| 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 | 95.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 81.5 Ų | 81.5 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | 0 | -63.4 | 0 | -164.8 | 171.2 | -172.1 | 0 | 0 | 113.7 | N3 T4 L5 W13 A89 D91 | M1-N3 PolarHBondContact O-N 2.57Å; M1-T4 WeakPolarHBondContact O-CA 3.43Å; M1-T4 VanDerWaalsContact O-CB 3.28Å; M1-T4 WeakPolarHBondContact O-CB 3.16Å; M1-T4 PolarHBondContact O-N 3.39Å; M1-L5 HydrophobicContact CE-CD1 4.23Å; M1-L5 HydrophobicContact CG-CD1 4.04Å; M1-L5 HydrophobicContact CG-CG 4.26Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-W13 HydrophobicContact CE-CZ2 4.34Å; M1-W13 HydrophobicContact CG-CZ2 4.12Å; M1-W13 HydrophobicContact SD-CZ2 3.69Å; M1-A89 HydrophobicContact CE-CB 3.79Å; M1-D91 HydrophobicContact SD-CB 4.44Å | |||
| 2 | C | 96.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 81.9 Ų | 81.9 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -48 | -51.2 | -177.6 | 167.2 | 0 | 0 | 0 | 0 | 113.8 | T4 L5 R6 W13 C33 | C2-T4 PolarHBondContact O-N 3.35Å; C2-T4 VanDerWaalsContact O-N 3.14Å; C2-L5 PolarHBondContact O-N 2.84Å; C2-R6 WeakPolarHBondContact O-CG 3.23Å; C2-R6 PolarHBondContact O-N 3.39Å; C2-W13 HydrophobicContact CB-CH2 4.44Å; C2-W13 HydrophobicContact CB-CZ3 4.19Å; C2-C33 HydrophobicContact CB-CB 4.16Å; C2-C33 WeakPolarHBondContact CB-SG 3.38Å; C2-C33 WeakPolarHBondContact SG-CA 3.2Å; C2-C33 WeakPolarHBondContact SG-CB 3.19Å; C2-C33 CovalentContact SG-SG 2.03Å; C2-C33 PolarHBondContact SG-SG 3.46Å |
| 3 | N | 96.5 | Very high | 96.8 | Very high | 121 Ų | 121 | 77.9 Ų | 77.9 | 65% | 0.647 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55 | -34.2 | 177.7 | -72.4 | -20.1 | 0 | 0 | 0 | 113.4 | M1 N7 | M1-N3 PolarHBondContact O-N 2.57Å; N3-N7 PolarHBondContact O-ND2 3.11Å |
| 4 | T | 97.3 | Very high | 97 | Very high | 39 Ų | 39 | 75.4 Ų | 75.4 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.7 | -49.7 | 174.4 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | M1 C2 R6 N7 L97 F100 | M1-T4 WeakPolarHBondContact O-CA 3.43Å; M1-T4 VanDerWaalsContact O-CB 3.28Å; M1-T4 WeakPolarHBondContact O-CB 3.16Å; M1-T4 PolarHBondContact O-N 3.39Å; C2-T4 PolarHBondContact O-N 3.35Å; C2-T4 VanDerWaalsContact O-N 3.14Å; T4-R6 VanDerWaalsContact C-N 3.31Å; T4-R6 PolarHBondContact O-N 3.26Å; T4-N7 PolarHBondContact O-N 2.87Å; T4-L97 HydrophobicContact CG2-CD2 3.74Å; T4-L97 WeakPolarHBondContact O-CD2 3.15Å; T4-F100 HydrophobicContact CG2-CE2 4.21Å |
| 5 | L | 97.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.7 | -32.9 | -175.3 | -58.2 | -175.4 | 0 | 0 | 0 | 112.9 | M1 C2 N7 L8 I11 W13 V35 F100 | M1-L5 HydrophobicContact CE-CD1 4.23Å; M1-L5 HydrophobicContact CG-CD1 4.04Å; M1-L5 HydrophobicContact CG-CG 4.26Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å; C2-L5 PolarHBondContact O-N 2.84Å; L5-N7 PolarHBondContact O-N 2.97Å; L5-N7 VanDerWaalsContact O-N 3.07Å; L5-L8 HydrophobicContact CD2-CD1 4.11Å; L5-L8 WeakPolarHBondContact O-CB 3.42Å; L5-L8 PolarHBondContact O-N 3.13Å; L5-I11 HydrophobicContact CB-CD1 4.36Å; L5-I11 HydrophobicContact CD2-CD1 3.8Å; L5-I11 HydrophobicContact CG-CD1 4.49Å; L5-W13 HydrophobicContact CD1-CB 4.2Å; L5-W13 HydrophobicContact CD1-CD2 3.56Å; L5-W13 HydrophobicContact CD1-CE3 4.01Å; L5-W13 HydrophobicContact CD1-CG 3.66Å; L5-W13 HydrophobicContact CD1-CZ2 4.44Å; L5-V35 HydrophobicContact CB-CG1 4.4Å; L5-V35 HydrophobicContact CB-CG2 4.06Å; L5-F100 HydrophobicContact CD2-CE1 4.17Å; L5-F100 HydrophobicContact CD2-CZ 4.07Å |
| 6 | R | 96.5 | Very high | 97.2 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.7 | 175.2 | -78.1 | -179.7 | 62.6 | 167.6 | -4.3 | 114.7 | C2 T4 L8 C33 V35 | C2-R6 WeakPolarHBondContact O-CG 3.23Å; C2-R6 PolarHBondContact O-N 3.39Å; T4-R6 VanDerWaalsContact C-N 3.31Å; T4-R6 PolarHBondContact O-N 3.26Å; R6-L8 VanDerWaalsContact C-N 3.31Å; R6-C33 WeakPolarHBondContact CD-O 3.24Å; R6-C33 WeakPolarHBondContact CG-O 3.36Å; R6-V35 HydrophobicContact CB-CG2 4.23Å; R6-V35 HydrophobicContact CG-CG2 3.58Å |
| 7 | N | 97.2 | Very high | 97.2 | Very high | 114 Ų | 114 | 67.1 Ų | 67.1 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.3 | 179.5 | -70.8 | -81.7 | 0 | 0 | 0 | 113.1 | N3 T4 L5 L97 | N3-N7 PolarHBondContact O-ND2 3.11Å; T4-N7 PolarHBondContact O-N 2.87Å; L5-N7 PolarHBondContact O-N 2.97Å; L5-N7 VanDerWaalsContact O-N 3.07Å; N7-L97 HydrophobicContact CB-CD1 3.71Å; N7-L97 HydrophobicContact CB-CD2 3.86Å; N7-L97 HydrophobicContact CB-CG 4.47Å |
| 8 | L | 96.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | trans | -105.3 | 140.4 | -176.4 | -57 | 173.4 | 0 | 0 | 0 | 110.7 | L5 R6 I11 L97 F100 | L5-L8 HydrophobicContact CD2-CD1 4.11Å; L5-L8 WeakPolarHBondContact O-CB 3.42Å; L5-L8 PolarHBondContact O-N 3.13Å; R6-L8 VanDerWaalsContact C-N 3.31Å; L8-I11 HydrophobicContact CB-CB 4.34Å; L8-I11 HydrophobicContact CB-CD1 4.29Å; L8-I11 HydrophobicContact CB-CG2 4.12Å; L8-I11 HydrophobicContact CD1-CD1 3.55Å; L8-L97 HydrophobicContact CD2-CD2 3.98Å; L8-L97 HydrophobicContact CG-CD2 4.35Å; L8-F100 HydrophobicContact CD1-CB 3.79Å; L8-F100 HydrophobicContact CD1-CD1 3.54Å; L8-F100 HydrophobicContact CD1-CD2 3.62Å; L8-F100 HydrophobicContact CD1-CE1 3.93Å; L8-F100 HydrophobicContact CD1-CE2 4Å; L8-F100 HydrophobicContact CD1-CG 3.36Å; L8-F100 HydrophobicContact CD1-CZ 4.14Å; L8-F100 HydrophobicContact CD2-CB 3.64Å; L8-F100 HydrophobicContact CD2-CD2 4Å; L8-F100 HydrophobicContact CD2-CG 3.96Å; L8-F100 HydrophobicContact CG-CB 4.36Å; L8-F100 HydrophobicContact CG-CD2 4.43Å; L8-F100 HydrophobicContact CG-CG 4.31Å | ||
| 9 | K | 95.5 | Very high | 97.2 | Very high | 165 Ų | 165 | 65.8 Ų | 65.8 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -88 | 158.3 | 168.8 | -63.9 | -176.2 | 179.9 | -178.8 | 0 | 110.5 | I11 R104 | K9-I11 VanDerWaalsContact C-N 3.29Å; K9-I11 PolarHBondContact O-N 3.36Å; K9-R104 PolarHBondContact O-NH1 3.36Å; K9-R104 PolarHBondContact O-NH2 3.31Å |
| 10 | D | 96.2 | Very high | 97.2 | Very high | 157 Ų | 157 | 68.3 Ų | 68.3 | 84% | 0.84 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 48.6 | 50.3 | 172.4 | -52.6 | -48.4 | 0 | 0 | 0 | 112.9 | R104 | D10-R104 PolarHBondContact O-NH1 3.03Š|
| 11 | I | 97.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.205 | 36% | 0.364 | C | S | . | . | trans | -117.5 | 140.7 | 178.1 | -171.8 | 162.6 | 0 | 0 | 0 | 110 | L5 L8 K9 V35 | L5-I11 HydrophobicContact CB-CD1 4.36Å; L5-I11 HydrophobicContact CD2-CD1 3.8Å; L5-I11 HydrophobicContact CG-CD1 4.49Å; L8-I11 HydrophobicContact CB-CB 4.34Å; L8-I11 HydrophobicContact CB-CD1 4.29Å; L8-I11 HydrophobicContact CB-CG2 4.12Å; L8-I11 HydrophobicContact CD1-CD1 3.55Å; K9-I11 VanDerWaalsContact C-N 3.29Å; K9-I11 PolarHBondContact O-N 3.36Å; I11-V35 HydrophobicContact CG2-CG1 3.95Å | ||
| 12 | L | 98.1 | Very high | 97.3 | Very high | 86 Ų | 86 | 71.6 Ų | 71.6 | 45% | 0.45 | 37% | 0.369 | S | S | . | . | trans | -121.8 | 117.1 | 169.3 | 179.5 | 66.4 | 0 | 0 | 0 | 108.2 | I14 P36 V38 W72 | L12-I14 HydrophobicContact CD2-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.41Å; L12-P36 HydrophobicContact CD1-CB 4.29Å; L12-V38 HydrophobicContact CD1-CG2 4.08Å; L12-V38 HydrophobicContact CD2-CG2 4.16Å; L12-V38 HydrophobicContact CG-CG2 4.3Å; L12-W72 HydrophobicContact CD2-CH2 3.66Å; L12-W72 HydrophobicContact CD2-CZ3 3.82Å | ||
| 13 | W | 98.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 11% | 0.114 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.4 | 178.6 | -172.3 | 17.9 | 0 | 0 | 0 | 110.8 | M1 C2 L5 L15 L30 V35 P36 F37 V38 | M1-W13 HydrophobicContact CE-CZ2 4.34Å; M1-W13 HydrophobicContact CG-CZ2 4.12Å; M1-W13 HydrophobicContact SD-CZ2 3.69Å; C2-W13 HydrophobicContact CB-CH2 4.44Å; C2-W13 HydrophobicContact CB-CZ3 4.19Å; L5-W13 HydrophobicContact CD1-CB 4.2Å; L5-W13 HydrophobicContact CD1-CD2 3.56Å; L5-W13 HydrophobicContact CD1-CE3 4.01Å; L5-W13 HydrophobicContact CD1-CG 3.66Å; L5-W13 HydrophobicContact CD1-CZ2 4.44Å; W13-L15 HydrophobicContact CH2-CD1 3.93Å; W13-L15 HydrophobicContact CZ2-CD1 3.63Å; W13-L15 PolarHBondContact O-N 3.03Å; W13-L30 HydrophobicContact CD2-CD2 4.23Å; W13-L30 HydrophobicContact CE3-CD2 3.54Å; W13-L30 HydrophobicContact CH2-CD2 4Å; W13-L30 HydrophobicContact CZ3-CD2 3.41Å; W13-L30 VanDerWaalsContact CZ3-CD2 3.41Å; W13-V35 HydrophobicContact CB-CG1 4.04Å; W13-P36 PolarHBondContact N-O 3.25Å; W13-F37 HydrophobicContact CB-CB 4.33Å; W13-F37 CarbonylContact O-C 3.46Å; W13-F37 WeakPolarHBondContact O-CA 3.43Å; W13-F37 WeakPolarHBondContact O-CB 3.5Å; W13-V38 PolarHBondContact O-N 2.97Å |
| 14 | I | 98.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 74 Ų | 74 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.7 | 172 | -55.6 | 173 | 0 | 0 | 0 | 107.7 | L12 V16 V38 L40 W72 L73 | L12-I14 HydrophobicContact CD2-CG1 4.44Å; L12-I14 HydrophobicContact CG-CG1 4.41Å; I14-V16 HydrophobicContact CG2-CG2 4.1Å; I14-V38 HydrophobicContact CB-CB 4.48Å; I14-V38 HydrophobicContact CG1-CB 4.16Å; I14-V38 HydrophobicContact CG1-CG2 4.15Å; I14-V38 HydrophobicContact CG2-CB 4.33Å; I14-L40 HydrophobicContact CG2-CD1 3.98Å; I14-W72 HydrophobicContact CD1-CD2 4.37Å; I14-W72 HydrophobicContact CD1-CE3 3.47Å; I14-W72 VanDerWaalsContact CD1-CE3 3.47Å; I14-W72 HydrophobicContact CD1-CZ3 3.72Å; I14-W72 HydrophobicContact CG1-CE3 4.3Å; I14-W72 HydrophobicContact CG1-CZ3 4.4Å; I14-L73 HydrophobicContact CD1-CD2 3.7Å; I14-L73 HydrophobicContact CD1-CG 4.08Å |
| 15 | L | 98.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.9 | 175.9 | -173.5 | 153.6 | 0 | 0 | 0 | 109.1 | W13 E17 V26 L30 V38 L40 | W13-L15 HydrophobicContact CH2-CD1 3.93Å; W13-L15 HydrophobicContact CZ2-CD1 3.63Å; W13-L15 PolarHBondContact O-N 3.03Å; L15-E17 HydrophobicContact CD2-CG 3.64Å; L15-V26 HydrophobicContact CD1-CG1 3.94Å; L15-V26 HydrophobicContact CD2-CG1 3.51Å; L15-V26 HydrophobicContact CG-CG1 4.42Å; L15-L30 HydrophobicContact CB-CD1 4.29Å; L15-L30 HydrophobicContact CB-CD2 4.32Å; L15-L30 HydrophobicContact CD1-CD1 4.26Å; L15-L30 HydrophobicContact CD1-CD2 3.95Å; L15-L30 HydrophobicContact CD1-CG 4.31Å; L15-L30 HydrophobicContact CD2-CD1 4.43Å; L15-V38 PolarHBondContact N-O 2.71Å; L15-L40 PolarHBondContact O-N 3.36Å |
| 16 | V | 98.7 | Very high | 96.7 | Very high | 30 Ų | 30 | 74.8 Ų | 74.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 108.5 | 179.2 | -167 | 0 | 0 | 0 | 0 | 110.3 | I14 L40 I42 Q65 L68 | I14-V16 HydrophobicContact CG2-CG2 4.1Å; V16-L40 CarbonylContact C-O 3.52Å; V16-L40 VanDerWaalsContact CA-O 3.32Å; V16-L40 WeakPolarHBondContact CA-O 2.92Å; V16-L40 HydrophobicContact CB-CB 4.42Å; V16-L40 HydrophobicContact CG1-CB 4.07Å; V16-L40 HydrophobicContact CG2-CB 4.11Å; V16-L40 HydrophobicContact CG2-CD1 4.19Å; V16-I42 HydrophobicContact CG1-CG2 3.95Å; V16-Q65 HydrophobicContact CB-CB 3.91Å; V16-Q65 HydrophobicContact CB-CG 4.41Å; V16-Q65 HydrophobicContact CG1-CB 3.77Å; V16-Q65 HydrophobicContact CG1-CG 3.97Å; V16-L68 HydrophobicContact CG1-CB 4.32Å; V16-L68 HydrophobicContact CG1-CD2 3.93Å; V16-L68 HydrophobicContact CG1-CG 4.47Å |
| 17 | E | 98.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 69.1 Ų | 69.1 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143.8 | 179.2 | -66 | -173.6 | 88 | 0 | 0 | 112.2 | L15 S19 P22 S23 V26 H39 L40 N41 I42 | L15-E17 HydrophobicContact CD2-CG 3.64Å; E17-S19 WeakPolarHBondContact CB-OG 3.42Å; E17-S19 PolarHBondContact O-N 3.28Å; E17-S19 VanDerWaalsContact O-N 3.15Å; E17-P22 WeakPolarHBondContact OE2-CA 3.17Å; E17-S23 VanDerWaalsContact OE1-CB 3.3Å; E17-S23 WeakPolarHBondContact OE1-CB 3.48Å; E17-S23 PolarHBondContact OE1-N 3.3Å; E17-S23 PolarHBondContact OE1-OG 3.11Å; E17-S23 PolarHBondContact OE2-N 2.76Å; E17-V26 HydrophobicContact CG-CB 4.29Å; E17-V26 HydrophobicContact CG-CG1 3.94Å; E17-V26 HydrophobicContact CG-CG2 4.23Å; E17-V26 WeakPolarHBondContact OE1-CB 3.48Å; E17-V26 WeakPolarHBondContact OE1-CG2 3.29Å; E17-H39 IonicContact OE2-CD2 3.16Å; E17-H39 IonicContact OE2-CE1 3.41Å; E17-H39 PolarHBondContact OE2-CE1 3.14Å; E17-H39 IonicContact OE2-NE2 2.67Å; E17-H39 PolarHBondContact OE2-NE2 3.27Å; E17-L40 PolarHBondContact N-O 2.77Å; E17-N41 HydrophobicContact CB-CB 4.03Å; E17-N41 WeakPolarHBondContact O-CA 3.16Å; E17-I42 PolarHBondContact O-N 3.1Å |
| 18 | D | 97.5 | Very high | 96.5 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -84.5 | 68 | 166.3 | -170.3 | -11.1 | 0 | 0 | 0 | 110.1 | I42 T44 Q65 | D18-I42 WeakPolarHBondContact CA-O 3.14Å; D18-T44 WeakPolarHBondContact OD1-CB 3.09Å; D18-T44 PolarHBondContact OD1-N 3.32Å; D18-T44 PolarHBondContact OD1-OG1 3.07Å; D18-T44 WeakPolarHBondContact OD2-CB 3.48Å; D18-T44 PolarHBondContact OD2-OG1 3.48Å; D18-Q65 HydrophobicContact CB-CG 4.47Å |
| 19 | S | 97.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -146.9 | 156.5 | -175.1 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | E17 E21 N41 I42 P43 | E17-S19 WeakPolarHBondContact CB-OG 3.42Å; E17-S19 PolarHBondContact O-N 3.28Å; E17-S19 VanDerWaalsContact O-N 3.15Å; S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 VanDerWaalsContact CB-O 3.26Å; S19-E21 WeakPolarHBondContact CB-O 3.36Å; S19-E21 PolarHBondContact OG-O 3.22Å; S19-N41 PolarHBondContact O-ND2 3.37Å; S19-I42 CarbonylContact O-C 3.58Å; S19-P43 VanDerWaalsContact O-CD 3.3Å; S19-P43 WeakPolarHBondContact O-CD 3.04Å |
| 20 | T | 97.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 71% | 0.712 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.6 | -28.9 | 174.8 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | N41 P43 | T20-N41 PolarHBondContact O-ND2 3.36Å; T20-P43 HydrophobicContact CG2-CB 4.09Å; T20-P43 HydrophobicContact CG2-CG 4.06Å |
| 21 | E | 97 | Very high | 96.4 | Very high | 140 Ų | 140 | 59.5 Ų | 59.5 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -142.4 | 154 | 177.7 | 61.6 | -169.8 | -174.3 | 0 | 0 | 110.1 | S19 S23 N41 | S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 VanDerWaalsContact CB-O 3.26Å; S19-E21 WeakPolarHBondContact CB-O 3.36Å; S19-E21 PolarHBondContact OG-O 3.22Å; E21-S23 PolarHBondContact O-N 3.19Å; E21-N41 WeakPolarHBondContact CA-ND2 3.44Å; E21-N41 PolarHBondContact N-ND2 2.93Å |
| 22 | P | 96 | Very high | 96.2 | Very high | 63 Ų | 63 | 63 Ų | 63 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | trans | -58.6 | 132.3 | 175.2 | -23.1 | 34.4 | 0 | 0 | 0 | 111.4 | E17 N41 | E17-P22 WeakPolarHBondContact OE2-CA 3.17Å; P22-N41 WeakPolarHBondContact CD-OD1 3.5Å; P22-N41 HydrophobicContact CG-CB 4.48Å; P22-N41 WeakPolarHBondContact CG-OD1 3.49Å | ||
| 23 | S | 95 | Very high | 96.1 | Very high | 38 Ų | 38 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | trans | -80.5 | 148 | 178.6 | 71 | 0 | 0 | 0 | 0 | 111.4 | E17 E21 V25 V26 S27 | E17-S23 VanDerWaalsContact OE1-CB 3.3Å; E17-S23 WeakPolarHBondContact OE1-CB 3.48Å; E17-S23 PolarHBondContact OE1-N 3.3Å; E17-S23 PolarHBondContact OE1-OG 3.11Å; E17-S23 PolarHBondContact OE2-N 2.76Å; E21-S23 PolarHBondContact O-N 3.19Å; S23-V25 VanDerWaalsContact C-N 3.27Å; S23-V25 PolarHBondContact O-N 2.91Å; S23-V26 WeakPolarHBondContact OG-CB 3.27Å; S23-V26 VanDerWaalsContact OG-CG2 3.28Å; S23-V26 WeakPolarHBondContact OG-CG2 3.32Å; S23-V26 PolarHBondContact OG-N 2.96Å; S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.83Å; S23-S27 PolarHBondContact O-OG 2.85Å | ||
| 24 | W | 93.4 | Very high | 95.9 | Very high | 155 Ų | 155 | 61 Ų | 61 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 174.7 | 175.3 | 84.6 | 0 | 0 | 0 | 111.5 | S27 N28 D233 | W24-S27 WeakPolarHBondContact O-CB 3.48Å; W24-S27 PolarHBondContact O-N 3.23Å; W24-N28 HydrophobicContact CZ2-CB 4.37Å; W24-N28 WeakPolarHBondContact O-CB 3.4Å; W24-N28 PolarHBondContact O-N 3.43Å; W24-D233 WeakPolarHBondContact CH2-O 3.31Å; W24-D233 WeakPolarHBondContact CZ3-O 3.49Å |
| 25 | V | 92.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -52.1 | -179.2 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | S23 N28 I29 P236 | S23-V25 VanDerWaalsContact C-N 3.27Å; S23-V25 PolarHBondContact O-N 2.91Å; V25-N28 PolarHBondContact O-N 3.31Å; V25-I29 HydrophobicContact CG1-CD1 4.05Å; V25-I29 WeakPolarHBondContact O-CG1 3.37Å; V25-I29 PolarHBondContact O-N 2.93Å; V25-P236 HydrophobicContact CG1-CB 4.23Å; V25-P236 HydrophobicContact CG2-CB 3.91Å |
| 26 | V | 95.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | -179.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L15 E17 S23 N28 I29 L30 | L15-V26 HydrophobicContact CD1-CG1 3.94Å; L15-V26 HydrophobicContact CD2-CG1 3.51Å; L15-V26 HydrophobicContact CG-CG1 4.42Å; E17-V26 HydrophobicContact CG-CB 4.29Å; E17-V26 HydrophobicContact CG-CG1 3.94Å; E17-V26 HydrophobicContact CG-CG2 4.23Å; E17-V26 WeakPolarHBondContact OE1-CB 3.48Å; E17-V26 WeakPolarHBondContact OE1-CG2 3.29Å; S23-V26 WeakPolarHBondContact OG-CB 3.27Å; S23-V26 VanDerWaalsContact OG-CG2 3.28Å; S23-V26 WeakPolarHBondContact OG-CG2 3.32Å; S23-V26 PolarHBondContact OG-N 2.96Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 3.28Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.3Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 WeakPolarHBondContact O-CG 3.13Å; V26-L30 PolarHBondContact O-N 3.02Å |
| 27 | S | 95.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.6 | -46 | 174.6 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | S23 W24 L30 N31 H39 | S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.83Å; S23-S27 PolarHBondContact O-OG 2.85Å; W24-S27 WeakPolarHBondContact O-CB 3.48Å; W24-S27 PolarHBondContact O-N 3.23Å; S27-L30 PolarHBondContact O-N 2.89Å; S27-N31 WeakPolarHBondContact O-CB 3.44Å; S27-N31 VanDerWaalsContact O-CG 3.26Å; S27-N31 PolarHBondContact O-N 3.09Å; S27-N31 PolarHBondContact O-ND2 2.97Å; S27-H39 PolarHBondContact OG-CE1 3.31Å; S27-H39 VanDerWaalsContact OG-CE1 3.29Å |
| 28 | N | 93.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | -179.9 | -164.3 | 70.4 | 0 | 0 | 0 | 111.5 | W24 V25 V26 L30 N31 D32 | W24-N28 HydrophobicContact CZ2-CB 4.37Å; W24-N28 WeakPolarHBondContact O-CB 3.4Å; W24-N28 PolarHBondContact O-N 3.43Å; V25-N28 PolarHBondContact O-N 3.31Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 3.28Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.23Å; N28-N31 PolarHBondContact O-N 3.29Å; N28-D32 PolarHBondContact ND2-OD2 3.49Å; N28-D32 VanDerWaalsContact ND2-OD2 3.11Å; N28-D32 PolarHBondContact O-N 2.96Å |
| 29 | I | 93.9 | Very high | 95.9 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 176.4 | -69 | 167.5 | 0 | 0 | 0 | 111.5 | V25 V26 D32 C33 | V25-I29 HydrophobicContact CG1-CD1 4.05Å; V25-I29 WeakPolarHBondContact O-CG1 3.37Å; V25-I29 PolarHBondContact O-N 2.93Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-D32 PolarHBondContact O-N 3.31Å; I29-C33 VanDerWaalsContact O-CB 3.28Å; I29-C33 WeakPolarHBondContact O-CB 3.35Å; I29-C33 PolarHBondContact O-N 2.88Å |
| 30 | L | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | -179.8 | -74.2 | 174.1 | 0 | 0 | 0 | 111.9 | W13 L15 V26 S27 N28 D32 C33 F37 H39 | W13-L30 HydrophobicContact CD2-CD2 4.23Å; W13-L30 HydrophobicContact CE3-CD2 3.54Å; W13-L30 HydrophobicContact CH2-CD2 4Å; W13-L30 HydrophobicContact CZ3-CD2 3.41Å; W13-L30 VanDerWaalsContact CZ3-CD2 3.41Å; L15-L30 HydrophobicContact CB-CD1 4.29Å; L15-L30 HydrophobicContact CB-CD2 4.32Å; L15-L30 HydrophobicContact CD1-CD1 4.26Å; L15-L30 HydrophobicContact CD1-CD2 3.95Å; L15-L30 HydrophobicContact CD1-CG 4.31Å; L15-L30 HydrophobicContact CD2-CD1 4.43Å; V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.3Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 WeakPolarHBondContact O-CG 3.13Å; V26-L30 PolarHBondContact O-N 3.02Å; S27-L30 PolarHBondContact O-N 2.89Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.23Å; L30-D32 VanDerWaalsContact C-N 3.34Å; L30-D32 PolarHBondContact O-N 3.06Å; L30-C33 WeakPolarHBondContact O-CB 3.45Å; L30-C33 PolarHBondContact O-N 3.34Å; L30-F37 HydrophobicContact CB-CD1 4.06Å; L30-F37 HydrophobicContact CB-CD2 4.07Å; L30-F37 HydrophobicContact CB-CE1 3.91Å; L30-F37 HydrophobicContact CB-CE2 3.9Å; L30-F37 HydrophobicContact CB-CG 4.16Å; L30-F37 HydrophobicContact CB-CZ 3.82Å; L30-F37 HydrophobicContact CD1-CD2 3.9Å; L30-F37 HydrophobicContact CD1-CE2 4.09Å; L30-F37 HydrophobicContact CD1-CG 4.48Å; L30-F37 HydrophobicContact CD2-CB 4.14Å; L30-F37 HydrophobicContact CD2-CD2 4.32Å; L30-F37 HydrophobicContact CD2-CG 4.09Å; L30-F37 HydrophobicContact CG-CD2 4.34Å; L30-F37 HydrophobicContact CG-CG 4.5Å; L30-F37 WeakPolarHBondContact O-CE1 3.44Å; L30-H39 HydrophobicContact CD1-CB 3.8Å |
| 31 | N | 94.8 | Very high | 96 | Very high | 109 Ų | 109 | 58.7 Ų | 58.7 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 177.6 | -72.6 | -35.2 | 0 | 0 | 0 | 112.2 | S27 N28 C33 | S27-N31 WeakPolarHBondContact O-CB 3.44Å; S27-N31 VanDerWaalsContact O-CG 3.26Å; S27-N31 PolarHBondContact O-N 3.09Å; S27-N31 PolarHBondContact O-ND2 2.97Å; N28-N31 PolarHBondContact O-N 3.29Å; N31-C33 VanDerWaalsContact C-N 3.35Å |
| 32 | D | 94.5 | Very high | 96.1 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 60% | 0.599 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.3 | -17.3 | 179.6 | -68.9 | -21.1 | 0 | 0 | 0 | 113.3 | N28 I29 L30 G34 | N28-D32 PolarHBondContact ND2-OD2 3.49Å; N28-D32 VanDerWaalsContact ND2-OD2 3.11Å; N28-D32 PolarHBondContact O-N 2.96Å; I29-D32 PolarHBondContact O-N 3.31Å; L30-D32 VanDerWaalsContact C-N 3.34Å; L30-D32 PolarHBondContact O-N 3.06Å; D32-G34 PolarHBondContact O-N 3.42Å |
| 33 | C | 94.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.5 | -34.5 | -174.9 | -171.3 | 0 | 0 | 0 | 0 | 113.1 | C2 R6 I29 L30 N31 V35 | C2-C33 HydrophobicContact CB-CB 4.16Å; C2-C33 WeakPolarHBondContact CB-SG 3.38Å; C2-C33 WeakPolarHBondContact SG-CA 3.2Å; C2-C33 WeakPolarHBondContact SG-CB 3.19Å; C2-C33 CovalentContact SG-SG 2.03Å; C2-C33 PolarHBondContact SG-SG 3.46Å; R6-C33 WeakPolarHBondContact CD-O 3.24Å; R6-C33 WeakPolarHBondContact CG-O 3.36Å; I29-C33 VanDerWaalsContact O-CB 3.28Å; I29-C33 WeakPolarHBondContact O-CB 3.35Å; I29-C33 PolarHBondContact O-N 2.88Å; L30-C33 WeakPolarHBondContact O-CB 3.45Å; L30-C33 PolarHBondContact O-N 3.34Å; N31-C33 VanDerWaalsContact C-N 3.35Å; C33-V35 PolarHBondContact O-N 3.49Å; C33-V35 VanDerWaalsContact SG-CG2 3.59Å |
| 34 | G | 95.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 74% | 0.742 | 29% | 0.292 | S | S | * | . | trans | 71.8 | 7.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D32 | D32-G34 PolarHBondContact O-N 3.42Š| ||
| 35 | V | 97.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -89.7 | 131.2 | 171 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | L5 R6 I11 W13 C33 F37 | L5-V35 HydrophobicContact CB-CG1 4.4Å; L5-V35 HydrophobicContact CB-CG2 4.06Å; R6-V35 HydrophobicContact CB-CG2 4.23Å; R6-V35 HydrophobicContact CG-CG2 3.58Å; I11-V35 HydrophobicContact CG2-CG1 3.95Å; W13-V35 HydrophobicContact CB-CG1 4.04Å; C33-V35 PolarHBondContact O-N 3.49Å; C33-V35 VanDerWaalsContact SG-CG2 3.59Å; V35-F37 WeakPolarHBondContact O-CD1 3.49Å; V35-F37 PolarHBondContact O-N 3.47Å |
| 36 | P | 97.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | trans | -54.5 | 128.2 | 172.8 | -24.9 | 34.4 | 0 | 0 | 0 | 111.1 | L12 W13 | L12-P36 HydrophobicContact CD1-CB 4.29Å; W13-P36 PolarHBondContact N-O 3.25Å | ||
| 37 | F | 98.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 31% | 0.311 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160.8 | -173 | 69.2 | -95 | 0 | 0 | 0 | 113.7 | W13 L30 V35 H39 | W13-F37 HydrophobicContact CB-CB 4.33Å; W13-F37 CarbonylContact O-C 3.46Å; W13-F37 WeakPolarHBondContact O-CA 3.43Å; W13-F37 WeakPolarHBondContact O-CB 3.5Å; L30-F37 HydrophobicContact CB-CD1 4.06Å; L30-F37 HydrophobicContact CB-CD2 4.07Å; L30-F37 HydrophobicContact CB-CE1 3.91Å; L30-F37 HydrophobicContact CB-CE2 3.9Å; L30-F37 HydrophobicContact CB-CG 4.16Å; L30-F37 HydrophobicContact CB-CZ 3.82Å; L30-F37 HydrophobicContact CD1-CD2 3.9Å; L30-F37 HydrophobicContact CD1-CE2 4.09Å; L30-F37 HydrophobicContact CD1-CG 4.48Å; L30-F37 HydrophobicContact CD2-CB 4.14Å; L30-F37 HydrophobicContact CD2-CD2 4.32Å; L30-F37 HydrophobicContact CD2-CG 4.09Å; L30-F37 HydrophobicContact CG-CD2 4.34Å; L30-F37 HydrophobicContact CG-CG 4.5Å; L30-F37 WeakPolarHBondContact O-CE1 3.44Å; V35-F37 WeakPolarHBondContact O-CD1 3.49Å; V35-F37 PolarHBondContact O-N 3.47Å; F37-H39 HydrophobicContact CD2-CB 4.01Å; F37-H39 HydrophobicContact CE2-CB 3.96Å |
| 38 | V | 98.5 | Very high | 96 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.3 | 163.2 | -176.8 | 0 | 0 | 0 | 0 | 106.2 | L12 W13 I14 L15 L40 W72 | L12-V38 HydrophobicContact CD1-CG2 4.08Å; L12-V38 HydrophobicContact CD2-CG2 4.16Å; L12-V38 HydrophobicContact CG-CG2 4.3Å; W13-V38 PolarHBondContact O-N 2.97Å; I14-V38 HydrophobicContact CB-CB 4.48Å; I14-V38 HydrophobicContact CG1-CB 4.16Å; I14-V38 HydrophobicContact CG1-CG2 4.15Å; I14-V38 HydrophobicContact CG2-CB 4.33Å; L15-V38 PolarHBondContact N-O 2.71Å; V38-L40 HydrophobicContact CG1-CD1 4.22Å; V38-L40 HydrophobicContact CG1-CD2 3.91Å; V38-L40 HydrophobicContact CG1-CG 3.88Å; V38-W72 HydrophobicContact CB-CZ2 4.42Å; V38-W72 HydrophobicContact CG1-CD2 4.21Å; V38-W72 HydrophobicContact CG1-CG 4.33Å; V38-W72 HydrophobicContact CG1-CZ2 4.19Å; V38-W72 HydrophobicContact CG2-CD2 4.34Å; V38-W72 HydrophobicContact CG2-CH2 3.67Å; V38-W72 HydrophobicContact CG2-CZ2 3.38Å; V38-W72 HydrophobicContact CG2-CZ3 4.24Å |
| 39 | H | 98.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 57 Ų | 57 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115 | -179.8 | -171.5 | -173.3 | 0 | 0 | 0 | 109.7 | E17 S27 L30 F37 | E17-H39 IonicContact OE2-CD2 3.16Å; E17-H39 IonicContact OE2-CE1 3.41Å; E17-H39 PolarHBondContact OE2-CE1 3.14Å; E17-H39 IonicContact OE2-NE2 2.67Å; E17-H39 PolarHBondContact OE2-NE2 3.27Å; S27-H39 PolarHBondContact OG-CE1 3.31Å; S27-H39 VanDerWaalsContact OG-CE1 3.29Å; L30-H39 HydrophobicContact CD1-CB 3.8Å; F37-H39 HydrophobicContact CD2-CB 4.01Å; F37-H39 HydrophobicContact CE2-CB 3.96Å |
| 40 | L | 98.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164.9 | 179.1 | -53.9 | 173.7 | 0 | 0 | 0 | 109.5 | I14 L15 V16 E17 V38 L68 W72 | I14-L40 HydrophobicContact CG2-CD1 3.98Å; L15-L40 PolarHBondContact O-N 3.36Å; V16-L40 CarbonylContact C-O 3.52Å; V16-L40 VanDerWaalsContact CA-O 3.32Å; V16-L40 WeakPolarHBondContact CA-O 2.92Å; V16-L40 HydrophobicContact CB-CB 4.42Å; V16-L40 HydrophobicContact CG1-CB 4.07Å; V16-L40 HydrophobicContact CG2-CB 4.11Å; V16-L40 HydrophobicContact CG2-CD1 4.19Å; E17-L40 PolarHBondContact N-O 2.77Å; V38-L40 HydrophobicContact CG1-CD1 4.22Å; V38-L40 HydrophobicContact CG1-CD2 3.91Å; V38-L40 HydrophobicContact CG1-CG 3.88Å; L40-L68 HydrophobicContact CB-CD2 4Å; L40-L68 HydrophobicContact CD1-CD2 4.5Å; L40-L68 HydrophobicContact CD1-CG 4.12Å; L40-W72 HydrophobicContact CD1-CB 3.89Å; L40-W72 HydrophobicContact CD1-CG 4.1Å |
| 41 | N | 98.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.8 | 172.9 | 72.7 | -75 | 0 | 0 | 0 | 110.4 | E17 S19 T20 E21 P22 L68 | E17-N41 HydrophobicContact CB-CB 4.03Å; E17-N41 WeakPolarHBondContact O-CA 3.16Å; S19-N41 PolarHBondContact O-ND2 3.37Å; T20-N41 PolarHBondContact O-ND2 3.36Å; E21-N41 WeakPolarHBondContact CA-ND2 3.44Å; E21-N41 PolarHBondContact N-ND2 2.93Å; P22-N41 WeakPolarHBondContact CD-OD1 3.5Å; P22-N41 HydrophobicContact CG-CB 4.48Å; P22-N41 WeakPolarHBondContact CG-OD1 3.49Å; N41-L68 WeakPolarHBondContact O-CD2 3.45Å |
| 42 | I | 98.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | trans | -157.6 | 127.2 | 169.6 | -174.9 | 160.9 | 0 | 0 | 0 | 109.2 | V16 E17 D18 S19 L64 Q65 L68 | V16-I42 HydrophobicContact CG1-CG2 3.95Å; E17-I42 PolarHBondContact O-N 3.1Å; D18-I42 WeakPolarHBondContact CA-O 3.14Å; S19-I42 CarbonylContact O-C 3.58Å; I42-L64 HydrophobicContact CD1-CB 4.09Å; I42-L64 HydrophobicContact CD1-CD1 4Å; I42-L64 HydrophobicContact CG1-CB 4.23Å; I42-L64 HydrophobicContact CG1-CD1 4.06Å; I42-L64 HydrophobicContact CG2-CB 3.97Å; I42-Q65 HydrophobicContact CG2-CB 4.47Å; I42-Q65 HydrophobicContact CG2-CG 3.95Å; I42-Q65 PolarHBondContact O-NE2 3.11Å; I42-L68 HydrophobicContact CB-CD2 3.83Å; I42-L68 HydrophobicContact CG2-CB 4.16Å; I42-L68 HydrophobicContact CG2-CD2 3.8Å | ||
| 43 | P | 97.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 134.9 | -179.7 | 30.4 | -34.2 | 0 | 0 | 0 | 110.7 | S19 T20 | S19-P43 VanDerWaalsContact O-CD 3.3Å; S19-P43 WeakPolarHBondContact O-CD 3.04Å; T20-P43 HydrophobicContact CG2-CB 4.09Å; T20-P43 HydrophobicContact CG2-CG 4.06Å |
| 44 | T | 97.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 129.5 | 166.3 | -68 | 0 | 0 | 0 | 0 | 108.8 | D18 E48 K49 Q65 | D18-T44 WeakPolarHBondContact OD1-CB 3.09Å; D18-T44 PolarHBondContact OD1-N 3.32Å; D18-T44 PolarHBondContact OD1-OG1 3.07Å; D18-T44 WeakPolarHBondContact OD2-CB 3.48Å; D18-T44 PolarHBondContact OD2-OG1 3.48Å; T44-E48 HydrophobicContact CG2-CB 3.92Å; T44-K49 HydrophobicContact CG2-CG 4.01Å; T44-K49 VanDerWaalsContact O-CE 3.22Å; T44-K49 WeakPolarHBondContact O-CE 3.17Å; T44-Q65 PolarHBondContact OG1-NE2 3.08Å; T44-Q65 VanDerWaalsContact OG1-NE2 3.11Å |
| 45 | P | 95.4 | Very high | 92.4 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.2 | 179.6 | -24.7 | 34.7 | 0 | 0 | 0 | 111.5 | S47 E48 K49 L64 | P45-S47 PolarHBondContact O-N 2.91Å; P45-S47 VanDerWaalsContact O-N 3.07Å; P45-E48 HydrophobicContact CB-CG 4.39Å; P45-E48 PolarHBondContact O-N 3.29Å; P45-K49 PolarHBondContact O-N 2.96Å; P45-L64 HydrophobicContact CG-CD1 3.98Å |
| 46 | Q | 92.5 | Very high | 91.5 | Very high | 151 Ų | 151 | 74.1 Ų | 74.1 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -30.4 | -177.5 | -169.7 | 62.5 | 19.6 | 0 | 0 | 113.1 | E48 | Q46-E48 PolarHBondContact O-N 2.87Š|
| 47 | S | 91.8 | Very high | 90.4 | Very high | 75 Ų | 75 | 76.1 Ų | 76.1 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.9 | 176 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | P45 R59 | P45-S47 PolarHBondContact O-N 2.91Å; P45-S47 VanDerWaalsContact O-N 3.07Å; S47-R59 PolarHBondContact O-NH1 3.15Å; S47-R59 VanDerWaalsContact O-NH1 3.14Å |
| 48 | E | 92.2 | Very high | 89.6 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -8.3 | -176.5 | -56.4 | -55.8 | 158.5 | 0 | 0 | 113.5 | T44 P45 Q46 R59 Y171 | T44-E48 HydrophobicContact CG2-CB 3.92Å; P45-E48 HydrophobicContact CB-CG 4.39Å; P45-E48 PolarHBondContact O-N 3.29Å; Q46-E48 PolarHBondContact O-N 2.87Å; E48-R59 WeakPolarHBondContact O-CD 3.14Å; E48-R59 IonicContact OE2-NH1 2.89Å; E48-R59 PolarHBondContact OE2-NH1 3.47Å; E48-Y171 HydrophobicContact CB-CD1 3.79Å; E48-Y171 HydrophobicContact CB-CE1 3.61Å; E48-Y171 HydrophobicContact CB-CG 4.4Å; E48-Y171 HydrophobicContact CG-CD1 3.62Å; E48-Y171 HydrophobicContact CG-CD2 4.02Å; E48-Y171 HydrophobicContact CG-CE1 3.82Å; E48-Y171 HydrophobicContact CG-CE2 4.19Å; E48-Y171 HydrophobicContact CG-CG 3.73Å |
| 49 | K | 89.7 | Confident | 89 | Confident | 78 Ų | 78 | 79.3 Ų | 79.3 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -67.8 | 144.5 | 173.4 | -68.1 | -167.8 | -179.5 | -178.1 | 0 | 110.7 | T44 P45 K51 R59 | T44-K49 HydrophobicContact CG2-CG 4.01Å; T44-K49 VanDerWaalsContact O-CE 3.22Å; T44-K49 WeakPolarHBondContact O-CE 3.17Å; P45-K49 PolarHBondContact O-N 2.96Å; K49-K51 PolarHBondContact O-N 2.98Å; K49-R59 WeakPolarHBondContact O-CD 3.27Å |
| 50 | P | 83.9 | Confident | 88.6 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 134.9 | 174.4 | -24.2 | 33.5 | 0 | 0 | 0 | 111.3 | ||
| 51 | K | 85.2 | Confident | 88.3 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 150.4 | 174.1 | -57.4 | -178.4 | -173.3 | 172.8 | 0 | 109.6 | K49 R53 E54 | K49-K51 PolarHBondContact O-N 2.98Å; K51-R53 PolarHBondContact O-N 2.53Å; K51-E54 HydrophobicContact CB-CB 4.43Å; K51-E54 HydrophobicContact CB-CG 4.05Å; K51-E54 PolarHBondContact N-OE2 2.84Å; K51-E54 PolarHBondContact O-N 2.02Å |
| 52 | A | 81.1 | Confident | 88.2 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 98% | 0.975 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 53 | R | 82.6 | Confident | 88.1 | Confident | 248 Ų | 248 | 80.5 Ų | 80.5 | 94% | 0.936 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -3.9 | 178.6 | -63.3 | -176.2 | 179.8 | 174.9 | -0.2 | 114 | K51 | K51-R53 PolarHBondContact O-N 2.53Š|
| 54 | E | 84.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 21% | 0.206 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -92.8 | 133.4 | 179.4 | -70.5 | 174.2 | 173.1 | 0 | 0 | 108.8 | K51 F58 R59 | K51-E54 HydrophobicContact CB-CB 4.43Å; K51-E54 HydrophobicContact CB-CG 4.05Å; K51-E54 PolarHBondContact N-OE2 2.84Å; K51-E54 PolarHBondContact O-N 2.02Å; E54-F58 HydrophobicContact CB-CB 4.22Å; E54-F58 HydrophobicContact CB-CD1 4.14Å; E54-F58 HydrophobicContact CB-CG 4.39Å; E54-F58 HydrophobicContact CG-CD1 3.93Å; E54-F58 HydrophobicContact CG-CE1 4.35Å; E54-R59 IonicContact OE1-CZ 3.36Å; E54-R59 IonicContact OE1-NE 2.69Å; E54-R59 IonicContact OE1-NH2 3.4Å; E54-R59 PolarHBondContact OE1-NH2 2.81Å; E54-R59 IonicContact OE2-CZ 2.89Å; E54-R59 IonicContact OE2-NE 3.5Å; E54-R59 PolarHBondContact OE2-NE 3.48Å; E54-R59 IonicContact OE2-NH2 3.84Å; E54-R59 PolarHBondContact OE2-NH2 3.3Å |
| 55 | P | 81.6 | Confident | 88.1 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | trans | -56.5 | 145.7 | 171.6 | -22.6 | 32 | 0 | 0 | 0 | 111 | W57 F58 | P55-W57 HydrophobicContact CB-CD2 3.66Å; P55-W57 HydrophobicContact CB-CE3 4.09Å; P55-W57 HydrophobicContact CB-CG 4.23Å; P55-W57 HydrophobicContact CB-CH2 3.84Å; P55-W57 HydrophobicContact CB-CZ2 3.36Å; P55-W57 HydrophobicContact CB-CZ3 4.17Å; P55-W57 HydrophobicContact CG-CZ2 3.92Å; P55-W57 PolarHBondContact O-N 3.32Å; P55-F58 WeakPolarHBondContact O-CB 3.41Å; P55-F58 PolarHBondContact O-N 2.94Å | ||
| 56 | F | 76.8 | Confident | 88.3 | Confident | 100 Ų | 100 | 80 Ų | 80 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.9 | -173.8 | 74.4 | -101.7 | 0 | 0 | 0 | 113.9 | F58 | F56-F58 VanDerWaalsContact C-N 3.32Š|
| 57 | W | 76.1 | Confident | 88.6 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 47% | 0.47 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.4 | 178.7 | 58 | 72.9 | 0 | 0 | 0 | 114.3 | P55 | P55-W57 HydrophobicContact CB-CD2 3.66Å; P55-W57 HydrophobicContact CB-CE3 4.09Å; P55-W57 HydrophobicContact CB-CG 4.23Å; P55-W57 HydrophobicContact CB-CH2 3.84Å; P55-W57 HydrophobicContact CB-CZ2 3.36Å; P55-W57 HydrophobicContact CB-CZ3 4.17Å; P55-W57 HydrophobicContact CG-CZ2 3.92Å; P55-W57 PolarHBondContact O-N 3.32Å |
| 58 | F | 81.9 | Confident | 88.9 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -73.1 | -41.9 | -173.2 | -173.7 | -106.8 | 0 | 0 | 0 | 112.3 | E54 P55 F56 | E54-F58 HydrophobicContact CB-CB 4.22Å; E54-F58 HydrophobicContact CB-CD1 4.14Å; E54-F58 HydrophobicContact CB-CG 4.39Å; E54-F58 HydrophobicContact CG-CD1 3.93Å; E54-F58 HydrophobicContact CG-CE1 4.35Å; P55-F58 WeakPolarHBondContact O-CB 3.41Å; P55-F58 PolarHBondContact O-N 2.94Å; F56-F58 VanDerWaalsContact C-N 3.32Å |
| 59 | R | 85.2 | Confident | 89.2 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -107.3 | 136 | 179.6 | -59.8 | -169.2 | -179.6 | -89.7 | -10.1 | 110.9 | S47 E48 K49 E54 K61 | S47-R59 PolarHBondContact O-NH1 3.15Å; S47-R59 VanDerWaalsContact O-NH1 3.14Å; E48-R59 WeakPolarHBondContact O-CD 3.14Å; E48-R59 IonicContact OE2-NH1 2.89Å; E48-R59 PolarHBondContact OE2-NH1 3.47Å; K49-R59 WeakPolarHBondContact O-CD 3.27Å; E54-R59 IonicContact OE1-CZ 3.36Å; E54-R59 IonicContact OE1-NE 2.69Å; E54-R59 IonicContact OE1-NH2 3.4Å; E54-R59 PolarHBondContact OE1-NH2 2.81Å; E54-R59 IonicContact OE2-CZ 2.89Å; E54-R59 IonicContact OE2-NE 3.5Å; E54-R59 PolarHBondContact OE2-NE 3.48Å; E54-R59 IonicContact OE2-NH2 3.84Å; E54-R59 PolarHBondContact OE2-NH2 3.3Å; R59-K61 PolarHBondContact O-N 3.39Å |
| 60 | P | 90.2 | Very high | 89.6 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -69.5 | 133.5 | 175.3 | 30.5 | -33.8 | 0 | 0 | 0 | 110.1 | I63 Y171 | P60-I63 HydrophobicContact CB-CD1 3.96Å; P60-I63 HydrophobicContact CB-CG1 3.95Å; P60-I63 HydrophobicContact CG-CD1 4.25Å; P60-I63 HydrophobicContact CG-CG1 3.97Å; P60-Y171 HydrophobicContact CG-CD1 4.2Å | ||
| 61 | K | 92.2 | Very high | 90.3 | Very high | 132 Ų | 132 | 68.6 Ų | 68.6 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -93.2 | 157.4 | 175 | -58.9 | -175.7 | -179.6 | -178.5 | 0 | 110.3 | R59 I63 R66 | R59-K61 PolarHBondContact O-N 3.39Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.15Å; K61-R66 PolarHBondContact O-NH1 3.19Å |
| 62 | G | 95.5 | Very high | 91 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 19% | 0.186 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 76.2 | 9.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116 | Q65 R66 | G62-Q65 PolarHBondContact O-N 2.89Å; G62-R66 WeakPolarHBondContact O-CB 3.25Å; G62-R66 WeakPolarHBondContact O-CG 3.32Å; G62-R66 PolarHBondContact O-N 2.81Å |
| 63 | I | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -54.2 | -173.7 | -62.5 | -68.8 | 0 | 0 | 0 | 111.5 | P60 K61 Q65 N67 F169 Y171 Q178 | P60-I63 HydrophobicContact CB-CD1 3.96Å; P60-I63 HydrophobicContact CB-CG1 3.95Å; P60-I63 HydrophobicContact CG-CD1 4.25Å; P60-I63 HydrophobicContact CG-CG1 3.97Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.15Å; I63-Q65 VanDerWaalsContact C-N 3.28Å; I63-Q65 PolarHBondContact O-N 3.36Å; I63-N67 WeakPolarHBondContact O-CB 3.48Å; I63-N67 PolarHBondContact O-N 3.49Å; I63-N67 PolarHBondContact O-ND2 3.16Å; I63-F169 HydrophobicContact CD1-CB 3.75Å; I63-F169 HydrophobicContact CG2-CB 3.96Å; I63-Y171 HydrophobicContact CB-CD1 4.04Å; I63-Y171 HydrophobicContact CB-CD2 4.3Å; I63-Y171 HydrophobicContact CB-CE1 3.61Å; I63-Y171 HydrophobicContact CB-CE2 3.9Å; I63-Y171 HydrophobicContact CB-CG 4.36Å; I63-Y171 HydrophobicContact CG1-CD1 3.83Å; I63-Y171 HydrophobicContact CG1-CE1 3.7Å; I63-Y171 HydrophobicContact CG1-CG 4.41Å; I63-Y171 HydrophobicContact CG2-CD1 4.34Å; I63-Y171 HydrophobicContact CG2-CD2 3.87Å; I63-Y171 HydrophobicContact CG2-CE1 4.25Å; I63-Y171 HydrophobicContact CG2-CE2 3.77Å; I63-Y171 HydrophobicContact CG2-CG 4.16Å; I63-Q178 VanDerWaalsContact CD1-CD 3.49Å; I63-Q178 HydrophobicContact CD1-CG 4.13Å |
| 64 | L | 97.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 177.3 | -70.6 | -165.8 | 0 | 0 | 0 | 111.8 | I42 P45 N67 L68 Y171 | I42-L64 HydrophobicContact CD1-CB 4.09Å; I42-L64 HydrophobicContact CD1-CD1 4Å; I42-L64 HydrophobicContact CG1-CB 4.23Å; I42-L64 HydrophobicContact CG1-CD1 4.06Å; I42-L64 HydrophobicContact CG2-CB 3.97Å; P45-L64 HydrophobicContact CG-CD1 3.98Å; L64-N67 PolarHBondContact O-N 2.93Å; L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 PolarHBondContact O-N 2.65Å; L64-Y171 HydrophobicContact CD2-CE2 3.86Å; L64-Y171 HydrophobicContact CG-CE2 3.76Å; L64-Y171 WeakPolarHBondContact CG-OH 3.49Å |
| 65 | Q | 98.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -48.4 | -177.9 | -65.8 | 75.1 | 20.7 | 0 | 0 | 110.8 | V16 D18 I42 T44 G62 I63 N67 L68 G69 | V16-Q65 HydrophobicContact CB-CB 3.91Å; V16-Q65 HydrophobicContact CB-CG 4.41Å; V16-Q65 HydrophobicContact CG1-CB 3.77Å; V16-Q65 HydrophobicContact CG1-CG 3.97Å; D18-Q65 HydrophobicContact CB-CG 4.47Å; I42-Q65 HydrophobicContact CG2-CB 4.47Å; I42-Q65 HydrophobicContact CG2-CG 3.95Å; I42-Q65 PolarHBondContact O-NE2 3.11Å; T44-Q65 PolarHBondContact OG1-NE2 3.08Å; T44-Q65 VanDerWaalsContact OG1-NE2 3.11Å; G62-Q65 PolarHBondContact O-N 2.89Å; I63-Q65 VanDerWaalsContact C-N 3.28Å; I63-Q65 PolarHBondContact O-N 3.36Å; Q65-N67 PolarHBondContact O-N 3.4Å; Q65-L68 PolarHBondContact O-N 2.89Å; Q65-G69 PolarHBondContact O-N 3.42Å |
| 66 | R | 98.5 | Very high | 94 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 173.5 | -69.5 | 178 | -167.1 | 110.9 | 1.1 | 111.8 | K61 G62 L68 G69 L70 I88 D90 F169 | K61-R66 PolarHBondContact O-NH1 3.19Å; G62-R66 WeakPolarHBondContact O-CB 3.25Å; G62-R66 WeakPolarHBondContact O-CG 3.32Å; G62-R66 PolarHBondContact O-N 2.81Å; R66-L68 PolarHBondContact O-N 3.1Å; R66-G69 PolarHBondContact O-N 3.37Å; R66-L70 WeakPolarHBondContact O-CG 3.37Å; R66-L70 PolarHBondContact O-N 2.94Å; R66-I88 HydrophobicContact CG-CG2 3.97Å; R66-D90 IonicContact CZ-OD1 2.79Å; R66-D90 IonicContact NE-OD1 2.74Å; R66-D90 IonicContact NH2-OD1 3.79Å; R66-D90 PolarHBondContact NH2-OD1 2.86Å; R66-D90 IonicContact NH2-OD2 3.91Å; R66-D90 PolarHBondContact NH2-OD2 2.93Å; R66-D90 VanDerWaalsContact NH2-OD2 3.16Å; R66-F169 HydrophobicContact CB-CD2 3.56Å; R66-F169 HydrophobicContact CB-CE2 3.7Å; R66-F169 HydrophobicContact CG-CD2 4.47Å; R66-F169 HydrophobicContact CG-CE2 4.37Å |
| 67 | N | 98.6 | Very high | 95 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.7 | -78.1 | -19.4 | 0 | 0 | 0 | 113 | I63 L64 Q65 G69 L70 Q71 G168 F169 | I63-N67 WeakPolarHBondContact O-CB 3.48Å; I63-N67 PolarHBondContact O-N 3.49Å; I63-N67 PolarHBondContact O-ND2 3.16Å; L64-N67 PolarHBondContact O-N 2.93Å; Q65-N67 PolarHBondContact O-N 3.4Å; N67-G69 VanDerWaalsContact C-N 3.34Å; N67-L70 WeakPolarHBondContact O-CB 3.17Å; N67-L70 PolarHBondContact O-N 3.36Å; N67-Q71 WeakPolarHBondContact O-CB 3.43Å; N67-Q71 PolarHBondContact O-N 3.31Å; N67-G168 WeakPolarHBondContact OD1-CA 3.39Å; N67-F169 PolarHBondContact ND2-O 3.11Å; N67-F169 PolarHBondContact OD1-N 2.78Å |
| 68 | L | 98.7 | Very high | 96 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.2 | -178.2 | 59.6 | 0 | 0 | 0 | 110.9 | V16 L40 N41 I42 L64 Q65 R66 Q71 W72 | V16-L68 HydrophobicContact CG1-CB 4.32Å; V16-L68 HydrophobicContact CG1-CD2 3.93Å; V16-L68 HydrophobicContact CG1-CG 4.47Å; L40-L68 HydrophobicContact CB-CD2 4Å; L40-L68 HydrophobicContact CD1-CD2 4.5Å; L40-L68 HydrophobicContact CD1-CG 4.12Å; N41-L68 WeakPolarHBondContact O-CD2 3.45Å; I42-L68 HydrophobicContact CB-CD2 3.83Å; I42-L68 HydrophobicContact CG2-CB 4.16Å; I42-L68 HydrophobicContact CG2-CD2 3.8Å; L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 PolarHBondContact O-N 2.65Å; Q65-L68 PolarHBondContact O-N 2.89Å; R66-L68 PolarHBondContact O-N 3.1Å; L68-Q71 WeakPolarHBondContact O-CB 3.33Å; L68-Q71 PolarHBondContact O-N 3.1Å; L68-W72 PolarHBondContact O-N 2.74Å |
| 69 | G | 98.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q65 R66 N67 Q71 W72 L73 | Q65-G69 PolarHBondContact O-N 3.42Å; R66-G69 PolarHBondContact O-N 3.37Å; N67-G69 VanDerWaalsContact C-N 3.34Å; G69-Q71 VanDerWaalsContact C-N 3.32Å; G69-Q71 PolarHBondContact O-N 3Å; G69-W72 PolarHBondContact O-N 3.25Å; G69-L73 WeakPolarHBondContact O-CG 3.38Å; G69-L73 PolarHBondContact O-N 2.93Å |
| 70 | L | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.5 | -69 | 173.3 | 0 | 0 | 0 | 112.5 | R66 N67 L73 R74 L86 I161 F169 F182 | R66-L70 WeakPolarHBondContact O-CG 3.37Å; R66-L70 PolarHBondContact O-N 2.94Å; N67-L70 WeakPolarHBondContact O-CB 3.17Å; N67-L70 PolarHBondContact O-N 3.36Å; L70-L73 PolarHBondContact O-N 2.91Å; L70-R74 VanDerWaalsContact O-CG 3.32Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.3Å; L70-R74 VanDerWaalsContact O-N 3.08Å; L70-L86 HydrophobicContact CD2-CD2 3.46Å; L70-L86 VanDerWaalsContact CD2-CD2 3.46Å; L70-I161 HydrophobicContact CD2-CD1 4.19Å; L70-I161 HydrophobicContact CD2-CG2 3.95Å; L70-F169 HydrophobicContact CD1-CD2 4.21Å; L70-F169 HydrophobicContact CD1-CE2 3.98Å; L70-F182 HydrophobicContact CD1-CD2 4.43Å; L70-F182 HydrophobicContact CD1-CE2 3.66Å; L70-F182 HydrophobicContact CD1-CZ 4.3Å; L70-F182 HydrophobicContact CD2-CE2 4.21Å; L70-F182 HydrophobicContact CD2-CZ 4.13Å |
| 71 | Q | 98.5 | Very high | 97.6 | Very high | 91 Ų | 91 | 58 Ų | 58 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.9 | 178.2 | -179.3 | -10.1 | 0 | 0 | 111 | N67 L68 G69 L73 R74 Q75 | N67-Q71 WeakPolarHBondContact O-CB 3.43Å; N67-Q71 PolarHBondContact O-N 3.31Å; L68-Q71 WeakPolarHBondContact O-CB 3.33Å; L68-Q71 PolarHBondContact O-N 3.1Å; G69-Q71 VanDerWaalsContact C-N 3.32Å; G69-Q71 PolarHBondContact O-N 3Å; Q71-L73 VanDerWaalsContact C-N 3.3Å; Q71-L73 PolarHBondContact O-N 3.33Å; Q71-R74 PolarHBondContact O-N 2.96Å; Q71-R74 VanDerWaalsContact O-N 3.14Å; Q71-Q75 HydrophobicContact CG-CG 4.33Å; Q71-Q75 VanDerWaalsContact NE2-NE2 3.1Å; Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 3.27Å |
| 72 | W | 98.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 177 | -176.3 | 92.9 | 0 | 0 | 0 | 111 | L12 I14 V38 L40 L68 G69 R74 Q75 N76 | L12-W72 HydrophobicContact CD2-CH2 3.66Å; L12-W72 HydrophobicContact CD2-CZ3 3.82Å; I14-W72 HydrophobicContact CD1-CD2 4.37Å; I14-W72 HydrophobicContact CD1-CE3 3.47Å; I14-W72 VanDerWaalsContact CD1-CE3 3.47Å; I14-W72 HydrophobicContact CD1-CZ3 3.72Å; I14-W72 HydrophobicContact CG1-CE3 4.3Å; I14-W72 HydrophobicContact CG1-CZ3 4.4Å; V38-W72 HydrophobicContact CB-CZ2 4.42Å; V38-W72 HydrophobicContact CG1-CD2 4.21Å; V38-W72 HydrophobicContact CG1-CG 4.33Å; V38-W72 HydrophobicContact CG1-CZ2 4.19Å; V38-W72 HydrophobicContact CG2-CD2 4.34Å; V38-W72 HydrophobicContact CG2-CH2 3.67Å; V38-W72 HydrophobicContact CG2-CZ2 3.38Å; V38-W72 HydrophobicContact CG2-CZ3 4.24Å; L40-W72 HydrophobicContact CD1-CB 3.89Å; L40-W72 HydrophobicContact CD1-CG 4.1Å; L68-W72 PolarHBondContact O-N 2.74Å; G69-W72 PolarHBondContact O-N 3.25Å; W72-R74 PolarHBondContact O-N 2.97Å; W72-Q75 PolarHBondContact O-N 3.12Å; W72-N76 HydrophobicContact CD2-CB 4.38Å; W72-N76 HydrophobicContact CH2-CB 4.23Å; W72-N76 HydrophobicContact CZ2-CB 4.05Å; W72-N76 HydrophobicContact CZ3-CB 4.49Å; W72-N76 PolarHBondContact NE1-ND2 2.65Å; W72-N76 WeakPolarHBondContact O-CB 3.43Å; W72-N76 PolarHBondContact O-N 3.27Å; W72-N76 PolarHBondContact O-ND2 2.84Å |
| 73 | L | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 175.8 | -66.3 | 169.8 | 0 | 0 | 0 | 111.6 | I14 G69 L70 Q71 Q75 N76 L77 L86 I158 | I14-L73 HydrophobicContact CD1-CD2 3.7Å; I14-L73 HydrophobicContact CD1-CG 4.08Å; G69-L73 WeakPolarHBondContact O-CG 3.38Å; G69-L73 PolarHBondContact O-N 2.93Å; L70-L73 PolarHBondContact O-N 2.91Å; Q71-L73 VanDerWaalsContact C-N 3.3Å; Q71-L73 PolarHBondContact O-N 3.33Å; L73-Q75 VanDerWaalsContact C-N 3.27Å; L73-Q75 PolarHBondContact O-N 2.98Å; L73-N76 PolarHBondContact O-N 2.95Å; L73-L77 HydrophobicContact CB-CD1 4.35Å; L73-L77 HydrophobicContact CD2-CD1 3.59Å; L73-L77 HydrophobicContact CD2-CG 4.41Å; L73-L77 VanDerWaalsContact O-CB 3.27Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 WeakPolarHBondContact O-CG 3.16Å; L73-L77 PolarHBondContact O-N 2.66Å; L73-L86 HydrophobicContact CD1-CD1 3.92Å; L73-L86 HydrophobicContact CD1-CD2 3.96Å; L73-L86 HydrophobicContact CD1-CG 4.38Å; L73-I158 HydrophobicContact CD1-CD1 4.11Å; L73-I158 HydrophobicContact CD2-CD1 4.07Å |
| 74 | R | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -26.7 | -179.2 | -72.2 | 167.2 | 178.1 | 147.9 | 2 | 114.2 | L70 Q71 W72 I161 L162 H164 K165 A167 | L70-R74 VanDerWaalsContact O-CG 3.32Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.3Å; L70-R74 VanDerWaalsContact O-N 3.08Å; Q71-R74 PolarHBondContact O-N 2.96Å; Q71-R74 VanDerWaalsContact O-N 3.14Å; W72-R74 PolarHBondContact O-N 2.97Å; R74-I161 PolarHBondContact NE-O 3.2Å; R74-L162 HydrophobicContact CB-CD2 4.5Å; R74-L162 HydrophobicContact CG-CD2 4.2Å; R74-H164 PolarHBondContact NH2-O 3.24Å; R74-K165 PolarHBondContact NE-O 3.21Å; R74-K165 PolarHBondContact NH1-O 2.98Å; R74-K165 VanDerWaalsContact NH1-O 3.1Å; R74-A167 VanDerWaalsContact CZ-O 3.3Å; R74-A167 PolarHBondContact NH1-O 2.83Å; R74-A167 PolarHBondContact NH2-O 2.98Å |
| 75 | Q | 97.8 | Very high | 97.9 | Very high | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -88.2 | -29.5 | 179.7 | -71.5 | 178.1 | -21.5 | 0 | 0 | 112.6 | Q71 W72 L73 | Q71-Q75 HydrophobicContact CG-CG 4.33Å; Q71-Q75 VanDerWaalsContact NE2-NE2 3.1Å; Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 3.27Å; W72-Q75 PolarHBondContact O-N 3.12Å; L73-Q75 VanDerWaalsContact C-N 3.27Å; L73-Q75 PolarHBondContact O-N 2.98Å |
| 76 | N | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 62.6 Ų | 62.6 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -107.7 | -18.8 | -171 | -67.9 | -83.6 | 0 | 0 | 0 | 114.3 | W72 L73 | W72-N76 HydrophobicContact CD2-CB 4.38Å; W72-N76 HydrophobicContact CH2-CB 4.23Å; W72-N76 HydrophobicContact CZ2-CB 4.05Å; W72-N76 HydrophobicContact CZ3-CB 4.49Å; W72-N76 PolarHBondContact NE1-ND2 2.65Å; W72-N76 WeakPolarHBondContact O-CB 3.43Å; W72-N76 PolarHBondContact O-N 3.27Å; W72-N76 PolarHBondContact O-ND2 2.84Å; L73-N76 PolarHBondContact O-N 2.95Å |
| 77 | L | 97.9 | Very high | 97.9 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | trans | -106.4 | 145.7 | -179 | -53.2 | -174.6 | 0 | 0 | 0 | 111.7 | L73 N82 I158 L162 | L73-L77 HydrophobicContact CB-CD1 4.35Å; L73-L77 HydrophobicContact CD2-CD1 3.59Å; L73-L77 HydrophobicContact CD2-CG 4.41Å; L73-L77 VanDerWaalsContact O-CB 3.27Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 WeakPolarHBondContact O-CG 3.16Å; L73-L77 PolarHBondContact O-N 2.66Å; L77-N82 HydrophobicContact CB-CB 4Å; L77-N82 HydrophobicContact CD2-CB 4.05Å; L77-N82 HydrophobicContact CG-CB 4.41Å; L77-I158 HydrophobicContact CD1-CD1 4.27Å; L77-I158 HydrophobicContact CD1-CG2 3.71Å; L77-L162 HydrophobicContact CB-CD1 3.86Å; L77-L162 HydrophobicContact CB-CD2 4.22Å | ||
| 78 | I | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | trans | -105.2 | 121.7 | -179.6 | -61.5 | 168.7 | 0 | 0 | 0 | 108.8 | G80 R81 N82 | I78-G80 PolarHBondContact O-N 3.04Å; I78-R81 HydrophobicContact CB-CB 4Å; I78-R81 HydrophobicContact CG2-CB 3.93Å; I78-R81 PolarHBondContact O-N 3.13Å; I78-N82 PolarHBondContact N-OD1 3.29Å; I78-N82 PolarHBondContact O-N 3.14Å | ||
| 79 | L | 97.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 61 Ų | 61 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 129.8 | 177.6 | 175.7 | 63.2 | 0 | 0 | 0 | 111.1 | R81 D159 L162 Q163 | L79-R81 PolarHBondContact O-N 3.46Å; L79-D159 HydrophobicContact CD1-CB 3.79Å; L79-D159 WeakPolarHBondContact CD1-O 3.34Å; L79-L162 HydrophobicContact CB-CB 4.22Å; L79-L162 HydrophobicContact CB-CD1 4.38Å; L79-L162 HydrophobicContact CD1-CB 4.06Å; L79-Q163 HydrophobicContact CD1-CG 3.73Å; L79-Q163 HydrophobicContact CD2-CG 3.91Å |
| 80 | G | 96.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -16 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I78 K83 D159 | I78-G80 PolarHBondContact O-N 3.04Å; G80-K83 WeakPolarHBondContact O-CE 3.12Å; G80-K83 PolarHBondContact O-NZ 3.44Å; G80-D159 PolarHBondContact N-OD1 3.48Å |
| 81 | R | 97.1 | Very high | 97.7 | Very high | 190 Ų | 190 | 69 Ų | 69 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -51.3 | 178.4 | -177.3 | -178.6 | 179.2 | 178.4 | -0.6 | 111.9 | I78 L79 K83 | I78-R81 HydrophobicContact CB-CB 4Å; I78-R81 HydrophobicContact CG2-CB 3.93Å; I78-R81 PolarHBondContact O-N 3.13Å; L79-R81 PolarHBondContact O-N 3.46Å; R81-K83 PolarHBondContact O-N 2.91Å |
| 82 | N | 95.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -86.6 | 101.4 | -179.2 | -65.8 | 97.3 | 0 | 0 | 0 | 109.9 | L77 I78 | L77-N82 HydrophobicContact CB-CB 4Å; L77-N82 HydrophobicContact CD2-CB 4.05Å; L77-N82 HydrophobicContact CG-CB 4.41Å; I78-N82 PolarHBondContact N-OD1 3.29Å; I78-N82 PolarHBondContact O-N 3.14Å |
| 83 | K | 95.9 | Very high | 97.6 | Very high | 148 Ų | 148 | 65.4 Ų | 65.4 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | trans | -86.7 | 135.5 | 177.2 | -57.4 | -59.4 | 177.1 | -178.3 | 0 | 110.5 | G80 R81 D159 | G80-K83 WeakPolarHBondContact O-CE 3.12Å; G80-K83 PolarHBondContact O-NZ 3.44Å; R81-K83 PolarHBondContact O-N 2.91Å; K83-D159 IonicContact NZ-OD2 2.88Å; K83-D159 PolarHBondContact NZ-OD2 2.89Å | ||
| 84 | G | 97.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | trans | 172.3 | -179 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I158 | G84-I158 VanDerWaalsContact C-CG1 3.41Å; G84-I158 WeakPolarHBondContact O-CB 3.22Å; G84-I158 WeakPolarHBondContact O-CG1 3.44Å; G84-I158 PolarHBondContact O-N 3.16Å | ||
| 85 | V | 98.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.4 | -179 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | M103 A155 V156 | V85-M103 WeakPolarHBondContact CG2-O 3.47Å; V85-A155 HydrophobicContact CG1-CB 3.59Å; V85-V156 CarbonylContact C-O 3.58Å; V85-V156 WeakPolarHBondContact CA-O 3.15Å |
| 86 | L | 98.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.1 | 170.5 | 173.3 | 61.3 | 0 | 0 | 0 | 109.3 | L70 L73 I88 A155 V156 I158 I161 | L70-L86 HydrophobicContact CD2-CD2 3.46Å; L70-L86 VanDerWaalsContact CD2-CD2 3.46Å; L73-L86 HydrophobicContact CD1-CD1 3.92Å; L73-L86 HydrophobicContact CD1-CD2 3.96Å; L73-L86 HydrophobicContact CD1-CG 4.38Å; L86-I88 HydrophobicContact CG-CG1 4.42Å; L86-A155 WeakPolarHBondContact O-CA 3.34Å; L86-A155 WeakPolarHBondContact O-CB 3.23Å; L86-V156 PolarHBondContact N-O 3.31Å; L86-V156 PolarHBondContact O-N 3.49Å; L86-I158 HydrophobicContact CB-CD1 3.92Å; L86-I161 HydrophobicContact CB-CG1 4.41Å; L86-I161 HydrophobicContact CD2-CD1 3.84Å; L86-I161 HydrophobicContact CD2-CG1 3.98Å |
| 87 | Y | 98.7 | Very high | 97.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.7 | 167.5 | -178.9 | -127.4 | 0 | 0 | 0 | 109.6 | A89 Y95 F100 M103 W112 A152 F154 A155 | Y87-A89 HydrophobicContact CD1-CB 4Å; Y87-A89 HydrophobicContact CE1-CB 3.86Å; Y87-Y95 AromaticContact CE1-CD1 3.93Å; Y87-Y95 HydrophobicContact CE1-CD1 3.93Å; Y87-Y95 AromaticContact CE1-CE1 3.75Å; Y87-Y95 HydrophobicContact CE1-CE1 3.75Å; Y87-Y95 AromaticContact CZ-CE1 3.91Å; Y87-Y95 VanDerWaalsContact OH-CE1 3.25Å; Y87-Y95 WeakPolarHBondContact OH-CE1 3.35Å; Y87-F100 HydrophobicContact CD1-CE1 4.02Å; Y87-F100 HydrophobicContact CE1-CE1 4.22Å; Y87-M103 HydrophobicContact CD1-CE 3.83Å; Y87-M103 HydrophobicContact CD1-SD 4.06Å; Y87-M103 HydrophobicContact CD2-CE 4.09Å; Y87-M103 HydrophobicContact CD2-SD 4.28Å; Y87-M103 HydrophobicContact CE1-CE 4.06Å; Y87-M103 HydrophobicContact CE2-CE 4.34Å; Y87-M103 HydrophobicContact CG-CE 3.83Å; Y87-M103 HydrophobicContact CG-SD 3.73Å; Y87-W112 HydrophobicContact CD2-CH2 4.25Å; Y87-W112 HydrophobicContact CD2-CZ2 4.02Å; Y87-W112 HydrophobicContact CE2-CH2 4.2Å; Y87-W112 AromaticContact CE2-CZ2 3.52Å; Y87-W112 HydrophobicContact CE2-CZ2 3.52Å; Y87-A152 PolarHBondContact OH-O 3.47Å; Y87-F154 VanDerWaalsContact CD2-O 3.29Å; Y87-F154 WeakPolarHBondContact CD2-O 3.38Å; Y87-A155 HydrophobicContact CD2-CB 4.23Å |
| 88 | I | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | trans | -96 | 108.9 | 178.9 | -61.8 | 174.8 | 0 | 0 | 0 | 107.2 | R66 L86 M151 F169 F182 | R66-I88 HydrophobicContact CG-CG2 3.97Å; L86-I88 HydrophobicContact CG-CG1 4.42Å; I88-M151 HydrophobicContact CB-CG 4.05Å; I88-M151 HydrophobicContact CB-SD 4.21Å; I88-M151 HydrophobicContact CD1-SD 3.99Å; I88-M151 HydrophobicContact CG2-CG 3.61Å; I88-M151 HydrophobicContact CG2-SD 4Å; I88-F169 HydrophobicContact CD1-CE2 3.61Å; I88-F169 HydrophobicContact CD1-CZ 3.44Å; I88-F169 VanDerWaalsContact CD1-CZ 3.44Å; I88-F182 HydrophobicContact CD1-CE1 4.45Å | ||
| 89 | A | 98.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | trans | -116.8 | 112 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 Y87 Y95 | M1-A89 HydrophobicContact CE-CB 3.79Å; Y87-A89 HydrophobicContact CD1-CB 4Å; Y87-A89 HydrophobicContact CE1-CB 3.86Å; A89-Y95 VanDerWaalsContact C-OH 3.22Å; A89-Y95 WeakPolarHBondContact CA-OH 3.25Å; A89-Y95 HydrophobicContact CB-CE1 4.11Å; A89-Y95 HydrophobicContact CB-CE2 4.33Å; A89-Y95 VanDerWaalsContact CB-OH 3.25Å; A89-Y95 WeakPolarHBondContact CB-OH 3.36Å | ||
| 90 | D | 97 | Very high | 97.6 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | trans | -68.7 | 152.2 | 170.4 | -71.8 | 2.5 | 0 | 0 | 0 | 109.9 | R66 D92 Y95 | R66-D90 IonicContact CZ-OD1 2.79Å; R66-D90 IonicContact NE-OD1 2.74Å; R66-D90 IonicContact NH2-OD1 3.79Å; R66-D90 PolarHBondContact NH2-OD1 2.86Å; R66-D90 IonicContact NH2-OD2 3.91Å; R66-D90 PolarHBondContact NH2-OD2 2.93Å; R66-D90 VanDerWaalsContact NH2-OD2 3.16Å; D90-D92 PolarHBondContact O-N 3.06Å; D90-Y95 PolarHBondContact N-OH 2.99Å; D90-Y95 PolarHBondContact O-OH 3.16Å | ||
| 91 | D | 96.3 | Very high | 97.7 | Very high | 133 Ų | 133 | 60.5 Ų | 60.5 | 71% | 0.711 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.1 | -167.9 | 61.5 | -15.2 | 0 | 0 | 0 | 114.7 | M1 | M1-D91 HydrophobicContact SD-CB 4.44Š|
| 92 | D | 96.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -9.2 | -177.7 | 67.5 | -7.4 | 0 | 0 | 0 | 114.4 | D90 T209 | D90-D92 PolarHBondContact O-N 3.06Å; D92-T209 CarbonylContact O-C 3.4Å; D92-T209 PolarHBondContact O-OG1 3.3Å |
| 93 | N | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -77 | 159.5 | -179.7 | -85.1 | -146.8 | 0 | 0 | 0 | 111.7 | Y95 A152 T209 | N93-Y95 HydrophobicContact CB-CE1 3.93Å; N93-Y95 HydrophobicContact CB-CE2 3.76Å; N93-Y95 WeakPolarHBondContact CB-OH 3.15Å; N93-Y95 WeakPolarHBondContact O-CE2 3.44Å; N93-A152 WeakPolarHBondContact OD1-CB 3.21Å; N93-T209 WeakPolarHBondContact CA-OG1 3.49Å |
| 94 | S | 98.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 50 Ų | 50 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.2 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | V206 W207 T209 | S94-V206 WeakPolarHBondContact O-CA 3.06Å; S94-W207 PolarHBondContact N-O 3.14Å; S94-W207 PolarHBondContact O-N 3.14Å; S94-T209 PolarHBondContact N-OG1 3.42Å; S94-T209 PolarHBondContact OG-OG1 3.03Å |
| 95 | Y | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.4 | -171.4 | -49.7 | -82.7 | 0 | 0 | 0 | 112 | Y87 A89 D90 N93 F100 V206 | Y87-Y95 AromaticContact CE1-CD1 3.93Å; Y87-Y95 HydrophobicContact CE1-CD1 3.93Å; Y87-Y95 AromaticContact CE1-CE1 3.75Å; Y87-Y95 HydrophobicContact CE1-CE1 3.75Å; Y87-Y95 AromaticContact CZ-CE1 3.91Å; Y87-Y95 VanDerWaalsContact OH-CE1 3.25Å; Y87-Y95 WeakPolarHBondContact OH-CE1 3.35Å; A89-Y95 VanDerWaalsContact C-OH 3.22Å; A89-Y95 WeakPolarHBondContact CA-OH 3.25Å; A89-Y95 HydrophobicContact CB-CE1 4.11Å; A89-Y95 HydrophobicContact CB-CE2 4.33Å; A89-Y95 VanDerWaalsContact CB-OH 3.25Å; A89-Y95 WeakPolarHBondContact CB-OH 3.36Å; D90-Y95 PolarHBondContact N-OH 2.99Å; D90-Y95 PolarHBondContact O-OH 3.16Å; N93-Y95 HydrophobicContact CB-CE1 3.93Å; N93-Y95 HydrophobicContact CB-CE2 3.76Å; N93-Y95 WeakPolarHBondContact CB-OH 3.15Å; N93-Y95 WeakPolarHBondContact O-CE2 3.44Å; Y95-F100 HydrophobicContact CD1-CZ 4.41Å; Y95-F100 HydrophobicContact CG-CE2 4.39Å; Y95-F100 HydrophobicContact CG-CZ 4.05Å; Y95-V206 HydrophobicContact CD1-CG1 3.7Å; Y95-V206 HydrophobicContact CD1-CG2 4.12Å; Y95-V206 HydrophobicContact CE1-CG1 3.84Å |
| 96 | N | 98.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | trans | -78.6 | 133.2 | 169.7 | -169.8 | -76.1 | 0 | 0 | 0 | 109.9 | R98 I99 L205 W207 | N96-R98 PolarHBondContact O-N 3.07Å; N96-R98 WeakPolarHBondContact OD1-CB 3.46Å; N96-R98 WeakPolarHBondContact OD1-CG 3.17Å; N96-R98 PolarHBondContact OD1-N 3.05Å; N96-R98 VanDerWaalsContact OD1-N 3.09Å; N96-R98 PolarHBondContact OD1-NE 3.48Å; N96-R98 VanDerWaalsContact OD1-NE 3.15Å; N96-I99 WeakPolarHBondContact O-CG2 3.47Å; N96-I99 PolarHBondContact O-N 3.45Å; N96-L205 HydrophobicContact CB-CB 4.22Å; N96-L205 HydrophobicContact CB-CD2 4.26Å; N96-L205 WeakPolarHBondContact CB-O 3.43Å; N96-L205 PolarHBondContact N-O 3.46Å; N96-W207 HydrophobicContact CB-CZ3 4.2Å | ||
| 97 | L | 97.9 | Very high | 97.8 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -51.6 | -32.8 | -178 | -61.8 | 179.5 | 0 | 0 | 0 | 113.8 | T4 N7 L8 I99 F100 | T4-L97 HydrophobicContact CG2-CD2 3.74Å; T4-L97 WeakPolarHBondContact O-CD2 3.15Å; N7-L97 HydrophobicContact CB-CD1 3.71Å; N7-L97 HydrophobicContact CB-CD2 3.86Å; N7-L97 HydrophobicContact CB-CG 4.47Å; L8-L97 HydrophobicContact CD2-CD2 3.98Å; L8-L97 HydrophobicContact CG-CD2 4.35Å; L97-I99 PolarHBondContact O-N 3.11Å; L97-F100 PolarHBondContact O-N 3.22Å |
| 98 | R | 98.1 | Very high | 97.8 | Very high | 134 Ų | 134 | 58 Ų | 58 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -29.6 | -179.5 | -68.1 | -178.4 | -68.7 | -178.4 | 0.2 | 113.7 | N96 F100 E101 E102 L205 | N96-R98 PolarHBondContact O-N 3.07Å; N96-R98 WeakPolarHBondContact OD1-CB 3.46Å; N96-R98 WeakPolarHBondContact OD1-CG 3.17Å; N96-R98 PolarHBondContact OD1-N 3.05Å; N96-R98 VanDerWaalsContact OD1-N 3.09Å; N96-R98 PolarHBondContact OD1-NE 3.48Å; N96-R98 VanDerWaalsContact OD1-NE 3.15Å; R98-F100 VanDerWaalsContact C-N 3.27Å; R98-F100 PolarHBondContact O-N 3.02Å; R98-E101 PolarHBondContact O-N 2.69Å; R98-E102 WeakPolarHBondContact O-CG 3.3Å; R98-E102 PolarHBondContact O-N 3.1Å; R98-L205 HydrophobicContact CB-CD1 4.17Å; R98-L205 HydrophobicContact CB-CD2 4.36Å |
| 99 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -33.7 | -178.8 | -161.7 | 53.3 | 0 | 0 | 0 | 112 | N96 L97 E101 E102 M103 W112 L205 V206 | N96-I99 WeakPolarHBondContact O-CG2 3.47Å; N96-I99 PolarHBondContact O-N 3.45Å; L97-I99 PolarHBondContact O-N 3.11Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E102 HydrophobicContact CD1-CB 4.39Å; I99-E102 PolarHBondContact O-N 3.04Å; I99-M103 HydrophobicContact CB-CE 4.3Å; I99-M103 HydrophobicContact CG1-CE 3.84Å; I99-M103 HydrophobicContact CG2-CE 3.91Å; I99-M103 WeakPolarHBondContact O-CE 3.17Å; I99-M103 WeakPolarHBondContact O-CG 3.32Å; I99-M103 PolarHBondContact O-N 3.4Å; I99-W112 HydrophobicContact CD1-CB 4.31Å; I99-W112 HydrophobicContact CD1-CD2 3.51Å; I99-W112 HydrophobicContact CD1-CE3 3.83Å; I99-W112 HydrophobicContact CD1-CG 3.72Å; I99-W112 HydrophobicContact CD1-CH2 4.46Å; I99-W112 HydrophobicContact CD1-CZ2 4.21Å; I99-W112 HydrophobicContact CD1-CZ3 4.3Å; I99-W112 HydrophobicContact CG1-CD2 3.97Å; I99-W112 HydrophobicContact CG1-CE3 4.45Å; I99-W112 HydrophobicContact CG1-CG 4.37Å; I99-W112 HydrophobicContact CG1-CH2 4.27Å; I99-W112 HydrophobicContact CG1-CZ2 3.79Å; I99-L205 HydrophobicContact CB-CB 3.87Å; I99-L205 HydrophobicContact CB-CD1 4.41Å; I99-L205 HydrophobicContact CD1-CB 4.17Å; I99-L205 HydrophobicContact CD1-CD1 4.04Å; I99-L205 HydrophobicContact CG1-CB 4.32Å; I99-V206 HydrophobicContact CB-CG2 4.16Å; I99-V206 HydrophobicContact CG1-CG2 3.92Å; I99-V206 HydrophobicContact CG2-CG2 3.8Å |
| 100 | F | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.7 | -61 | -84.4 | 0 | 0 | 0 | 110.8 | T4 L5 L8 Y87 Y95 L97 R98 M103 R104 | T4-F100 HydrophobicContact CG2-CE2 4.21Å; L5-F100 HydrophobicContact CD2-CE1 4.17Å; L5-F100 HydrophobicContact CD2-CZ 4.07Å; L8-F100 HydrophobicContact CD1-CB 3.79Å; L8-F100 HydrophobicContact CD1-CD1 3.54Å; L8-F100 HydrophobicContact CD1-CD2 3.62Å; L8-F100 HydrophobicContact CD1-CE1 3.93Å; L8-F100 HydrophobicContact CD1-CE2 4Å; L8-F100 HydrophobicContact CD1-CG 3.36Å; L8-F100 HydrophobicContact CD1-CZ 4.14Å; L8-F100 HydrophobicContact CD2-CB 3.64Å; L8-F100 HydrophobicContact CD2-CD2 4Å; L8-F100 HydrophobicContact CD2-CG 3.96Å; L8-F100 HydrophobicContact CG-CB 4.36Å; L8-F100 HydrophobicContact CG-CD2 4.43Å; L8-F100 HydrophobicContact CG-CG 4.31Å; Y87-F100 HydrophobicContact CD1-CE1 4.02Å; Y87-F100 HydrophobicContact CE1-CE1 4.22Å; Y95-F100 HydrophobicContact CD1-CZ 4.41Å; Y95-F100 HydrophobicContact CG-CE2 4.39Å; Y95-F100 HydrophobicContact CG-CZ 4.05Å; L97-F100 PolarHBondContact O-N 3.22Å; R98-F100 VanDerWaalsContact C-N 3.27Å; R98-F100 PolarHBondContact O-N 3.02Å; F100-M103 HydrophobicContact CD1-CE 4.12Å; F100-M103 HydrophobicContact CD1-SD 4.26Å; F100-M103 HydrophobicContact CG-CE 4.47Å; F100-M103 WeakPolarHBondContact O-CG 3.32Å; F100-R104 WeakPolarHBondContact O-CG 3.49Å; F100-R104 PolarHBondContact O-N 3.39Å |
| 101 | E | 97.4 | Very high | 97.9 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 175 | -61.2 | -51.2 | 135.8 | 0 | 0 | 112.5 | R98 I99 R104 | R98-E101 PolarHBondContact O-N 2.69Å; I99-E101 VanDerWaalsContact C-N 3.34Å; E101-R104 VanDerWaalsContact CD-NE 3.35Å; E101-R104 IonicContact OE1-CZ 3.63Å; E101-R104 IonicContact OE1-NE 3.21Å; E101-R104 PolarHBondContact OE1-NE 2.98Å; E101-R104 IonicContact OE1-NH2 3.71Å; E101-R104 PolarHBondContact OE1-NH2 3.5Å; E101-R104 WeakPolarHBondContact OE2-CD 3.42Å; E101-R104 IonicContact OE2-CZ 3.84Å; E101-R104 IonicContact OE2-NE 3.54Å; E101-R104 PolarHBondContact OE2-NE 2.85Å; E101-R104 IonicContact OE2-NH2 3.81Å |
| 102 | E | 97.7 | Very high | 98 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.8 | -65.7 | -98.3 | 165.4 | 0 | 0 | 111.5 | R98 I99 R104 G105 L197 A198 | R98-E102 WeakPolarHBondContact O-CG 3.3Å; R98-E102 PolarHBondContact O-N 3.1Å; I99-E102 HydrophobicContact CD1-CB 4.39Å; I99-E102 PolarHBondContact O-N 3.04Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.5Å; E102-G105 PolarHBondContact O-N 2.78Å; E102-L197 HydrophobicContact CB-CB 4.37Å; E102-L197 HydrophobicContact CB-CD1 4.16Å; E102-A198 PolarHBondContact OE2-N 3.36Å |
| 103 | M | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.054 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -20 | -173.9 | 71.8 | 179.8 | 68.6 | 0 | 0 | 113.7 | V85 Y87 I99 F100 G105 T106 W112 A155 L197 | V85-M103 WeakPolarHBondContact CG2-O 3.47Å; Y87-M103 HydrophobicContact CD1-CE 3.83Å; Y87-M103 HydrophobicContact CD1-SD 4.06Å; Y87-M103 HydrophobicContact CD2-CE 4.09Å; Y87-M103 HydrophobicContact CD2-SD 4.28Å; Y87-M103 HydrophobicContact CE1-CE 4.06Å; Y87-M103 HydrophobicContact CE2-CE 4.34Å; Y87-M103 HydrophobicContact CG-CE 3.83Å; Y87-M103 HydrophobicContact CG-SD 3.73Å; I99-M103 HydrophobicContact CB-CE 4.3Å; I99-M103 HydrophobicContact CG1-CE 3.84Å; I99-M103 HydrophobicContact CG2-CE 3.91Å; I99-M103 WeakPolarHBondContact O-CE 3.17Å; I99-M103 WeakPolarHBondContact O-CG 3.32Å; I99-M103 PolarHBondContact O-N 3.4Å; F100-M103 HydrophobicContact CD1-CE 4.12Å; F100-M103 HydrophobicContact CD1-SD 4.26Å; F100-M103 HydrophobicContact CG-CE 4.47Å; F100-M103 WeakPolarHBondContact O-CG 3.32Å; M103-G105 PolarHBondContact O-N 2.84Å; M103-G105 VanDerWaalsContact O-N 3.09Å; M103-T106 WeakPolarHBondContact O-CB 3.42Å; M103-T106 PolarHBondContact O-N 3.45Å; M103-T106 PolarHBondContact O-OG1 2.99Å; M103-W112 HydrophobicContact CB-CH2 3.91Å; M103-W112 HydrophobicContact CB-CZ3 4Å; M103-W112 HydrophobicContact CE-CH2 3.65Å; M103-W112 HydrophobicContact CE-CZ2 3.81Å; M103-W112 HydrophobicContact SD-CH2 4.41Å; M103-A155 HydrophobicContact CB-CB 4.03Å; M103-A155 HydrophobicContact SD-CB 4.24Å; M103-L197 HydrophobicContact CB-CD1 4.33Å |
| 104 | R | 97.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 44 Ų | 44 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.1 | 175.8 | -76.5 | 175.8 | -158.9 | -69.4 | -1.9 | 113 | K9 D10 F100 E101 E102 T106 | K9-R104 PolarHBondContact O-NH1 3.36Å; K9-R104 PolarHBondContact O-NH2 3.31Å; D10-R104 PolarHBondContact O-NH1 3.03Å; F100-R104 WeakPolarHBondContact O-CG 3.49Å; F100-R104 PolarHBondContact O-N 3.39Å; E101-R104 VanDerWaalsContact CD-NE 3.35Å; E101-R104 IonicContact OE1-CZ 3.63Å; E101-R104 IonicContact OE1-NE 3.21Å; E101-R104 PolarHBondContact OE1-NE 2.98Å; E101-R104 IonicContact OE1-NH2 3.71Å; E101-R104 PolarHBondContact OE1-NH2 3.5Å; E101-R104 WeakPolarHBondContact OE2-CD 3.42Å; E101-R104 IonicContact OE2-CZ 3.84Å; E101-R104 IonicContact OE2-NE 3.54Å; E101-R104 PolarHBondContact OE2-NE 2.85Å; E101-R104 IonicContact OE2-NH2 3.81Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.5Å; R104-T106 VanDerWaalsContact C-N 3.32Å; R104-T106 PolarHBondContact O-N 3.46Å |
| 105 | G | 96.8 | Very high | 98.2 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 8.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E102 M103 N107 | E102-G105 PolarHBondContact O-N 2.78Å; M103-G105 PolarHBondContact O-N 2.84Å; M103-G105 VanDerWaalsContact O-N 3.09Å; G105-N107 PolarHBondContact O-N 2.69Å |
| 106 | T | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | trans | -63.8 | 121.3 | -175.8 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | M103 R104 S110 N157 | M103-T106 WeakPolarHBondContact O-CB 3.42Å; M103-T106 PolarHBondContact O-N 3.45Å; M103-T106 PolarHBondContact O-OG1 2.99Å; R104-T106 VanDerWaalsContact C-N 3.32Å; R104-T106 PolarHBondContact O-N 3.46Å; T106-S110 WeakPolarHBondContact OG1-CB 3.46Å; T106-S110 PolarHBondContact OG1-OG 2.79Å; T106-N157 PolarHBondContact O-ND2 3.5Å | ||
| 107 | N | 97.9 | Very high | 98 | Very high | 121 Ų | 121 | 44 Ų | 44 | 65% | 0.647 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -84.5 | -44.6 | 179.7 | -61 | -73.4 | 0 | 0 | 0 | 112.7 | G105 N157 E195 | G105-N107 PolarHBondContact O-N 2.69Å; N107-N157 WeakPolarHBondContact O-CB 3.38Å; N107-N157 PolarHBondContact O-ND2 2.87Å; N107-E195 WeakPolarHBondContact CB-OE1 3.06Å; N107-E195 WeakPolarHBondContact CB-OE2 3.34Å; N107-E195 PolarHBondContact N-OE1 3.38Å; N107-E195 PolarHBondContact N-OE2 3.44Å; N107-E195 PolarHBondContact ND2-OE2 3.29Å |
| 108 | K | 97.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 42.4 Ų | 42.4 | 55% | 0.548 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -125.2 | -72.6 | 176 | -70.2 | -175.8 | 177.2 | -177.4 | 0 | 110.3 | N157 E195 | K108-N157 PolarHBondContact O-N 3.4Å; K108-E195 PolarHBondContact N-OE1 2.67Å |
| 109 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 123.3 | 178.5 | -176 | 0 | 0 | 0 | 0 | 108 | F154 A155 V156 L160 L183 L188 L194 E195 | V109-F154 HydrophobicContact CG1-CB 4.36Å; V109-F154 HydrophobicContact CG1-CD2 4.32Å; V109-A155 VanDerWaalsContact CA-O 3.29Å; V109-A155 WeakPolarHBondContact CA-O 3.44Å; V109-A155 WeakPolarHBondContact CG1-O 3.45Å; V109-V156 HydrophobicContact CG1-CG2 4.34Å; V109-V156 HydrophobicContact CG2-CG1 4.21Å; V109-V156 HydrophobicContact CG2-CG2 4.26Å; V109-L160 HydrophobicContact CG2-CD2 3.72Å; V109-L183 HydrophobicContact CG1-CD2 3.77Å; V109-L183 HydrophobicContact CG2-CD2 4.23Å; V109-L188 HydrophobicContact CB-CD2 3.93Å; V109-L188 HydrophobicContact CG1-CD2 4.43Å; V109-L188 HydrophobicContact CG2-CD1 3.68Å; V109-L188 HydrophobicContact CG2-CD2 3.77Å; V109-L188 HydrophobicContact CG2-CG 4.35Å; V109-L194 HydrophobicContact CB-CD2 3.84Å; V109-L194 HydrophobicContact CG1-CD2 3.45Å; V109-L194 VanDerWaalsContact CG1-CD2 3.45Å; V109-L194 WeakPolarHBondContact O-CA 3.37Å; V109-E195 PolarHBondContact N-OE1 3.41Å; V109-E195 PolarHBondContact O-N 3.04Å |
| 110 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 158.1 | 176.5 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | T106 W112 F154 A155 E195 | T106-S110 WeakPolarHBondContact OG1-CB 3.46Å; T106-S110 PolarHBondContact OG1-OG 2.79Å; S110-W112 WeakPolarHBondContact OG-CZ3 3.44Å; S110-F154 WeakPolarHBondContact O-CA 3.25Å; S110-F154 WeakPolarHBondContact O-CB 3.48Å; S110-A155 PolarHBondContact N-O 3.04Å; S110-A155 PolarHBondContact O-N 3.27Å; S110-A155 VanDerWaalsContact O-N 3.12Å; S110-E195 CarbonylContact C-O 3.55Å; S110-E195 VanDerWaalsContact CA-O 3.23Å; S110-E195 WeakPolarHBondContact CA-O 3.13Å |
| 111 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157 | -179.3 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | C125 I134 G153 L194 E195 L197 | T111-C125 HydrophobicContact CG2-CB 4.02Å; T111-I134 HydrophobicContact CG2-CD1 3.55Å; T111-G153 VanDerWaalsContact CA-O 3.25Å; T111-G153 WeakPolarHBondContact CA-O 3.15Å; T111-G153 WeakPolarHBondContact CB-O 3.4Å; T111-G153 PolarHBondContact OG1-O 3.44Å; T111-L194 HydrophobicContact CG2-CB 3.51Å; T111-L194 HydrophobicContact CG2-CD1 3.76Å; T111-L194 HydrophobicContact CG2-CG 4.26Å; T111-E195 PolarHBondContact N-O 2.74Å; T111-L197 PolarHBondContact O-N 3.3Å |
| 112 | W | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | trans | -154.1 | 163.9 | 179.3 | 48.3 | 85 | 0 | 0 | 0 | 111 | Y87 I99 M103 S110 A152 G153 A155 L197 A198 | Y87-W112 HydrophobicContact CD2-CH2 4.25Å; Y87-W112 HydrophobicContact CD2-CZ2 4.02Å; Y87-W112 HydrophobicContact CE2-CH2 4.2Å; Y87-W112 AromaticContact CE2-CZ2 3.52Å; Y87-W112 HydrophobicContact CE2-CZ2 3.52Å; I99-W112 HydrophobicContact CD1-CB 4.31Å; I99-W112 HydrophobicContact CD1-CD2 3.51Å; I99-W112 HydrophobicContact CD1-CE3 3.83Å; I99-W112 HydrophobicContact CD1-CG 3.72Å; I99-W112 HydrophobicContact CD1-CH2 4.46Å; I99-W112 HydrophobicContact CD1-CZ2 4.21Å; I99-W112 HydrophobicContact CD1-CZ3 4.3Å; I99-W112 HydrophobicContact CG1-CD2 3.97Å; I99-W112 HydrophobicContact CG1-CE3 4.45Å; I99-W112 HydrophobicContact CG1-CG 4.37Å; I99-W112 HydrophobicContact CG1-CH2 4.27Å; I99-W112 HydrophobicContact CG1-CZ2 3.79Å; M103-W112 HydrophobicContact CB-CH2 3.91Å; M103-W112 HydrophobicContact CB-CZ3 4Å; M103-W112 HydrophobicContact CE-CH2 3.65Å; M103-W112 HydrophobicContact CE-CZ2 3.81Å; M103-W112 HydrophobicContact SD-CH2 4.41Å; S110-W112 WeakPolarHBondContact OG-CZ3 3.44Å; W112-A152 PolarHBondContact NE1-O 2.8Å; W112-G153 PolarHBondContact N-O 2.95Å; W112-G153 VanDerWaalsContact N-O 3.13Å; W112-A155 HydrophobicContact CH2-CB 3.64Å; W112-A155 HydrophobicContact CZ3-CB 4.14Å; W112-L197 HydrophobicContact CE3-CB 4.18Å; W112-L197 HydrophobicContact CE3-CD1 4.07Å; W112-L197 HydrophobicContact CZ3-CD1 3.91Å; W112-A198 HydrophobicContact CB-CB 3.85Å | ||
| 113 | P | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | trans | -65 | 140.9 | 171 | -26.3 | 38 | 0 | 0 | 0 | 113.4 | W122 E123 C201 I204 | P113-W122 HydrophobicContact CB-CE3 3.84Å; P113-W122 HydrophobicContact CB-CZ3 4.31Å; P113-W122 HydrophobicContact CG-CE3 4.36Å; P113-W122 HydrophobicContact CG-CZ3 4.35Å; P113-E123 CarbonylContact C-O 3.6Å; P113-E123 WeakPolarHBondContact CA-O 3.39Å; P113-C201 HydrophobicContact CG-CB 3.74Å; P113-C201 WeakPolarHBondContact CG-O 3.43Å; P113-I204 HydrophobicContact CB-CD1 3.38Å; P113-I204 HydrophobicContact CG-CD1 4.36Å | ||
| 114 | V | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.2 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | A117 W122 E123 D150 H208 | V114-A117 HydrophobicContact CB-CB 3.94Å; V114-A117 HydrophobicContact CG1-CB 3.85Å; V114-W122 CarbonylContact O-C 3.49Å; V114-W122 WeakPolarHBondContact O-CA 3.13Å; V114-W122 WeakPolarHBondContact O-CB 3.29Å; V114-E123 PolarHBondContact N-O 3.25Å; V114-E123 PolarHBondContact O-N 3.37Å; V114-D150 HydrophobicContact CB-CB 4.49Å; V114-D150 HydrophobicContact CG2-CB 4.33Å; V114-H208 HydrophobicContact CG1-CB 4.03Å |
| 115 | G | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 143.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A117 P121 V206 W207 H208 | G115-A117 PolarHBondContact O-N 2.79Å; G115-P121 WeakPolarHBondContact CA-O 3.36Å; G115-V206 PolarHBondContact N-O 2.73Å; G115-W207 WeakPolarHBondContact O-CA 3.42Å; G115-H208 PolarHBondContact O-N 3.27Å |
| 116 | F | 97.4 | Very high | 97.4 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 54% | 0.544 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 8.5 | 177.6 | -45.8 | -41.5 | 0 | 0 | 0 | 116.2 | L120 P121 W207 | F116-L120 CarbonylContact C-O 3.59Å; F116-L120 WeakPolarHBondContact CA-O 3.33Å; F116-L120 PolarHBondContact N-O 3.28Å; F116-P121 PolarHBondContact N-O 3.38Å; F116-W207 HydrophobicContact CD2-CB 4.19Å; F116-W207 AromaticContact CD2-CD1 3.79Å; F116-W207 HydrophobicContact CD2-CG 4.4Å; F116-W207 AromaticContact CE2-CD1 3.53Å; F116-W207 HydrophobicContact CE2-CG 4.34Å |
| 117 | A | 95.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -75.1 | 149 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V114 G115 E119 L120 E123 D150 H208 | V114-A117 HydrophobicContact CB-CB 3.94Å; V114-A117 HydrophobicContact CG1-CB 3.85Å; G115-A117 PolarHBondContact O-N 2.79Å; A117-E119 PolarHBondContact O-N 2.89Å; A117-E119 VanDerWaalsContact O-N 3.14Å; A117-L120 PolarHBondContact O-N 2.91Å; A117-E123 HydrophobicContact CB-CB 3.84Å; A117-D150 HydrophobicContact CB-CB 3.93Å; A117-H208 HydrophobicContact CB-CB 4.41Å |
| 118 | G | 92.2 | Very high | 97.4 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | 60.4 | 24.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L120 E123 | G118-L120 PolarHBondContact O-N 2.98Å; G118-E123 PolarHBondContact N-OE2 3.21Å |
| 119 | E | 91.7 | Very high | 97.3 | Very high | 189 Ų | 189 | 39.6 Ų | 39.6 | 88% | 0.883 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | 60.6 | 22.9 | -172.8 | -58.3 | 176.4 | -169.4 | 0 | 0 | 113.8 | A117 | A117-E119 PolarHBondContact O-N 2.89Å; A117-E119 VanDerWaalsContact O-N 3.14Å |
| 120 | L | 96 | Very high | 97.1 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -108.5 | 157.7 | 175.8 | -61.5 | 174.8 | 0 | 0 | 0 | 110.5 | F116 A117 G118 W122 V140 | F116-L120 CarbonylContact C-O 3.59Å; F116-L120 WeakPolarHBondContact CA-O 3.33Å; F116-L120 PolarHBondContact N-O 3.28Å; A117-L120 PolarHBondContact O-N 2.91Å; G118-L120 PolarHBondContact O-N 2.98Å; L120-W122 VanDerWaalsContact CB-O 3.27Å; L120-W122 WeakPolarHBondContact CB-O 3.38Å; L120-W122 PolarHBondContact O-N 3.09Å; L120-W122 VanDerWaalsContact O-N 3.11Å; L120-V140 HydrophobicContact CD1-CB 4.37Å; L120-V140 HydrophobicContact CD1-CG2 4.07Å; L120-V140 HydrophobicContact CD2-CB 4.37Å; L120-V140 HydrophobicContact CD2-CG2 3.91Å |
| 121 | P | 97.2 | Very high | 97 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 66% | 0.662 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -52.5 | -33.2 | 167.8 | -27 | 35.6 | 0 | 0 | 0 | 112.3 | G115 F116 | G115-P121 WeakPolarHBondContact CA-O 3.36Å; F116-P121 PolarHBondContact N-O 3.38Å |
| 122 | W | 98.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 55 Ų | 55 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 156.2 | 167.1 | 62.5 | -80.2 | 0 | 0 | 0 | 111.1 | P113 V114 L120 V126 W138 I204 | P113-W122 HydrophobicContact CB-CE3 3.84Å; P113-W122 HydrophobicContact CB-CZ3 4.31Å; P113-W122 HydrophobicContact CG-CE3 4.36Å; P113-W122 HydrophobicContact CG-CZ3 4.35Å; V114-W122 CarbonylContact O-C 3.49Å; V114-W122 WeakPolarHBondContact O-CA 3.13Å; V114-W122 WeakPolarHBondContact O-CB 3.29Å; L120-W122 VanDerWaalsContact CB-O 3.27Å; L120-W122 WeakPolarHBondContact CB-O 3.38Å; L120-W122 PolarHBondContact O-N 3.09Å; L120-W122 VanDerWaalsContact O-N 3.11Å; W122-V126 HydrophobicContact CH2-CG2 3.83Å; W122-V126 HydrophobicContact CZ3-CG2 4.28Å; W122-W138 AromaticContact CD2-CD1 3.81Å; W122-W138 AromaticContact CE2-CD1 3.83Å; W122-W138 AromaticContact CE3-CD1 3.74Å; W122-W138 HydrophobicContact CH2-CB 3.9Å; W122-W138 AromaticContact CH2-CD1 3.8Å; W122-W138 AromaticContact CH2-CG 3.97Å; W122-W138 HydrophobicContact CH2-CG 3.97Å; W122-W138 AromaticContact CZ2-CD1 3.83Å; W122-W138 HydrophobicContact CZ2-CG 4.25Å; W122-W138 HydrophobicContact CZ3-CB 3.85Å; W122-W138 AromaticContact CZ3-CD1 3.75Å; W122-W138 HydrophobicContact CZ3-CG 4.1Å; W122-W138 PolarHBondContact O-NE1 3.14Å; W122-W138 VanDerWaalsContact O-NE1 3.15Å; W122-I204 HydrophobicContact CB-CD1 3.67Å; W122-I204 HydrophobicContact CD2-CD1 4.37Å; W122-I204 HydrophobicContact CG-CD1 3.98Å |
| 123 | E | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.6 | 173.1 | -167 | -179 | -174.3 | 0 | 0 | 108.9 | P113 V114 A117 G118 W138 S139 R145 | P113-E123 CarbonylContact C-O 3.6Å; P113-E123 WeakPolarHBondContact CA-O 3.39Å; V114-E123 PolarHBondContact N-O 3.25Å; V114-E123 PolarHBondContact O-N 3.37Å; A117-E123 HydrophobicContact CB-CB 3.84Å; G118-E123 PolarHBondContact N-OE2 3.21Å; E123-W138 WeakPolarHBondContact CA-O 3.4Å; E123-W138 WeakPolarHBondContact CG-O 3.25Å; E123-S139 WeakPolarHBondContact OE1-CB 3.49Å; E123-S139 PolarHBondContact OE1-OG 3.08Å; E123-R145 IonicContact OE1-NH2 2.98Å; E123-R145 PolarHBondContact OE1-NH2 3.07Å |
| 124 | G | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139 | -158.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W138 | G124-W138 PolarHBondContact N-O 3.29Å; G124-W138 PolarHBondContact O-N 2.86Å |
| 125 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 148.4 | -174 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | T111 I134 M137 C201 | T111-C125 HydrophobicContact CG2-CB 4.02Å; C125-I134 HydrophobicContact CB-CD1 3.9Å; C125-I134 HydrophobicContact CB-CG1 4.08Å; C125-I134 HydrophobicContact CB-CG2 4Å; C125-M137 HydrophobicContact CB-CE 4.23Å; C125-M137 HydrophobicContact CB-SD 4.08Å; C125-C201 HydrophobicContact CB-CB 3.98Å; C125-C201 WeakPolarHBondContact CB-SG 3.32Å; C125-C201 WeakPolarHBondContact O-CB 3.46Å; C125-C201 WeakPolarHBondContact SG-CB 3.28Å; C125-C201 CovalentContact SG-SG 2.02Å; C125-C201 PolarHBondContact SG-SG 2.89Å |
| 126 | V | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 122.4 | 169 | -176 | 0 | 0 | 0 | 0 | 108.6 | W122 V135 R136 W138 | W122-V126 HydrophobicContact CH2-CG2 3.83Å; W122-V126 HydrophobicContact CZ3-CG2 4.28Å; V126-V135 VanDerWaalsContact O-CG2 3.29Å; V126-V135 WeakPolarHBondContact O-CG2 3.48Å; V126-V135 PolarHBondContact O-N 3.34Å; V126-R136 HydrophobicContact CB-CG 3.79Å; V126-R136 HydrophobicContact CG1-CG 4.34Å; V126-R136 HydrophobicContact CG2-CG 4.18Å; V126-R136 PolarHBondContact N-O 3.43Å; V126-R136 PolarHBondContact O-N 2.83Å; V126-W138 HydrophobicContact CG2-CB 3.9Å |
| 127 | T | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 163.1 | -177.8 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | Q133 I134 P196 G200 C201 | T127-Q133 CarbonylContact C-O 3.46Å; T127-Q133 WeakPolarHBondContact CA-O 3.21Å; T127-Q133 WeakPolarHBondContact CB-O 3.27Å; T127-I134 HydrophobicContact CG2-CG1 4.42Å; T127-P196 HydrophobicContact CG2-CB 3.56Å; T127-P196 HydrophobicContact CG2-CG 3.99Å; T127-G200 WeakPolarHBondContact CG2-O 3.42Å; T127-G200 PolarHBondContact OG1-O 2.83Å; T127-C201 HydrophobicContact CG2-CB 4.19Å |
| 128 | S | 97.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 69.3 Ų | 69.3 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | trans | -53.3 | 167.7 | 163.5 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | N130 R131 Q133 | S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 WeakPolarHBondContact CB-OD1 3.18Å; S128-N130 PolarHBondContact O-N 3.04Å; S128-N130 PolarHBondContact OG-OD1 3.36Å; S128-R131 PolarHBondContact O-N 3.02Å; S128-Q133 PolarHBondContact N-O 2.97Å; S128-Q133 PolarHBondContact OG-N 3.24Å; S128-Q133 PolarHBondContact OG-O 2.93Å | ||
| 129 | K | 95.6 | Very high | 96.8 | Very high | 207 Ų | 207 | 68.3 Ų | 68.3 | 90% | 0.9 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.5 | 178.7 | -69.7 | -175.1 | 178.9 | -179.4 | 0 | 113.1 | R131 | K129-R131 PolarHBondContact O-N 2.86Š|
| 130 | N | 95.7 | Very high | 96.9 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3.7 | 177.1 | 67.2 | -8.6 | 0 | 0 | 0 | 113.7 | S128 T132 | S128-N130 VanDerWaalsContact C-N 3.26Å; S128-N130 WeakPolarHBondContact CB-OD1 3.18Å; S128-N130 PolarHBondContact O-N 3.04Å; S128-N130 PolarHBondContact OG-OD1 3.36Å; N130-T132 PolarHBondContact ND2-OG1 2.9Å; N130-T132 PolarHBondContact O-N 2.89Å; N130-T132 VanDerWaalsContact O-N 3.11Å; N130-T132 PolarHBondContact OD1-OG1 3.15Å |
| 131 | R | 95.7 | Very high | 96.7 | Very high | 114 Ų | 114 | 66.5 Ų | 66.5 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 66.8 | 6.5 | 171.6 | -59.3 | 179.4 | -168.8 | -171.8 | -1.7 | 116.4 | S128 K129 D199 | S128-R131 PolarHBondContact O-N 3.02Å; K129-R131 PolarHBondContact O-N 2.86Å; R131-D199 IonicContact CZ-OD1 2.8Å; R131-D199 IonicContact CZ-OD2 3.71Å; R131-D199 IonicContact NH1-OD1 3.52Å; R131-D199 PolarHBondContact NH1-OD1 3.27Å; R131-D199 IonicContact NH1-OD2 2.65Å; R131-D199 PolarHBondContact NH1-OD2 2.95Å |
| 132 | T | 92.7 | Very high | 96.4 | Very high | 99 Ų | 99 | 64.4 Ų | 64.4 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -97.1 | -23.4 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | N130 | N130-T132 PolarHBondContact ND2-OG1 2.9Å; N130-T132 PolarHBondContact O-N 2.89Å; N130-T132 VanDerWaalsContact O-N 3.11Å; N130-T132 PolarHBondContact OD1-OG1 3.15Å |
| 133 | Q | 95.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 64.2 Ų | 64.2 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -124 | 128.7 | -175.1 | -175.2 | -177.1 | -6.2 | 0 | 0 | 110.4 | T127 S128 V135 | T127-Q133 CarbonylContact C-O 3.46Å; T127-Q133 WeakPolarHBondContact CA-O 3.21Å; T127-Q133 WeakPolarHBondContact CB-O 3.27Å; S128-Q133 PolarHBondContact N-O 2.97Å; S128-Q133 PolarHBondContact OG-N 3.24Å; S128-Q133 PolarHBondContact OG-O 2.93Å; Q133-V135 PolarHBondContact O-N 3.28Å |
| 134 | I | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 122.9 | 168.7 | -55.2 | 172.8 | 0 | 0 | 0 | 107.7 | T111 C125 T127 R136 M137 W191 L194 P196 | T111-I134 HydrophobicContact CG2-CD1 3.55Å; C125-I134 HydrophobicContact CB-CD1 3.9Å; C125-I134 HydrophobicContact CB-CG1 4.08Å; C125-I134 HydrophobicContact CB-CG2 4Å; T127-I134 HydrophobicContact CG2-CG1 4.42Å; I134-R136 WeakPolarHBondContact CG2-O 3.34Å; I134-M137 HydrophobicContact CG2-SD 3.8Å; I134-W191 HydrophobicContact CB-CE3 4.13Å; I134-W191 HydrophobicContact CB-CZ3 4.12Å; I134-W191 HydrophobicContact CG2-CE3 3.54Å; I134-W191 HydrophobicContact CG2-CZ3 3.62Å; I134-W191 WeakPolarHBondContact O-CZ3 3.3Å; I134-L194 HydrophobicContact CD1-CB 3.79Å; I134-L194 WeakPolarHBondContact CD1-O 3.38Å; I134-P196 HydrophobicContact CD1-CB 4.35Å; I134-P196 HydrophobicContact CG1-CB 3.93Å; I134-P196 HydrophobicContact CG1-CG 4.21Å |
| 135 | V | 97.8 | Very high | 96 | Very high | 76 Ų | 76 | 71 Ų | 71 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -25.3 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | V126 Q133 W191 | V126-V135 VanDerWaalsContact O-CG2 3.29Å; V126-V135 WeakPolarHBondContact O-CG2 3.48Å; V126-V135 PolarHBondContact O-N 3.34Å; Q133-V135 PolarHBondContact O-N 3.28Å; V135-W191 WeakPolarHBondContact O-CH2 3.39Å |
| 136 | R | 97.7 | Very high | 95.9 | Very high | 114 Ų | 114 | 73 Ų | 73 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 165.3 | 174 | 66.6 | -178.5 | -178.5 | 89.9 | -3.6 | 110 | V126 I134 W138 | V126-R136 HydrophobicContact CB-CG 3.79Å; V126-R136 HydrophobicContact CG1-CG 4.34Å; V126-R136 HydrophobicContact CG2-CG 4.18Å; V126-R136 PolarHBondContact N-O 3.43Å; V126-R136 PolarHBondContact O-N 2.83Å; I134-R136 WeakPolarHBondContact CG2-O 3.34Å; R136-W138 VanDerWaalsContact NH1-CE3 3.34Å |
| 137 | M | 98 | Very high | 95.9 | Very high | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144.2 | 165.1 | -55.8 | -58.3 | -68 | 0 | 0 | 109.5 | C125 I134 P148 I149 W191 | C125-M137 HydrophobicContact CB-CE 4.23Å; C125-M137 HydrophobicContact CB-SD 4.08Å; I134-M137 HydrophobicContact CG2-SD 3.8Å; M137-P148 HydrophobicContact CB-CG 3.47Å; M137-P148 VanDerWaalsContact CB-CG 3.47Å; M137-P148 HydrophobicContact CG-CG 3.72Å; M137-I149 HydrophobicContact CE-CG2 3.15Å; M137-W191 HydrophobicContact CG-CB 3.87Å; M137-W191 HydrophobicContact CG-CD2 3.64Å; M137-W191 HydrophobicContact CG-CE3 4.18Å; M137-W191 HydrophobicContact CG-CG 3.47Å; M137-W191 VanDerWaalsContact CG-CG 3.47Å; M137-W191 HydrophobicContact SD-CB 3.85Å; M137-W191 HydrophobicContact SD-CD2 4.09Å; M137-W191 HydrophobicContact SD-CE3 4.13Å; M137-W191 HydrophobicContact SD-CG 3.99Å |
| 138 | W | 97.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 71.8 Ų | 71.8 | 34% | 0.341 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 103.6 | 172.6 | 176.7 | -114.2 | 0 | 0 | 0 | 108.6 | W122 E123 G124 V126 R136 | W122-W138 AromaticContact CD2-CD1 3.81Å; W122-W138 AromaticContact CE2-CD1 3.83Å; W122-W138 AromaticContact CE3-CD1 3.74Å; W122-W138 HydrophobicContact CH2-CB 3.9Å; W122-W138 AromaticContact CH2-CD1 3.8Å; W122-W138 AromaticContact CH2-CG 3.97Å; W122-W138 HydrophobicContact CH2-CG 3.97Å; W122-W138 AromaticContact CZ2-CD1 3.83Å; W122-W138 HydrophobicContact CZ2-CG 4.25Å; W122-W138 HydrophobicContact CZ3-CB 3.85Å; W122-W138 AromaticContact CZ3-CD1 3.75Å; W122-W138 HydrophobicContact CZ3-CG 4.1Å; W122-W138 PolarHBondContact O-NE1 3.14Å; W122-W138 VanDerWaalsContact O-NE1 3.15Å; E123-W138 WeakPolarHBondContact CA-O 3.4Å; E123-W138 WeakPolarHBondContact CG-O 3.25Å; G124-W138 PolarHBondContact N-O 3.29Å; G124-W138 PolarHBondContact O-N 2.86Å; V126-W138 HydrophobicContact CG2-CB 3.9Å; R136-W138 VanDerWaalsContact NH1-CE3 3.34Å |
| 139 | S | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | trans | -156.5 | 145 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | E123 Y141 R145 | E123-S139 WeakPolarHBondContact OE1-CB 3.49Å; E123-S139 PolarHBondContact OE1-OG 3.08Å; S139-Y141 PolarHBondContact OG-O 3.41Å; S139-R145 PolarHBondContact OG-NH2 3.35Å | ||
| 140 | V | 94.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 58% | 0.576 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -107.6 | -32.6 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L120 K142 P143 | L120-V140 HydrophobicContact CD1-CB 4.37Å; L120-V140 HydrophobicContact CD1-CG2 4.07Å; L120-V140 HydrophobicContact CD2-CB 4.37Å; L120-V140 HydrophobicContact CD2-CG2 3.91Å; V140-K142 PolarHBondContact O-N 3.43Å; V140-P143 WeakPolarHBondContact O-CD 3.44Å |
| 141 | Y | 90.7 | Very high | 96 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -83.3 | 109.8 | 177.9 | -176.2 | -102.3 | 0 | 0 | 0 | 110.9 | S139 R145 | S139-Y141 PolarHBondContact OG-O 3.41Å; Y141-R145 PolarHBondContact O-NE 3.05Å; Y141-R145 PolarHBondContact O-NH2 3.39Å; Y141-R145 VanDerWaalsContact O-NH2 3.15Å |
| 142 | K | 91.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 52 Ų | 52 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 50.6 | 62.8 | -178.9 | -58.1 | -174.2 | 176.3 | -174 | 0 | 112 | V140 E144 R145 R175 | V140-K142 PolarHBondContact O-N 3.43Å; K142-E144 VanDerWaalsContact CA-OE2 3.27Å; K142-E144 WeakPolarHBondContact CA-OE2 3.27Å; K142-E144 PolarHBondContact O-N 3.27Å; K142-R145 HydrophobicContact CB-CG 3.85Å; K142-R145 WeakPolarHBondContact O-CB 3.49Å; K142-R145 WeakPolarHBondContact O-CG 3.39Å; K142-R145 PolarHBondContact O-N 2.94Å; K142-R145 PolarHBondContact O-NE 3.34Å; K142-R175 PolarHBondContact NZ-O 3.06Å |
| 143 | P | 94.5 | Very high | 96.4 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.6 | -178.5 | 29.2 | -37 | 0 | 0 | 0 | 113.2 | V140 R145 | V140-P143 WeakPolarHBondContact O-CD 3.44Å; P143-R145 PolarHBondContact O-N 3.4Å |
| 144 | E | 94.4 | Very high | 96.6 | Very high | 141 Ų | 141 | 41.7 Ų | 41.7 | 66% | 0.659 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.9 | 177.5 | 73.3 | -73.8 | 172.7 | 0 | 0 | 114.2 | K142 | K142-E144 VanDerWaalsContact CA-OE2 3.27Å; K142-E144 WeakPolarHBondContact CA-OE2 3.27Å; K142-E144 PolarHBondContact O-N 3.27Å |
| 145 | R | 96.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -54.2 | 140 | 173.8 | -71 | -177.3 | -70.5 | 146.7 | 0.2 | 110 | E123 S139 Y141 K142 P143 F147 P148 I149 G176 M177 | E123-R145 IonicContact OE1-NH2 2.98Å; E123-R145 PolarHBondContact OE1-NH2 3.07Å; S139-R145 PolarHBondContact OG-NH2 3.35Å; Y141-R145 PolarHBondContact O-NE 3.05Å; Y141-R145 PolarHBondContact O-NH2 3.39Å; Y141-R145 VanDerWaalsContact O-NH2 3.15Å; K142-R145 HydrophobicContact CB-CG 3.85Å; K142-R145 WeakPolarHBondContact O-CB 3.49Å; K142-R145 WeakPolarHBondContact O-CG 3.39Å; K142-R145 PolarHBondContact O-N 2.94Å; K142-R145 PolarHBondContact O-NE 3.34Å; P143-R145 PolarHBondContact O-N 3.4Å; R145-F147 PolarHBondContact O-N 2.83Å; R145-F147 VanDerWaalsContact O-N 3.13Å; R145-P148 HydrophobicContact CB-CB 4.1Å; R145-P148 VanDerWaalsContact CZ-CA 3.5Å; R145-P148 VanDerWaalsContact O-CD 3.32Å; R145-P148 WeakPolarHBondContact O-CD 3.44Å; R145-I149 PolarHBondContact NH1-O 3.14Å; R145-G176 WeakPolarHBondContact CD-O 3.3Å; R145-G176 PolarHBondContact NH1-O 3.37Å; R145-G176 VanDerWaalsContact NH1-O 3.1Å; R145-M177 HydrophobicContact CB-SD 4.45Å; R145-M177 HydrophobicContact CG-SD 3.65Å |
| 146 | P | 97 | Very high | 96.6 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -55.8 | -31.4 | 175.2 | -28.3 | 36.9 | 0 | 0 | 0 | 113.2 | L184 W191 | P146-L184 HydrophobicContact CB-CD1 4.5Å; P146-L184 HydrophobicContact CB-CD2 4.33Å; P146-L184 HydrophobicContact CG-CD1 4.18Å; P146-W191 VanDerWaalsContact O-CD1 3.29Å; P146-W191 PolarHBondContact O-N 2.86Å; P146-W191 VanDerWaalsContact O-N 3.14Å |
| 147 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -136 | 88.1 | 174.1 | -53.9 | -88.6 | 0 | 0 | 0 | 108.8 | R145 I149 S180 L183 L184 L188 N190 W191 L194 | R145-F147 PolarHBondContact O-N 2.83Å; R145-F147 VanDerWaalsContact O-N 3.13Å; F147-I149 HydrophobicContact CB-CD1 4.29Å; F147-I149 HydrophobicContact CB-CG1 4.21Å; F147-I149 PolarHBondContact O-N 3.29Å; F147-S180 PolarHBondContact N-OG 3.27Å; F147-S180 PolarHBondContact O-OG 2.65Å; F147-L183 HydrophobicContact CB-CD1 3.76Å; F147-L183 HydrophobicContact CD1-CB 4.29Å; F147-L183 HydrophobicContact CD1-CD1 3.58Å; F147-L183 HydrophobicContact CD2-CB 3.73Å; F147-L183 HydrophobicContact CD2-CD1 4.13Å; F147-L183 HydrophobicContact CE1-CB 4.27Å; F147-L183 HydrophobicContact CE1-CD1 4.19Å; F147-L183 HydrophobicContact CE2-CB 3.74Å; F147-L183 HydrophobicContact CG-CB 4.03Å; F147-L183 HydrophobicContact CG-CD1 3.54Å; F147-L183 HydrophobicContact CG-CG 4.44Å; F147-L183 HydrophobicContact CZ-CB 4.03Å; F147-L184 HydrophobicContact CE2-CD2 3.99Å; F147-L184 HydrophobicContact CE2-CG 4Å; F147-L188 HydrophobicContact CE1-CB 4.1Å; F147-L188 HydrophobicContact CE1-CD2 3.97Å; F147-L188 HydrophobicContact CE2-CB 4.45Å; F147-L188 HydrophobicContact CZ-CB 3.51Å; F147-L188 HydrophobicContact CZ-CD2 4.23Å; F147-N190 WeakPolarHBondContact CE1-O 3.32Å; F147-W191 HydrophobicContact CD1-CB 4.17Å; F147-L194 HydrophobicContact CD1-CD1 4.05Å; F147-L194 HydrophobicContact CD1-CD2 4.29Å; F147-L194 HydrophobicContact CD1-CG 4.33Å; F147-L194 HydrophobicContact CE1-CD2 4.16Å; F147-L194 HydrophobicContact CE1-CG 4.32Å |
| 148 | P | 97.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | trans | -81.8 | 72 | 178.7 | 33.9 | -31 | 0 | 0 | 0 | 109.5 | M137 R145 | M137-P148 HydrophobicContact CB-CG 3.47Å; M137-P148 VanDerWaalsContact CB-CG 3.47Å; M137-P148 HydrophobicContact CG-CG 3.72Å; R145-P148 HydrophobicContact CB-CB 4.1Å; R145-P148 VanDerWaalsContact CZ-CA 3.5Å; R145-P148 VanDerWaalsContact O-CD 3.32Å; R145-P148 WeakPolarHBondContact O-CD 3.44Å | ||
| 149 | I | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -135 | 161.3 | -177.9 | 62.8 | -178 | 0 | 0 | 0 | 110 | M137 R145 F147 F154 E179 L183 L194 | M137-I149 HydrophobicContact CE-CG2 3.15Å; R145-I149 PolarHBondContact NH1-O 3.14Å; F147-I149 HydrophobicContact CB-CD1 4.29Å; F147-I149 HydrophobicContact CB-CG1 4.21Å; F147-I149 PolarHBondContact O-N 3.29Å; I149-F154 HydrophobicContact CD1-CB 4.01Å; I149-F154 HydrophobicContact CD1-CD1 3.44Å; I149-F154 VanDerWaalsContact CD1-CD1 3.44Å; I149-F154 HydrophobicContact CD1-CE1 4.18Å; I149-F154 HydrophobicContact CD1-CG 3.96Å; I149-F154 HydrophobicContact CG1-CD1 4.13Å; I149-E179 HydrophobicContact CG1-CB 4.35Å; I149-L183 HydrophobicContact CD1-CD1 3.72Å; I149-L194 HydrophobicContact CD1-CD1 4.5Å | ||
| 150 | D | 97.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | trans | -86.2 | 158.5 | 170.9 | -177.6 | -97.5 | 0 | 0 | 0 | 111.5 | V114 A117 A152 G153 H208 | V114-D150 HydrophobicContact CB-CB 4.49Å; V114-D150 HydrophobicContact CG2-CB 4.33Å; A117-D150 HydrophobicContact CB-CB 3.93Å; D150-A152 PolarHBondContact O-N 3.07Å; D150-A152 WeakPolarHBondContact OD1-CB 3.36Å; D150-A152 PolarHBondContact OD1-N 3.44Å; D150-G153 PolarHBondContact O-N 3.47Å; D150-H208 IonicContact OD1-CD2 3.44Å; D150-H208 IonicContact OD2-CD2 3.64Å; D150-H208 PolarHBondContact OD2-CD2 3.06Å; D150-H208 IonicContact OD2-NE2 3.53Å | ||
| 151 | M | 97.6 | Very high | 97 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -54.9 | -38.5 | 177.9 | -165.7 | 63.4 | 65.4 | 0 | 0 | 112.7 | I88 G153 F154 F169 E179 | I88-M151 HydrophobicContact CB-CG 4.05Å; I88-M151 HydrophobicContact CB-SD 4.21Å; I88-M151 HydrophobicContact CD1-SD 3.99Å; I88-M151 HydrophobicContact CG2-CG 3.61Å; I88-M151 HydrophobicContact CG2-SD 4Å; M151-G153 PolarHBondContact O-N 2.91Å; M151-F154 HydrophobicContact SD-CE1 4.11Å; M151-F154 HydrophobicContact SD-CZ 3.88Å; M151-F169 HydrophobicContact CE-CD1 4.11Å; M151-F169 HydrophobicContact CE-CE1 3.43Å; M151-F169 VanDerWaalsContact CE-CE1 3.43Å; M151-F169 HydrophobicContact CE-CZ 3.95Å; M151-F169 HydrophobicContact SD-CE1 3.92Å; M151-F169 HydrophobicContact SD-CZ 3.88Å; M151-E179 HydrophobicContact CB-CG 4.46Å; M151-E179 HydrophobicContact CE-CG 3.96Å; M151-E179 HydrophobicContact SD-CG 4.43Å |
| 152 | A | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -78.6 | -0 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y87 N93 W112 D150 V206 | Y87-A152 PolarHBondContact OH-O 3.47Å; N93-A152 WeakPolarHBondContact OD1-CB 3.21Å; W112-A152 PolarHBondContact NE1-O 2.8Å; D150-A152 PolarHBondContact O-N 3.07Å; D150-A152 WeakPolarHBondContact OD1-CB 3.36Å; D150-A152 PolarHBondContact OD1-N 3.44Å; A152-V206 HydrophobicContact CB-CG1 3.86Å |
| 153 | G | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -95.3 | 6.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T111 W112 D150 M151 | T111-G153 VanDerWaalsContact CA-O 3.25Å; T111-G153 WeakPolarHBondContact CA-O 3.15Å; T111-G153 WeakPolarHBondContact CB-O 3.4Å; T111-G153 PolarHBondContact OG1-O 3.44Å; W112-G153 PolarHBondContact N-O 2.95Å; W112-G153 VanDerWaalsContact N-O 3.13Å; D150-G153 PolarHBondContact O-N 3.47Å; M151-G153 PolarHBondContact O-N 2.91Å |
| 154 | F | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.8 | -179.8 | 68.8 | -86 | 0 | 0 | 0 | 113.4 | Y87 V109 S110 I149 M151 V156 E179 F182 L183 | Y87-F154 VanDerWaalsContact CD2-O 3.29Å; Y87-F154 WeakPolarHBondContact CD2-O 3.38Å; V109-F154 HydrophobicContact CG1-CB 4.36Å; V109-F154 HydrophobicContact CG1-CD2 4.32Å; S110-F154 WeakPolarHBondContact O-CA 3.25Å; S110-F154 WeakPolarHBondContact O-CB 3.48Å; I149-F154 HydrophobicContact CD1-CB 4.01Å; I149-F154 HydrophobicContact CD1-CD1 3.44Å; I149-F154 VanDerWaalsContact CD1-CD1 3.44Å; I149-F154 HydrophobicContact CD1-CE1 4.18Å; I149-F154 HydrophobicContact CD1-CG 3.96Å; I149-F154 HydrophobicContact CG1-CD1 4.13Å; M151-F154 HydrophobicContact SD-CE1 4.11Å; M151-F154 HydrophobicContact SD-CZ 3.88Å; F154-V156 HydrophobicContact CD2-CG2 3.92Å; F154-V156 HydrophobicContact CE2-CG2 3.96Å; F154-E179 HydrophobicContact CE1-CB 4.12Å; F154-E179 HydrophobicContact CE1-CG 4.11Å; F154-F182 AromaticContact CE2-CD1 3.92Å; F154-F182 HydrophobicContact CE2-CD1 3.92Å; F154-F182 AromaticContact CE2-CE1 3.93Å; F154-F182 HydrophobicContact CE2-CE1 3.93Å; F154-F182 AromaticContact CZ-CD1 3.99Å; F154-F182 HydrophobicContact CZ-CD1 3.99Å; F154-F182 HydrophobicContact CZ-CE1 4.37Å; F154-L183 HydrophobicContact CD2-CD2 3.95Å; F154-L183 HydrophobicContact CE2-CD2 3.9Å; F154-L183 HydrophobicContact CE2-CG 4.38Å |
| 155 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 157.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | V85 L86 Y87 M103 V109 S110 W112 | V85-A155 HydrophobicContact CG1-CB 3.59Å; L86-A155 WeakPolarHBondContact O-CA 3.34Å; L86-A155 WeakPolarHBondContact O-CB 3.23Å; Y87-A155 HydrophobicContact CD2-CB 4.23Å; M103-A155 HydrophobicContact CB-CB 4.03Å; M103-A155 HydrophobicContact SD-CB 4.24Å; V109-A155 VanDerWaalsContact CA-O 3.29Å; V109-A155 WeakPolarHBondContact CA-O 3.44Å; V109-A155 WeakPolarHBondContact CG1-O 3.45Å; S110-A155 PolarHBondContact N-O 3.04Å; S110-A155 PolarHBondContact O-N 3.27Å; S110-A155 VanDerWaalsContact O-N 3.12Å; W112-A155 HydrophobicContact CH2-CB 3.64Å; W112-A155 HydrophobicContact CZ3-CB 4.14Å |
| 156 | V | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.8 | -170.4 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | V85 L86 V109 F154 I158 L160 I161 F182 L183 L186 | V85-V156 CarbonylContact C-O 3.58Å; V85-V156 WeakPolarHBondContact CA-O 3.15Å; L86-V156 PolarHBondContact N-O 3.31Å; L86-V156 PolarHBondContact O-N 3.49Å; V109-V156 HydrophobicContact CG1-CG2 4.34Å; V109-V156 HydrophobicContact CG2-CG1 4.21Å; V109-V156 HydrophobicContact CG2-CG2 4.26Å; F154-V156 HydrophobicContact CD2-CG2 3.92Å; F154-V156 HydrophobicContact CE2-CG2 3.96Å; V156-I158 PolarHBondContact O-N 2.8Å; V156-L160 HydrophobicContact CG1-CB 4.18Å; V156-L160 HydrophobicContact CG1-CD2 4.03Å; V156-L160 HydrophobicContact CG1-CG 4.49Å; V156-I161 HydrophobicContact CB-CD1 3.97Å; V156-I161 HydrophobicContact CB-CG1 4.32Å; V156-I161 HydrophobicContact CG1-CD1 3.5Å; V156-I161 HydrophobicContact CG1-CG1 3.81Å; V156-F182 HydrophobicContact CG2-CE1 4.12Å; V156-L183 HydrophobicContact CG2-CD2 4.48Å; V156-L186 HydrophobicContact CB-CD1 4.47Å; V156-L186 HydrophobicContact CG1-CD1 3.73Å; V156-L186 HydrophobicContact CG2-CD1 3.93Å |
| 157 | N | 98.7 | Very high | 98 | Very high | 30 Ų | 30 | 30.2 Ų | 30.2 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 133.3 | 173.1 | -170.8 | -68.6 | 0 | 0 | 0 | 111.2 | T106 N107 K108 D159 L160 I161 | T106-N157 PolarHBondContact O-ND2 3.5Å; N107-N157 WeakPolarHBondContact O-CB 3.38Å; N107-N157 PolarHBondContact O-ND2 2.87Å; K108-N157 PolarHBondContact O-N 3.4Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact O-N 3.34Å; N157-D159 WeakPolarHBondContact OD1-CB 3.41Å; N157-D159 PolarHBondContact OD1-N 2.93Å; N157-L160 WeakPolarHBondContact O-CB 3.49Å; N157-L160 PolarHBondContact O-N 3.25Å; N157-I161 PolarHBondContact O-N 2.6Å |
| 158 | I | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -38.1 | -177.6 | -72.5 | -69.2 | 0 | 0 | 0 | 112.3 | L73 L77 G84 L86 V156 L160 I161 L162 | L73-I158 HydrophobicContact CD1-CD1 4.11Å; L73-I158 HydrophobicContact CD2-CD1 4.07Å; L77-I158 HydrophobicContact CD1-CD1 4.27Å; L77-I158 HydrophobicContact CD1-CG2 3.71Å; G84-I158 VanDerWaalsContact C-CG1 3.41Å; G84-I158 WeakPolarHBondContact O-CB 3.22Å; G84-I158 WeakPolarHBondContact O-CG1 3.44Å; G84-I158 PolarHBondContact O-N 3.16Å; L86-I158 HydrophobicContact CB-CD1 3.92Å; V156-I158 PolarHBondContact O-N 2.8Å; I158-L160 PolarHBondContact O-N 2.89Å; I158-I161 WeakPolarHBondContact O-CB 3.38Å; I158-I161 PolarHBondContact O-N 3.49Å; I158-I161 VanDerWaalsContact O-N 3.1Å; I158-L162 HydrophobicContact CG2-CD1 3.77Å; I158-L162 HydrophobicContact CG2-CG 4.06Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3.42Å |
| 159 | D | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -33.7 | 178.1 | -76.1 | -25.3 | 0 | 0 | 0 | 111.1 | L79 G80 K83 N157 L162 Q163 | L79-D159 HydrophobicContact CD1-CB 3.79Å; L79-D159 WeakPolarHBondContact CD1-O 3.34Å; G80-D159 PolarHBondContact N-OD1 3.48Å; K83-D159 IonicContact NZ-OD2 2.88Å; K83-D159 PolarHBondContact NZ-OD2 2.89Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact O-N 3.34Å; N157-D159 WeakPolarHBondContact OD1-CB 3.41Å; N157-D159 PolarHBondContact OD1-N 2.93Å; D159-L162 PolarHBondContact O-N 3.01Å; D159-Q163 WeakPolarHBondContact O-CB 3.22Å; D159-Q163 WeakPolarHBondContact O-CG 3.19Å; D159-Q163 PolarHBondContact O-N 3.28Å |
| 160 | L | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.1 | -167.7 | 67.3 | 0 | 0 | 0 | 111.9 | V109 V156 N157 I158 L162 Q163 H164 L186 L188 | V109-L160 HydrophobicContact CG2-CD2 3.72Å; V156-L160 HydrophobicContact CG1-CB 4.18Å; V156-L160 HydrophobicContact CG1-CD2 4.03Å; V156-L160 HydrophobicContact CG1-CG 4.49Å; N157-L160 WeakPolarHBondContact O-CB 3.49Å; N157-L160 PolarHBondContact O-N 3.25Å; I158-L160 PolarHBondContact O-N 2.89Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-Q163 PolarHBondContact O-N 2.91Å; L160-H164 PolarHBondContact O-N 2.95Å; L160-H164 PolarHBondContact O-ND1 2.68Å; L160-L186 HydrophobicContact CD2-CB 4.12Å; L160-L186 HydrophobicContact CG-CB 4.32Å; L160-L188 HydrophobicContact CD2-CD1 3.98Å |
| 161 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.3 | -60.2 | -61.2 | 0 | 0 | 0 | 111.3 | L70 R74 L86 V156 N157 I158 H164 F182 L186 | L70-I161 HydrophobicContact CD2-CD1 4.19Å; L70-I161 HydrophobicContact CD2-CG2 3.95Å; R74-I161 PolarHBondContact NE-O 3.2Å; L86-I161 HydrophobicContact CB-CG1 4.41Å; L86-I161 HydrophobicContact CD2-CD1 3.84Å; L86-I161 HydrophobicContact CD2-CG1 3.98Å; V156-I161 HydrophobicContact CB-CD1 3.97Å; V156-I161 HydrophobicContact CB-CG1 4.32Å; V156-I161 HydrophobicContact CG1-CD1 3.5Å; V156-I161 HydrophobicContact CG1-CG1 3.81Å; N157-I161 PolarHBondContact O-N 2.6Å; I158-I161 WeakPolarHBondContact O-CB 3.38Å; I158-I161 PolarHBondContact O-N 3.49Å; I158-I161 VanDerWaalsContact O-N 3.1Å; I161-H164 CarbonylContact O-C 3.58Å; I161-F182 HydrophobicContact CD1-CE2 4.49Å; I161-F182 HydrophobicContact CD1-CZ 3.74Å; I161-L186 HydrophobicContact CD1-CD1 4.06Å; I161-L186 HydrophobicContact CD1-CD2 3.77Å |
| 162 | L | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.1 | -32.3 | -178.1 | -62.8 | -180 | 0 | 0 | 0 | 112.7 | R74 L77 L79 I158 D159 L160 | R74-L162 HydrophobicContact CB-CD2 4.5Å; R74-L162 HydrophobicContact CG-CD2 4.2Å; L77-L162 HydrophobicContact CB-CD1 3.86Å; L77-L162 HydrophobicContact CB-CD2 4.22Å; L79-L162 HydrophobicContact CB-CB 4.22Å; L79-L162 HydrophobicContact CB-CD1 4.38Å; L79-L162 HydrophobicContact CD1-CB 4.06Å; I158-L162 HydrophobicContact CG2-CD1 3.77Å; I158-L162 HydrophobicContact CG2-CG 4.06Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3.42Å; D159-L162 PolarHBondContact O-N 3.01Å; L160-L162 VanDerWaalsContact C-N 3.35Å |
| 163 | Q | 98 | Very high | 97 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 173 | -75.9 | 167.6 | 16.1 | 0 | 0 | 112.3 | L79 D159 L160 | L79-Q163 HydrophobicContact CD1-CG 3.73Å; L79-Q163 HydrophobicContact CD2-CG 3.91Å; D159-Q163 WeakPolarHBondContact O-CB 3.22Å; D159-Q163 WeakPolarHBondContact O-CG 3.19Å; D159-Q163 PolarHBondContact O-N 3.28Å; L160-Q163 PolarHBondContact O-N 2.91Å |
| 164 | H | 98.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -105 | 74 | -175.3 | -62.9 | 85.1 | 0 | 0 | 0 | 111.4 | R74 L160 I161 N166 A167 L186 | R74-H164 PolarHBondContact NH2-O 3.24Å; L160-H164 PolarHBondContact O-N 2.95Å; L160-H164 PolarHBondContact O-ND1 2.68Å; I161-H164 CarbonylContact O-C 3.58Å; H164-N166 PolarHBondContact O-N 3.09Å; H164-N166 VanDerWaalsContact O-N 3.08Å; H164-A167 HydrophobicContact CB-CB 4.12Å; H164-A167 WeakPolarHBondContact O-CB 3.37Å; H164-A167 PolarHBondContact O-N 3.31Å; H164-A167 VanDerWaalsContact O-N 3.11Å; H164-L186 HydrophobicContact CB-CD2 4Å; H164-L186 PolarHBondContact CE1-O 2.96Å; H164-L186 VanDerWaalsContact CE1-O 3.23Å; H164-L186 PolarHBondContact NE2-O 3.01Å | ||
| 165 | K | 96.4 | Very high | 95.9 | Very high | 151 Ų | 151 | 59.6 Ų | 59.6 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.7 | -174.2 | -64.4 | -172.6 | 179.6 | -176.4 | 0 | 115.1 | R74 | R74-K165 PolarHBondContact NE-O 3.21Å; R74-K165 PolarHBondContact NH1-O 2.98Å; R74-K165 VanDerWaalsContact NH1-O 3.1Å |
| 166 | N | 96.3 | Very high | 95.5 | Very high | 168 Ų | 168 | 60.5 Ų | 60.5 | 90% | 0.898 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.5 | -177.7 | -61.3 | -25.5 | 0 | 0 | 0 | 113.5 | H164 | H164-N166 PolarHBondContact O-N 3.09Å; H164-N166 VanDerWaalsContact O-N 3.08Å |
| 167 | A | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | trans | -69.2 | 133 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R74 H164 F182 L186 | R74-A167 VanDerWaalsContact CZ-O 3.3Å; R74-A167 PolarHBondContact NH1-O 2.83Å; R74-A167 PolarHBondContact NH2-O 2.98Å; H164-A167 HydrophobicContact CB-CB 4.12Å; H164-A167 WeakPolarHBondContact O-CB 3.37Å; H164-A167 PolarHBondContact O-N 3.31Å; H164-A167 VanDerWaalsContact O-N 3.11Å; A167-F182 HydrophobicContact CB-CD2 4.49Å; A167-F182 HydrophobicContact CB-CE2 4.37Å; A167-L186 HydrophobicContact CB-CD2 3.52Å; A167-L186 HydrophobicContact CB-CG 3.94Å | ||
| 168 | G | 97.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | trans | -177.2 | -175.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N67 | N67-G168 WeakPolarHBondContact OD1-CA 3.39Š| ||
| 169 | F | 97.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | trans | -99.6 | 155.2 | 179.4 | -56.3 | -76.2 | 0 | 0 | 0 | 110.8 | I63 R66 N67 L70 I88 M151 Q178 F182 | I63-F169 HydrophobicContact CD1-CB 3.75Å; I63-F169 HydrophobicContact CG2-CB 3.96Å; R66-F169 HydrophobicContact CB-CD2 3.56Å; R66-F169 HydrophobicContact CB-CE2 3.7Å; R66-F169 HydrophobicContact CG-CD2 4.47Å; R66-F169 HydrophobicContact CG-CE2 4.37Å; N67-F169 PolarHBondContact ND2-O 3.11Å; N67-F169 PolarHBondContact OD1-N 2.78Å; L70-F169 HydrophobicContact CD1-CD2 4.21Å; L70-F169 HydrophobicContact CD1-CE2 3.98Å; I88-F169 HydrophobicContact CD1-CE2 3.61Å; I88-F169 HydrophobicContact CD1-CZ 3.44Å; I88-F169 VanDerWaalsContact CD1-CZ 3.44Å; M151-F169 HydrophobicContact CE-CD1 4.11Å; M151-F169 HydrophobicContact CE-CE1 3.43Å; M151-F169 VanDerWaalsContact CE-CE1 3.43Å; M151-F169 HydrophobicContact CE-CZ 3.95Å; M151-F169 HydrophobicContact SD-CE1 3.92Å; M151-F169 HydrophobicContact SD-CZ 3.88Å; F169-Q178 HydrophobicContact CD1-CB 4.26Å; F169-F182 HydrophobicContact CD1-CB 4.11Å; F169-F182 HydrophobicContact CD1-CG 4.49Å; F169-F182 HydrophobicContact CE1-CB 3.53Å; F169-F182 HydrophobicContact CE1-CD1 4.1Å; F169-F182 HydrophobicContact CE1-CD2 4.18Å; F169-F182 AromaticContact CE1-CG 3.68Å; F169-F182 HydrophobicContact CE1-CG 3.68Å; F169-F182 HydrophobicContact CE2-CD2 4.13Å; F169-F182 HydrophobicContact CE2-CE2 4.28Å; F169-F182 HydrophobicContact CE2-CG 4.33Å; F169-F182 HydrophobicContact CZ-CB 4Å; F169-F182 AromaticContact CZ-CD1 3.76Å; F169-F182 HydrophobicContact CZ-CD1 3.76Å; F169-F182 AromaticContact CZ-CD2 3.85Å; F169-F182 HydrophobicContact CZ-CD2 3.85Å; F169-F182 HydrophobicContact CZ-CE1 4.15Å; F169-F182 HydrophobicContact CZ-CE2 4.25Å; F169-F182 AromaticContact CZ-CG 3.59Å; F169-F182 HydrophobicContact CZ-CG 3.59Å; F169-F182 HydrophobicContact CZ-CZ 4.37Å | ||
| 170 | D | 95 | Very high | 95.1 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -150.1 | 127.3 | -174.2 | 173.4 | 4.3 | 0 | 0 | 0 | 111.1 | K172 R173 Q178 | D170-K172 PolarHBondContact O-N 2.87Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 WeakPolarHBondContact OD1-CB 3.34Å; D170-K172 PolarHBondContact OD1-N 2.74Å; D170-R173 HydrophobicContact CB-CG 3.96Å; D170-R173 WeakPolarHBondContact O-CG 3.39Å; D170-R173 PolarHBondContact O-N 2.88Å; D170-R173 VanDerWaalsContact O-N 3.16Å; D170-R173 IonicContact OD2-CZ 3.25Å; D170-R173 IonicContact OD2-NE 3.84Å; D170-R173 PolarHBondContact OD2-NE 3.28Å; D170-R173 IonicContact OD2-NH2 3.82Å; D170-Q178 PolarHBondContact O-NE2 2.71Å; D170-Q178 PolarHBondContact O-OE1 2.61Å | ||
| 171 | Y | 92.9 | Very high | 95 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 14% | 0.137 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.5 | 179.2 | -69.5 | -74.7 | 0 | 0 | 0 | 113.7 | E48 P60 I63 L64 R173 | E48-Y171 HydrophobicContact CB-CD1 3.79Å; E48-Y171 HydrophobicContact CB-CE1 3.61Å; E48-Y171 HydrophobicContact CB-CG 4.4Å; E48-Y171 HydrophobicContact CG-CD1 3.62Å; E48-Y171 HydrophobicContact CG-CD2 4.02Å; E48-Y171 HydrophobicContact CG-CE1 3.82Å; E48-Y171 HydrophobicContact CG-CE2 4.19Å; E48-Y171 HydrophobicContact CG-CG 3.73Å; P60-Y171 HydrophobicContact CG-CD1 4.2Å; I63-Y171 HydrophobicContact CB-CD1 4.04Å; I63-Y171 HydrophobicContact CB-CD2 4.3Å; I63-Y171 HydrophobicContact CB-CE1 3.61Å; I63-Y171 HydrophobicContact CB-CE2 3.9Å; I63-Y171 HydrophobicContact CB-CG 4.36Å; I63-Y171 HydrophobicContact CG1-CD1 3.83Å; I63-Y171 HydrophobicContact CG1-CE1 3.7Å; I63-Y171 HydrophobicContact CG1-CG 4.41Å; I63-Y171 HydrophobicContact CG2-CD1 4.34Å; I63-Y171 HydrophobicContact CG2-CD2 3.87Å; I63-Y171 HydrophobicContact CG2-CE1 4.25Å; I63-Y171 HydrophobicContact CG2-CE2 3.77Å; I63-Y171 HydrophobicContact CG2-CG 4.16Å; L64-Y171 HydrophobicContact CD2-CE2 3.86Å; L64-Y171 HydrophobicContact CG-CE2 3.76Å; L64-Y171 WeakPolarHBondContact CG-OH 3.49Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.47Å |
| 172 | K | 91.3 | Very high | 95 | Very high | 186 Ų | 186 | 62.4 Ų | 62.4 | 81% | 0.809 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.4 | -176.9 | -61.5 | 179.3 | -178.2 | 176.9 | 0 | 113.8 | D170 | D170-K172 PolarHBondContact O-N 2.87Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 WeakPolarHBondContact OD1-CB 3.34Å; D170-K172 PolarHBondContact OD1-N 2.74Å |
| 173 | R | 89.9 | Confident | 95 | Very high | 109 Ų | 109 | 61.9 Ų | 61.9 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -73.7 | 144.9 | 179.5 | -55.5 | -51.4 | 178.2 | 161.3 | -1.9 | 111.3 | D170 Y171 M177 Q181 | D170-R173 HydrophobicContact CB-CG 3.96Å; D170-R173 WeakPolarHBondContact O-CG 3.39Å; D170-R173 PolarHBondContact O-N 2.88Å; D170-R173 VanDerWaalsContact O-N 3.16Å; D170-R173 IonicContact OD2-CZ 3.25Å; D170-R173 IonicContact OD2-NE 3.84Å; D170-R173 PolarHBondContact OD2-NE 3.28Å; D170-R173 IonicContact OD2-NH2 3.82Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.47Å; R173-M177 HydrophobicContact CB-CB 4.5Å; R173-Q181 HydrophobicContact CG-CB 4.42Å; R173-Q181 HydrophobicContact CG-CG 4.18Å |
| 174 | L | 88.5 | Confident | 95 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 67% | 0.665 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 145.6 | 173.9 | -62 | 174.6 | 0 | 0 | 0 | 110.2 | G176 M177 | L174-G176 PolarHBondContact O-N 3.22Å; L174-M177 HydrophobicContact CB-CB 4.41Å; L174-M177 HydrophobicContact CB-CG 3.84Å; L174-M177 VanDerWaalsContact O-CB 3.24Å; L174-M177 WeakPolarHBondContact O-CB 3.38Å; L174-M177 PolarHBondContact O-N 3.21Å |
| 175 | R | 86.3 | Confident | 95 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 130.7 | 176.3 | -175.7 | 176.7 | 172.7 | -160.8 | -4.2 | 111.3 | K142 M177 | K142-R175 PolarHBondContact NZ-O 3.06Å; R175-M177 VanDerWaalsContact C-N 3.31Å |
| 176 | G | 89.6 | Confident | 95.1 | Very high | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 2.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R145 L174 | R145-G176 WeakPolarHBondContact CD-O 3.3Å; R145-G176 PolarHBondContact NH1-O 3.37Å; R145-G176 VanDerWaalsContact NH1-O 3.1Å; L174-G176 PolarHBondContact O-N 3.22Å |
| 177 | M | 95 | Very high | 95.2 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 16% | 0.163 | 24% | 0.238 | C | C | . | . | trans | -97.9 | 0.1 | 179.6 | -67 | -64.9 | -64.5 | 0 | 0 | 114 | R145 R173 L174 R175 S180 Q181 | R145-M177 HydrophobicContact CB-SD 4.45Å; R145-M177 HydrophobicContact CG-SD 3.65Å; R173-M177 HydrophobicContact CB-CB 4.5Å; L174-M177 HydrophobicContact CB-CB 4.41Å; L174-M177 HydrophobicContact CB-CG 3.84Å; L174-M177 VanDerWaalsContact O-CB 3.24Å; L174-M177 WeakPolarHBondContact O-CB 3.38Å; L174-M177 PolarHBondContact O-N 3.21Å; R175-M177 VanDerWaalsContact C-N 3.31Å; M177-S180 PolarHBondContact O-N 3Å; M177-Q181 HydrophobicContact CB-CG 4.24Å; M177-Q181 WeakPolarHBondContact O-CB 3.33Å; M177-Q181 WeakPolarHBondContact O-CG 3.26Å; M177-Q181 PolarHBondContact O-N 3Å | ||
| 178 | Q | 96.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -51.2 | -174.2 | -69.1 | -64.4 | -15.3 | 0 | 0 | 111.4 | I63 F169 D170 S180 Q181 F182 | I63-Q178 VanDerWaalsContact CD1-CD 3.49Å; I63-Q178 HydrophobicContact CD1-CG 4.13Å; F169-Q178 HydrophobicContact CD1-CB 4.26Å; D170-Q178 PolarHBondContact O-NE2 2.71Å; D170-Q178 PolarHBondContact O-OE1 2.61Å; Q178-S180 PolarHBondContact O-N 2.99Å; Q178-Q181 PolarHBondContact O-N 3.15Å; Q178-F182 WeakPolarHBondContact O-CB 3.48Å; Q178-F182 PolarHBondContact O-N 3.32Å |
| 179 | E | 97.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 52 Ų | 52 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 179.7 | -57 | 74.8 | -163.2 | 0 | 0 | 110.1 | I149 M151 F154 Q181 F182 L183 | I149-E179 HydrophobicContact CG1-CB 4.35Å; M151-E179 HydrophobicContact CB-CG 4.46Å; M151-E179 HydrophobicContact CE-CG 3.96Å; M151-E179 HydrophobicContact SD-CG 4.43Å; F154-E179 HydrophobicContact CE1-CB 4.12Å; F154-E179 HydrophobicContact CE1-CG 4.11Å; E179-Q181 PolarHBondContact O-N 2.89Å; E179-F182 PolarHBondContact O-N 2.9Å; E179-L183 WeakPolarHBondContact O-CB 3.41Å; E179-L183 WeakPolarHBondContact O-CG 3.32Å; E179-L183 PolarHBondContact O-N 2.89Å |
| 180 | S | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 178.8 | -77.5 | 0 | 0 | 0 | 0 | 112.3 | F147 M177 Q178 L183 L184 | F147-S180 PolarHBondContact N-OG 3.27Å; F147-S180 PolarHBondContact O-OG 2.65Å; M177-S180 PolarHBondContact O-N 3Å; Q178-S180 PolarHBondContact O-N 2.99Å; S180-L183 PolarHBondContact O-N 2.9Å; S180-L184 WeakPolarHBondContact O-CB 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.1Å; S180-L184 PolarHBondContact O-N 2.84Å |
| 181 | Q | 96.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -36.7 | -179.1 | -68.9 | -64.9 | -48.4 | 0 | 0 | 111.9 | R173 M177 Q178 E179 G185 | R173-Q181 HydrophobicContact CG-CB 4.42Å; R173-Q181 HydrophobicContact CG-CG 4.18Å; M177-Q181 HydrophobicContact CB-CG 4.24Å; M177-Q181 WeakPolarHBondContact O-CB 3.33Å; M177-Q181 WeakPolarHBondContact O-CG 3.26Å; M177-Q181 PolarHBondContact O-N 3Å; Q178-Q181 PolarHBondContact O-N 3.15Å; E179-Q181 PolarHBondContact O-N 2.89Å; Q181-G185 PolarHBondContact O-N 2.94Å |
| 182 | F | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 173.5 | 178.1 | -116.8 | 0 | 0 | 0 | 111.4 | L70 I88 F154 V156 I161 A167 F169 Q178 E179 L184 G185 L186 | L70-F182 HydrophobicContact CD1-CD2 4.43Å; L70-F182 HydrophobicContact CD1-CE2 3.66Å; L70-F182 HydrophobicContact CD1-CZ 4.3Å; L70-F182 HydrophobicContact CD2-CE2 4.21Å; L70-F182 HydrophobicContact CD2-CZ 4.13Å; I88-F182 HydrophobicContact CD1-CE1 4.45Å; F154-F182 AromaticContact CE2-CD1 3.92Å; F154-F182 HydrophobicContact CE2-CD1 3.92Å; F154-F182 AromaticContact CE2-CE1 3.93Å; F154-F182 HydrophobicContact CE2-CE1 3.93Å; F154-F182 AromaticContact CZ-CD1 3.99Å; F154-F182 HydrophobicContact CZ-CD1 3.99Å; F154-F182 HydrophobicContact CZ-CE1 4.37Å; V156-F182 HydrophobicContact CG2-CE1 4.12Å; I161-F182 HydrophobicContact CD1-CE2 4.49Å; I161-F182 HydrophobicContact CD1-CZ 3.74Å; A167-F182 HydrophobicContact CB-CD2 4.49Å; A167-F182 HydrophobicContact CB-CE2 4.37Å; F169-F182 HydrophobicContact CD1-CB 4.11Å; F169-F182 HydrophobicContact CD1-CG 4.49Å; F169-F182 HydrophobicContact CE1-CB 3.53Å; F169-F182 HydrophobicContact CE1-CD1 4.1Å; F169-F182 HydrophobicContact CE1-CD2 4.18Å; F169-F182 AromaticContact CE1-CG 3.68Å; F169-F182 HydrophobicContact CE1-CG 3.68Å; F169-F182 HydrophobicContact CE2-CD2 4.13Å; F169-F182 HydrophobicContact CE2-CE2 4.28Å; F169-F182 HydrophobicContact CE2-CG 4.33Å; F169-F182 HydrophobicContact CZ-CB 4Å; F169-F182 AromaticContact CZ-CD1 3.76Å; F169-F182 HydrophobicContact CZ-CD1 3.76Å; F169-F182 AromaticContact CZ-CD2 3.85Å; F169-F182 HydrophobicContact CZ-CD2 3.85Å; F169-F182 HydrophobicContact CZ-CE1 4.15Å; F169-F182 HydrophobicContact CZ-CE2 4.25Å; F169-F182 AromaticContact CZ-CG 3.59Å; F169-F182 HydrophobicContact CZ-CG 3.59Å; F169-F182 HydrophobicContact CZ-CZ 4.37Å; Q178-F182 WeakPolarHBondContact O-CB 3.48Å; Q178-F182 PolarHBondContact O-N 3.32Å; E179-F182 PolarHBondContact O-N 2.9Å; F182-L184 PolarHBondContact O-N 3.26Å; F182-G185 WeakPolarHBondContact O-CA 3.28Å; F182-G185 PolarHBondContact O-N 3.02Å; F182-G185 VanDerWaalsContact O-N 3.09Å; F182-L186 HydrophobicContact CD1-CD1 4.12Å; F182-L186 HydrophobicContact CE1-CD1 3.66Å; F182-L186 HydrophobicContact CE2-CD1 4.24Å; F182-L186 HydrophobicContact CE2-CG 4.41Å; F182-L186 HydrophobicContact CZ-CD1 3.73Å; F182-L186 HydrophobicContact CZ-CG 4.36Å; F182-L186 WeakPolarHBondContact O-CG 3.42Å; F182-L186 PolarHBondContact O-N 2.92Å |
| 183 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 179.6 | -69.4 | 176.9 | 0 | 0 | 0 | 113.1 | V109 F147 I149 F154 V156 E179 S180 G185 L186 L188 | V109-L183 HydrophobicContact CG1-CD2 3.77Å; V109-L183 HydrophobicContact CG2-CD2 4.23Å; F147-L183 HydrophobicContact CB-CD1 3.76Å; F147-L183 HydrophobicContact CD1-CB 4.29Å; F147-L183 HydrophobicContact CD1-CD1 3.58Å; F147-L183 HydrophobicContact CD2-CB 3.73Å; F147-L183 HydrophobicContact CD2-CD1 4.13Å; F147-L183 HydrophobicContact CE1-CB 4.27Å; F147-L183 HydrophobicContact CE1-CD1 4.19Å; F147-L183 HydrophobicContact CE2-CB 3.74Å; F147-L183 HydrophobicContact CG-CB 4.03Å; F147-L183 HydrophobicContact CG-CD1 3.54Å; F147-L183 HydrophobicContact CG-CG 4.44Å; F147-L183 HydrophobicContact CZ-CB 4.03Å; I149-L183 HydrophobicContact CD1-CD1 3.72Å; F154-L183 HydrophobicContact CD2-CD2 3.95Å; F154-L183 HydrophobicContact CE2-CD2 3.9Å; F154-L183 HydrophobicContact CE2-CG 4.38Å; V156-L183 HydrophobicContact CG2-CD2 4.48Å; E179-L183 WeakPolarHBondContact O-CB 3.41Å; E179-L183 WeakPolarHBondContact O-CG 3.32Å; E179-L183 PolarHBondContact O-N 2.89Å; S180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.31Å; L183-L186 HydrophobicContact CD2-CD1 4.25Å; L183-L186 PolarHBondContact O-N 3.13Å; L183-L188 PolarHBondContact O-N 3.07Å |
| 184 | L | 98.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 170 | -72.7 | 171.9 | 0 | 0 | 0 | 111.4 | P146 F147 S180 F182 L186 G187 L188 | P146-L184 HydrophobicContact CB-CD1 4.5Å; P146-L184 HydrophobicContact CB-CD2 4.33Å; P146-L184 HydrophobicContact CG-CD1 4.18Å; F147-L184 HydrophobicContact CE2-CD2 3.99Å; F147-L184 HydrophobicContact CE2-CG 4Å; S180-L184 WeakPolarHBondContact O-CB 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.1Å; S180-L184 PolarHBondContact O-N 2.84Å; F182-L184 PolarHBondContact O-N 3.26Å; L184-L186 PolarHBondContact O-N 3.25Å; L184-G187 PolarHBondContact O-N 3.14Å; L184-L188 WeakPolarHBondContact CD2-O 3.39Å |
| 185 | G | 98 | Very high | 96.7 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -24.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q181 F182 L183 G187 | Q181-G185 PolarHBondContact O-N 2.94Å; F182-G185 WeakPolarHBondContact O-CA 3.28Å; F182-G185 PolarHBondContact O-N 3.02Å; F182-G185 VanDerWaalsContact O-N 3.09Å; L183-G185 VanDerWaalsContact C-N 3.31Å; G185-G187 VanDerWaalsContact C-N 3.25Å |
| 186 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.3 | 172.1 | -64.2 | 172.8 | 0 | 0 | 0 | 113.5 | V156 L160 I161 H164 A167 F182 L183 L184 L188 | V156-L186 HydrophobicContact CB-CD1 4.47Å; V156-L186 HydrophobicContact CG1-CD1 3.73Å; V156-L186 HydrophobicContact CG2-CD1 3.93Å; L160-L186 HydrophobicContact CD2-CB 4.12Å; L160-L186 HydrophobicContact CG-CB 4.32Å; I161-L186 HydrophobicContact CD1-CD1 4.06Å; I161-L186 HydrophobicContact CD1-CD2 3.77Å; H164-L186 HydrophobicContact CB-CD2 4Å; H164-L186 PolarHBondContact CE1-O 2.96Å; H164-L186 VanDerWaalsContact CE1-O 3.23Å; H164-L186 PolarHBondContact NE2-O 3.01Å; A167-L186 HydrophobicContact CB-CD2 3.52Å; A167-L186 HydrophobicContact CB-CG 3.94Å; F182-L186 HydrophobicContact CD1-CD1 4.12Å; F182-L186 HydrophobicContact CE1-CD1 3.66Å; F182-L186 HydrophobicContact CE2-CD1 4.24Å; F182-L186 HydrophobicContact CE2-CG 4.41Å; F182-L186 HydrophobicContact CZ-CD1 3.73Å; F182-L186 HydrophobicContact CZ-CG 4.36Å; F182-L186 WeakPolarHBondContact O-CG 3.42Å; F182-L186 PolarHBondContact O-N 2.92Å; L183-L186 HydrophobicContact CD2-CD1 4.25Å; L183-L186 PolarHBondContact O-N 3.13Å; L184-L186 PolarHBondContact O-N 3.25Å; L186-L188 HydrophobicContact CB-CD1 4.04Å |
| 187 | G | 98 | Very high | 97.7 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 47% | 0.474 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | 2.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L184 G185 | L184-G187 PolarHBondContact O-N 3.14Å; G185-G187 VanDerWaalsContact C-N 3.25Å |
| 188 | L | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | trans | -74.8 | 147.7 | 173.2 | -71.1 | 74.7 | 0 | 0 | 0 | 109.9 | V109 F147 L160 L183 L184 L186 E193 L194 | V109-L188 HydrophobicContact CB-CD2 3.93Å; V109-L188 HydrophobicContact CG1-CD2 4.43Å; V109-L188 HydrophobicContact CG2-CD1 3.68Å; V109-L188 HydrophobicContact CG2-CD2 3.77Å; V109-L188 HydrophobicContact CG2-CG 4.35Å; F147-L188 HydrophobicContact CE1-CB 4.1Å; F147-L188 HydrophobicContact CE1-CD2 3.97Å; F147-L188 HydrophobicContact CE2-CB 4.45Å; F147-L188 HydrophobicContact CZ-CB 3.51Å; F147-L188 HydrophobicContact CZ-CD2 4.23Å; L160-L188 HydrophobicContact CD2-CD1 3.98Å; L183-L188 PolarHBondContact O-N 3.07Å; L184-L188 WeakPolarHBondContact CD2-O 3.39Å; L186-L188 HydrophobicContact CB-CD1 4.04Å; L188-E193 HydrophobicContact CD2-CB 4.42Å; L188-L194 HydrophobicContact CD2-CD2 3.58Å | ||
| 189 | K | 97.5 | Very high | 97.9 | Very high | 161 Ų | 161 | 40.8 Ų | 40.8 | 70% | 0.7 | 21% | 0.21 | S | C | * | . | trans | -97.4 | -37.5 | -179.9 | -55.5 | 175.3 | -179.9 | 176.5 | 0 | 113 | E193 | K189-E193 WeakPolarHBondContact CA-OE2 3.46Å; K189-E193 WeakPolarHBondContact CB-OE2 3.46Å; K189-E193 WeakPolarHBondContact CG-OE2 3.21Å; K189-E193 PolarHBondContact N-OE2 2.74Å | ||
| 190 | N | 97.2 | Very high | 97.9 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -162.7 | 169.5 | 178.8 | 63.9 | 92.2 | 0 | 0 | 0 | 111.7 | F147 R192 E193 | F147-N190 WeakPolarHBondContact CE1-O 3.32Å; N190-R192 PolarHBondContact O-N 3.14Å; N190-R192 WeakPolarHBondContact OD1-CB 3.18Å; N190-R192 VanDerWaalsContact OD1-CG 3.23Å; N190-R192 WeakPolarHBondContact OD1-CG 3.33Å; N190-R192 PolarHBondContact OD1-N 3.41Å; N190-R192 VanDerWaalsContact OD1-N 3.08Å; N190-R192 PolarHBondContact OD1-NH1 3.41Å; N190-E193 PolarHBondContact O-N 2.77Å; N190-E193 VanDerWaalsContact O-N 3.11Å |
| 191 | W | 97.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 13% | 0.125 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -55 | -17.3 | -178.4 | 57.5 | -104.1 | 0 | 0 | 0 | 116 | I134 V135 M137 P146 F147 E193 L194 | I134-W191 HydrophobicContact CB-CE3 4.13Å; I134-W191 HydrophobicContact CB-CZ3 4.12Å; I134-W191 HydrophobicContact CG2-CE3 3.54Å; I134-W191 HydrophobicContact CG2-CZ3 3.62Å; I134-W191 WeakPolarHBondContact O-CZ3 3.3Å; V135-W191 WeakPolarHBondContact O-CH2 3.39Å; M137-W191 HydrophobicContact CG-CB 3.87Å; M137-W191 HydrophobicContact CG-CD2 3.64Å; M137-W191 HydrophobicContact CG-CE3 4.18Å; M137-W191 HydrophobicContact CG-CG 3.47Å; M137-W191 VanDerWaalsContact CG-CG 3.47Å; M137-W191 HydrophobicContact SD-CB 3.85Å; M137-W191 HydrophobicContact SD-CD2 4.09Å; M137-W191 HydrophobicContact SD-CE3 4.13Å; M137-W191 HydrophobicContact SD-CG 3.99Å; P146-W191 VanDerWaalsContact O-CD1 3.29Å; P146-W191 PolarHBondContact O-N 2.86Å; P146-W191 VanDerWaalsContact O-N 3.14Å; F147-W191 HydrophobicContact CD1-CB 4.17Å; W191-E193 PolarHBondContact O-N 2.63Å; W191-L194 HydrophobicContact CB-CD1 4.13Å; W191-L194 WeakPolarHBondContact O-CB 3.38Å; W191-L194 WeakPolarHBondContact O-CG 3.28Å; W191-L194 PolarHBondContact O-N 3.21Å |
| 192 | R | 97.2 | Very high | 97.9 | Very high | 153 Ų | 153 | 44.7 Ų | 44.7 | 58% | 0.577 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -68 | -17.3 | 176.7 | -65.5 | 175.6 | 179.6 | 77.5 | -0.8 | 113.5 | N190 L194 | N190-R192 PolarHBondContact O-N 3.14Å; N190-R192 WeakPolarHBondContact OD1-CB 3.18Å; N190-R192 VanDerWaalsContact OD1-CG 3.23Å; N190-R192 WeakPolarHBondContact OD1-CG 3.33Å; N190-R192 PolarHBondContact OD1-N 3.41Å; N190-R192 VanDerWaalsContact OD1-N 3.08Å; N190-R192 PolarHBondContact OD1-NH1 3.41Å; R192-L194 VanDerWaalsContact C-N 3.31Å |
| 193 | E | 97.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -85.5 | -3.9 | 178.2 | -66.1 | -178.2 | 59.5 | 0 | 0 | 113.3 | L188 K189 N190 W191 | L188-E193 HydrophobicContact CD2-CB 4.42Å; K189-E193 WeakPolarHBondContact CA-OE2 3.46Å; K189-E193 WeakPolarHBondContact CB-OE2 3.46Å; K189-E193 WeakPolarHBondContact CG-OE2 3.21Å; K189-E193 PolarHBondContact N-OE2 2.74Å; N190-E193 PolarHBondContact O-N 2.77Å; N190-E193 VanDerWaalsContact O-N 3.11Å; W191-E193 PolarHBondContact O-N 2.63Å |
| 194 | L | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.1 | 144.7 | -179.7 | -55.1 | 174 | 0 | 0 | 0 | 111.7 | V109 T111 I134 F147 I149 L188 W191 R192 P196 | V109-L194 HydrophobicContact CB-CD2 3.84Å; V109-L194 HydrophobicContact CG1-CD2 3.45Å; V109-L194 VanDerWaalsContact CG1-CD2 3.45Å; V109-L194 WeakPolarHBondContact O-CA 3.37Å; T111-L194 HydrophobicContact CG2-CB 3.51Å; T111-L194 HydrophobicContact CG2-CD1 3.76Å; T111-L194 HydrophobicContact CG2-CG 4.26Å; I134-L194 HydrophobicContact CD1-CB 3.79Å; I134-L194 WeakPolarHBondContact CD1-O 3.38Å; F147-L194 HydrophobicContact CD1-CD1 4.05Å; F147-L194 HydrophobicContact CD1-CD2 4.29Å; F147-L194 HydrophobicContact CD1-CG 4.33Å; F147-L194 HydrophobicContact CE1-CD2 4.16Å; F147-L194 HydrophobicContact CE1-CG 4.32Å; I149-L194 HydrophobicContact CD1-CD1 4.5Å; L188-L194 HydrophobicContact CD2-CD2 3.58Å; W191-L194 HydrophobicContact CB-CD1 4.13Å; W191-L194 WeakPolarHBondContact O-CB 3.38Å; W191-L194 WeakPolarHBondContact O-CG 3.28Å; W191-L194 PolarHBondContact O-N 3.21Å; R192-L194 VanDerWaalsContact C-N 3.31Å; L194-P196 WeakPolarHBondContact O-CD 3.35Å |
| 195 | E | 98.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.7 | 176.5 | -64.5 | 161.2 | -121.9 | 0 | 0 | 110.1 | N107 K108 V109 S110 T111 L197 | N107-E195 WeakPolarHBondContact CB-OE1 3.06Å; N107-E195 WeakPolarHBondContact CB-OE2 3.34Å; N107-E195 PolarHBondContact N-OE1 3.38Å; N107-E195 PolarHBondContact N-OE2 3.44Å; N107-E195 PolarHBondContact ND2-OE2 3.29Å; K108-E195 PolarHBondContact N-OE1 2.67Å; V109-E195 PolarHBondContact N-OE1 3.41Å; V109-E195 PolarHBondContact O-N 3.04Å; S110-E195 CarbonylContact C-O 3.55Å; S110-E195 VanDerWaalsContact CA-O 3.23Å; S110-E195 WeakPolarHBondContact CA-O 3.13Å; T111-E195 PolarHBondContact N-O 2.74Å; E195-L197 PolarHBondContact O-N 2.95Å |
| 196 | P | 98.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.5 | -177.9 | 29.9 | -33.3 | 0 | 0 | 0 | 111.5 | T127 I134 L194 C201 | T127-P196 HydrophobicContact CG2-CB 3.56Å; T127-P196 HydrophobicContact CG2-CG 3.99Å; I134-P196 HydrophobicContact CD1-CB 4.35Å; I134-P196 HydrophobicContact CG1-CB 3.93Å; I134-P196 HydrophobicContact CG1-CG 4.21Å; L194-P196 WeakPolarHBondContact O-CD 3.35Å; P196-C201 VanDerWaalsContact CB-SG 3.54Å |
| 197 | L | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | trans | -102.5 | -168.8 | 173.5 | -60.6 | -176 | 0 | 0 | 0 | 111.2 | E102 M103 T111 W112 E195 D199 G200 C201 | E102-L197 HydrophobicContact CB-CB 4.37Å; E102-L197 HydrophobicContact CB-CD1 4.16Å; M103-L197 HydrophobicContact CB-CD1 4.33Å; T111-L197 PolarHBondContact O-N 3.3Å; W112-L197 HydrophobicContact CE3-CB 4.18Å; W112-L197 HydrophobicContact CE3-CD1 4.07Å; W112-L197 HydrophobicContact CZ3-CD1 3.91Å; E195-L197 PolarHBondContact O-N 2.95Å; L197-D199 PolarHBondContact O-N 3.41Å; L197-G200 PolarHBondContact O-N 3.01Å; L197-C201 PolarHBondContact O-N 3.34Å | ||
| 198 | A | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | 58.6 | 50.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E102 W112 C201 R202 K203 L205 | E102-A198 PolarHBondContact OE2-N 3.36Å; W112-A198 HydrophobicContact CB-CB 3.85Å; A198-C201 PolarHBondContact O-N 3.49Å; A198-R202 PolarHBondContact O-N 2.96Å; A198-R202 VanDerWaalsContact O-N 3.07Å; A198-K203 HydrophobicContact CB-CB 4.33Å; A198-K203 PolarHBondContact O-N 2.03Å; A198-K203 VanDerWaalsContact O-N 3.16Å; A198-L205 HydrophobicContact CB-CD1 3.82Å; A198-L205 HydrophobicContact CB-CG 4.28Å |
| 199 | D | 97.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | 59.2 | 46.6 | -177.8 | -167.3 | 15.8 | 0 | 0 | 0 | 113.1 | R131 L197 R202 K203 | R131-D199 IonicContact CZ-OD1 2.8Å; R131-D199 IonicContact CZ-OD2 3.71Å; R131-D199 IonicContact NH1-OD1 3.52Å; R131-D199 PolarHBondContact NH1-OD1 3.27Å; R131-D199 IonicContact NH1-OD2 2.65Å; R131-D199 PolarHBondContact NH1-OD2 2.95Å; L197-D199 PolarHBondContact O-N 3.41Å; D199-R202 HydrophobicContact CB-CB 4.49Å; D199-R202 VanDerWaalsContact O-CB 3.32Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 VanDerWaalsContact O-CG 3.25Å; D199-R202 WeakPolarHBondContact O-CG 3.28Å; D199-K203 HydrophobicContact CB-CD 3.81Å; D199-K203 HydrophobicContact CB-CG 4.17Å; D199-K203 VanDerWaalsContact OD2-CE 3.3Å; D199-K203 WeakPolarHBondContact OD2-CE 2.99Å; D199-K203 IonicContact OD2-NZ 3.95Å; D199-K203 PolarHBondContact OD2-NZ 3.3Å |
| 200 | G | 97.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | 63.7 | 48.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T127 L197 R202 | T127-G200 WeakPolarHBondContact CG2-O 3.42Å; T127-G200 PolarHBondContact OG1-O 2.83Å; L197-G200 PolarHBondContact O-N 3.01Å; G200-R202 VanDerWaalsContact C-N 3.28Å; G200-R202 PolarHBondContact O-N 3.47Å |
| 201 | C | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | 58.1 | 35.8 | -179 | -46.1 | 0 | 0 | 0 | 0 | 114 | P113 C125 T127 P196 L197 A198 | P113-C201 HydrophobicContact CG-CB 3.74Å; P113-C201 WeakPolarHBondContact CG-O 3.43Å; C125-C201 HydrophobicContact CB-CB 3.98Å; C125-C201 WeakPolarHBondContact CB-SG 3.32Å; C125-C201 WeakPolarHBondContact O-CB 3.46Å; C125-C201 WeakPolarHBondContact SG-CB 3.28Å; C125-C201 CovalentContact SG-SG 2.02Å; C125-C201 PolarHBondContact SG-SG 2.89Å; T127-C201 HydrophobicContact CG2-CB 4.19Å; P196-C201 VanDerWaalsContact CB-SG 3.54Å; L197-C201 PolarHBondContact O-N 3.34Å; A198-C201 PolarHBondContact O-N 3.49Å |
| 202 | R | 97.2 | Very high | 97.2 | Very high | 145 Ų | 145 | 56.1 Ų | 56.1 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -5.2 | 178.7 | -65.6 | -69 | 178.4 | 155.2 | -3.5 | 113.6 | A198 D199 G200 | A198-R202 PolarHBondContact O-N 2.96Å; A198-R202 VanDerWaalsContact O-N 3.07Å; D199-R202 HydrophobicContact CB-CB 4.49Å; D199-R202 VanDerWaalsContact O-CB 3.32Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 VanDerWaalsContact O-CG 3.25Å; D199-R202 WeakPolarHBondContact O-CG 3.28Å; G200-R202 VanDerWaalsContact C-N 3.28Å; G200-R202 PolarHBondContact O-N 3.47Å |
| 203 | K | 98.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -125.5 | 136.4 | -179.4 | -64.3 | 173.5 | -174.6 | 163.4 | 0 | 110 | A198 D199 L205 | A198-K203 HydrophobicContact CB-CB 4.33Å; A198-K203 PolarHBondContact O-N 2.03Å; A198-K203 VanDerWaalsContact O-N 3.16Å; D199-K203 HydrophobicContact CB-CD 3.81Å; D199-K203 HydrophobicContact CB-CG 4.17Å; D199-K203 VanDerWaalsContact OD2-CE 3.3Å; D199-K203 WeakPolarHBondContact OD2-CE 2.99Å; D199-K203 IonicContact OD2-NZ 3.95Å; D199-K203 PolarHBondContact OD2-NZ 3.3Å; K203-L205 HydrophobicContact CB-CD2 4.37Å; K203-L205 HydrophobicContact CB-CG 4.21Å |
| 204 | I | 98.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -85.9 | 118.3 | 165.7 | -48.7 | -52.1 | 0 | 0 | 0 | 107 | P113 W122 V206 W207 | P113-I204 HydrophobicContact CB-CD1 3.38Å; P113-I204 HydrophobicContact CG-CD1 4.36Å; W122-I204 HydrophobicContact CB-CD1 3.67Å; W122-I204 HydrophobicContact CD2-CD1 4.37Å; W122-I204 HydrophobicContact CG-CD1 3.98Å; I204-V206 VanDerWaalsContact CG2-O 3.28Å; I204-V206 WeakPolarHBondContact CG2-O 3.15Å; I204-W207 HydrophobicContact CB-CZ2 4.05Å; I204-W207 HydrophobicContact CG2-CD2 4.07Å; I204-W207 HydrophobicContact CG2-CG 4.44Å; I204-W207 HydrophobicContact CG2-CH2 4.39Å; I204-W207 HydrophobicContact CG2-CZ2 3.75Å; I204-W207 VanDerWaalsContact O-CH2 3.27Å; I204-W207 WeakPolarHBondContact O-CH2 3.44Å | ||
| 205 | L | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | trans | -120.9 | -2.3 | 178.4 | -61.2 | 178.5 | 0 | 0 | 0 | 112.8 | N96 R98 I99 A198 K203 W207 | N96-L205 HydrophobicContact CB-CB 4.22Å; N96-L205 HydrophobicContact CB-CD2 4.26Å; N96-L205 WeakPolarHBondContact CB-O 3.43Å; N96-L205 PolarHBondContact N-O 3.46Å; R98-L205 HydrophobicContact CB-CD1 4.17Å; R98-L205 HydrophobicContact CB-CD2 4.36Å; I99-L205 HydrophobicContact CB-CB 3.87Å; I99-L205 HydrophobicContact CB-CD1 4.41Å; I99-L205 HydrophobicContact CD1-CB 4.17Å; I99-L205 HydrophobicContact CD1-CD1 4.04Å; I99-L205 HydrophobicContact CG1-CB 4.32Å; A198-L205 HydrophobicContact CB-CD1 3.82Å; A198-L205 HydrophobicContact CB-CG 4.28Å; K203-L205 HydrophobicContact CB-CD2 4.37Å; K203-L205 HydrophobicContact CB-CG 4.21Å; L205-W207 VanDerWaalsContact C-CZ3 3.5Å | ||
| 206 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.1 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | S94 Y95 I99 G115 A152 I204 | S94-V206 WeakPolarHBondContact O-CA 3.06Å; Y95-V206 HydrophobicContact CD1-CG1 3.7Å; Y95-V206 HydrophobicContact CD1-CG2 4.12Å; Y95-V206 HydrophobicContact CE1-CG1 3.84Å; I99-V206 HydrophobicContact CB-CG2 4.16Å; I99-V206 HydrophobicContact CG1-CG2 3.92Å; I99-V206 HydrophobicContact CG2-CG2 3.8Å; G115-V206 PolarHBondContact N-O 2.73Å; A152-V206 HydrophobicContact CB-CG1 3.86Å; I204-V206 VanDerWaalsContact CG2-O 3.28Å; I204-V206 WeakPolarHBondContact CG2-O 3.15Å |
| 207 | W | 98.7 | Very high | 96 | Very high | 75 Ų | 75 | 71.5 Ų | 71.5 | 28% | 0.284 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.1 | 176.6 | -63.9 | -103.5 | 0 | 0 | 0 | 109.8 | S94 N96 G115 F116 I204 L205 T209 | S94-W207 PolarHBondContact N-O 3.14Å; S94-W207 PolarHBondContact O-N 3.14Å; N96-W207 HydrophobicContact CB-CZ3 4.2Å; G115-W207 WeakPolarHBondContact O-CA 3.42Å; F116-W207 HydrophobicContact CD2-CB 4.19Å; F116-W207 AromaticContact CD2-CD1 3.79Å; F116-W207 HydrophobicContact CD2-CG 4.4Å; F116-W207 AromaticContact CE2-CD1 3.53Å; F116-W207 HydrophobicContact CE2-CG 4.34Å; I204-W207 HydrophobicContact CB-CZ2 4.05Å; I204-W207 HydrophobicContact CG2-CD2 4.07Å; I204-W207 HydrophobicContact CG2-CG 4.44Å; I204-W207 HydrophobicContact CG2-CH2 4.39Å; I204-W207 HydrophobicContact CG2-CZ2 3.75Å; I204-W207 VanDerWaalsContact O-CH2 3.27Å; I204-W207 WeakPolarHBondContact O-CH2 3.44Å; L205-W207 VanDerWaalsContact C-CZ3 3.5Å; W207-T209 HydrophobicContact CB-CG2 4.1Å; W207-T209 PolarHBondContact O-N 2.85Å |
| 208 | H | 97.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 75.8 Ų | 75.8 | 13% | 0.125 | 39% | 0.394 | C | S | . | . | trans | -78.5 | 65.7 | 173 | -168.7 | -51.4 | 0 | 0 | 0 | 109.6 | V114 G115 A117 D150 | V114-H208 HydrophobicContact CG1-CB 4.03Å; G115-H208 PolarHBondContact O-N 3.27Å; A117-H208 HydrophobicContact CB-CB 4.41Å; D150-H208 IonicContact OD1-CD2 3.44Å; D150-H208 IonicContact OD2-CD2 3.64Å; D150-H208 PolarHBondContact OD2-CD2 3.06Å; D150-H208 IonicContact OD2-NE2 3.53Å | ||
| 209 | T | 97 | Very high | 95.6 | Very high | 38 Ų | 38 | 80 Ų | 80 | 23% | 0.233 | 41% | 0.409 | C | S | . | . | trans | -70.2 | 156.7 | 174.6 | 44 | 0 | 0 | 0 | 0 | 111.2 | D92 N93 S94 W207 | D92-T209 CarbonylContact O-C 3.4Å; D92-T209 PolarHBondContact O-OG1 3.3Å; N93-T209 WeakPolarHBondContact CA-OG1 3.49Å; S94-T209 PolarHBondContact N-OG1 3.42Å; S94-T209 PolarHBondContact OG-OG1 3.03Å; W207-T209 HydrophobicContact CB-CG2 4.1Å; W207-T209 PolarHBondContact O-N 2.85Å | ||
| 210 | R | 93.5 | Very high | 95.5 | Very high | 147 Ų | 147 | 82.3 Ų | 82.3 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | trans | -137.4 | 139.3 | 169.5 | -69.9 | -172.2 | 173.7 | 140.4 | 5 | 108.8 | ||||
| 211 | T | 93 | Very high | 95.4 | Very high | 123 Ų | 123 | 87.1 Ų | 87.1 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 132.4 | 172.4 | -52.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 212 | A | 92.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -66 | 149.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 213 | E | 90.2 | Very high | 95.1 | Very high | 183 Ų | 183 | 87.6 Ų | 87.6 | 86% | 0.855 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 133.2 | 172.3 | -69.2 | -175.6 | 174.7 | 0 | 0 | 109.8 | ||
| 214 | P | 91.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 88.2 Ų | 88.2 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 136.4 | -179 | 26.1 | -33.4 | 0 | 0 | 0 | 110.9 | L216 | P214-L216 HydrophobicContact CB-CD2 4.22Å; P214-L216 HydrophobicContact CB-CG 4.21Å; P214-L216 HydrophobicContact CG-CD1 4.29Å; P214-L216 HydrophobicContact CG-CG 4.22Å; P214-L216 PolarHBondContact O-N 3.05Å; P214-L216 VanDerWaalsContact O-N 3.14Å |
| 215 | L | 94.4 | Very high | 94.8 | Very high | 162 Ų | 162 | 91.8 Ų | 91.8 | 85% | 0.848 | 48% | 0.479 | S | S | * | . | trans | -74.6 | 101.3 | 169.7 | -97.7 | 81.8 | 0 | 0 | 0 | 109.6 | ||||
| 216 | L | 93 | Very high | 94.6 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | trans | -101.9 | 25 | 179.8 | -62.6 | -178.9 | 0 | 0 | 0 | 113.2 | P214 L218 W219 H220 | P214-L216 HydrophobicContact CB-CD2 4.22Å; P214-L216 HydrophobicContact CB-CG 4.21Å; P214-L216 HydrophobicContact CG-CD1 4.29Å; P214-L216 HydrophobicContact CG-CG 4.22Å; P214-L216 PolarHBondContact O-N 3.05Å; P214-L216 VanDerWaalsContact O-N 3.14Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 3.11Å; L216-W219 HydrophobicContact CB-CB 4.25Å; L216-W219 WeakPolarHBondContact O-CB 3.44Å; L216-W219 PolarHBondContact O-N 3.26Å; L216-H220 PolarHBondContact O-CD2 3.06Å; L216-H220 PolarHBondContact O-N 3.03Å | ||
| 217 | T | 95.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -53.9 | -46.4 | -175.7 | -49.2 | 0 | 0 | 0 | 0 | 113.1 | H220 E221 | T217-H220 PolarHBondContact O-N 2.67Å; T217-E221 PolarHBondContact O-N 3.02Å; T217-E221 VanDerWaalsContact O-N 3.14Å |
| 218 | L | 94.8 | Very high | 93.9 | Very high | 116 Ų | 116 | 101.2 Ų | 101.2 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.4 | -36.5 | 179.1 | -177.2 | 63.7 | 0 | 0 | 0 | 112 | L216 E221 L222 | L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 3.11Å; L218-E221 PolarHBondContact O-N 3.44Å; L218-L222 HydrophobicContact CG-CD1 4.29Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.26Å |
| 219 | W | 93.2 | Very high | 93.6 | Very high | 88 Ų | 88 | 103.1 Ų | 103.1 | 33% | 0.333 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | 175.4 | 171.2 | -108.4 | 0 | 0 | 0 | 110.9 | L216 E221 L222 E223 | L216-W219 HydrophobicContact CB-CB 4.25Å; L216-W219 WeakPolarHBondContact O-CB 3.44Å; L216-W219 PolarHBondContact O-N 3.26Å; W219-E221 VanDerWaalsContact C-N 3.28Å; W219-E221 PolarHBondContact O-N 3Å; W219-L222 PolarHBondContact O-N 3.48Å; W219-E223 HydrophobicContact CZ2-CB 4.42Å; W219-E223 VanDerWaalsContact O-CB 3.28Å; W219-E223 WeakPolarHBondContact O-CB 3.45Å; W219-E223 PolarHBondContact O-N 3.49Å |
| 220 | H | 93.3 | Very high | 93.3 | Very high | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.486 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.8 | -33.3 | 177 | -65.3 | -48.3 | 0 | 0 | 0 | 113.1 | L216 T217 E223 S224 | L216-H220 PolarHBondContact O-CD2 3.06Å; L216-H220 PolarHBondContact O-N 3.03Å; T217-H220 PolarHBondContact O-N 2.67Å; H220-E223 IonicContact ND1-OE2 3.48Å; H220-E223 PolarHBondContact ND1-OE2 2.96Å; H220-S224 WeakPolarHBondContact O-CB 3.35Å; H220-S224 PolarHBondContact O-N 3.4Å |
| 221 | E | 95.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 105.1 Ų | 105.1 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -49.2 | 171.8 | -176.1 | 177.2 | 178.4 | 0 | 0 | 111.4 | T217 L218 W219 E223 S224 Q225 | T217-E221 PolarHBondContact O-N 3.02Å; T217-E221 VanDerWaalsContact O-N 3.14Å; L218-E221 PolarHBondContact O-N 3.44Å; W219-E221 VanDerWaalsContact C-N 3.28Å; W219-E221 PolarHBondContact O-N 3Å; E221-E223 PolarHBondContact O-N 2.8Å; E221-S224 PolarHBondContact O-N 3.17Å; E221-S224 PolarHBondContact O-OG 3.01Å; E221-Q225 WeakPolarHBondContact O-CG 3.28Å; E221-Q225 PolarHBondContact O-N 3.32Å |
| 222 | L | 95.9 | Very high | 92.5 | Very high | 58 Ų | 58 | 103.9 Ų | 103.9 | 30% | 0.304 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.1 | -42.6 | 177.7 | -70.3 | 172 | 0 | 0 | 0 | 112.3 | L218 W219 S224 Q225 G226 V227 | L218-L222 HydrophobicContact CG-CD1 4.29Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 3.26Å; W219-L222 PolarHBondContact O-N 3.48Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.34Å; L222-Q225 CarbonylContact O-C 3.57Å; L222-Q225 WeakPolarHBondContact O-CA 3.1Å; L222-Q225 WeakPolarHBondContact O-CB 3.03Å; L222-Q225 PolarHBondContact O-N 3.12Å; L222-G226 PolarHBondContact O-N 3.26Å; L222-V227 HydrophobicContact CB-CB 4.03Å; L222-V227 HydrophobicContact CB-CG1 4.44Å; L222-V227 HydrophobicContact CB-CG2 4.34Å; L222-V227 HydrophobicContact CD2-CB 4.49Å; L222-V227 HydrophobicContact CD2-CG2 4.08Å; L222-V227 WeakPolarHBondContact O-CB 3.45Å; L222-V227 PolarHBondContact O-N 3.03Å |
| 223 | E | 93.5 | Very high | 91.7 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.5 | -40.9 | 176.4 | -175.3 | 174.7 | -134.4 | 0 | 0 | 111.1 | W219 H220 E221 Q225 G226 | W219-E223 HydrophobicContact CZ2-CB 4.42Å; W219-E223 VanDerWaalsContact O-CB 3.28Å; W219-E223 WeakPolarHBondContact O-CB 3.45Å; W219-E223 PolarHBondContact O-N 3.49Å; H220-E223 IonicContact ND1-OE2 3.48Å; H220-E223 PolarHBondContact ND1-OE2 2.96Å; E221-E223 PolarHBondContact O-N 2.8Å; E223-Q225 PolarHBondContact O-N 3.27Å; E223-G226 PolarHBondContact O-N 3.06Å |
| 224 | S | 94.8 | Very high | 90.8 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 69% | 0.685 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -22.3 | 175.1 | 80.2 | 0 | 0 | 0 | 0 | 114 | H220 E221 L222 G226 | H220-S224 WeakPolarHBondContact O-CB 3.35Å; H220-S224 PolarHBondContact O-N 3.4Å; E221-S224 PolarHBondContact O-N 3.17Å; E221-S224 PolarHBondContact O-OG 3.01Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.34Å; S224-G226 VanDerWaalsContact C-N 3.34Å |
| 225 | Q | 96.5 | Very high | 89.7 | Confident | 125 Ų | 125 | 107.4 Ų | 107.4 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 1 | 174.8 | -63.7 | 173.3 | 13 | 0 | 0 | 112.7 | E221 L222 E223 V227 | E221-Q225 WeakPolarHBondContact O-CG 3.28Å; E221-Q225 PolarHBondContact O-N 3.32Å; L222-Q225 CarbonylContact O-C 3.57Å; L222-Q225 WeakPolarHBondContact O-CA 3.1Å; L222-Q225 WeakPolarHBondContact O-CB 3.03Å; L222-Q225 PolarHBondContact O-N 3.12Å; E223-Q225 PolarHBondContact O-N 3.27Å; Q225-V227 VanDerWaalsContact C-N 3.35Å; Q225-V227 HydrophobicContact CB-CG2 4.32Å |
| 226 | G | 95.1 | Very high | 88 | Confident | 61 Ų | 61 | 106.1 Ų | 106.1 | 63% | 0.629 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 17.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L222 E223 S224 | L222-G226 PolarHBondContact O-N 3.26Å; E223-G226 PolarHBondContact O-N 3.06Å; S224-G226 VanDerWaalsContact C-N 3.34Å |
| 227 | V | 94.5 | Very high | 87.7 | Confident | 64 Ų | 64 | 107.4 Ų | 107.4 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 128.4 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | L222 Q225 | L222-V227 HydrophobicContact CB-CB 4.03Å; L222-V227 HydrophobicContact CB-CG1 4.44Å; L222-V227 HydrophobicContact CB-CG2 4.34Å; L222-V227 HydrophobicContact CD2-CB 4.49Å; L222-V227 HydrophobicContact CD2-CG2 4.08Å; L222-V227 WeakPolarHBondContact O-CB 3.45Å; L222-V227 PolarHBondContact O-N 3.03Å; Q225-V227 VanDerWaalsContact C-N 3.35Å; Q225-V227 HydrophobicContact CB-CG2 4.32Å |
| 228 | I | 87.8 | Confident | 87.3 | Confident | 151 Ų | 151 | 107.6 Ų | 107.6 | 77% | 0.774 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 129.4 | 175.1 | -54.6 | 175.1 | 0 | 0 | 0 | 107.6 | ||
| 229 | S | 89.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 107.2 Ų | 107.2 | 47% | 0.469 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 139 | 172.1 | -178 | 0 | 0 | 0 | 0 | 109.7 | ||
| 230 | P | 90.3 | Very high | 86.6 | Confident | 101 Ų | 101 | 108.3 Ų | 108.3 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -51 | 142.2 | 165.4 | -23.9 | 33.8 | 0 | 0 | 0 | 110.3 | ||
| 231 | P | 86.6 | Confident | 86.1 | Confident | 126 Ų | 126 | 108.5 Ų | 108.5 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141 | 175.8 | 28.8 | -34.1 | 0 | 0 | 0 | 109.3 | ||
| 232 | I | 83.6 | Confident | 85.5 | Confident | 97 Ų | 97 | 108.5 Ų | 108.5 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | trans | -130.7 | 121.5 | 168.2 | -173.9 | -176.2 | 0 | 0 | 0 | 106.6 | D234 W235 | I232-D234 VanDerWaalsContact CG1-OD1 3.31Å; I232-D234 WeakPolarHBondContact CG1-OD1 3.46Å; I232-D234 PolarHBondContact O-N 3.01Å; I232-D234 VanDerWaalsContact O-N 3.12Å; I232-W235 HydrophobicContact CG2-CB 3.43Å; I232-W235 VanDerWaalsContact CG2-CB 3.43Å; I232-W235 HydrophobicContact CG2-CD2 4.25Å; I232-W235 HydrophobicContact CG2-CE3 4.32Å; I232-W235 HydrophobicContact CG2-CG 3.89Å; I232-W235 WeakPolarHBondContact O-CB 3.35Å; I232-W235 PolarHBondContact O-N 3.31Å | ||
| 233 | D | 76.9 | Confident | 84.8 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -25.5 | -163.3 | -66.8 | -30 | 0 | 0 | 0 | 113 | W24 | W24-D233 WeakPolarHBondContact CH2-O 3.31Å; W24-D233 WeakPolarHBondContact CZ3-O 3.49Å |
| 234 | D | 70.9 | Confident | 84.1 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 58% | 0.578 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 11.9 | 179.4 | 65.8 | -20 | 0 | 0 | 0 | 113.9 | I232 | I232-D234 VanDerWaalsContact CG1-OD1 3.31Å; I232-D234 WeakPolarHBondContact CG1-OD1 3.46Å; I232-D234 PolarHBondContact O-N 3.01Å; I232-D234 VanDerWaalsContact O-N 3.12Å |
| 235 | W | 67.5 | Low | 83.2 | Confident | 187 Ų | 187 | 113.9 Ų | 113.9 | 71% | 0.708 | 65% | 0.646 | S | S | * | * | trans | -71.5 | 138.3 | 170.6 | -152.7 | -121.1 | 0 | 0 | 0 | 111.3 | I232 | I232-W235 HydrophobicContact CG2-CB 3.43Å; I232-W235 VanDerWaalsContact CG2-CB 3.43Å; I232-W235 HydrophobicContact CG2-CD2 4.25Å; I232-W235 HydrophobicContact CG2-CE3 4.32Å; I232-W235 HydrophobicContact CG2-CG 3.89Å; I232-W235 WeakPolarHBondContact O-CB 3.35Å; I232-W235 PolarHBondContact O-N 3.31Å | ||
| 236 | P | 59.1 | Low | 82 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 88% | 0.877 | 65% | 0.652 | S | S | * | * | trans | -68.8 | 0 | 166.2 | 27.7 | -32.7 | 0 | 0 | 0 | 115.5 | V25 | V25-P236 HydrophobicContact CG1-CB 4.23Å; V25-P236 HydrophobicContact CG2-CB 3.91Å |
Retrieved 236 of 236 residues in 876.2 ms
(Link to these results)