 97.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.5 | -179.6 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | C111 R115 V125 V275 | C111-T127 HydrophobicContact CB-CG2 4.06Å; R115-T127 PolarHBondContact NH2-OG1 3.29Å; V125-T127 HydrophobicContact CG1-CG2 4.08Å; T127-V275 HydrophobicContact CG2-CG1 4.08Å; T127-V275 HydrophobicContact CG2-CG2 4.19Å |
| 128 | S | 96 | Very high | 94.7 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 141.7 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | F130 R274 | S128-F130 VanDerWaalsContact CB-CE2 3.49Å; S128-R274 PolarHBondContact N-O 3.02Å; S128-R274 PolarHBondContact O-N 3.06Å |
| 129 | S | 96.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 43% | 0.427 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.7 | 178.6 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | S271 F272 | S129-S271 WeakPolarHBondContact OG-CB 3.02Å; S129-F272 CarbonylContact C-O 3.58Å; S129-F272 WeakPolarHBondContact CA-O 3.42Å |
| 130 | F | 96.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151.5 | -177.4 | -54 | -98.7 | 0 | 0 | 0 | 109.3 | S128 M132 N248 V249 M250 F272 R274 | S128-F130 VanDerWaalsContact CB-CE2 3.49Å; F130-M132 PolarHBondContact O-N 3.49Å; F130-N248 HydrophobicContact CB-CB 3.96Å; F130-V249 WeakPolarHBondContact CB-O 3.45Å; F130-M250 HydrophobicContact CD1-CB 3.86Å; F130-M250 HydrophobicContact CD1-CG 4.5Å; F130-M250 HydrophobicContact CE1-CB 4.06Å; F130-M250 HydrophobicContact CE1-CG 4.48Å; F130-F272 HydrophobicContact CB-CB 4.38Å; F130-F272 HydrophobicContact CB-CD1 3.98Å; F130-F272 AromaticContact CD2-CD1 3.51Å; F130-F272 HydrophobicContact CD2-CD1 3.51Å; F130-F272 AromaticContact CD2-CE1 3.86Å; F130-F272 HydrophobicContact CD2-CE1 3.86Å; F130-F272 HydrophobicContact CE2-CD1 4.37Å; F130-F272 HydrophobicContact CE2-CE1 4.3Å; F130-F272 HydrophobicContact CG-CD1 4.03Å; F130-F272 PolarHBondContact N-O 3.02Å; F130-F272 PolarHBondContact O-N 3.33Å; F130-R274 HydrophobicContact CE2-CB 4.42Å |
| 131 | Q | 97.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.3 | 170.6 | -73.2 | 179.6 | -18.6 | 0 | 0 | 109.7 | N248 V249 E251 F267 | Q131-N248 CarbonylContact O-C 3.55Å; Q131-N248 VanDerWaalsContact O-CA 3.22Å; Q131-N248 WeakPolarHBondContact O-CA 3.47Å; Q131-V249 HydrophobicContact CB-CG1 4.1Å; Q131-V249 PolarHBondContact N-O 3.13Å; Q131-V249 PolarHBondContact O-N 3.08Å; Q131-E251 HydrophobicContact CG-CG 3.73Å; Q131-E251 WeakPolarHBondContact CG-OE1 3.35Å; Q131-E251 PolarHBondContact NE2-OE1 3.49Å; Q131-F267 HydrophobicContact CB-CD1 4.32Å |
| 132 | M | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.7 | 176.2 | -170.9 | 66.9 | -159.3 | 0 | 0 | 109.9 | L25 L106 F130 Q246 G247 N248 L268 F272 | L25-M132 HydrophobicContact CD2-CE 3.56Å; L25-M132 HydrophobicContact CG-CE 4.42Å; L106-M132 HydrophobicContact CD2-CG 3.88Å; L106-M132 HydrophobicContact CD2-SD 4.2Å; L106-M132 HydrophobicContact CG-CG 4.45Å; L106-M132 HydrophobicContact CG-SD 4.49Å; F130-M132 PolarHBondContact O-N 3.49Å; M132-Q246 HydrophobicContact CE-CB 3.69Å; M132-Q246 HydrophobicContact CE-CG 4.2Å; M132-G247 VanDerWaalsContact CE-O 3.29Å; M132-G247 WeakPolarHBondContact CE-O 3.46Å; M132-N248 HydrophobicContact SD-CB 4.39Å; M132-L268 HydrophobicContact CB-CB 4.19Å; M132-L268 HydrophobicContact CB-CD1 4.25Å; M132-L268 HydrophobicContact CG-CB 4.44Å; M132-L268 HydrophobicContact CG-CD1 3.58Å; M132-L268 HydrophobicContact CG-CG 4.38Å; M132-L268 PolarHBondContact O-N 2.97Å; M132-F272 HydrophobicContact SD-CB 4.16Å |
| 133 | V | 96.9 | Very high | 92 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.3 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | Q246 G247 V249 L260 A265 Q266 F267 | V133-Q246 WeakPolarHBondContact O-CA 3.47Å; V133-G247 WeakPolarHBondContact CG2-O 3.38Å; V133-G247 PolarHBondContact N-O 3Å; V133-G247 PolarHBondContact O-N 2.86Å; V133-V249 HydrophobicContact CG1-CG1 4.35Å; V133-L260 HydrophobicContact CG1-CD1 4.16Å; V133-L260 HydrophobicContact CG2-CD1 4.01Å; V133-L260 HydrophobicContact CG2-CD2 4Å; V133-A265 HydrophobicContact CB-CB 4.38Å; V133-Q266 VanDerWaalsContact CA-O 3.28Å; V133-Q266 WeakPolarHBondContact CA-O 3.39Å; V133-F267 HydrophobicContact CG1-CD1 3.58Å; V133-F267 HydrophobicContact CG1-CD2 4.29Å; V133-F267 HydrophobicContact CG1-CE1 3.64Å; V133-F267 HydrophobicContact CG1-CE2 4.33Å; V133-F267 HydrophobicContact CG1-CG 3.92Å; V133-F267 HydrophobicContact CG1-CZ 4.02Å |
| 134 | I | 96.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.9 | 174.3 | -169.6 | 168.6 | 0 | 0 | 0 | 110.3 | L25 S136 P244 A245 Q246 Q266 L268 | L25-I134 HydrophobicContact CD1-CD1 4.41Å; L25-I134 HydrophobicContact CD2-CD1 4.17Å; I134-S136 WeakPolarHBondContact CG2-OG 3.32Å; I134-P244 HydrophobicContact CD1-CB 3.99Å; I134-A245 CarbonylContact C-O 3.54Å; I134-A245 WeakPolarHBondContact CA-O 3.27Å; I134-Q246 HydrophobicContact CB-CB 4.49Å; I134-Q246 HydrophobicContact CG1-CB 4.29Å; I134-Q266 HydrophobicContact CG2-CB 4.05Å; I134-Q266 PolarHBondContact N-O 3.06Å; I134-Q266 WeakPolarHBondContact O-CB 3.48Å; I134-Q266 PolarHBondContact O-N 2.95Å; I134-L268 HydrophobicContact CB-CD1 4.41Å; I134-L268 HydrophobicContact CG2-CD1 4.08Å; I134-L268 HydrophobicContact CG2-CD2 3.71Å; I134-L268 HydrophobicContact CG2-CG 4.01Å |
| 135 | H | 93.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 98.8 | 160.4 | -59.4 | -82 | 0 | 0 | 0 | 106.3 | L141 H239 A245 M263 A265 | H135-L141 HydrophobicContact CB-CD2 3.86Å; H135-L141 WeakPolarHBondContact ND1-CD2 3.13Å; H135-H239 PolarHBondContact O-CE1 3.21Å; H135-H239 PolarHBondContact O-NE2 2.66Å; H135-A245 HydrophobicContact CB-CB 3.99Å; H135-A245 PolarHBondContact N-O 2.84Å; H135-M263 PolarHBondContact CE1-O 3.36Å; H135-M263 VanDerWaalsContact CE1-O 3.3Å; H135-M263 PolarHBondContact ND1-O 2.97Å; H135-A265 VanDerWaalsContact CE1-CA 3.49Å; H135-A265 WeakPolarHBondContact CE1-CA 3.34Å; H135-A265 WeakPolarHBondContact CE1-CB 3.32Å |
| 136 | S | 82.5 | Confident | 88 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | trans | -78.4 | -32.7 | -172.8 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | I134 Q266 | I134-S136 WeakPolarHBondContact CG2-OG 3.32Å; S136-Q266 PolarHBondContact OG-OE1 2.89Å | ||
| 137 | D | 85.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 64.2 Ų | 64.2 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | trans | -120.5 | 116.8 | -174.5 | -179 | -3.1 | 0 | 0 | 0 | 110.5 | D139 T140 | D137-D139 PolarHBondContact O-N 2.78Å; D137-D139 WeakPolarHBondContact OD1-CB 3.4Å; D137-D139 PolarHBondContact OD1-N 2.88Å; D137-T140 HydrophobicContact CB-CG2 3.76Å; D137-T140 PolarHBondContact O-N 2.9Å; D137-T140 PolarHBondContact O-OG1 3.46Å | ||
| 138 | P | 86.2 | Confident | 86.3 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -60.6 | -24.9 | 177.6 | 25.6 | -33.8 | 0 | 0 | 0 | 113.7 | T140 L141 H239 | P138-T140 VanDerWaalsContact C-N 3.29Å; P138-L141 WeakPolarHBondContact O-CB 3.36Å; P138-L141 PolarHBondContact O-N 3.27Å; P138-H239 HydrophobicContact CB-CB 3.96Å; P138-H239 HydrophobicContact CG-CB 4.38Å |
| 139 | D | 86.6 | Confident | 85.9 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 78% | 0.781 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -76.4 | -21.3 | -178.9 | -64.6 | -25.2 | 0 | 0 | 0 | 111.9 | D137 L141 | D137-D139 PolarHBondContact O-N 2.78Å; D137-D139 WeakPolarHBondContact OD1-CB 3.4Å; D137-D139 PolarHBondContact OD1-N 2.88Å; D139-L141 VanDerWaalsContact C-N 3.31Å |
| 140 | T | 86.7 | Confident | 85.5 | Confident | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -80.8 | -12.8 | 174 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | D137 P138 N264 | D137-T140 HydrophobicContact CB-CG2 3.76Å; D137-T140 PolarHBondContact O-N 2.9Å; D137-T140 PolarHBondContact O-OG1 3.46Å; P138-T140 VanDerWaalsContact C-N 3.29Å; T140-N264 PolarHBondContact O-ND2 2.85Å |
| 141 | L | 87.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.5 | 134.3 | 177.2 | -70.8 | 172.7 | 0 | 0 | 0 | 109.4 | H135 P138 D139 D143 T232 A235 K236 | H135-L141 HydrophobicContact CB-CD2 3.86Å; H135-L141 WeakPolarHBondContact ND1-CD2 3.13Å; P138-L141 WeakPolarHBondContact O-CB 3.36Å; P138-L141 PolarHBondContact O-N 3.27Å; D139-L141 VanDerWaalsContact C-N 3.31Å; L141-D143 PolarHBondContact O-N 2.98Å; L141-T232 HydrophobicContact CB-CG2 4.21Å; L141-A235 HydrophobicContact CD1-CB 3.79Å; L141-A235 HydrophobicContact CD2-CB 4.03Å; L141-K236 HydrophobicContact CD1-CG 3.68Å |
| 142 | P | 83.1 | Confident | 85.2 | Confident | 15 Ų | 15 | 73 Ų | 73 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.4 | -176.2 | 24.9 | -34.3 | 0 | 0 | 0 | 111.2 | V144 R228 T232 M263 | P142-V144 PolarHBondContact O-N 2.97Å; P142-R228 VanDerWaalsContact CB-NH2 3.27Å; P142-T232 HydrophobicContact CG-CG2 4.19Å; P142-M263 HydrophobicContact CG-CB 4.44Å; P142-M263 HydrophobicContact CG-CG 4.29Å |
| 143 | D | 77.1 | Confident | 85.1 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 129.4 | 165.5 | -169.7 | 10.1 | 0 | 0 | 0 | 108.3 | L141 R145 | L141-D143 PolarHBondContact O-N 2.98Å; D143-R145 PolarHBondContact O-N 3.34Å; D143-R145 WeakPolarHBondContact OD2-CG 3.4Å; D143-R145 IonicContact OD2-CZ 2.69Å; D143-R145 IonicContact OD2-NE 3.4Å; D143-R145 PolarHBondContact OD2-NE 3.17Å; D143-R145 IonicContact OD2-NH2 2.71Å |
| 144 | V | 69.9 | Low | 85.1 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | trans | -100.9 | 70.8 | -177.4 | -163 | 0 | 0 | 0 | 0 | 108.5 | P142 F146 L229 T232 | P142-V144 PolarHBondContact O-N 2.97Å; V144-F146 HydrophobicContact CG1-CB 3.82Å; V144-F146 PolarHBondContact O-N 3.43Å; V144-L229 HydrophobicContact CB-CD1 4.11Å; V144-L229 HydrophobicContact CG1-CB 3.9Å; V144-L229 HydrophobicContact CG1-CD1 3.4Å; V144-L229 HydrophobicContact CG1-CG 4.19Å; V144-T232 HydrophobicContact CG2-CG2 3.39Å | ||
| 145 | R | 66.6 | Low | 85.2 | Confident | 222 Ų | 222 | 80.2 Ų | 80.2 | 84% | 0.838 | 41% | 0.409 | S | S | * | . | trans | -77 | 71.1 | 167.2 | -61.2 | -171.1 | -172.5 | -165.5 | 0.3 | 109.1 | D143 | D143-R145 PolarHBondContact O-N 3.34Å; D143-R145 WeakPolarHBondContact OD2-CG 3.4Å; D143-R145 IonicContact OD2-CZ 2.69Å; D143-R145 IonicContact OD2-NE 3.4Å; D143-R145 PolarHBondContact OD2-NE 3.17Å; D143-R145 IonicContact OD2-NH2 2.71Å | ||
| 146 | F | 70.8 | Confident | 85.4 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | trans | -101 | 112.5 | 178.5 | -172 | -98.8 | 0 | 0 | 0 | 109.2 | V144 M148 K224 Y226 L229 | V144-F146 HydrophobicContact CG1-CB 3.82Å; V144-F146 PolarHBondContact O-N 3.43Å; F146-M148 VanDerWaalsContact C-N 3.31Å; F146-M148 HydrophobicContact CD1-CB 3.9Å; F146-M148 HydrophobicContact CD1-CE 4.41Å; F146-M148 HydrophobicContact CD1-CG 4.45Å; F146-M148 HydrophobicContact CE1-CB 3.99Å; F146-M148 HydrophobicContact CE1-CG 4.16Å; F146-M148 PolarHBondContact O-N 2.9Å; F146-K224 WeakPolarHBondContact CE2-O 3.21Å; F146-K224 WeakPolarHBondContact CZ-O 3.38Å; F146-Y226 AromaticContact CE1-CD1 3.84Å; F146-Y226 HydrophobicContact CE1-CD1 3.84Å; F146-Y226 AromaticContact CE1-CE1 3.7Å; F146-Y226 HydrophobicContact CE1-CE1 3.7Å; F146-Y226 AromaticContact CZ-CD1 3.7Å; F146-Y226 HydrophobicContact CZ-CD1 3.7Å; F146-Y226 AromaticContact CZ-CE1 3.57Å; F146-Y226 HydrophobicContact CZ-CE1 3.57Å; F146-L229 HydrophobicContact CB-CD2 4.33Å; F146-L229 HydrophobicContact CD1-CD2 3.72Å; F146-L229 HydrophobicContact CE1-CD2 4.41Å; F146-L229 HydrophobicContact CG-CD2 4.21Å | ||
| 147 | R | 78.4 | Confident | 86.2 | Confident | 245 Ų | 245 | 83.8 Ų | 83.8 | 93% | 0.925 | 41% | 0.413 | S | S | * | . | trans | -76.6 | 89 | 172.4 | -163.1 | 178.3 | -171.1 | -174.4 | 2.7 | 108.2 | ||||
| 148 | M | 82.3 | Confident | 86.8 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 19% | 0.192 | 42% | 0.418 | C | S | . | . | trans | -68.3 | 142.1 | 177.2 | -165.9 | 176.6 | -64 | 0 | 0 | 109.9 | F146 L152 L154 I193 L229 | F146-M148 VanDerWaalsContact C-N 3.31Å; F146-M148 HydrophobicContact CD1-CB 3.9Å; F146-M148 HydrophobicContact CD1-CE 4.41Å; F146-M148 HydrophobicContact CD1-CG 4.45Å; F146-M148 HydrophobicContact CE1-CB 3.99Å; F146-M148 HydrophobicContact CE1-CG 4.16Å; F146-M148 PolarHBondContact O-N 2.9Å; M148-L152 HydrophobicContact CG-CB 3.71Å; M148-L152 HydrophobicContact CG-CD1 4.29Å; M148-L152 HydrophobicContact SD-CB 3.59Å; M148-L152 VanDerWaalsContact SD-CB 3.59Å; M148-L152 VanDerWaalsContact SD-O 3.4Å; M148-L154 HydrophobicContact CE-CB 4.19Å; M148-L154 HydrophobicContact CE-CD1 4.49Å; M148-I193 HydrophobicContact CE-CD1 4.16Å; M148-I193 HydrophobicContact CE-CG1 4.07Å; M148-I193 HydrophobicContact SD-CG2 4.37Å; M148-L229 HydrophobicContact CE-CD2 3.13Å; M148-L229 HydrophobicContact CE-CG 4.5Å | ||
| 149 | D | 87 | Confident | 87.3 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | trans | -54.1 | 127.7 | 166.8 | -177.3 | -31.4 | 0 | 0 | 0 | 108.3 | K151 L152 | D149-K151 PolarHBondContact O-N 3.09Å; D149-K151 WeakPolarHBondContact OD1-CB 3.4Å; D149-K151 PolarHBondContact OD1-N 3.5Å; D149-L152 HydrophobicContact CB-CD1 4.05Å; D149-L152 HydrophobicContact CB-CG 4.06Å; D149-L152 PolarHBondContact O-N 3.24Å | ||
| 150 | P | 87.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 83.7 Ų | 83.7 | 83% | 0.831 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -20.1 | -179.9 | -26.7 | 34.7 | 0 | 0 | 0 | 115 | L152 | P150-L152 VanDerWaalsContact C-N 3.29Š|
| 151 | K | 92.3 | Very high | 88.4 | Confident | 141 Ų | 141 | 82 Ų | 82 | 61% | 0.613 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.2 | 175.6 | -63.4 | -177.1 | 179.3 | -176.1 | 0 | 113.8 | D149 D196 | D149-K151 PolarHBondContact O-N 3.09Å; D149-K151 WeakPolarHBondContact OD1-CB 3.4Å; D149-K151 PolarHBondContact OD1-N 3.5Å; K151-D196 PolarHBondContact O-N 2.79Å |
| 152 | L | 95.8 | Very high | 89 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | trans | -100.9 | 144.4 | 179.7 | -57.6 | 178.8 | 0 | 0 | 0 | 110.1 | M148 D149 P150 I193 L194 D195 L201 Y226 | M148-L152 HydrophobicContact CG-CB 3.71Å; M148-L152 HydrophobicContact CG-CD1 4.29Å; M148-L152 HydrophobicContact SD-CB 3.59Å; M148-L152 VanDerWaalsContact SD-CB 3.59Å; M148-L152 VanDerWaalsContact SD-O 3.4Å; D149-L152 HydrophobicContact CB-CD1 4.05Å; D149-L152 HydrophobicContact CB-CG 4.06Å; D149-L152 PolarHBondContact O-N 3.24Å; P150-L152 VanDerWaalsContact C-N 3.29Å; L152-I193 HydrophobicContact CB-CG2 4.07Å; L152-I193 HydrophobicContact CD1-CG2 4.32Å; L152-L194 VanDerWaalsContact CA-O 3.29Å; L152-L194 WeakPolarHBondContact CA-O 3.37Å; L152-D195 HydrophobicContact CD2-CB 4.33Å; L152-L201 HydrophobicContact CD2-CD1 3.61Å; L152-Y226 HydrophobicContact CD1-CE1 3.89Å; L152-Y226 HydrophobicContact CD1-CE2 4.41Å; L152-Y226 WeakPolarHBondContact CD1-OH 3.46Å | ||
| 153 | T | 95.9 | Very high | 89.7 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.6 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | A155 I193 L194 | T153-A155 HydrophobicContact CG2-CB 4.45Å; T153-I193 CarbonylContact O-C 3.57Å; T153-I193 WeakPolarHBondContact O-CA 3.29Å; T153-L194 PolarHBondContact N-O 3.12Å; T153-L194 PolarHBondContact O-N 2.88Å |
| 154 | L | 96.3 | Very high | 90.7 | Very high | 70 Ų | 70 | 80.5 Ų | 80.5 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.2 | 167.5 | -168.5 | 70.8 | 0 | 0 | 0 | 108.9 | M148 V191 I193 L229 T233 | M148-L154 HydrophobicContact CE-CB 4.19Å; M148-L154 HydrophobicContact CE-CD1 4.49Å; L154-V191 HydrophobicContact CD1-CG1 3.67Å; L154-V191 HydrophobicContact CG-CG1 4.28Å; L154-I193 HydrophobicContact CD1-CG1 3.87Å; L154-L229 HydrophobicContact CD1-CD2 4.24Å; L154-L229 HydrophobicContact CD1-CG 4.13Å; L154-L229 HydrophobicContact CD2-CD1 4.29Å; L154-T233 HydrophobicContact CD2-CG2 4.07Å |
| 155 | A | 97.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 78.7 Ų | 78.7 | 21% | 0.207 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | -168.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112 | T153 V191 C192 L194 | T153-A155 HydrophobicContact CG2-CB 4.45Å; A155-V191 WeakPolarHBondContact O-CA 3.35Å; A155-C192 PolarHBondContact N-O 2.79Å; A155-C192 PolarHBondContact O-N 3.09Å; A155-L194 HydrophobicContact CB-CD1 3.68Å; A155-L194 HydrophobicContact CB-CG 4.02Å |
| 156 | Y | 98.1 | Very high | 93.6 | Very high | 138 Ų | 138 | 68.6 Ų | 68.6 | 54% | 0.541 | 35% | 0.351 | S | S | . | . | trans | -104.8 | 151.3 | 171.1 | -60.5 | -58.5 | 0 | 0 | 0 | 110.2 | S190 C192 K237 | Y156-S190 WeakPolarHBondContact CD1-O 3.36Å; Y156-S190 WeakPolarHBondContact CE1-O 3.19Å; Y156-C192 PolarHBondContact O-SG 2.88Å; Y156-C192 VanDerWaalsContact O-SG 3.35Å; Y156-K237 HydrophobicContact CE1-CD 4.06Å; Y156-K237 PolarHBondContact OH-NZ 3.17Å | ||
| 157 | L | 98.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | trans | -63.9 | 142.5 | 170.1 | -70.8 | 170.4 | 0 | 0 | 0 | 109.6 | H161 L165 I185 S190 C192 P200 W203 L205 | L157-H161 HydrophobicContact CD2-CB 4.1Å; L157-L165 HydrophobicContact CD1-CD2 3.72Å; L157-L165 HydrophobicContact CD2-CD1 4.06Å; L157-I185 HydrophobicContact CB-CD1 4.26Å; L157-I185 HydrophobicContact CB-CG1 3.95Å; L157-I185 HydrophobicContact CB-CG2 3.9Å; L157-I185 HydrophobicContact CD1-CD1 4.41Å; L157-I185 HydrophobicContact CD1-CG1 4.07Å; L157-I185 VanDerWaalsContact O-CG2 3.31Å; L157-I185 WeakPolarHBondContact O-CG2 3.47Å; L157-S190 PolarHBondContact N-OG 3.27Å; L157-C192 HydrophobicContact CD2-CB 3.79Å; L157-C192 HydrophobicContact CG-CB 4.11Å; L157-P200 HydrophobicContact CD2-CB 4.31Å; L157-W203 HydrophobicContact CD1-CB 4.18Å; L157-W203 HydrophobicContact CD1-CG 4.49Å; L157-W203 HydrophobicContact CD2-CB 3.87Å; L157-W203 HydrophobicContact CD2-CG 4.27Å; L157-W203 HydrophobicContact CG-CB 4.26Å; L157-L205 HydrophobicContact CD1-CB 4.27Å; L157-L205 HydrophobicContact CD1-CD1 4.43Å | ||
| 158 | D | 98.2 | Very high | 95.8 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | trans | -105.7 | 155.8 | 169.6 | -179.7 | -101.6 | 0 | 0 | 0 | 109.9 | S160 H161 | D158-S160 PolarHBondContact O-N 2.96Å; D158-S160 WeakPolarHBondContact OD1-CB 3.12Å; D158-S160 PolarHBondContact OD1-N 2.81Å; D158-S160 PolarHBondContact OD1-OG 2.86Å; D158-H161 PolarHBondContact N-CE1 3.3Å; D158-H161 PolarHBondContact N-ND1 2.82Å; D158-H161 VanDerWaalsContact O-CB 3.25Å; D158-H161 WeakPolarHBondContact O-CB 3.39Å; D158-H161 PolarHBondContact O-N 3.4Å | ||
| 159 | I | 98 | Very high | 96.4 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -58.9 | -31.7 | -179.1 | -65.7 | 172.7 | 0 | 0 | 0 | 111.3 | H161 A162 A182 I185 C186 | I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.12Å; I159-A162 WeakPolarHBondContact O-CB 3.36Å; I159-A162 PolarHBondContact O-N 3.36Å; I159-A182 HydrophobicContact CG2-CB 3.94Å; I159-I185 HydrophobicContact CG1-CG2 4.29Å; I159-C186 HydrophobicContact CD1-CB 3.99Å; I159-C186 HydrophobicContact CG1-CB 4.4Å |
| 160 | S | 97.8 | Very high | 96.7 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -59.5 | -20.9 | 174.4 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | D158 A162 | D158-S160 PolarHBondContact O-N 2.96Å; D158-S160 WeakPolarHBondContact OD1-CB 3.12Å; D158-S160 PolarHBondContact OD1-N 2.81Å; D158-S160 PolarHBondContact OD1-OG 2.86Å; S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 2.81Å |
| 161 | H | 98.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.106 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -78.9 | -10 | 176.6 | -54.3 | 154.9 | 0 | 0 | 0 | 113.6 | L157 D158 I159 S163 L164 L165 G198 P200 | L157-H161 HydrophobicContact CD2-CB 4.1Å; D158-H161 PolarHBondContact N-CE1 3.3Å; D158-H161 PolarHBondContact N-ND1 2.82Å; D158-H161 VanDerWaalsContact O-CB 3.25Å; D158-H161 WeakPolarHBondContact O-CB 3.39Å; D158-H161 PolarHBondContact O-N 3.4Å; I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.12Å; H161-S163 VanDerWaalsContact C-N 3.29Å; H161-S163 PolarHBondContact O-N 3.28Å; H161-L164 PolarHBondContact O-N 3.29Å; H161-L165 HydrophobicContact CB-CD1 4.24Å; H161-L165 VanDerWaalsContact O-CD1 3.31Å; H161-L165 WeakPolarHBondContact O-CD1 3.42Å; H161-L165 PolarHBondContact O-N 3.19Å; H161-G198 PolarHBondContact NE2-O 3.43Å; H161-P200 HydrophobicContact CB-CG 4.05Å |
| 162 | A | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -32.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I159 S160 L165 N166 Q178 L181 A182 I185 | I159-A162 WeakPolarHBondContact O-CB 3.36Å; I159-A162 PolarHBondContact O-N 3.36Å; S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 2.81Å; A162-L165 PolarHBondContact O-N 3.3Å; A162-N166 WeakPolarHBondContact O-CB 3.49Å; A162-N166 PolarHBondContact O-N 2.85Å; A162-Q178 HydrophobicContact CB-CG 4.29Å; A162-L181 HydrophobicContact CB-CB 4.47Å; A162-A182 HydrophobicContact CB-CB 4.04Å; A162-I185 HydrophobicContact CB-CD1 4.2Å |
| 163 | S | 98.3 | Very high | 97 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 176.7 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | H161 L165 N166 E167 | H161-S163 VanDerWaalsContact C-N 3.29Å; H161-S163 PolarHBondContact O-N 3.28Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.95Å; S163-N166 WeakPolarHBondContact O-CB 3.48Å; S163-N166 PolarHBondContact O-N 2.91Å; S163-N166 VanDerWaalsContact O-N 3.08Å; S163-E167 WeakPolarHBondContact O-CG 3.25Å; S163-E167 PolarHBondContact O-N 3.36Å; S163-E167 PolarHBondContact OG-OE1 3.04Å |
| 164 | L | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178 | 179.5 | 69.5 | 0 | 0 | 0 | 111 | H161 N166 E167 T168 P200 W203 L218 | H161-L164 PolarHBondContact O-N 3.29Å; L164-N166 VanDerWaalsContact C-N 3.29Å; L164-N166 PolarHBondContact O-N 3.35Å; L164-E167 PolarHBondContact O-N 2.8Å; L164-T168 HydrophobicContact CD1-CG2 4.17Å; L164-T168 WeakPolarHBondContact O-CB 3.49Å; L164-T168 WeakPolarHBondContact O-CG2 3.47Å; L164-T168 PolarHBondContact O-N 2.93Å; L164-T168 PolarHBondContact O-OG1 3Å; L164-P200 HydrophobicContact CD2-CG 3.77Å; L164-W203 HydrophobicContact CD2-CH2 3.86Å; L164-W203 HydrophobicContact CD2-CZ3 3.88Å; L164-W203 HydrophobicContact CG-CH2 4.13Å; L164-L218 HydrophobicContact CD1-CD2 4.47Å |
| 165 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.2 | -87.1 | 71.9 | 0 | 0 | 0 | 110.5 | L157 H161 A162 S163 E167 T168 W169 L181 I185 W203 L205 H214 | L157-L165 HydrophobicContact CD1-CD2 3.72Å; L157-L165 HydrophobicContact CD2-CD1 4.06Å; H161-L165 HydrophobicContact CB-CD1 4.24Å; H161-L165 VanDerWaalsContact O-CD1 3.31Å; H161-L165 WeakPolarHBondContact O-CD1 3.42Å; H161-L165 PolarHBondContact O-N 3.19Å; A162-L165 PolarHBondContact O-N 3.3Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.95Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 2.7Å; L165-T168 PolarHBondContact O-N 3.25Å; L165-T168 PolarHBondContact O-OG1 2.99Å; L165-W169 WeakPolarHBondContact O-CB 3.44Å; L165-W169 PolarHBondContact O-N 3.13Å; L165-L181 HydrophobicContact CB-CD1 3.77Å; L165-L181 HydrophobicContact CB-CD2 4.39Å; L165-L181 HydrophobicContact CD2-CD2 4.3Å; L165-I185 HydrophobicContact CD2-CD1 4.26Å; L165-W203 HydrophobicContact CD1-CD2 4.12Å; L165-W203 HydrophobicContact CD1-CG 4.3Å; L165-W203 HydrophobicContact CD1-CZ2 4.3Å; L165-W203 HydrophobicContact CG-CZ2 4.37Å; L165-L205 HydrophobicContact CD2-CD2 4.34Å; L165-H214 PolarHBondContact O-CE1 2.82Å |
| 166 | N | 98.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.053 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -41 | 177.6 | -176.2 | 42.7 | 0 | 0 | 0 | 112 | A162 S163 L164 G172 G173 N174 C177 Q178 L181 | A162-N166 WeakPolarHBondContact O-CB 3.49Å; A162-N166 PolarHBondContact O-N 2.85Å; S163-N166 WeakPolarHBondContact O-CB 3.48Å; S163-N166 PolarHBondContact O-N 2.91Å; S163-N166 VanDerWaalsContact O-N 3.08Å; L164-N166 VanDerWaalsContact C-N 3.29Å; L164-N166 PolarHBondContact O-N 3.35Å; N166-G172 CarbonylContact O-C 3.52Å; N166-G172 VanDerWaalsContact O-CA 3.28Å; N166-G172 WeakPolarHBondContact O-CA 3.32Å; N166-G172 WeakPolarHBondContact OD1-CA 3.23Å; N166-G173 PolarHBondContact O-N 3.12Å; N166-G173 PolarHBondContact OD1-N 3.04Å; N166-N174 PolarHBondContact ND2-N 3.45Å; N166-N174 PolarHBondContact ND2-O 3.32Å; N166-N174 VanDerWaalsContact ND2-O 3.16Å; N166-N174 PolarHBondContact OD1-N 2.93Å; N166-N174 PolarHBondContact OD1-O 3.17Å; N166-C177 WeakPolarHBondContact OD1-CB 3.39Å; N166-C177 PolarHBondContact OD1-SG 3.31Å; N166-Q178 HydrophobicContact CB-CB 3.93Å; N166-Q178 HydrophobicContact CB-CG 4.4Å; N166-L181 HydrophobicContact CB-CD1 4.03Å |
| 167 | E | 98.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 62% | 0.621 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.5 | -32.9 | 179.7 | -70.4 | 161.7 | -149.1 | 0 | 0 | 113.2 | S163 L164 L165 | S163-E167 WeakPolarHBondContact O-CG 3.25Å; S163-E167 PolarHBondContact O-N 3.36Å; S163-E167 PolarHBondContact OG-OE1 3.04Å; L164-E167 PolarHBondContact O-N 2.8Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 2.7Å |
| 168 | T | 97.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 55 Ų | 55 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -94.3 | -15.3 | -173 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | L164 L165 W203 Y216 L218 | L164-T168 HydrophobicContact CD1-CG2 4.17Å; L164-T168 WeakPolarHBondContact O-CB 3.49Å; L164-T168 WeakPolarHBondContact O-CG2 3.47Å; L164-T168 PolarHBondContact O-N 2.93Å; L164-T168 PolarHBondContact O-OG1 3Å; L165-T168 PolarHBondContact O-N 3.25Å; L165-T168 PolarHBondContact O-OG1 2.99Å; T168-W203 HydrophobicContact CG2-CH2 4.38Å; T168-W203 HydrophobicContact CG2-CZ2 4.5Å; T168-W203 VanDerWaalsContact OG1-CZ2 3.32Å; T168-W203 WeakPolarHBondContact OG1-CZ2 3.32Å; T168-Y216 HydrophobicContact CG2-CE1 4.05Å; T168-L218 HydrophobicContact CG2-CD2 4.37Å |
| 169 | W | 96.1 | Very high | 96.8 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -77.7 | 134.7 | 180 | -156.6 | 19.3 | 0 | 0 | 0 | 111.4 | Y71 L165 R171 G172 C177 Y180 L181 I213 H214 | Y71-W169 HydrophobicContact CD1-CZ3 4.27Å; Y71-W169 HydrophobicContact CE1-CZ3 4.23Å; L165-W169 WeakPolarHBondContact O-CB 3.44Å; L165-W169 PolarHBondContact O-N 3.13Å; W169-R171 HydrophobicContact CD2-CB 4.34Å; W169-R171 PolarHBondContact O-N 3.42Å; W169-G172 PolarHBondContact O-N 3.34Å; W169-C177 VanDerWaalsContact CE3-SG 3.52Å; W169-Y180 HydrophobicContact CH2-CD1 4.49Å; W169-Y180 HydrophobicContact CH2-CE1 4.04Å; W169-Y180 HydrophobicContact CZ3-CD1 4.15Å; W169-Y180 HydrophobicContact CZ3-CE1 4.16Å; W169-L181 HydrophobicContact CE3-CD1 4.19Å; W169-L181 HydrophobicContact CE3-CD2 4.02Å; W169-L181 HydrophobicContact CE3-CG 4.31Å; W169-L181 HydrophobicContact CZ3-CD2 4.02Å; W169-L181 HydrophobicContact CZ3-CG 4.35Å; W169-I213 HydrophobicContact CH2-CD1 4.16Å; W169-I213 HydrophobicContact CZ2-CD1 4.12Å; W169-H214 VanDerWaalsContact CB-CE1 3.49Å; W169-H214 WeakPolarHBondContact CB-CE1 3.37Å; W169-H214 AromaticContact CD1-CD2 3.43Å; W169-H214 VanDerWaalsContact CD1-CD2 3.43Å; W169-H214 AromaticContact CD1-CG 3.63Å; W169-H214 AromaticContact CD1-NE2 3.74Å; W169-H214 AromaticContact CG-CD2 3.87Å; W169-H214 AromaticContact CG-CE1 3.74Å; W169-H214 AromaticContact CG-CG 3.89Å; W169-H214 AromaticContact CG-ND1 3.8Å; W169-H214 AromaticContact CG-NE2 3.78Å; W169-H214 AromaticContact NE1-CG 3.85Å |
| 170 | S | 92 | Very high | 96.8 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 80% | 0.797 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.2 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 171 | R | 90.8 | Very high | 96.8 | Very high | 62 Ų | 62 | 48 Ų | 48 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 9.3 | 177 | -57.1 | 177.8 | -178.7 | 177.9 | 3.5 | 112 | Y71 W169 | Y71-R171 HydrophobicContact CE1-CB 4.49Å; Y71-R171 PolarHBondContact OH-O 3.1Å; W169-R171 HydrophobicContact CD2-CB 4.34Å; W169-R171 PolarHBondContact O-N 3.42Å |
| 172 | G | 95.1 | Very high | 96.8 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | trans | -93.8 | -144.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N166 W169 N174 C177 | N166-G172 CarbonylContact O-C 3.52Å; N166-G172 VanDerWaalsContact O-CA 3.28Å; N166-G172 WeakPolarHBondContact O-CA 3.32Å; N166-G172 WeakPolarHBondContact OD1-CA 3.23Å; W169-G172 PolarHBondContact O-N 3.34Å; G172-N174 PolarHBondContact O-ND2 3.04Å; G172-C177 WeakPolarHBondContact CA-SG 3.31Å | ||
| 173 | G | 96.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 50 Ų | 50 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 77 | 18.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N166 | N166-G173 PolarHBondContact O-N 3.12Å; N166-G173 PolarHBondContact OD1-N 3.04Å |
| 174 | N | 96 | Very high | 96.8 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -143.5 | 157.6 | 177.7 | 68.5 | 80.8 | 0 | 0 | 0 | 112.8 | Y71 N166 G172 R176 C177 Q178 | Y71-N174 PolarHBondContact OH-ND2 2.69Å; N166-N174 PolarHBondContact ND2-N 3.45Å; N166-N174 PolarHBondContact ND2-O 3.32Å; N166-N174 VanDerWaalsContact ND2-O 3.16Å; N166-N174 PolarHBondContact OD1-N 2.93Å; N166-N174 PolarHBondContact OD1-O 3.17Å; G172-N174 PolarHBondContact O-ND2 3.04Å; N174-R176 VanDerWaalsContact C-N 3.33Å; N174-R176 PolarHBondContact O-N 2.85Å; N174-R176 WeakPolarHBondContact OD1-CB 3.35Å; N174-R176 PolarHBondContact OD1-N 2.96Å; N174-C177 PolarHBondContact O-N 3.26Å; N174-C177 PolarHBondContact OD1-N 3.4Å; N174-Q178 PolarHBondContact O-N 3.01Å; N174-Q178 VanDerWaalsContact O-N 3.16Å |
| 175 | P | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 71% | 0.708 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | -176 | -26.8 | 35.8 | 0 | 0 | 0 | 114.5 | Q178 Q179 | P175-Q178 PolarHBondContact O-N 2.59Å; P175-Q179 PolarHBondContact O-N 2.9Å |
| 176 | R | 95.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 179.3 | -61 | -177 | -174.7 | 96.3 | 7.4 | 111.1 | D66 Y71 N174 Q179 Y180 L288 | D66-R176 IonicContact OD1-NE 3.06Å; D66-R176 WeakPolarHBondContact OD2-CD 3.4Å; D66-R176 IonicContact OD2-CZ 2.72Å; D66-R176 IonicContact OD2-NE 2.82Å; D66-R176 PolarHBondContact OD2-NE 3.12Å; Y71-R176 HydrophobicContact CD2-CB 4.24Å; Y71-R176 HydrophobicContact CE2-CB 4.26Å; N174-R176 VanDerWaalsContact C-N 3.33Å; N174-R176 PolarHBondContact O-N 2.85Å; N174-R176 WeakPolarHBondContact OD1-CB 3.35Å; N174-R176 PolarHBondContact OD1-N 2.96Å; R176-Q179 PolarHBondContact O-N 3.19Å; R176-Y180 VanDerWaalsContact O-CB 3.32Å; R176-Y180 WeakPolarHBondContact O-CB 3.47Å; R176-Y180 PolarHBondContact O-N 3.36Å; R176-L288 VanDerWaalsContact CZ-O 3.27Å; R176-L288 PolarHBondContact NH1-O 3.19Å; R176-L288 PolarHBondContact NH2-O 3.17Å |
| 177 | C | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | Y71 N166 W169 G172 N174 Q179 Y180 L181 | Y71-C177 HydrophobicContact CD2-CB 4.49Å; Y71-C177 HydrophobicContact CE1-CB 3.99Å; Y71-C177 HydrophobicContact CE2-CB 3.81Å; N166-C177 WeakPolarHBondContact OD1-CB 3.39Å; N166-C177 PolarHBondContact OD1-SG 3.31Å; W169-C177 VanDerWaalsContact CE3-SG 3.52Å; G172-C177 WeakPolarHBondContact CA-SG 3.31Å; N174-C177 PolarHBondContact O-N 3.26Å; N174-C177 PolarHBondContact OD1-N 3.4Å; C177-Q179 PolarHBondContact O-N 3.49Å; C177-Y180 PolarHBondContact O-N 2.92Å; C177-L181 WeakPolarHBondContact O-CB 3.29Å; C177-L181 VanDerWaalsContact O-CG 3.28Å; C177-L181 WeakPolarHBondContact O-CG 3.31Å; C177-L181 PolarHBondContact O-N 3.5Å |
| 178 | Q | 98.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.7 | -176 | 174.1 | -30.9 | 0 | 0 | 111.9 | A162 N166 N174 P175 L181 A182 | A162-Q178 HydrophobicContact CB-CG 4.29Å; N166-Q178 HydrophobicContact CB-CB 3.93Å; N166-Q178 HydrophobicContact CB-CG 4.4Å; N174-Q178 PolarHBondContact O-N 3.01Å; N174-Q178 VanDerWaalsContact O-N 3.16Å; P175-Q178 PolarHBondContact O-N 2.59Å; Q178-L181 PolarHBondContact O-N 2.89Å; Q178-A182 WeakPolarHBondContact O-CB 3.5Å; Q178-A182 PolarHBondContact O-N 3.48Å |
| 179 | Q | 97.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.5 | -176 | 60.8 | 55.9 | 0 | 0 | 111.7 | P175 R176 C177 A182 N183 | P175-Q179 PolarHBondContact O-N 2.9Å; R176-Q179 PolarHBondContact O-N 3.19Å; C177-Q179 PolarHBondContact O-N 3.49Å; Q179-A182 PolarHBondContact O-N 2.97Å; Q179-N183 PolarHBondContact NE2-OD1 3.01Å; Q179-N183 VanDerWaalsContact O-CG 3.22Å; Q179-N183 PolarHBondContact O-N 2.87Å; Q179-N183 PolarHBondContact O-ND2 2.84Å; Q179-N183 PolarHBondContact O-OD1 2.73Å |
| 180 | Y | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.8 | 174.2 | -106.4 | 0 | 0 | 0 | 111.5 | F40 Y71 W169 R176 C177 A182 N183 L184 Q208 | F40-Y180 HydrophobicContact CE1-CD2 4.09Å; F40-Y180 AromaticContact CE1-CE2 3.83Å; F40-Y180 HydrophobicContact CE1-CE2 3.83Å; F40-Y180 HydrophobicContact CZ-CD2 4.48Å; F40-Y180 HydrophobicContact CZ-CE2 4.31Å; Y71-Y180 VanDerWaalsContact CB-CG 3.42Å; Y71-Y180 HydrophobicContact CD1-CD1 4.04Å; Y71-Y180 HydrophobicContact CD1-CE1 4.43Å; Y71-Y180 HydrophobicContact CD1-CG 4.47Å; Y71-Y180 HydrophobicContact CG-CD1 4.16Å; Y71-Y180 HydrophobicContact CG-CG 4.12Å; W169-Y180 HydrophobicContact CH2-CD1 4.49Å; W169-Y180 HydrophobicContact CH2-CE1 4.04Å; W169-Y180 HydrophobicContact CZ3-CD1 4.15Å; W169-Y180 HydrophobicContact CZ3-CE1 4.16Å; R176-Y180 VanDerWaalsContact O-CB 3.32Å; R176-Y180 WeakPolarHBondContact O-CB 3.47Å; R176-Y180 PolarHBondContact O-N 3.36Å; C177-Y180 PolarHBondContact O-N 2.92Å; Y180-A182 PolarHBondContact O-N 3.38Å; Y180-N183 WeakPolarHBondContact O-CB 3.29Å; Y180-N183 PolarHBondContact O-N 3.29Å; Y180-L184 HydrophobicContact CD1-CD1 4.08Å; Y180-L184 HydrophobicContact CD1-CG 4.34Å; Y180-L184 HydrophobicContact CE1-CD1 3.42Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.42Å; Y180-L184 HydrophobicContact CE1-CD2 4.44Å; Y180-L184 HydrophobicContact CE1-CG 3.96Å; Y180-L184 HydrophobicContact CE2-CD1 4.44Å; Y180-L184 HydrophobicContact CE2-CD2 4.02Å; Y180-L184 HydrophobicContact CE2-CG 4.21Å; Y180-L184 WeakPolarHBondContact O-CG 3.28Å; Y180-L184 PolarHBondContact O-N 3.35Å; Y180-Q208 PolarHBondContact OH-NE2 2.84Å |
| 181 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.4 | -72.5 | 165.2 | 0 | 0 | 0 | 112.2 | A162 L165 N166 W169 C177 Q178 N183 L184 I185 | A162-L181 HydrophobicContact CB-CB 4.47Å; L165-L181 HydrophobicContact CB-CD1 3.77Å; L165-L181 HydrophobicContact CB-CD2 4.39Å; L165-L181 HydrophobicContact CD2-CD2 4.3Å; N166-L181 HydrophobicContact CB-CD1 4.03Å; W169-L181 HydrophobicContact CE3-CD1 4.19Å; W169-L181 HydrophobicContact CE3-CD2 4.02Å; W169-L181 HydrophobicContact CE3-CG 4.31Å; W169-L181 HydrophobicContact CZ3-CD2 4.02Å; W169-L181 HydrophobicContact CZ3-CG 4.35Å; C177-L181 WeakPolarHBondContact O-CB 3.29Å; C177-L181 VanDerWaalsContact O-CG 3.28Å; C177-L181 WeakPolarHBondContact O-CG 3.31Å; C177-L181 PolarHBondContact O-N 3.5Å; Q178-L181 PolarHBondContact O-N 2.89Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 2.91Å; L181-L184 PolarHBondContact O-N 3.01Å; L181-I185 WeakPolarHBondContact O-CD1 3.42Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 2.86Å |
| 182 | A | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 36 Ų | 36 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I159 A162 Q178 Q179 Y180 I185 C186 | I159-A182 HydrophobicContact CG2-CB 3.94Å; A162-A182 HydrophobicContact CB-CB 4.04Å; Q178-A182 WeakPolarHBondContact O-CB 3.5Å; Q178-A182 PolarHBondContact O-N 3.48Å; Q179-A182 PolarHBondContact O-N 2.97Å; Y180-A182 PolarHBondContact O-N 3.38Å; A182-I185 PolarHBondContact O-N 3.33Å; A182-C186 WeakPolarHBondContact O-CB 3.32Å; A182-C186 PolarHBondContact O-N 2.97Å |
| 183 | N | 97.6 | Very high | 97.6 | Very high | 58 Ų | 58 | 35 Ų | 35 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.8 | -66.4 | -15.5 | 0 | 0 | 0 | 111.6 | F40 Q179 Y180 L181 C186 C187 | F40-N183 HydrophobicContact CE2-CB 4.12Å; F40-N183 HydrophobicContact CZ-CB 3.67Å; Q179-N183 PolarHBondContact NE2-OD1 3.01Å; Q179-N183 VanDerWaalsContact O-CG 3.22Å; Q179-N183 PolarHBondContact O-N 2.87Å; Q179-N183 PolarHBondContact O-ND2 2.84Å; Q179-N183 PolarHBondContact O-OD1 2.73Å; Y180-N183 WeakPolarHBondContact O-CB 3.29Å; Y180-N183 PolarHBondContact O-N 3.29Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 2.91Å; N183-C186 PolarHBondContact O-N 3Å; N183-C187 WeakPolarHBondContact O-CB 3.49Å; N183-C187 PolarHBondContact O-N 3.37Å; N183-C187 PolarHBondContact O-SG 3.08Å |
| 184 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.5 | -66.9 | -170.5 | 0 | 0 | 0 | 112.2 | F40 Y180 L181 C186 C187 F188 L205 D207 I213 | F40-L184 HydrophobicContact CE1-CD2 4.18Å; F40-L184 HydrophobicContact CE2-CD2 3.89Å; F40-L184 HydrophobicContact CZ-CD2 3.47Å; F40-L184 VanDerWaalsContact CZ-CD2 3.47Å; F40-L184 HydrophobicContact CZ-CG 4.29Å; Y180-L184 HydrophobicContact CD1-CD1 4.08Å; Y180-L184 HydrophobicContact CD1-CG 4.34Å; Y180-L184 HydrophobicContact CE1-CD1 3.42Å; Y180-L184 VanDerWaalsContact CE1-CD1 3.42Å; Y180-L184 HydrophobicContact CE1-CD2 4.44Å; Y180-L184 HydrophobicContact CE1-CG 3.96Å; Y180-L184 HydrophobicContact CE2-CD1 4.44Å; Y180-L184 HydrophobicContact CE2-CD2 4.02Å; Y180-L184 HydrophobicContact CE2-CG 4.21Å; Y180-L184 WeakPolarHBondContact O-CG 3.28Å; Y180-L184 PolarHBondContact O-N 3.35Å; L181-L184 PolarHBondContact O-N 3.01Å; L184-C186 VanDerWaalsContact C-N 3.3Å; L184-C186 PolarHBondContact O-N 3.03Å; L184-C187 PolarHBondContact O-N 2.93Å; L184-F188 HydrophobicContact CB-CD2 4.39Å; L184-F188 HydrophobicContact CD2-CD2 3.56Å; L184-F188 HydrophobicContact CD2-CE2 3.61Å; L184-F188 WeakPolarHBondContact O-CB 3.43Å; L184-F188 PolarHBondContact O-N 2.85Å; L184-L205 HydrophobicContact CB-CD1 3.75Å; L184-L205 HydrophobicContact CD1-CD1 4.2Å; L184-D207 HydrophobicContact CD1-CB 4.3Å; L184-D207 HydrophobicContact CD2-CB 4.46Å; L184-I213 HydrophobicContact CD1-CD1 3.62Å |
| 185 | I | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.4 | -70.5 | 161.6 | 0 | 0 | 0 | 110.8 | L157 I159 A162 L165 L181 A182 L205 | L157-I185 HydrophobicContact CB-CD1 4.26Å; L157-I185 HydrophobicContact CB-CG1 3.95Å; L157-I185 HydrophobicContact CB-CG2 3.9Å; L157-I185 HydrophobicContact CD1-CD1 4.41Å; L157-I185 HydrophobicContact CD1-CG1 4.07Å; L157-I185 VanDerWaalsContact O-CG2 3.31Å; L157-I185 WeakPolarHBondContact O-CG2 3.47Å; I159-I185 HydrophobicContact CG1-CG2 4.29Å; A162-I185 HydrophobicContact CB-CD1 4.2Å; L165-I185 HydrophobicContact CD2-CD1 4.26Å; L181-I185 WeakPolarHBondContact O-CD1 3.42Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 2.86Å; A182-I185 PolarHBondContact O-N 3.33Å; I185-L205 HydrophobicContact CG1-CD1 4.04Å |
| 186 | C | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 60% | 0.595 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -65.8 | -39.2 | 178.7 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | I159 A182 N183 L184 | I159-C186 HydrophobicContact CD1-CB 3.99Å; I159-C186 HydrophobicContact CG1-CB 4.4Å; A182-C186 WeakPolarHBondContact O-CB 3.32Å; A182-C186 PolarHBondContact O-N 2.97Å; N183-C186 PolarHBondContact O-N 3Å; L184-C186 VanDerWaalsContact C-N 3.3Å; L184-C186 PolarHBondContact O-N 3.03Å |
| 187 | C | 96.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 35% | 0.345 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -98.9 | -24.8 | -167.7 | -63.8 | 0 | 0 | 0 | 0 | 115.1 | P39 F40 N183 L184 | P39-C187 HydrophobicContact CB-CB 3.69Å; P39-C187 HydrophobicContact CG-CB 4.08Å; F40-C187 HydrophobicContact CD2-CB 4.43Å; F40-C187 HydrophobicContact CE2-CB 4.15Å; N183-C187 WeakPolarHBondContact O-CB 3.49Å; N183-C187 PolarHBondContact O-N 3.37Å; N183-C187 PolarHBondContact O-SG 3.08Å; L184-C187 PolarHBondContact O-N 2.93Å |
| 188 | F | 97.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -128.4 | 156.5 | -166 | -60.2 | -58.7 | 0 | 0 | 0 | 113.7 | N33 P39 F40 L184 S190 T206 Q208 | N33-F188 HydrophobicContact CB-CE1 4.28Å; P39-F188 HydrophobicContact CG-CD1 4.43Å; P39-F188 HydrophobicContact CG-CE1 3.51Å; P39-F188 HydrophobicContact CG-CZ 3.71Å; F40-F188 HydrophobicContact CD2-CD2 4.45Å; F40-F188 AromaticContact CD2-CE2 3.3Å; F40-F188 HydrophobicContact CD2-CE2 3.3Å; F40-F188 AromaticContact CD2-CZ 3.45Å; F40-F188 HydrophobicContact CD2-CZ 3.45Å; F40-F188 VanDerWaalsContact CD2-CZ 3.45Å; F40-F188 HydrophobicContact CE2-CD2 4.09Å; F40-F188 AromaticContact CE2-CE2 3.26Å; F40-F188 HydrophobicContact CE2-CE2 3.26Å; F40-F188 AromaticContact CE2-CZ 3.92Å; F40-F188 HydrophobicContact CE2-CZ 3.92Å; F40-F188 HydrophobicContact CG-CE2 4.19Å; F40-F188 HydrophobicContact CG-CZ 4.21Å; F40-F188 HydrophobicContact CZ-CE2 4.1Å; L184-F188 HydrophobicContact CB-CD2 4.39Å; L184-F188 HydrophobicContact CD2-CD2 3.56Å; L184-F188 HydrophobicContact CD2-CE2 3.61Å; L184-F188 WeakPolarHBondContact O-CB 3.43Å; L184-F188 PolarHBondContact O-N 2.85Å; F188-S190 PolarHBondContact O-N 2.87Å; F188-T206 WeakPolarHBondContact CB-O 3.22Å; F188-T206 WeakPolarHBondContact CB-OG1 3.39Å; F188-Q208 HydrophobicContact CE2-CB 4.14Å; F188-Q208 HydrophobicContact CZ-CB 4.21Å |
| 189 | P | 97.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | trans | -50.9 | 130.3 | 172.1 | -27.4 | 33.1 | 0 | 0 | 0 | 113.1 | L205 T206 L234 K237 M238 | P189-L205 CarbonylContact O-C 3.46Å; P189-L205 WeakPolarHBondContact O-CA 3.49Å; P189-T206 WeakPolarHBondContact CD-OG1 3.47Å; P189-T206 PolarHBondContact O-N 2.9Å; P189-T206 PolarHBondContact O-OG1 2.97Å; P189-T206 VanDerWaalsContact O-OG1 3.06Å; P189-L234 HydrophobicContact CB-CD1 3.83Å; P189-K237 HydrophobicContact CB-CD 4.27Å; P189-M238 HydrophobicContact CB-SD 4.21Å; P189-M238 HydrophobicContact CG-SD 3.96Å | ||
| 190 | S | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 169.5 | 164.4 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | Y156 L157 F188 S204 | Y156-S190 WeakPolarHBondContact CD1-O 3.36Å; Y156-S190 WeakPolarHBondContact CE1-O 3.19Å; L157-S190 PolarHBondContact N-OG 3.27Å; F188-S190 PolarHBondContact O-N 2.87Å; S190-S204 CarbonylContact C-O 3.47Å; S190-S204 WeakPolarHBondContact CA-O 3.43Å |
| 191 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 139.2 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 107 | L154 A155 W203 S204 V230 T233 L234 | L154-V191 HydrophobicContact CD1-CG1 3.67Å; L154-V191 HydrophobicContact CG-CG1 4.28Å; A155-V191 WeakPolarHBondContact O-CA 3.35Å; V191-W203 CarbonylContact O-C 3.39Å; V191-W203 VanDerWaalsContact O-CA 3.24Å; V191-W203 WeakPolarHBondContact O-CA 3.24Å; V191-S204 PolarHBondContact N-O 2.87Å; V191-S204 PolarHBondContact O-N 3.19Å; V191-V230 HydrophobicContact CB-CG1 4.15Å; V191-V230 HydrophobicContact CG1-CB 4.4Å; V191-V230 HydrophobicContact CG1-CG1 4.17Å; V191-V230 HydrophobicContact CG1-CG2 4.33Å; V191-V230 WeakPolarHBondContact O-CG1 3.46Å; V191-T233 HydrophobicContact CG1-CG2 4.12Å; V191-T233 HydrophobicContact CG2-CG2 3.92Å; V191-L234 HydrophobicContact CB-CB 4.31Å; V191-L234 HydrophobicContact CG2-CB 3.84Å; V191-L234 HydrophobicContact CG2-CD1 4.23Å |
| 192 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.1 | 171.6 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | A155 Y156 L157 L194 P200 S202 W203 | A155-C192 PolarHBondContact N-O 2.79Å; A155-C192 PolarHBondContact O-N 3.09Å; Y156-C192 PolarHBondContact O-SG 2.88Å; Y156-C192 VanDerWaalsContact O-SG 3.35Å; L157-C192 HydrophobicContact CD2-CB 3.79Å; L157-C192 HydrophobicContact CG-CB 4.11Å; C192-L194 VanDerWaalsContact SG-CD2 3.55Å; C192-P200 HydrophobicContact CB-CB 4.31Å; C192-S202 CarbonylContact C-O 3.53Å; C192-S202 WeakPolarHBondContact CA-O 3.46Å; C192-S202 WeakPolarHBondContact CB-O 3.45Å; C192-W203 HydrophobicContact CB-CB 3.8Å |
| 193 | I | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.7 | 166.8 | -66.3 | 164.4 | 0 | 0 | 0 | 107.2 | M148 L152 T153 L154 P200 L201 S202 Y226 L229 V230 | M148-I193 HydrophobicContact CE-CD1 4.16Å; M148-I193 HydrophobicContact CE-CG1 4.07Å; M148-I193 HydrophobicContact SD-CG2 4.37Å; L152-I193 HydrophobicContact CB-CG2 4.07Å; L152-I193 HydrophobicContact CD1-CG2 4.32Å; T153-I193 CarbonylContact O-C 3.57Å; T153-I193 WeakPolarHBondContact O-CA 3.29Å; L154-I193 HydrophobicContact CD1-CG1 3.87Å; I193-P200 CarbonylContact O-C 3.49Å; I193-P200 WeakPolarHBondContact O-CA 3.49Å; I193-L201 PolarHBondContact O-N 3.32Å; I193-S202 PolarHBondContact N-O 2.74Å; I193-Y226 HydrophobicContact CD1-CD1 3.74Å; I193-Y226 HydrophobicContact CD1-CG 3.82Å; I193-L229 HydrophobicContact CD1-CD2 4.08Å; I193-V230 HydrophobicContact CD1-CG2 3.74Å; I193-V230 HydrophobicContact CG1-CG2 3.82Å |
| 194 | L | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148.5 | 178.6 | -56.1 | -179.1 | 0 | 0 | 0 | 110.8 | L152 T153 A155 C192 R199 P200 | L152-L194 VanDerWaalsContact CA-O 3.29Å; L152-L194 WeakPolarHBondContact CA-O 3.37Å; T153-L194 PolarHBondContact N-O 3.12Å; T153-L194 PolarHBondContact O-N 2.88Å; A155-L194 HydrophobicContact CB-CD1 3.68Å; A155-L194 HydrophobicContact CB-CG 4.02Å; C192-L194 VanDerWaalsContact SG-CD2 3.55Å; L194-R199 WeakPolarHBondContact CA-O 3.39Å; L194-P200 HydrophobicContact CD2-CB 3.79Å |
| 195 | D | 96.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | trans | -78.5 | -179.3 | 162.8 | 71.5 | 5.6 | 0 | 0 | 0 | 112.4 | L152 K197 G198 R199 L201 | L152-D195 HydrophobicContact CD2-CB 4.33Å; D195-K197 PolarHBondContact O-N 2.9Å; D195-K197 VanDerWaalsContact O-N 3.13Å; D195-K197 VanDerWaalsContact OD1-C 3.31Å; D195-K197 WeakPolarHBondContact OD1-CA 3.26Å; D195-K197 WeakPolarHBondContact OD1-CB 3.29Å; D195-K197 PolarHBondContact OD1-N 3.31Å; D195-G198 PolarHBondContact O-N 3.16Å; D195-G198 PolarHBondContact OD1-N 2.93Å; D195-G198 VanDerWaalsContact OD1-N 3.08Å; D195-R199 PolarHBondContact N-O 2.8Å; D195-R199 WeakPolarHBondContact OD1-CB 3.45Å; D195-R199 PolarHBondContact OD1-N 2.69Å; D195-R199 IonicContact OD1-NE 2.8Å; D195-R199 IonicContact OD2-CZ 2.91Å; D195-R199 IonicContact OD2-NE 4Å; D195-R199 PolarHBondContact OD2-NE 3.47Å; D195-R199 IonicContact OD2-NH2 3.85Å; D195-R199 PolarHBondContact OD2-NH2 2.94Å; D195-L201 HydrophobicContact CB-CD1 4.19Å; D195-L201 HydrophobicContact CB-CD2 4.24Å; D195-L201 HydrophobicContact CB-CG 4.41Å | ||
| 196 | D | 95.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 31.8 Ų | 31.8 | 62% | 0.615 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.2 | 178.1 | 61.2 | -14.4 | 0 | 0 | 0 | 113.8 | K151 | K151-D196 PolarHBondContact O-N 2.79Š|
| 197 | K | 95.1 | Very high | 97.6 | Very high | 152 Ų | 152 | 27.9 Ų | 27.9 | 66% | 0.661 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.4 | 175.7 | -60.3 | 179.8 | -175.4 | -177.1 | 0 | 112.5 | D195 R199 | D195-K197 PolarHBondContact O-N 2.9Å; D195-K197 VanDerWaalsContact O-N 3.13Å; D195-K197 VanDerWaalsContact OD1-C 3.31Å; D195-K197 WeakPolarHBondContact OD1-CA 3.26Å; D195-K197 WeakPolarHBondContact OD1-CB 3.29Å; D195-K197 PolarHBondContact OD1-N 3.31Å; K197-R199 VanDerWaalsContact C-N 3.33Å; K197-R199 HydrophobicContact CB-CG 4.38Å; K197-R199 PolarHBondContact O-N 3.34Å |
| 198 | G | 95.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 25.6 Ų | 25.6 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 74.9 | 17.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H161 D195 | H161-G198 PolarHBondContact NE2-O 3.43Å; D195-G198 PolarHBondContact O-N 3.16Å; D195-G198 PolarHBondContact OD1-N 2.93Å; D195-G198 VanDerWaalsContact OD1-N 3.08Å |
| 199 | R | 96.8 | Very high | 97.6 | Very high | 140 Ų | 140 | 24.9 Ų | 24.9 | 53% | 0.528 | 13% | 0.125 | S | C | . | . | trans | -90.2 | 130.2 | 178.6 | -58.7 | 178.6 | -63.6 | 171.1 | 4.9 | 110.5 | L194 D195 K197 | L194-R199 WeakPolarHBondContact CA-O 3.39Å; D195-R199 PolarHBondContact N-O 2.8Å; D195-R199 WeakPolarHBondContact OD1-CB 3.45Å; D195-R199 PolarHBondContact OD1-N 2.69Å; D195-R199 IonicContact OD1-NE 2.8Å; D195-R199 IonicContact OD2-CZ 2.91Å; D195-R199 IonicContact OD2-NE 4Å; D195-R199 PolarHBondContact OD2-NE 3.47Å; D195-R199 IonicContact OD2-NH2 3.85Å; D195-R199 PolarHBondContact OD2-NH2 2.94Å; K197-R199 VanDerWaalsContact C-N 3.33Å; K197-R199 HydrophobicContact CB-CG 4.38Å; K197-R199 PolarHBondContact O-N 3.34Å | ||
| 200 | P | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.1 | -178.8 | 29.3 | -34 | 0 | 0 | 0 | 112.3 | L157 H161 L164 C192 I193 L194 W203 | L157-P200 HydrophobicContact CD2-CB 4.31Å; H161-P200 HydrophobicContact CB-CG 4.05Å; L164-P200 HydrophobicContact CD2-CG 3.77Å; C192-P200 HydrophobicContact CB-CB 4.31Å; I193-P200 CarbonylContact O-C 3.49Å; I193-P200 WeakPolarHBondContact O-CA 3.49Å; L194-P200 HydrophobicContact CD2-CB 3.79Å; P200-W203 HydrophobicContact CB-CE3 4Å; P200-W203 HydrophobicContact CB-CZ3 4.46Å |
| 201 | L | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -31.3 | -178.7 | -48.9 | -179.2 | 0 | 0 | 0 | 112.3 | L152 I193 D195 T217 L218 H221 | L152-L201 HydrophobicContact CD2-CD1 3.61Å; I193-L201 PolarHBondContact O-N 3.32Å; D195-L201 HydrophobicContact CB-CD1 4.19Å; D195-L201 HydrophobicContact CB-CD2 4.24Å; D195-L201 HydrophobicContact CB-CG 4.41Å; L201-T217 WeakPolarHBondContact O-CA 3.45Å; L201-L218 HydrophobicContact CD2-CD1 4.3Å; L201-L218 PolarHBondContact O-N 3.09Å; L201-H221 HydrophobicContact CB-CB 4.39Å |
| 202 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.9 | 174.8 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | C192 I193 Y216 T217 | C192-S202 CarbonylContact C-O 3.53Å; C192-S202 WeakPolarHBondContact CA-O 3.46Å; C192-S202 WeakPolarHBondContact CB-O 3.45Å; I193-S202 PolarHBondContact N-O 2.74Å; S202-Y216 CarbonylContact C-O 3.57Å; S202-Y216 WeakPolarHBondContact CA-O 3.46Å; S202-Y216 PolarHBondContact OG-O 3.18Å; S202-T217 PolarHBondContact OG-OG1 3.4Å |
| 203 | W | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 165 | -176.5 | 58.2 | 85.4 | 0 | 0 | 0 | 112.3 | L157 L164 L165 T168 V191 C192 P200 H214 S215 Y216 L218 V230 | L157-W203 HydrophobicContact CD1-CB 4.18Å; L157-W203 HydrophobicContact CD1-CG 4.49Å; L157-W203 HydrophobicContact CD2-CB 3.87Å; L157-W203 HydrophobicContact CD2-CG 4.27Å; L157-W203 HydrophobicContact CG-CB 4.26Å; L164-W203 HydrophobicContact CD2-CH2 3.86Å; L164-W203 HydrophobicContact CD2-CZ3 3.88Å; L164-W203 HydrophobicContact CG-CH2 4.13Å; L165-W203 HydrophobicContact CD1-CD2 4.12Å; L165-W203 HydrophobicContact CD1-CG 4.3Å; L165-W203 HydrophobicContact CD1-CZ2 4.3Å; L165-W203 HydrophobicContact CG-CZ2 4.37Å; T168-W203 HydrophobicContact CG2-CH2 4.38Å; T168-W203 HydrophobicContact CG2-CZ2 4.5Å; T168-W203 VanDerWaalsContact OG1-CZ2 3.32Å; T168-W203 WeakPolarHBondContact OG1-CZ2 3.32Å; V191-W203 CarbonylContact O-C 3.39Å; V191-W203 VanDerWaalsContact O-CA 3.24Å; V191-W203 WeakPolarHBondContact O-CA 3.24Å; C192-W203 HydrophobicContact CB-CB 3.8Å; P200-W203 HydrophobicContact CB-CE3 4Å; P200-W203 HydrophobicContact CB-CZ3 4.46Å; W203-H214 AromaticContact NE1-CD2 3.9Å; W203-H214 AromaticContact NE1-CE1 3.72Å; W203-H214 AromaticContact NE1-ND1 4Å; W203-H214 AromaticContact NE1-NE2 3.67Å; W203-H214 PolarHBondContact NE1-O 3.22Å; W203-S215 VanDerWaalsContact O-CA 3.31Å; W203-S215 WeakPolarHBondContact O-CA 3.44Å; W203-Y216 AromaticContact CH2-CD1 3.6Å; W203-Y216 HydrophobicContact CH2-CD1 3.6Å; W203-Y216 HydrophobicContact CH2-CE1 4.31Å; W203-Y216 HydrophobicContact CH2-CG 4.46Å; W203-Y216 AromaticContact CZ2-CD1 3.51Å; W203-Y216 HydrophobicContact CZ2-CD1 3.51Å; W203-Y216 HydrophobicContact CZ2-CE1 4.45Å; W203-Y216 AromaticContact CZ2-CG 3.94Å; W203-Y216 HydrophobicContact CZ2-CG 3.94Å; W203-Y216 HydrophobicContact CZ3-CD1 4.44Å; W203-Y216 PolarHBondContact N-O 2.78Å; W203-Y216 PolarHBondContact O-N 2.85Å; W203-L218 HydrophobicContact CH2-CD2 4.04Å; W203-L218 HydrophobicContact CH2-CG 4.3Å; W203-L218 HydrophobicContact CZ3-CD2 4.37Å; W203-L218 HydrophobicContact CZ3-CG 4.16Å; W203-V230 VanDerWaalsContact C-CG1 3.46Å |
| 204 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 152.5 | 166.8 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | S190 V191 I213 S215 L234 | S190-S204 CarbonylContact C-O 3.47Å; S190-S204 WeakPolarHBondContact CA-O 3.43Å; V191-S204 PolarHBondContact N-O 2.87Å; V191-S204 PolarHBondContact O-N 3.19Å; S204-I213 PolarHBondContact OG-O 3.12Å; S204-S215 WeakPolarHBondContact CB-OG 3.43Å; S204-S215 PolarHBondContact OG-OG 2.83Å; S204-L234 WeakPolarHBondContact OG-CD2 3.46Å |
| 205 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 173.5 | 178 | 75.2 | 173.3 | 0 | 0 | 0 | 110.8 | L157 L165 L184 I185 P189 M212 I213 H214 | L157-L205 HydrophobicContact CD1-CB 4.27Å; L157-L205 HydrophobicContact CD1-CD1 4.43Å; L165-L205 HydrophobicContact CD2-CD2 4.34Å; L184-L205 HydrophobicContact CB-CD1 3.75Å; L184-L205 HydrophobicContact CD1-CD1 4.2Å; I185-L205 HydrophobicContact CG1-CD1 4.04Å; P189-L205 CarbonylContact O-C 3.46Å; P189-L205 WeakPolarHBondContact O-CA 3.49Å; L205-M212 CarbonylContact O-C 3.5Å; L205-M212 WeakPolarHBondContact O-CA 3.36Å; L205-I213 HydrophobicContact CD2-CD1 4.25Å; L205-I213 HydrophobicContact CD2-CG1 3.95Å; L205-I213 HydrophobicContact CG-CD1 4.45Å; L205-I213 HydrophobicContact CG-CG1 4.17Å; L205-I213 PolarHBondContact N-O 2.69Å; L205-I213 PolarHBondContact O-N 3.32Å; L205-H214 HydrophobicContact CD2-CB 3.7Å |
| 206 | T | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.5 | 176.4 | 50 | 0 | 0 | 0 | 0 | 112.1 | F188 P189 T211 M212 L234 M238 | F188-T206 WeakPolarHBondContact CB-O 3.22Å; F188-T206 WeakPolarHBondContact CB-OG1 3.39Å; P189-T206 WeakPolarHBondContact CD-OG1 3.47Å; P189-T206 PolarHBondContact O-N 2.9Å; P189-T206 PolarHBondContact O-OG1 2.97Å; P189-T206 VanDerWaalsContact O-OG1 3.06Å; T206-T211 CarbonylContact C-O 3.59Å; T206-T211 WeakPolarHBondContact CA-O 3.46Å; T206-M212 HydrophobicContact CG2-CG 3.92Å; T206-L234 HydrophobicContact CG2-CD1 4.39Å; T206-L234 HydrophobicContact CG2-CD2 4.34Å; T206-M238 HydrophobicContact CG2-CE 3.86Å; T206-M238 HydrophobicContact CG2-CG 4.21Å; T206-M238 HydrophobicContact CG2-SD 3.71Å |
| 207 | D | 97.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | trans | -95.1 | 178 | 178 | 78.2 | 1.8 | 0 | 0 | 0 | 112.9 | K26 N33 L184 F209 A210 T211 I213 | K26-D207 IonicContact NZ-OD2 3.17Å; K26-D207 PolarHBondContact NZ-OD2 2.9Å; N33-D207 PolarHBondContact ND2-O 3.28Å; L184-D207 HydrophobicContact CD1-CB 4.3Å; L184-D207 HydrophobicContact CD2-CB 4.46Å; D207-F209 PolarHBondContact O-N 2.82Å; D207-F209 VanDerWaalsContact OD1-CA 3.31Å; D207-F209 WeakPolarHBondContact OD1-CA 3.43Å; D207-F209 WeakPolarHBondContact OD1-CB 3.22Å; D207-F209 PolarHBondContact OD1-N 3.34Å; D207-A210 PolarHBondContact O-N 2.93Å; D207-A210 PolarHBondContact OD1-N 3.3Å; D207-T211 PolarHBondContact N-O 2.96Å; D207-T211 VanDerWaalsContact OD1-CB 3.32Å; D207-T211 WeakPolarHBondContact OD1-CB 3.4Å; D207-T211 PolarHBondContact OD1-N 2.9Å; D207-I213 HydrophobicContact CB-CD1 3.92Å; D207-I213 HydrophobicContact CB-CG1 4.16Å; D207-I213 HydrophobicContact CB-CG2 4.17Å | ||
| 208 | Q | 95.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -10.1 | 174.8 | 65.6 | -148.7 | -12 | 0 | 0 | 115.6 | N33 F40 Y71 Y180 F188 | N33-Q208 PolarHBondContact ND2-O 2.95Å; N33-Q208 VanDerWaalsContact ND2-O 3.13Å; F40-Q208 HydrophobicContact CB-CB 4.21Å; F40-Q208 HydrophobicContact CD1-CB 3.87Å; F40-Q208 HydrophobicContact CD2-CB 4.45Å; F40-Q208 HydrophobicContact CE1-CB 4.37Å; F40-Q208 HydrophobicContact CG-CB 3.9Å; Y71-Q208 PolarHBondContact O-NE2 3.18Å; Y180-Q208 PolarHBondContact OH-NE2 2.84Å; F188-Q208 HydrophobicContact CE2-CB 4.14Å; F188-Q208 HydrophobicContact CZ-CB 4.21Å |
| 209 | F | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 17.1 | 176.6 | -51.7 | -75.6 | 0 | 0 | 0 | 112.3 | K26 G29 A30 K42 A74 A76 D207 T211 Q246 | K26-F209 HydrophobicContact CD-CB 3.8Å; K26-F209 HydrophobicContact CD-CG 4.18Å; K26-F209 HydrophobicContact CG-CB 4.48Å; G29-F209 CarbonylContact C-O 3.57Å; G29-F209 WeakPolarHBondContact CA-O 3.36Å; A30-F209 HydrophobicContact CB-CD1 3.58Å; A30-F209 HydrophobicContact CB-CE1 4.24Å; K42-F209 VanDerWaalsContact NZ-CZ 3.26Å; A74-F209 HydrophobicContact CB-CE2 3.84Å; A74-F209 HydrophobicContact CB-CZ 3.63Å; A76-F209 HydrophobicContact CB-CD1 3.55Å; A76-F209 HydrophobicContact CB-CE1 3.37Å; A76-F209 HydrophobicContact CB-CZ 4.3Å; D207-F209 PolarHBondContact O-N 2.82Å; D207-F209 VanDerWaalsContact OD1-CA 3.31Å; D207-F209 WeakPolarHBondContact OD1-CA 3.43Å; D207-F209 WeakPolarHBondContact OD1-CB 3.22Å; D207-F209 PolarHBondContact OD1-N 3.34Å; F209-T211 PolarHBondContact O-N 3.44Å; F209-T211 VanDerWaalsContact O-N 3.16Å; F209-Q246 PolarHBondContact O-NE2 3.3Å; F209-Q246 VanDerWaalsContact O-NE2 3.13Å |
| 210 | A | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 57.4 | 23.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N33 D207 M238 F243 Q246 | N33-A210 PolarHBondContact ND2-N 3.36Å; D207-A210 PolarHBondContact O-N 2.93Å; D207-A210 PolarHBondContact OD1-N 3.3Å; A210-M238 HydrophobicContact CB-CE 4Å; A210-F243 HydrophobicContact CB-CD1 3.53Å; A210-F243 HydrophobicContact CB-CE1 3.75Å; A210-Q246 PolarHBondContact O-NE2 3.2Å |
| 211 | T | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.6 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | K26 T206 D207 F209 I213 Q246 | K26-T211 PolarHBondContact NZ-OG1 3.49Å; T206-T211 CarbonylContact C-O 3.59Å; T206-T211 WeakPolarHBondContact CA-O 3.46Å; D207-T211 PolarHBondContact N-O 2.96Å; D207-T211 VanDerWaalsContact OD1-CB 3.32Å; D207-T211 WeakPolarHBondContact OD1-CB 3.4Å; D207-T211 PolarHBondContact OD1-N 2.9Å; F209-T211 PolarHBondContact O-N 3.44Å; F209-T211 VanDerWaalsContact O-N 3.16Å; T211-I213 HydrophobicContact CG2-CG2 3.79Å; T211-I213 PolarHBondContact O-N 2.82Å; T211-Q246 VanDerWaalsContact OG1-CD 3.24Å; T211-Q246 PolarHBondContact OG1-NE2 2.9Å; T211-Q246 PolarHBondContact OG1-OE1 3.41Å |
| 212 | M | 98.1 | Very high | 97.4 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 117.3 | 167.5 | -64.1 | 171.4 | 63.9 | 0 | 0 | 108.8 | L205 T206 A231 L234 A235 A245 Q246 | L205-M212 CarbonylContact O-C 3.5Å; L205-M212 WeakPolarHBondContact O-CA 3.36Å; T206-M212 HydrophobicContact CG2-CG 3.92Å; M212-A231 WeakPolarHBondContact CE-O 3.19Å; M212-L234 HydrophobicContact CE-CB 4.01Å; M212-L234 HydrophobicContact CE-CD2 3.96Å; M212-L234 HydrophobicContact CE-CG 3.96Å; M212-L234 HydrophobicContact CG-CD2 4.12Å; M212-L234 HydrophobicContact CG-CG 4.35Å; M212-A235 HydrophobicContact CE-CB 4.18Å; M212-A235 HydrophobicContact SD-CB 4.24Å; M212-A245 HydrophobicContact SD-CB 4.07Å; M212-Q246 WeakPolarHBondContact CB-O 3.49Å; M212-Q246 PolarHBondContact N-O 3.09Å |
| 213 | I | 97.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 11% | 0.108 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 166.4 | -175.4 | 61.7 | 152.9 | 0 | 0 | 0 | 111 | W169 L184 S204 L205 D207 T211 S215 | W169-I213 HydrophobicContact CH2-CD1 4.16Å; W169-I213 HydrophobicContact CZ2-CD1 4.12Å; L184-I213 HydrophobicContact CD1-CD1 3.62Å; S204-I213 PolarHBondContact OG-O 3.12Å; L205-I213 HydrophobicContact CD2-CD1 4.25Å; L205-I213 HydrophobicContact CD2-CG1 3.95Å; L205-I213 HydrophobicContact CG-CD1 4.45Å; L205-I213 HydrophobicContact CG-CG1 4.17Å; L205-I213 PolarHBondContact N-O 2.69Å; L205-I213 PolarHBondContact O-N 3.32Å; D207-I213 HydrophobicContact CB-CD1 3.92Å; D207-I213 HydrophobicContact CB-CG1 4.16Å; D207-I213 HydrophobicContact CB-CG2 4.17Å; T211-I213 HydrophobicContact CG2-CG2 3.79Å; T211-I213 PolarHBondContact O-N 2.82Å; I213-S215 PolarHBondContact O-N 3.48Å; I213-S215 VanDerWaalsContact O-N 3.09Å |
| 214 | H | 96.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 39.9 | 167.5 | -161.6 | -170.8 | 0 | 0 | 0 | 114 | L165 W169 W203 L205 Y216 | L165-H214 PolarHBondContact O-CE1 2.82Å; W169-H214 VanDerWaalsContact CB-CE1 3.49Å; W169-H214 WeakPolarHBondContact CB-CE1 3.37Å; W169-H214 AromaticContact CD1-CD2 3.43Å; W169-H214 VanDerWaalsContact CD1-CD2 3.43Å; W169-H214 AromaticContact CD1-CG 3.63Å; W169-H214 AromaticContact CD1-NE2 3.74Å; W169-H214 AromaticContact CG-CD2 3.87Å; W169-H214 AromaticContact CG-CE1 3.74Å; W169-H214 AromaticContact CG-CG 3.89Å; W169-H214 AromaticContact CG-ND1 3.8Å; W169-H214 AromaticContact CG-NE2 3.78Å; W169-H214 AromaticContact NE1-CG 3.85Å; W203-H214 AromaticContact NE1-CD2 3.9Å; W203-H214 AromaticContact NE1-CE1 3.72Å; W203-H214 AromaticContact NE1-ND1 4Å; W203-H214 AromaticContact NE1-NE2 3.67Å; W203-H214 PolarHBondContact NE1-O 3.22Å; L205-H214 HydrophobicContact CD2-CB 3.7Å; H214-Y216 PolarHBondContact O-N 3.02Å |
| 215 | S | 96.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 114 | 168.3 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | W203 S204 I213 | W203-S215 VanDerWaalsContact O-CA 3.31Å; W203-S215 WeakPolarHBondContact O-CA 3.44Å; S204-S215 WeakPolarHBondContact CB-OG 3.43Å; S204-S215 PolarHBondContact OG-OG 2.83Å; I213-S215 PolarHBondContact O-N 3.48Å; I213-S215 VanDerWaalsContact O-N 3.09Å |
| 216 | Y | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.6 | -176 | -163.5 | -92.5 | 0 | 0 | 0 | 111.6 | T168 S202 W203 H214 L218 R222 | T168-Y216 HydrophobicContact CG2-CE1 4.05Å; S202-Y216 CarbonylContact C-O 3.57Å; S202-Y216 WeakPolarHBondContact CA-O 3.46Å; S202-Y216 PolarHBondContact OG-O 3.18Å; W203-Y216 AromaticContact CH2-CD1 3.6Å; W203-Y216 HydrophobicContact CH2-CD1 3.6Å; W203-Y216 HydrophobicContact CH2-CE1 4.31Å; W203-Y216 HydrophobicContact CH2-CG 4.46Å; W203-Y216 AromaticContact CZ2-CD1 3.51Å; W203-Y216 HydrophobicContact CZ2-CD1 3.51Å; W203-Y216 HydrophobicContact CZ2-CE1 4.45Å; W203-Y216 AromaticContact CZ2-CG 3.94Å; W203-Y216 HydrophobicContact CZ2-CG 3.94Å; W203-Y216 HydrophobicContact CZ3-CD1 4.44Å; W203-Y216 PolarHBondContact N-O 2.78Å; W203-Y216 PolarHBondContact O-N 2.85Å; H214-Y216 PolarHBondContact O-N 3.02Å; Y216-L218 HydrophobicContact CE1-CD2 4.27Å; Y216-R222 PolarHBondContact OH-NH2 3.22Å |
| 217 | T | 98.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128 | 170.2 | -51.9 | 0 | 0 | 0 | 0 | 107.7 | L201 S202 H221 R222 Y226 | L201-T217 WeakPolarHBondContact O-CA 3.45Å; S202-T217 PolarHBondContact OG-OG1 3.4Å; T217-H221 HydrophobicContact CG2-CB 3.92Å; T217-H221 WeakPolarHBondContact CG2-O 3.23Å; T217-R222 HydrophobicContact CG2-CG 4.17Å; T217-R222 PolarHBondContact O-NE 2.86Å; T217-R222 VanDerWaalsContact O-NE 3.09Å; T217-Y226 HydrophobicContact CG2-CD2 4.47Å |
| 218 | L | 98 | Very high | 96 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | trans | -52.5 | 138.2 | 175.8 | -69.7 | 179 | 0 | 0 | 0 | 110.6 | L164 T168 L201 W203 Y216 E220 H221 R222 | L164-L218 HydrophobicContact CD1-CD2 4.47Å; T168-L218 HydrophobicContact CG2-CD2 4.37Å; L201-L218 HydrophobicContact CD2-CD1 4.3Å; L201-L218 PolarHBondContact O-N 3.09Å; W203-L218 HydrophobicContact CH2-CD2 4.04Å; W203-L218 HydrophobicContact CH2-CG 4.3Å; W203-L218 HydrophobicContact CZ3-CD2 4.37Å; W203-L218 HydrophobicContact CZ3-CG 4.16Å; Y216-L218 HydrophobicContact CE1-CD2 4.27Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.3Å; L218-E220 VanDerWaalsContact O-N 3.16Å; L218-H221 WeakPolarHBondContact O-CA 3.28Å; L218-H221 PolarHBondContact O-N 2.93Å; L218-R222 PolarHBondContact O-N 3.16Å | ||
| 219 | P | 97.3 | Very high | 96 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 47% | 0.474 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -46.3 | -46.8 | -173.1 | -30.4 | 36 | 0 | 0 | 0 | 115.2 | H221 R222 | P219-H221 PolarHBondContact O-N 3.32Å; P219-R222 WeakPolarHBondContact O-CB 3.42Å; P219-R222 WeakPolarHBondContact O-CG 3.2Å; P219-R222 PolarHBondContact O-N 3.21Å |
| 220 | E | 96.6 | Very high | 95.9 | Very high | 119 Ų | 119 | 53 Ų | 53 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -70.3 | -11.8 | -178.9 | 67.5 | -81.5 | -166.5 | 0 | 0 | 114.2 | L218 K224 | L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.3Å; L218-E220 VanDerWaalsContact O-N 3.16Å; E220-K224 PolarHBondContact O-NZ 3.25Å |
| 221 | H | 95.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -108.9 | 4.8 | 177.2 | -65.1 | -74.5 | 0 | 0 | 0 | 113.4 | L201 T217 L218 P219 Y226 | L201-H221 HydrophobicContact CB-CB 4.39Å; T217-H221 HydrophobicContact CG2-CB 3.92Å; T217-H221 WeakPolarHBondContact CG2-O 3.23Å; L218-H221 WeakPolarHBondContact O-CA 3.28Å; L218-H221 PolarHBondContact O-N 2.93Å; P219-H221 PolarHBondContact O-N 3.32Å; H221-Y226 HydrophobicContact CB-CD2 4.06Å; H221-Y226 HydrophobicContact CB-CE2 4.03Å; H221-Y226 WeakPolarHBondContact O-CD2 3.31Å |
| 222 | R | 95.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 162.9 | 179.3 | -68.1 | 178.2 | -175.5 | 166 | 2.6 | 112.5 | Y216 T217 L218 P219 K224 | Y216-R222 PolarHBondContact OH-NH2 3.22Å; T217-R222 HydrophobicContact CG2-CG 4.17Å; T217-R222 PolarHBondContact O-NE 2.86Å; T217-R222 VanDerWaalsContact O-NE 3.09Å; L218-R222 PolarHBondContact O-N 3.16Å; P219-R222 WeakPolarHBondContact O-CB 3.42Å; P219-R222 WeakPolarHBondContact O-CG 3.2Å; P219-R222 PolarHBondContact O-N 3.21Å; R222-K224 PolarHBondContact O-N 3.2Å; R222-K224 VanDerWaalsContact O-N 3.13Å |
| 223 | R | 92.3 | Very high | 95.6 | Very high | 247 Ų | 247 | 54.1 Ų | 54.1 | 93% | 0.932 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14.8 | 178.6 | -46.5 | -64.1 | -95.1 | -156.9 | -8.1 | 114.9 | ||
| 224 | K | 92.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -99.7 | 8.6 | 175.1 | -64 | 173.3 | -177.6 | 170.4 | 0 | 113.5 | F146 E220 R222 Y226 | F146-K224 WeakPolarHBondContact CE2-O 3.21Å; F146-K224 WeakPolarHBondContact CZ-O 3.38Å; E220-K224 PolarHBondContact O-NZ 3.25Å; R222-K224 PolarHBondContact O-N 3.2Å; R222-K224 VanDerWaalsContact O-N 3.13Å; K224-Y226 VanDerWaalsContact C-N 3.28Å; K224-Y226 HydrophobicContact CB-CD1 4.36Å; K224-Y226 HydrophobicContact CB-CD2 3.98Å; K224-Y226 HydrophobicContact CB-CE1 4.11Å; K224-Y226 HydrophobicContact CB-CE2 3.7Å; K224-Y226 HydrophobicContact CB-CG 4.29Å; K224-Y226 HydrophobicContact CD-CE2 3.64Å; K224-Y226 HydrophobicContact CG-CE2 4.29Å; K224-Y226 PolarHBondContact O-N 3.16Å |
| 225 | G | 92.4 | Very high | 95.6 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 80.2 | -5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S227 R228 L229 | G225-S227 PolarHBondContact O-N 3.1Å; G225-R228 WeakPolarHBondContact O-CB 3.36Å; G225-R228 PolarHBondContact O-N 3.36Å; G225-R228 VanDerWaalsContact O-N 3.14Å; G225-L229 PolarHBondContact O-N 3.46Å |
| 226 | Y | 95.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.3 | -46.7 | -176.9 | -63.8 | -24.7 | 0 | 0 | 0 | 114.8 | F146 L152 I193 T217 H221 K224 R228 L229 V230 | F146-Y226 AromaticContact CE1-CD1 3.84Å; F146-Y226 HydrophobicContact CE1-CD1 3.84Å; F146-Y226 AromaticContact CE1-CE1 3.7Å; F146-Y226 HydrophobicContact CE1-CE1 3.7Å; F146-Y226 AromaticContact CZ-CD1 3.7Å; F146-Y226 HydrophobicContact CZ-CD1 3.7Å; F146-Y226 AromaticContact CZ-CE1 3.57Å; F146-Y226 HydrophobicContact CZ-CE1 3.57Å; L152-Y226 HydrophobicContact CD1-CE1 3.89Å; L152-Y226 HydrophobicContact CD1-CE2 4.41Å; L152-Y226 WeakPolarHBondContact CD1-OH 3.46Å; I193-Y226 HydrophobicContact CD1-CD1 3.74Å; I193-Y226 HydrophobicContact CD1-CG 3.82Å; T217-Y226 HydrophobicContact CG2-CD2 4.47Å; H221-Y226 HydrophobicContact CB-CD2 4.06Å; H221-Y226 HydrophobicContact CB-CE2 4.03Å; H221-Y226 WeakPolarHBondContact O-CD2 3.31Å; K224-Y226 VanDerWaalsContact C-N 3.28Å; K224-Y226 HydrophobicContact CB-CD1 4.36Å; K224-Y226 HydrophobicContact CB-CD2 3.98Å; K224-Y226 HydrophobicContact CB-CE1 4.11Å; K224-Y226 HydrophobicContact CB-CE2 3.7Å; K224-Y226 HydrophobicContact CB-CG 4.29Å; K224-Y226 HydrophobicContact CD-CE2 3.64Å; K224-Y226 HydrophobicContact CG-CE2 4.29Å; K224-Y226 PolarHBondContact O-N 3.16Å; Y226-R228 VanDerWaalsContact C-N 3.28Å; Y226-R228 PolarHBondContact O-N 2.75Å; Y226-L229 PolarHBondContact O-N 2.84Å; Y226-L229 VanDerWaalsContact O-N 3.16Å; Y226-V230 WeakPolarHBondContact O-CG2 3.28Å; Y226-V230 PolarHBondContact O-N 2.54Å |
| 227 | S | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 179.1 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | G225 V230 A231 L259 | G225-S227 PolarHBondContact O-N 3.1Å; S227-V230 PolarHBondContact O-N 3.01Å; S227-A231 WeakPolarHBondContact O-CB 3.44Å; S227-A231 PolarHBondContact O-N 3.48Å; S227-L259 WeakPolarHBondContact OG-CD2 3.43Å |
| 228 | R | 94.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 52 Ų | 52 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.8 | -172.9 | -179.6 | -176.2 | -171.9 | 5.4 | 111.7 | P142 G225 Y226 T232 L259 S262 M263 | P142-R228 VanDerWaalsContact CB-NH2 3.27Å; G225-R228 WeakPolarHBondContact O-CB 3.36Å; G225-R228 PolarHBondContact O-N 3.36Å; G225-R228 VanDerWaalsContact O-N 3.14Å; Y226-R228 VanDerWaalsContact C-N 3.28Å; Y226-R228 PolarHBondContact O-N 2.75Å; R228-T232 VanDerWaalsContact O-CB 3.22Å; R228-T232 WeakPolarHBondContact O-CB 3.49Å; R228-T232 PolarHBondContact O-N 3.1Å; R228-T232 PolarHBondContact O-OG1 3.26Å; R228-L259 HydrophobicContact CB-CD1 3.66Å; R228-L259 HydrophobicContact CG-CD1 4.13Å; R228-S262 PolarHBondContact NH2-O 2.83Å; R228-M263 HydrophobicContact CG-CG 4.11Å; R228-M263 HydrophobicContact CG-SD 4.46Å |
| 229 | L | 94.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 177.1 | 168.6 | 60.6 | 0 | 0 | 0 | 111.5 | V144 F146 M148 L154 I193 G225 Y226 T233 | V144-L229 HydrophobicContact CB-CD1 4.11Å; V144-L229 HydrophobicContact CG1-CB 3.9Å; V144-L229 HydrophobicContact CG1-CD1 3.4Å; V144-L229 HydrophobicContact CG1-CG 4.19Å; F146-L229 HydrophobicContact CB-CD2 4.33Å; F146-L229 HydrophobicContact CD1-CD2 3.72Å; F146-L229 HydrophobicContact CE1-CD2 4.41Å; F146-L229 HydrophobicContact CG-CD2 4.21Å; M148-L229 HydrophobicContact CE-CD2 3.13Å; M148-L229 HydrophobicContact CE-CG 4.5Å; L154-L229 HydrophobicContact CD1-CD2 4.24Å; L154-L229 HydrophobicContact CD1-CG 4.13Å; L154-L229 HydrophobicContact CD2-CD1 4.29Å; I193-L229 HydrophobicContact CD1-CD2 4.08Å; G225-L229 PolarHBondContact O-N 3.46Å; Y226-L229 PolarHBondContact O-N 2.84Å; Y226-L229 VanDerWaalsContact O-N 3.16Å; L229-T233 VanDerWaalsContact O-CB 3.29Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 PolarHBondContact O-N 3.23Å; L229-T233 PolarHBondContact O-OG1 2.96Å |
| 230 | V | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 179.6 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | V191 I193 W203 Y226 S227 T232 T233 L234 | V191-V230 HydrophobicContact CB-CG1 4.15Å; V191-V230 HydrophobicContact CG1-CB 4.4Å; V191-V230 HydrophobicContact CG1-CG1 4.17Å; V191-V230 HydrophobicContact CG1-CG2 4.33Å; V191-V230 WeakPolarHBondContact O-CG1 3.46Å; I193-V230 HydrophobicContact CD1-CG2 3.74Å; I193-V230 HydrophobicContact CG1-CG2 3.82Å; W203-V230 VanDerWaalsContact C-CG1 3.46Å; Y226-V230 WeakPolarHBondContact O-CG2 3.28Å; Y226-V230 PolarHBondContact O-N 2.54Å; S227-V230 PolarHBondContact O-N 3.01Å; V230-T232 PolarHBondContact O-N 2.9Å; V230-T233 PolarHBondContact O-N 3.43Å; V230-L234 WeakPolarHBondContact O-CB 3.37Å; V230-L234 PolarHBondContact O-N 3.45Å |
| 231 | A | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M212 S227 L234 A235 M263 | M212-A231 WeakPolarHBondContact CE-O 3.19Å; S227-A231 WeakPolarHBondContact O-CB 3.44Å; S227-A231 PolarHBondContact O-N 3.48Å; A231-L234 PolarHBondContact O-N 3.19Å; A231-A235 WeakPolarHBondContact O-CB 3.16Å; A231-A235 PolarHBondContact O-N 3.49Å; A231-M263 HydrophobicContact CB-CE 3.69Å; A231-M263 HydrophobicContact CB-SD 3.72Å |
| 232 | T | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 178 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | L141 P142 V144 R228 V230 A235 K236 M263 | L141-T232 HydrophobicContact CB-CG2 4.21Å; P142-T232 HydrophobicContact CG-CG2 4.19Å; V144-T232 HydrophobicContact CG2-CG2 3.39Å; R228-T232 VanDerWaalsContact O-CB 3.22Å; R228-T232 WeakPolarHBondContact O-CB 3.49Å; R228-T232 PolarHBondContact O-N 3.1Å; R228-T232 PolarHBondContact O-OG1 3.26Å; V230-T232 PolarHBondContact O-N 2.9Å; T232-A235 PolarHBondContact O-N 3.16Å; T232-K236 HydrophobicContact CG2-CD 4.44Å; T232-K236 WeakPolarHBondContact O-CG 3.49Å; T232-K236 PolarHBondContact O-N 3.31Å; T232-M263 WeakPolarHBondContact OG1-CE 3.48Å |
| 233 | T | 95.3 | Very high | 94.9 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | L154 V191 L229 V230 K236 K237 | L154-T233 HydrophobicContact CD2-CG2 4.07Å; V191-T233 HydrophobicContact CG1-CG2 4.12Å; V191-T233 HydrophobicContact CG2-CG2 3.92Å; L229-T233 VanDerWaalsContact O-CB 3.29Å; L229-T233 WeakPolarHBondContact O-CB 3.34Å; L229-T233 PolarHBondContact O-N 3.23Å; L229-T233 PolarHBondContact O-OG1 2.96Å; V230-T233 PolarHBondContact O-N 3.43Å; T233-K236 PolarHBondContact O-N 2.82Å; T233-K237 WeakPolarHBondContact O-CB 3.43Å; T233-K237 PolarHBondContact O-N 2.96Å |
| 234 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.1 | -178.6 | 60.2 | 0 | 0 | 0 | 111.4 | P189 V191 S204 T206 M212 V230 A231 K236 K237 M238 | P189-L234 HydrophobicContact CB-CD1 3.83Å; V191-L234 HydrophobicContact CB-CB 4.31Å; V191-L234 HydrophobicContact CG2-CB 3.84Å; V191-L234 HydrophobicContact CG2-CD1 4.23Å; S204-L234 WeakPolarHBondContact OG-CD2 3.46Å; T206-L234 HydrophobicContact CG2-CD1 4.39Å; T206-L234 HydrophobicContact CG2-CD2 4.34Å; M212-L234 HydrophobicContact CE-CB 4.01Å; M212-L234 HydrophobicContact CE-CD2 3.96Å; M212-L234 HydrophobicContact CE-CG 3.96Å; M212-L234 HydrophobicContact CG-CD2 4.12Å; M212-L234 HydrophobicContact CG-CG 4.35Å; V230-L234 WeakPolarHBondContact O-CB 3.37Å; V230-L234 PolarHBondContact O-N 3.45Å; A231-L234 PolarHBondContact O-N 3.19Å; L234-K236 PolarHBondContact O-N 2.92Å; L234-K237 WeakPolarHBondContact O-CB 3.31Å; L234-K237 PolarHBondContact O-N 2.9Å; L234-M238 WeakPolarHBondContact O-CG 3.18Å; L234-M238 PolarHBondContact O-N 3.14Å |
| 235 | A | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L141 M212 A231 T232 K237 M238 H239 A245 | L141-A235 HydrophobicContact CD1-CB 3.79Å; L141-A235 HydrophobicContact CD2-CB 4.03Å; M212-A235 HydrophobicContact CE-CB 4.18Å; M212-A235 HydrophobicContact SD-CB 4.24Å; A231-A235 WeakPolarHBondContact O-CB 3.16Å; A231-A235 PolarHBondContact O-N 3.49Å; T232-A235 PolarHBondContact O-N 3.16Å; A235-K237 VanDerWaalsContact C-N 3.29Å; A235-K237 PolarHBondContact O-N 3.34Å; A235-M238 WeakPolarHBondContact O-CB 3.45Å; A235-M238 PolarHBondContact O-N 2.93Å; A235-M238 VanDerWaalsContact O-N 3.09Å; A235-H239 PolarHBondContact O-CD2 3.1Å; A235-H239 PolarHBondContact O-N 3.08Å; A235-A245 HydrophobicContact CB-CB 3.77Å |
| 236 | K | 95.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 32 Ų | 32 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 174.4 | -72.6 | -179 | 178.2 | -178.7 | 0 | 112.1 | L141 T232 T233 L234 H239 S240 | L141-K236 HydrophobicContact CD1-CG 3.68Å; T232-K236 HydrophobicContact CG2-CD 4.44Å; T232-K236 WeakPolarHBondContact O-CG 3.49Å; T232-K236 PolarHBondContact O-N 3.31Å; T233-K236 PolarHBondContact O-N 2.82Å; L234-K236 PolarHBondContact O-N 2.92Å; K236-H239 PolarHBondContact O-N 2.9Å; K236-S240 PolarHBondContact O-N 3.44Å |
| 237 | K | 95.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -34 | 175.9 | -177.4 | 168.7 | -178.5 | 166.1 | 0 | 113.1 | Y156 P189 T233 L234 A235 S240 R241 | Y156-K237 HydrophobicContact CE1-CD 4.06Å; Y156-K237 PolarHBondContact OH-NZ 3.17Å; P189-K237 HydrophobicContact CB-CD 4.27Å; T233-K237 WeakPolarHBondContact O-CB 3.43Å; T233-K237 PolarHBondContact O-N 2.96Å; L234-K237 WeakPolarHBondContact O-CB 3.31Å; L234-K237 PolarHBondContact O-N 2.9Å; A235-K237 VanDerWaalsContact C-N 3.29Å; A235-K237 PolarHBondContact O-N 3.34Å; K237-S240 PolarHBondContact O-OG 3Å; K237-S240 VanDerWaalsContact O-OG 3.07Å; K237-R241 WeakPolarHBondContact O-CG 3.48Å; K237-R241 PolarHBondContact O-N 3.37Å |
| 238 | M | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 174.3 | -70.4 | -57 | -78.7 | 0 | 0 | 110.9 | P189 T206 A210 L234 A235 S240 R241 G242 F243 A245 | P189-M238 HydrophobicContact CB-SD 4.21Å; P189-M238 HydrophobicContact CG-SD 3.96Å; T206-M238 HydrophobicContact CG2-CE 3.86Å; T206-M238 HydrophobicContact CG2-CG 4.21Å; T206-M238 HydrophobicContact CG2-SD 3.71Å; A210-M238 HydrophobicContact CB-CE 4Å; L234-M238 WeakPolarHBondContact O-CG 3.18Å; L234-M238 PolarHBondContact O-N 3.14Å; A235-M238 WeakPolarHBondContact O-CB 3.45Å; A235-M238 PolarHBondContact O-N 2.93Å; A235-M238 VanDerWaalsContact O-N 3.09Å; M238-S240 PolarHBondContact O-N 2.98Å; M238-R241 CarbonylContact O-C 3.56Å; M238-R241 PolarHBondContact O-N 3.07Å; M238-R241 VanDerWaalsContact O-N 3.1Å; M238-G242 PolarHBondContact O-N 3Å; M238-F243 CarbonylContact C-O 3.59Å; M238-F243 HydrophobicContact CB-CB 4.28Å; M238-F243 HydrophobicContact CE-CB 3.44Å; M238-F243 VanDerWaalsContact CE-CB 3.44Å; M238-F243 HydrophobicContact CE-CD1 4.09Å; M238-F243 HydrophobicContact CE-CD2 4.15Å; M238-F243 HydrophobicContact CE-CG 3.69Å; M238-F243 PolarHBondContact O-N 3.31Å; M238-F243 HydrophobicContact SD-CB 4.41Å; M238-A245 HydrophobicContact CB-CB 4.25Å |
| 239 | H | 95.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.5 | -74.9 | -70.7 | 0 | 0 | 0 | 112.9 | H135 P138 A235 K236 R241 G242 | H135-H239 PolarHBondContact O-CE1 3.21Å; H135-H239 PolarHBondContact O-NE2 2.66Å; P138-H239 HydrophobicContact CB-CB 3.96Å; P138-H239 HydrophobicContact CG-CB 4.38Å; A235-H239 PolarHBondContact O-CD2 3.1Å; A235-H239 PolarHBondContact O-N 3.08Å; K236-H239 PolarHBondContact O-N 2.9Å; H239-R241 PolarHBondContact O-N 3.4Å; H239-R241 VanDerWaalsContact O-N 3.14Å; H239-G242 WeakPolarHBondContact O-CA 3.44Å; H239-G242 PolarHBondContact O-N 3.45Å |
| 240 | S | 94.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 31 Ų | 31 | 69% | 0.685 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -65 | -18.4 | 178.2 | 73 | 0 | 0 | 0 | 0 | 113.5 | K236 K237 M238 | K236-S240 PolarHBondContact O-N 3.44Å; K237-S240 PolarHBondContact O-OG 3Å; K237-S240 VanDerWaalsContact O-OG 3.07Å; M238-S240 PolarHBondContact O-N 2.98Å |
| 241 | R | 94.3 | Very high | 95.4 | Very high | 123 Ų | 123 | 36.7 Ų | 36.7 | 46% | 0.464 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.5 | 171.8 | -66.5 | -177.7 | 173.6 | -156.4 | -2.4 | 112.8 | R36 K237 M238 H239 F243 | R36-R241 PolarHBondContact NH1-O 3.35Å; K237-R241 WeakPolarHBondContact O-CG 3.48Å; K237-R241 PolarHBondContact O-N 3.37Å; M238-R241 CarbonylContact O-C 3.56Å; M238-R241 PolarHBondContact O-N 3.07Å; M238-R241 VanDerWaalsContact O-N 3.1Å; H239-R241 PolarHBondContact O-N 3.4Å; H239-R241 VanDerWaalsContact O-N 3.14Å; R241-F243 HydrophobicContact CB-CD2 3.76Å; R241-F243 HydrophobicContact CB-CE2 4.18Å; R241-F243 WeakPolarHBondContact O-CD2 3.21Å; R241-F243 PolarHBondContact O-N 2.93Å |
| 242 | G | 93.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 17.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M32 M238 H239 | M32-G242 WeakPolarHBondContact CE-O 3.49Å; M238-G242 PolarHBondContact O-N 3Å; H239-G242 WeakPolarHBondContact O-CA 3.44Å; H239-G242 PolarHBondContact O-N 3.45Å |
| 243 | F | 94.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -91.6 | 148.8 | 172.5 | -72.4 | -92.7 | 0 | 0 | 0 | 110.8 | M32 N33 A210 M238 R241 | M32-F243 HydrophobicContact CB-CD1 3.81Å; M32-F243 HydrophobicContact CB-CE1 3.33Å; M32-F243 HydrophobicContact CB-CZ 4.14Å; M32-F243 HydrophobicContact CE-CD1 3.94Å; M32-F243 HydrophobicContact CE-CE1 4.4Å; M32-F243 HydrophobicContact CE-CG 4.15Å; M32-F243 HydrophobicContact CG-CD1 4.33Å; M32-F243 HydrophobicContact CG-CE1 4.31Å; M32-F243 HydrophobicContact SD-CB 4.47Å; M32-F243 HydrophobicContact SD-CD1 3.45Å; M32-F243 WeakPolarHBondContact SD-CD1 3.5Å; M32-F243 HydrophobicContact SD-CE1 4Å; M32-F243 HydrophobicContact SD-CG 4.12Å; N33-F243 WeakPolarHBondContact OD1-CE1 3.47Å; N33-F243 VanDerWaalsContact OD1-CZ 3.28Å; N33-F243 WeakPolarHBondContact OD1-CZ 3.24Å; A210-F243 HydrophobicContact CB-CD1 3.53Å; A210-F243 HydrophobicContact CB-CE1 3.75Å; M238-F243 CarbonylContact C-O 3.59Å; M238-F243 HydrophobicContact CB-CB 4.28Å; M238-F243 HydrophobicContact CE-CB 3.44Å; M238-F243 VanDerWaalsContact CE-CB 3.44Å; M238-F243 HydrophobicContact CE-CD1 4.09Å; M238-F243 HydrophobicContact CE-CD2 4.15Å; M238-F243 HydrophobicContact CE-CG 3.69Å; M238-F243 PolarHBondContact O-N 3.31Å; M238-F243 HydrophobicContact SD-CB 4.41Å; R241-F243 HydrophobicContact CB-CD2 3.76Å; R241-F243 HydrophobicContact CB-CE2 4.18Å; R241-F243 WeakPolarHBondContact O-CD2 3.21Å; R241-F243 PolarHBondContact O-N 2.93Å | ||
| 244 | P | 91.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | trans | -67.2 | 134.1 | 166.1 | 28.2 | -32.1 | 0 | 0 | 0 | 109.7 | L25 Y28 I134 Q246 | L25-P244 HydrophobicContact CD1-CB 4.19Å; L25-P244 HydrophobicContact CD1-CG 3.83Å; Y28-P244 HydrophobicContact CD1-CG 4.2Å; Y28-P244 HydrophobicContact CE1-CG 3.99Å; I134-P244 HydrophobicContact CD1-CB 3.99Å; P244-Q246 HydrophobicContact CG-CG 4.4Å; P244-Q246 PolarHBondContact O-N 3.29Å; P244-Q246 VanDerWaalsContact O-N 3.15Å | ||
| 245 | A | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 91.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | I134 H135 M212 A235 M238 | I134-A245 CarbonylContact C-O 3.54Å; I134-A245 WeakPolarHBondContact CA-O 3.27Å; H135-A245 HydrophobicContact CB-CB 3.99Å; H135-A245 PolarHBondContact N-O 2.84Å; M212-A245 HydrophobicContact SD-CB 4.07Å; A235-A245 HydrophobicContact CB-CB 3.77Å; M238-A245 HydrophobicContact CB-CB 4.25Å |
| 246 | Q | 96 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.6 | -173.5 | 59.3 | 85.9 | -4 | 0 | 0 | 113 | L25 M132 V133 I134 F209 A210 T211 M212 P244 | L25-Q246 HydrophobicContact CD1-CG 4.39Å; L25-Q246 HydrophobicContact CD2-CB 3.92Å; L25-Q246 HydrophobicContact CD2-CG 4.17Å; L25-Q246 HydrophobicContact CG-CB 4.5Å; L25-Q246 HydrophobicContact CG-CG 4.2Å; M132-Q246 HydrophobicContact CE-CB 3.69Å; M132-Q246 HydrophobicContact CE-CG 4.2Å; V133-Q246 WeakPolarHBondContact O-CA 3.47Å; I134-Q246 HydrophobicContact CB-CB 4.49Å; I134-Q246 HydrophobicContact CG1-CB 4.29Å; F209-Q246 PolarHBondContact O-NE2 3.3Å; F209-Q246 VanDerWaalsContact O-NE2 3.13Å; A210-Q246 PolarHBondContact O-NE2 3.2Å; T211-Q246 VanDerWaalsContact OG1-CD 3.24Å; T211-Q246 PolarHBondContact OG1-NE2 2.9Å; T211-Q246 PolarHBondContact OG1-OE1 3.41Å; M212-Q246 WeakPolarHBondContact CB-O 3.49Å; M212-Q246 PolarHBondContact N-O 3.09Å; P244-Q246 HydrophobicContact CG-CG 4.4Å; P244-Q246 PolarHBondContact O-N 3.29Å; P244-Q246 VanDerWaalsContact O-N 3.15Å |
| 247 | G | 96.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 176 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M132 V133 | M132-G247 VanDerWaalsContact CE-O 3.29Å; M132-G247 WeakPolarHBondContact CE-O 3.46Å; V133-G247 WeakPolarHBondContact CG2-O 3.38Å; V133-G247 PolarHBondContact N-O 3Å; V133-G247 PolarHBondContact O-N 2.86Å |
| 248 | N | 97 | Very high | 95.5 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.8 | 169.4 | 54.2 | 85.5 | 0 | 0 | 0 | 110.6 | F130 Q131 M132 F272 | F130-N248 HydrophobicContact CB-CB 3.96Å; Q131-N248 CarbonylContact O-C 3.55Å; Q131-N248 VanDerWaalsContact O-CA 3.22Å; Q131-N248 WeakPolarHBondContact O-CA 3.47Å; M132-N248 HydrophobicContact SD-CB 4.39Å; N248-F272 HydrophobicContact CB-CB 3.95Å; N248-F272 HydrophobicContact CB-CD1 3.86Å; N248-F272 HydrophobicContact CB-CG 3.97Å |
| 249 | V | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.7 | -175.7 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | F130 Q131 V133 N253 V257 L260 F267 | F130-V249 WeakPolarHBondContact CB-O 3.45Å; Q131-V249 HydrophobicContact CB-CG1 4.1Å; Q131-V249 PolarHBondContact N-O 3.13Å; Q131-V249 PolarHBondContact O-N 3.08Å; V133-V249 HydrophobicContact CG1-CG1 4.35Å; V249-N253 HydrophobicContact CG2-CB 4.2Å; V249-V257 HydrophobicContact CG1-CG2 4.04Å; V249-V257 HydrophobicContact CG2-CG2 3.88Å; V249-L260 HydrophobicContact CB-CD1 3.85Å; V249-L260 HydrophobicContact CG1-CD1 3.78Å; V249-L260 HydrophobicContact CG2-CD1 4.21Å; V249-F267 HydrophobicContact CG1-CE1 4.11Å |
| 250 | M | 95.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | trans | -75.5 | 135.8 | 173.1 | -169.4 | 167.2 | 57.8 | 0 | 0 | 108.7 | F130 T252 N253 | F130-M250 HydrophobicContact CD1-CB 3.86Å; F130-M250 HydrophobicContact CD1-CG 4.5Å; F130-M250 HydrophobicContact CE1-CB 4.06Å; F130-M250 HydrophobicContact CE1-CG 4.48Å; M250-T252 WeakPolarHBondContact CE-OG1 3.44Å; M250-T252 WeakPolarHBondContact CG-OG1 3.47Å; M250-T252 PolarHBondContact O-N 2.95Å; M250-T252 VanDerWaalsContact O-N 3.17Å; M250-N253 HydrophobicContact CB-CB 4.35Å; M250-N253 VanDerWaalsContact O-CB 3.29Å; M250-N253 WeakPolarHBondContact O-CB 3.42Å; M250-N253 PolarHBondContact O-N 2.81Å | ||
| 251 | E | 92.6 | Very high | 95.4 | Very high | 122 Ų | 122 | 55.3 Ų | 55.3 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -35.1 | -175.4 | -59 | -167 | 152.9 | 0 | 0 | 112.9 | Q131 N253 | Q131-E251 HydrophobicContact CG-CG 3.73Å; Q131-E251 WeakPolarHBondContact CG-OE1 3.35Å; Q131-E251 PolarHBondContact NE2-OE1 3.49Å; E251-N253 PolarHBondContact O-N 3.03Å |
| 252 | T | 95.5 | Very high | 95.3 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.4 | 178 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | M250 I254 | M250-T252 WeakPolarHBondContact CE-OG1 3.44Å; M250-T252 WeakPolarHBondContact CG-OG1 3.47Å; M250-T252 PolarHBondContact O-N 2.95Å; M250-T252 VanDerWaalsContact O-N 3.17Å; T252-I254 PolarHBondContact O-N 3.47Å |
| 253 | N | 95.6 | Very high | 95.3 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | trans | -82.8 | 65.6 | 174 | -169.8 | -16.9 | 0 | 0 | 0 | 110.4 | V249 M250 E251 P255 S256 V257 | V249-N253 HydrophobicContact CG2-CB 4.2Å; M250-N253 HydrophobicContact CB-CB 4.35Å; M250-N253 VanDerWaalsContact O-CB 3.29Å; M250-N253 WeakPolarHBondContact O-CB 3.42Å; M250-N253 PolarHBondContact O-N 2.81Å; E251-N253 PolarHBondContact O-N 3.03Å; N253-P255 VanDerWaalsContact C-CD 3.42Å; N253-P255 VanDerWaalsContact C-N 3.31Å; N253-S256 PolarHBondContact ND2-OG 2.92Å; N253-S256 PolarHBondContact O-N 3.08Å; N253-S256 WeakPolarHBondContact OD1-CB 3.39Å; N253-S256 PolarHBondContact OD1-N 3.38Å; N253-S256 PolarHBondContact OD1-OG 3.22Å; N253-V257 WeakPolarHBondContact O-CG2 3.38Å; N253-V257 PolarHBondContact O-N 3.41Å | ||
| 254 | I | 96.7 | Very high | 95.2 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 54% | 0.538 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -49.8 | -44.4 | -177.8 | -53.5 | -56.6 | 0 | 0 | 0 | 112.5 | T252 S256 V257 T258 | T252-I254 PolarHBondContact O-N 3.47Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 3.4Å; I254-V257 PolarHBondContact O-N 2.97Å; I254-T258 WeakPolarHBondContact O-CB 3.34Å; I254-T258 PolarHBondContact O-N 2.69Å; I254-T258 PolarHBondContact O-OG1 2.94Å; I254-T258 VanDerWaalsContact O-OG1 3.05Å |
| 255 | P | 95.6 | Very high | 95.3 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 178.2 | -25.7 | 36.2 | 0 | 0 | 0 | 113.8 | N253 L259 | N253-P255 VanDerWaalsContact C-CD 3.42Å; N253-P255 VanDerWaalsContact C-N 3.31Å; P255-L259 WeakPolarHBondContact O-CB 3.32Å; P255-L259 PolarHBondContact O-N 3.32Å |
| 256 | S | 96.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74 | -38.4 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | N253 I254 L259 L260 | N253-S256 PolarHBondContact ND2-OG 2.92Å; N253-S256 PolarHBondContact O-N 3.08Å; N253-S256 WeakPolarHBondContact OD1-CB 3.39Å; N253-S256 PolarHBondContact OD1-N 3.38Å; N253-S256 PolarHBondContact OD1-OG 3.22Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 3.4Å; S256-L259 WeakPolarHBondContact O-CB 3.44Å; S256-L259 PolarHBondContact O-N 3.28Å; S256-L260 WeakPolarHBondContact O-CB 3.45Å; S256-L260 WeakPolarHBondContact O-CD1 3.32Å; S256-L260 VanDerWaalsContact O-CG 3.27Å; S256-L260 WeakPolarHBondContact O-CG 3.28Å; S256-L260 PolarHBondContact O-N 2.85Å |
| 257 | V | 97.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | V249 N253 I254 L259 L260 K261 F267 | V249-V257 HydrophobicContact CG1-CG2 4.04Å; V249-V257 HydrophobicContact CG2-CG2 3.88Å; N253-V257 WeakPolarHBondContact O-CG2 3.38Å; N253-V257 PolarHBondContact O-N 3.41Å; I254-V257 PolarHBondContact O-N 2.97Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 2.98Å; V257-L260 PolarHBondContact O-N 3.03Å; V257-K261 HydrophobicContact CG1-CD 4.23Å; V257-K261 WeakPolarHBondContact O-CG 3.29Å; V257-K261 PolarHBondContact O-N 2.8Å; V257-F267 HydrophobicContact CG1-CE1 4.28Å; V257-F267 HydrophobicContact CG1-CZ 4.08Å |
| 258 | T | 96.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | I254 K261 S262 | I254-T258 WeakPolarHBondContact O-CB 3.34Å; I254-T258 PolarHBondContact O-N 2.69Å; I254-T258 PolarHBondContact O-OG1 2.94Å; I254-T258 VanDerWaalsContact O-OG1 3.05Å; T258-K261 PolarHBondContact O-N 3.4Å; T258-S262 PolarHBondContact O-N 3.05Å |
| 259 | L | 95.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 176 | 173.6 | 63.6 | 0 | 0 | 0 | 111.5 | S227 R228 P255 S256 V257 K261 S262 M263 | S227-L259 WeakPolarHBondContact OG-CD2 3.43Å; R228-L259 HydrophobicContact CB-CD1 3.66Å; R228-L259 HydrophobicContact CG-CD1 4.13Å; P255-L259 WeakPolarHBondContact O-CB 3.32Å; P255-L259 PolarHBondContact O-N 3.32Å; S256-L259 WeakPolarHBondContact O-CB 3.44Å; S256-L259 PolarHBondContact O-N 3.28Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 2.98Å; L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 3.38Å; L259-S262 WeakPolarHBondContact O-CB 3.16Å; L259-S262 PolarHBondContact O-N 3.43Å; L259-S262 VanDerWaalsContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3Å; L259-M263 HydrophobicContact CD1-CG 4.31Å; L259-M263 HydrophobicContact CD1-SD 3.9Å; L259-M263 HydrophobicContact CG-SD 3.98Å; L259-M263 WeakPolarHBondContact O-CG 3.18Å; L259-M263 PolarHBondContact O-N 2.91Å; L259-M263 VanDerWaalsContact O-N 3.1Å |
| 260 | L | 95.9 | Very high | 95 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | -179.2 | -72.8 | 164.9 | 0 | 0 | 0 | 111.6 | V133 V249 S256 V257 S262 M263 N264 A265 F267 | V133-L260 HydrophobicContact CG1-CD1 4.16Å; V133-L260 HydrophobicContact CG2-CD1 4.01Å; V133-L260 HydrophobicContact CG2-CD2 4Å; V249-L260 HydrophobicContact CB-CD1 3.85Å; V249-L260 HydrophobicContact CG1-CD1 3.78Å; V249-L260 HydrophobicContact CG2-CD1 4.21Å; S256-L260 WeakPolarHBondContact O-CB 3.45Å; S256-L260 WeakPolarHBondContact O-CD1 3.32Å; S256-L260 VanDerWaalsContact O-CG 3.27Å; S256-L260 WeakPolarHBondContact O-CG 3.28Å; S256-L260 PolarHBondContact O-N 2.85Å; V257-L260 PolarHBondContact O-N 3.03Å; L260-S262 PolarHBondContact O-N 3.14Å; L260-M263 CarbonylContact O-C 3.44Å; L260-M263 PolarHBondContact O-N 2.94Å; L260-M263 VanDerWaalsContact O-N 3.08Å; L260-N264 PolarHBondContact O-N 2.87Å; L260-A265 HydrophobicContact CB-CB 3.87Å; L260-A265 HydrophobicContact CD2-CB 4.14Å; L260-A265 VanDerWaalsContact O-CB 3.23Å; L260-A265 WeakPolarHBondContact O-CB 3.44Å; L260-A265 PolarHBondContact O-N 2.88Å; L260-F267 HydrophobicContact CB-CE2 4.29Å; L260-F267 HydrophobicContact CB-CZ 3.95Å |
| 261 | K | 94.4 | Very high | 95 | Very high | 133 Ų | 133 | 64 Ų | 64 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | 173 | -72.3 | 177.6 | 177.3 | -178.9 | 0 | 112.2 | V257 T258 L259 M263 N264 F267 | V257-K261 HydrophobicContact CG1-CD 4.23Å; V257-K261 WeakPolarHBondContact O-CG 3.29Å; V257-K261 PolarHBondContact O-N 2.8Å; T258-K261 PolarHBondContact O-N 3.4Å; L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 3.38Å; K261-M263 PolarHBondContact O-N 2.93Å; K261-N264 PolarHBondContact O-N 2.76Å; K261-N264 VanDerWaalsContact O-N 3.09Å; K261-F267 HydrophobicContact CG-CE2 3.66Å; K261-F267 HydrophobicContact CG-CZ 4.05Å |
| 262 | S | 92.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.2 | -13.4 | 177.1 | 79.3 | 0 | 0 | 0 | 0 | 114.5 | R228 T258 L259 L260 | R228-S262 PolarHBondContact NH2-O 2.83Å; T258-S262 PolarHBondContact O-N 3.05Å; L259-S262 WeakPolarHBondContact O-CB 3.16Å; L259-S262 PolarHBondContact O-N 3.43Å; L259-S262 VanDerWaalsContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3Å; L260-S262 PolarHBondContact O-N 3.14Å |
| 263 | M | 92.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 12.7 | 175.6 | -68.1 | 176.9 | 51.8 | 0 | 0 | 112.3 | H135 P142 R228 A231 T232 L259 L260 K261 A265 | H135-M263 PolarHBondContact CE1-O 3.36Å; H135-M263 VanDerWaalsContact CE1-O 3.3Å; H135-M263 PolarHBondContact ND1-O 2.97Å; P142-M263 HydrophobicContact CG-CB 4.44Å; P142-M263 HydrophobicContact CG-CG 4.29Å; R228-M263 HydrophobicContact CG-CG 4.11Å; R228-M263 HydrophobicContact CG-SD 4.46Å; A231-M263 HydrophobicContact CB-CE 3.69Å; A231-M263 HydrophobicContact CB-SD 3.72Å; T232-M263 WeakPolarHBondContact OG1-CE 3.48Å; L259-M263 HydrophobicContact CD1-CG 4.31Å; L259-M263 HydrophobicContact CD1-SD 3.9Å; L259-M263 HydrophobicContact CG-SD 3.98Å; L259-M263 WeakPolarHBondContact O-CG 3.18Å; L259-M263 PolarHBondContact O-N 2.91Å; L259-M263 VanDerWaalsContact O-N 3.1Å; L260-M263 CarbonylContact O-C 3.44Å; L260-M263 PolarHBondContact O-N 2.94Å; L260-M263 VanDerWaalsContact O-N 3.08Å; K261-M263 PolarHBondContact O-N 2.93Å; M263-A265 PolarHBondContact O-N 3.32Å |
| 264 | N | 92.5 | Very high | 95.4 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 31.4 | -177.7 | -53.5 | -37 | 0 | 0 | 0 | 113 | T140 L260 K261 Q266 | T140-N264 PolarHBondContact O-ND2 2.85Å; L260-N264 PolarHBondContact O-N 2.87Å; K261-N264 PolarHBondContact O-N 2.76Å; K261-N264 VanDerWaalsContact O-N 3.09Å; N264-Q266 PolarHBondContact O-N 2.86Å |
| 265 | A | 95 | Very high | 95.5 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 132.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | V133 H135 L260 M263 F267 | V133-A265 HydrophobicContact CB-CB 4.38Å; H135-A265 VanDerWaalsContact CE1-CA 3.49Å; H135-A265 WeakPolarHBondContact CE1-CA 3.34Å; H135-A265 WeakPolarHBondContact CE1-CB 3.32Å; L260-A265 HydrophobicContact CB-CB 3.87Å; L260-A265 HydrophobicContact CD2-CB 4.14Å; L260-A265 VanDerWaalsContact O-CB 3.23Å; L260-A265 WeakPolarHBondContact O-CB 3.44Å; L260-A265 PolarHBondContact O-N 2.88Å; M263-A265 PolarHBondContact O-N 3.32Å; A265-F267 HydrophobicContact CB-CE2 4.47Å |
| 266 | Q | 95.6 | Very high | 95.6 | Very high | 103 Ų | 103 | 44 Ų | 44 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.1 | 168.9 | -175.6 | -178.3 | -3.6 | 0 | 0 | 108.8 | V133 I134 S136 N264 L268 | V133-Q266 VanDerWaalsContact CA-O 3.28Å; V133-Q266 WeakPolarHBondContact CA-O 3.39Å; I134-Q266 HydrophobicContact CG2-CB 4.05Å; I134-Q266 PolarHBondContact N-O 3.06Å; I134-Q266 WeakPolarHBondContact O-CB 3.48Å; I134-Q266 PolarHBondContact O-N 2.95Å; S136-Q266 PolarHBondContact OG-OE1 2.89Å; N264-Q266 PolarHBondContact O-N 2.86Å; Q266-L268 HydrophobicContact CG-CD2 4.27Å |
| 267 | F | 96.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.9 | 169.6 | -70.7 | -106.2 | 0 | 0 | 0 | 108.1 | Q131 V133 V249 V257 L260 K261 A265 | Q131-F267 HydrophobicContact CB-CD1 4.32Å; V133-F267 HydrophobicContact CG1-CD1 3.58Å; V133-F267 HydrophobicContact CG1-CD2 4.29Å; V133-F267 HydrophobicContact CG1-CE1 3.64Å; V133-F267 HydrophobicContact CG1-CE2 4.33Å; V133-F267 HydrophobicContact CG1-CG 3.92Å; V133-F267 HydrophobicContact CG1-CZ 4.02Å; V249-F267 HydrophobicContact CG1-CE1 4.11Å; V257-F267 HydrophobicContact CG1-CE1 4.28Å; V257-F267 HydrophobicContact CG1-CZ 4.08Å; L260-F267 HydrophobicContact CB-CE2 4.29Å; L260-F267 HydrophobicContact CB-CZ 3.95Å; K261-F267 HydrophobicContact CG-CE2 3.66Å; K261-F267 HydrophobicContact CG-CZ 4.05Å; A265-F267 HydrophobicContact CB-CE2 4.47Å |
| 268 | L | 96.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 150.8 | -176.2 | -61.3 | 176.5 | 0 | 0 | 0 | 110.5 | P22 L25 M132 I134 Q266 C270 | P22-L268 HydrophobicContact CB-CD1 3.61Å; P22-L268 HydrophobicContact CB-CD2 4.37Å; P22-L268 HydrophobicContact CB-CG 4.38Å; L25-L268 HydrophobicContact CD2-CD1 4.2Å; M132-L268 HydrophobicContact CB-CB 4.19Å; M132-L268 HydrophobicContact CB-CD1 4.25Å; M132-L268 HydrophobicContact CG-CB 4.44Å; M132-L268 HydrophobicContact CG-CD1 3.58Å; M132-L268 HydrophobicContact CG-CG 4.38Å; M132-L268 PolarHBondContact O-N 2.97Å; I134-L268 HydrophobicContact CB-CD1 4.41Å; I134-L268 HydrophobicContact CG2-CD1 4.08Å; I134-L268 HydrophobicContact CG2-CD2 3.71Å; I134-L268 HydrophobicContact CG2-CG 4.01Å; Q266-L268 HydrophobicContact CG-CD2 4.27Å; L268-C270 PolarHBondContact O-N 3.04Å |
| 269 | P | 93.5 | Very high | 95.7 | Very high | 131 Ų | 131 | 38.8 Ų | 38.8 | 85% | 0.851 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -18.5 | 178.8 | 28.8 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 270 | C | 93.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.7 | 176 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | P22 L268 | P22-C270 HydrophobicContact CG-CB 4.31Å; P22-C270 VanDerWaalsContact CG-SG 3.58Å; L268-C270 PolarHBondContact O-N 3.04Å |
| 271 | S | 94.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 146.7 | 171.3 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | L106 S129 | L106-S271 CarbonylContact C-O 3.58Å; L106-S271 VanDerWaalsContact CA-O 3.23Å; L106-S271 WeakPolarHBondContact CA-O 3.35Å; S129-S271 WeakPolarHBondContact OG-CB 3.02Å |
| 272 | F | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.5 | 164.5 | 167.6 | -100.7 | 0 | 0 | 0 | 109.8 | K26 Q104 L106 S129 F130 M132 N248 R274 | K26-F272 HydrophobicContact CD-CE2 4.17Å; Q104-F272 HydrophobicContact CB-CE2 3.87Å; Q104-F272 HydrophobicContact CB-CZ 4.14Å; Q104-F272 HydrophobicContact CG-CE2 4.19Å; Q104-F272 HydrophobicContact CG-CZ 3.93Å; L106-F272 HydrophobicContact CD1-CD2 4.13Å; S129-F272 CarbonylContact C-O 3.58Å; S129-F272 WeakPolarHBondContact CA-O 3.42Å; F130-F272 HydrophobicContact CB-CB 4.38Å; F130-F272 HydrophobicContact CB-CD1 3.98Å; F130-F272 AromaticContact CD2-CD1 3.51Å; F130-F272 HydrophobicContact CD2-CD1 3.51Å; F130-F272 AromaticContact CD2-CE1 3.86Å; F130-F272 HydrophobicContact CD2-CE1 3.86Å; F130-F272 HydrophobicContact CE2-CD1 4.37Å; F130-F272 HydrophobicContact CE2-CE1 4.3Å; F130-F272 HydrophobicContact CG-CD1 4.03Å; F130-F272 PolarHBondContact N-O 3.02Å; F130-F272 PolarHBondContact O-N 3.33Å; M132-F272 HydrophobicContact SD-CB 4.16Å; N248-F272 HydrophobicContact CB-CB 3.95Å; N248-F272 HydrophobicContact CB-CD1 3.86Å; N248-F272 HydrophobicContact CB-CG 3.97Å; F272-R274 HydrophobicContact CE1-CB 3.86Å; F272-R274 HydrophobicContact CZ-CB 4.09Å |
| 273 | F | 98.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.8 | 174.6 | -60.5 | -76.3 | 0 | 0 | 0 | 110.6 | Q104 G105 Q107 E108 I110 C111 | Q104-F273 WeakPolarHBondContact CA-O 3.34Å; G105-F273 PolarHBondContact N-O 3.27Å; G105-F273 VanDerWaalsContact N-O 3.13Å; G105-F273 PolarHBondContact O-N 3.01Å; Q107-F273 VanDerWaalsContact O-CD2 3.32Å; Q107-F273 WeakPolarHBondContact O-CD2 2.98Å; Q107-F273 WeakPolarHBondContact O-CE2 3.37Å; E108-F273 HydrophobicContact CG-CE2 4.34Å; E108-F273 HydrophobicContact CG-CZ 4.31Å; I110-F273 HydrophobicContact CG2-CB 4.45Å; C111-F273 VanDerWaalsContact SG-CD1 3.51Å |
| 274 | R | 97.6 | Very high | 94 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.7 | 165.8 | -179.3 | -177.1 | -176.4 | -125.9 | 0.9 | 108.4 | H70 Q104 S128 F130 F272 | H70-R274 PolarHBondContact CD2-NH2 3.48Å; H70-R274 PolarHBondContact NE2-NH2 2.88Å; Q104-R274 HydrophobicContact CG-CG 4.33Å; S128-R274 PolarHBondContact N-O 3.02Å; S128-R274 PolarHBondContact O-N 3.06Å; F130-R274 HydrophobicContact CE2-CB 4.42Å; F272-R274 HydrophobicContact CE1-CB 3.86Å; F272-R274 HydrophobicContact CZ-CB 4.09Å |
| 275 | V | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.1 | 178.1 | -170.6 | 0 | 0 | 0 | 0 | 107.9 | Q102 I103 I110 V125 K126 T127 H277 | Q102-V275 CarbonylContact C-O 3.57Å; Q102-V275 WeakPolarHBondContact CA-O 3.24Å; Q102-V275 WeakPolarHBondContact CB-O 3.41Å; I103-V275 HydrophobicContact CB-CB 4.49Å; I103-V275 PolarHBondContact N-O 3.14Å; I103-V275 PolarHBondContact O-N 3.18Å; I110-V275 HydrophobicContact CG2-CG2 3.88Å; V125-V275 HydrophobicContact CG1-CG1 3.32Å; K126-V275 CarbonylContact O-C 3.55Å; K126-V275 WeakPolarHBondContact O-CA 3.29Å; T127-V275 HydrophobicContact CG2-CG1 4.08Å; T127-V275 HydrophobicContact CG2-CG2 4.19Å; V275-H277 WeakPolarHBondContact CG1-CE1 3.45Å |
| 276 | I | 98.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.3 | 172.9 | -54.4 | 176 | 0 | 0 | 0 | 107.8 | I100 F101 Q102 V125 K126 | I100-I276 HydrophobicContact CG2-CG2 4.16Å; F101-I276 WeakPolarHBondContact O-CA 3.35Å; Q102-I276 HydrophobicContact CB-CG1 4.45Å; V125-I276 WeakPolarHBondContact CA-O 3.35Å; K126-I276 HydrophobicContact CB-CB 4.39Å; K126-I276 PolarHBondContact N-O 3.01Å; K126-I276 PolarHBondContact O-N 3.28Å |
| 277 | H | 98.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121 | 179.5 | -65 | 85.7 | 0 | 0 | 0 | 108.5 | W97 I100 F101 S114 V123 D124 V275 | W97-H277 AromaticContact CZ3-CD2 3.7Å; I100-H277 VanDerWaalsContact CA-O 3.32Å; I100-H277 WeakPolarHBondContact CA-O 3.49Å; I100-H277 WeakPolarHBondContact CG2-O 3.18Å; F101-H277 HydrophobicContact CD1-CB 3.9Å; F101-H277 HydrophobicContact CD2-CB 4.08Å; F101-H277 AromaticContact CD2-ND1 3.81Å; F101-H277 HydrophobicContact CE1-CB 3.5Å; F101-H277 VanDerWaalsContact CE1-CB 3.5Å; F101-H277 HydrophobicContact CE2-CB 3.7Å; F101-H277 AromaticContact CE2-CE1 3.88Å; F101-H277 AromaticContact CE2-CG 3.47Å; F101-H277 VanDerWaalsContact CE2-CG 3.47Å; F101-H277 AromaticContact CE2-ND1 3.28Å; F101-H277 VanDerWaalsContact CE2-ND1 3.28Å; F101-H277 WeakPolarHBondContact CE2-ND1 3.28Å; F101-H277 HydrophobicContact CG-CB 4.17Å; F101-H277 HydrophobicContact CZ-CB 3.38Å; F101-H277 AromaticContact CZ-CD2 3.93Å; F101-H277 AromaticContact CZ-CG 3.43Å; F101-H277 VanDerWaalsContact CZ-CG 3.43Å; F101-H277 AromaticContact CZ-ND1 3.78Å; F101-H277 PolarHBondContact N-O 2.86Å; F101-H277 VanDerWaalsContact N-O 3.12Å; F101-H277 PolarHBondContact O-N 3.05Å; S114-H277 WeakPolarHBondContact CB-NE2 3.48Å; V123-H277 HydrophobicContact CG1-CB 3.77Å; D124-H277 WeakPolarHBondContact O-CA 3.49Å; V275-H277 WeakPolarHBondContact CG1-CE1 3.45Å |
| 278 | T | 97.6 | Very high | 86.1 | Confident | 20 Ų | 20 | 59 Ų | 59 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 110.8 | -178.2 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | I100 D124 L280 F282 L283 | I100-T278 HydrophobicContact CD1-CG2 4.1Å; I100-T278 HydrophobicContact CG1-CG2 4.18Å; D124-T278 PolarHBondContact N-O 3.35Å; D124-T278 PolarHBondContact O-N 2.96Å; T278-L280 PolarHBondContact O-N 2.8Å; T278-F282 HydrophobicContact CG2-CB 4.23Å; T278-L283 HydrophobicContact CG2-CD2 3.66Å; T278-L283 HydrophobicContact CG2-CG 3.93Å |
| 279 | P | 96.6 | Very high | 85.6 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 133.4 | 171.9 | -28.9 | 34 | 0 | 0 | 0 | 112.2 | W97 Q99 V123 H281 F282 | W97-P279 VanDerWaalsContact O-CG 3.31Å; W97-P279 WeakPolarHBondContact O-CG 3.39Å; Q99-P279 VanDerWaalsContact O-CD 3.24Å; Q99-P279 WeakPolarHBondContact O-CD 3.46Å; Q99-P279 WeakPolarHBondContact O-CG 3.42Å; V123-P279 HydrophobicContact CG2-CB 4.35Å; V123-P279 HydrophobicContact CG2-CG 4.24Å; P279-H281 WeakPolarHBondContact CB-CE1 3.48Å; P279-H281 WeakPolarHBondContact CB-ND1 3.48Å; P279-H281 PolarHBondContact O-N 2.88Å; P279-H281 VanDerWaalsContact O-N 3.08Å; P279-F282 HydrophobicContact CB-CD2 3.74Å; P279-F282 HydrophobicContact CB-CE2 4.08Å; P279-F282 HydrophobicContact CG-CD2 3.8Å; P279-F282 HydrophobicContact CG-CE2 3.86Å; P279-F282 WeakPolarHBondContact O-CB 3.5Å; P279-F282 PolarHBondContact O-N 3.17Å |
| 280 | L | 94.7 | Very high | 85.2 | Confident | 84 Ų | 84 | 57 Ų | 57 | 44% | 0.44 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -30.9 | -172 | -70.8 | 179.4 | 0 | 0 | 0 | 113.1 | Q122 D124 T278 F282 L283 A284 | Q122-L280 HydrophobicContact CB-CD1 4.09Å; Q122-L280 VanDerWaalsContact O-CG 3.26Å; Q122-L280 WeakPolarHBondContact O-CG 3.49Å; Q122-L280 PolarHBondContact O-N 2.72Å; D124-L280 HydrophobicContact CB-CD2 4.03Å; T278-L280 PolarHBondContact O-N 2.8Å; L280-F282 PolarHBondContact O-N 3.26Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 3.36Å; L280-L283 VanDerWaalsContact O-N 3.1Å; L280-A284 PolarHBondContact O-N 3.27Å |
| 281 | H | 90.8 | Very high | 84.7 | Confident | 110 Ų | 110 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -19.4 | 177.9 | 67.8 | -92 | 0 | 0 | 0 | 113.8 | P279 | P279-H281 WeakPolarHBondContact CB-CE1 3.48Å; P279-H281 WeakPolarHBondContact CB-ND1 3.48Å; P279-H281 PolarHBondContact O-N 2.88Å; P279-H281 VanDerWaalsContact O-N 3.08Å |
| 282 | F | 91.3 | Very high | 84.1 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.4 | -29.4 | 171.3 | -66.4 | -48.9 | 0 | 0 | 0 | 112.5 | N67 L68 G98 I100 T278 P279 L280 A284 K285 | N67-F282 HydrophobicContact CB-CZ 4.26Å; L68-F282 HydrophobicContact CD2-CD1 3.59Å; L68-F282 HydrophobicContact CD2-CD2 4.17Å; L68-F282 HydrophobicContact CD2-CE1 3.65Å; L68-F282 HydrophobicContact CD2-CE2 4.21Å; L68-F282 HydrophobicContact CD2-CG 3.88Å; L68-F282 HydrophobicContact CD2-CZ 3.97Å; G98-F282 WeakPolarHBondContact O-CE2 3.47Å; I100-F282 HydrophobicContact CD1-CB 4.33Å; I100-F282 HydrophobicContact CD1-CD2 4.21Å; I100-F282 HydrophobicContact CD1-CG 4.42Å; I100-F282 HydrophobicContact CG1-CD2 3.68Å; I100-F282 HydrophobicContact CG1-CE2 4.16Å; I100-F282 HydrophobicContact CG1-CG 4.37Å; T278-F282 HydrophobicContact CG2-CB 4.23Å; P279-F282 HydrophobicContact CB-CD2 3.74Å; P279-F282 HydrophobicContact CB-CE2 4.08Å; P279-F282 HydrophobicContact CG-CD2 3.8Å; P279-F282 HydrophobicContact CG-CE2 3.86Å; P279-F282 WeakPolarHBondContact O-CB 3.5Å; P279-F282 PolarHBondContact O-N 3.17Å; L280-F282 PolarHBondContact O-N 3.26Å; F282-A284 PolarHBondContact O-N 2.9Å; F282-K285 CarbonylContact O-C 3.52Å; F282-K285 PolarHBondContact O-N 3.16Å; F282-K285 VanDerWaalsContact O-N 3.1Å |
| 283 | L | 84.5 | Confident | 83.3 | Confident | 88 Ų | 88 | 64 Ų | 64 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.5 | -29 | 176.4 | -64.4 | 179.7 | 0 | 0 | 0 | 112.6 | D124 T278 L280 K285 | D124-L283 HydrophobicContact CB-CD1 3.67Å; T278-L283 HydrophobicContact CG2-CD2 3.66Å; T278-L283 HydrophobicContact CG2-CG 3.93Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 3.36Å; L280-L283 VanDerWaalsContact O-N 3.1Å; L283-K285 PolarHBondContact O-N 3.13Å |
| 284 | A | 72.3 | Confident | 82.3 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 70% | 0.702 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L280 F282 | L280-A284 PolarHBondContact O-N 3.27Å; F282-A284 PolarHBondContact O-N 2.9Å |
| 285 | K | 63.5 | Low | 81.2 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | trans | -129.7 | 73 | 179.8 | -64.2 | -175 | -178.4 | -179.4 | 0 | 110.6 | F282 L283 H287 L288 | F282-K285 CarbonylContact O-C 3.52Å; F282-K285 PolarHBondContact O-N 3.16Å; F282-K285 VanDerWaalsContact O-N 3.1Å; L283-K285 PolarHBondContact O-N 3.13Å; K285-H287 PolarHBondContact O-N 3.25Å; K285-L288 HydrophobicContact CB-CD1 3.84Å; K285-L288 HydrophobicContact CB-CG 4.46Å; K285-L288 HydrophobicContact CD-CD1 3.66Å; K285-L288 HydrophobicContact CG-CD1 4.41Å; K285-L288 PolarHBondContact O-N 3.09Å | ||
| 286 | P | 52.9 | Low | 79.9 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 66% | 0.656 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -2.8 | -171.9 | 24.5 | -33.4 | 0 | 0 | 0 | 115.6 | ||
| 287 | H | 51 | Low | 78.4 | Confident | 186 Ų | 186 | 80.2 Ų | 80.2 | 86% | 0.861 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9.6 | -178.7 | -58.7 | -56.4 | 0 | 0 | 0 | 114.4 | K285 | K285-H287 PolarHBondContact O-N 3.25Š|
| 288 | L | 47.2 | Very low | 76.6 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 63% | 0.634 | 47% | 0.465 | S | S | * | . | trans | -102.4 | 0 | 173.8 | -76.8 | 169.7 | 0 | 0 | 0 | 111.4 | L68 R176 K285 | L68-L288 HydrophobicContact CD1-CB 3.97Å; R176-L288 VanDerWaalsContact CZ-O 3.27Å; R176-L288 PolarHBondContact NH1-O 3.19Å; R176-L288 PolarHBondContact NH2-O 3.17Å; K285-L288 HydrophobicContact CB-CD1 3.84Å; K285-L288 HydrophobicContact CB-CG 4.46Å; K285-L288 HydrophobicContact CD-CD1 3.66Å; K285-L288 HydrophobicContact CG-CD1 4.41Å; K285-L288 PolarHBondContact O-N 3.09Å |
Retrieved 288 of 288 residues in 2031.6 ms
(Link to these results)