M4ABX4_XIPMA Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession M4ABX4, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 158 aa.

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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
1M91.2Very high97Very high50 Ų5041.5 Ų41.525%0.24618%0.176CC..  0134.30-175-158.4176.700113.4R3 T21 E72 D75 G120 E122M1-R3 PolarHBondContact O-N 3.49Å; M1-T21 HydrophobicContact CE-CG2 4.07Å; M1-T21 HydrophobicContact SD-CG2 4.49Å; M1-E72 PolarHBondContact N-OE2 2.79Å; M1-E72 WeakPolarHBondContact O-CG 3.45Å; M1-E72 PolarHBondContact O-N 3.15Å; M1-D75 WeakPolarHBondContact CA-OD2 3.4Å; M1-D75 PolarHBondContact N-OD1 2.64Å; M1-D75 PolarHBondContact N-OD2 3.43Å; M1-G120 WeakPolarHBondContact CE-O 3.46Å; M1-E122 WeakPolarHBondContact CA-OE1 3.21Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å
2M97.2Very high96.8Very high6 Ų640.8 Ų40.83%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-69.8127170.7-170.4-176.8-58.700111.6M5 Y20 C69 A70 I71 T80 I83 L118 G121M2-M5 HydrophobicContact SD-CB 4.02Å; M2-Y20 HydrophobicContact CB-CD2 4.39Å; M2-Y20 HydrophobicContact CG-CD2 4.24Å; M2-Y20 HydrophobicContact CG-CE2 4.26Å; M2-Y20 WeakPolarHBondContact O-CB 3.37Å; M2-Y20 HydrophobicContact SD-CD2 4.37Å; M2-Y20 HydrophobicContact SD-CE2 3.8Å; M2-C69 HydrophobicContact CE-CB 3.93Å; M2-C69 HydrophobicContact CG-CB 4.35Å; M2-C69 HydrophobicContact SD-CB 3.97Å; M2-A70 CarbonylContact C-O 3.57Å; M2-A70 WeakPolarHBondContact CA-O 3.42Å; M2-A70 WeakPolarHBondContact CG-O 3.39Å; M2-I71 HydrophobicContact CB-CG2 4.28Å; M2-I71 HydrophobicContact CG-CG2 4.24Å; M2-T80 HydrophobicContact CE-CG2 4.27Å; M2-I83 HydrophobicContact CE-CG2 4.2Å; M2-L118 HydrophobicContact CE-CD1 4.28Å; M2-L118 HydrophobicContact SD-CD1 4.41Å; M2-G121 VanDerWaalsContact CB-O 3.23Å; M2-G121 WeakPolarHBondContact CB-O 3.27Å; M2-G121 PolarHBondContact N-O 2.91Å; M2-G121 WeakPolarHBondContact O-CA 3.02Å
3R97.6Very high96.8Very high79 Ų7946.1 Ų46.130%0.29821%0.211SC..EExtended strand (participates in β ladder)trans-80.9-44.4178.4-62.5-66-169.1-177.91.2112.3M1 Y20 L55 A70 E72M1-R3 PolarHBondContact O-N 3.49Å; R3-Y20 PolarHBondContact O-N 2.7Å; R3-L55 HydrophobicContact CG-CD1 4.08Å; R3-L55 HydrophobicContact CG-CD2 3.85Å; R3-A70 HydrophobicContact CB-CB 4.4Å; R3-A70 PolarHBondContact N-O 3.01Å; R3-E72 IonicContact CZ-OE1 2.64Å; R3-E72 IonicContact NE-OE1 3.36Å; R3-E72 PolarHBondContact NE-OE1 3.22Å; R3-E72 IonicContact NH1-OE1 2.78Å; R3-E72 IonicContact NH2-OE1 2.77Å; R3-E72 PolarHBondContact NH2-OE1 3.48Å
4F98.3Very high96.9Very high1 Ų147.1 Ų47.10%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-161.7159.5178.656.2-96.4000111.8L6 K18 W19 M31 L35 W52 C69 A70F4-L6 HydrophobicContact CD2-CD1 4.21Å; F4-L6 HydrophobicContact CD2-CD2 4.16Å; F4-L6 HydrophobicContact CD2-CG 3.85Å; F4-L6 HydrophobicContact CE2-CD1 4Å; F4-L6 HydrophobicContact CE2-CG 4.14Å; F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.21Å; F4-K18 WeakPolarHBondContact CB-O 3.49Å; F4-W19 HydrophobicContact CB-CD2 3.96Å; F4-W19 HydrophobicContact CB-CE3 3.69Å; F4-W19 HydrophobicContact CB-CG 4.45Å; F4-W19 HydrophobicContact CB-CZ3 4.06Å; F4-W19 AromaticContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CE3 3.72Å; F4-W19 AromaticContact CD1-CH2 3.99Å; F4-W19 HydrophobicContact CD1-CH2 3.99Å; F4-W19 AromaticContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CE1-CH2 4.26Å; F4-W19 AromaticContact CE1-CZ3 3.82Å; F4-W19 HydrophobicContact CE1-CZ3 3.82Å; F4-W19 HydrophobicContact CG-CD2 4.47Å; F4-W19 AromaticContact CG-CE3 3.9Å; F4-W19 HydrophobicContact CG-CE3 3.9Å; F4-W19 HydrophobicContact CG-CH2 4.15Å; F4-W19 AromaticContact CG-CZ3 3.72Å; F4-W19 HydrophobicContact CG-CZ3 3.72Å; F4-M31 HydrophobicContact CE1-CE 3.69Å; F4-M31 HydrophobicContact CZ-CE 4.23Å; F4-L35 HydrophobicContact CE2-CD1 3.57Å; F4-L35 HydrophobicContact CZ-CD1 3.45Å; F4-L35 VanDerWaalsContact CZ-CD1 3.45Å; F4-W52 HydrophobicContact CZ-CZ3 4.15Å; F4-C69 WeakPolarHBondContact O-CA 2.99Å; F4-A70 HydrophobicContact CD1-CB 3.96Å; F4-A70 HydrophobicContact CD2-CB 4Å; F4-A70 HydrophobicContact CE1-CB 3.48Å; F4-A70 VanDerWaalsContact CE1-CB 3.48Å; F4-A70 HydrophobicContact CE2-CB 3.54Å; F4-A70 HydrophobicContact CG-CB 4.2Å; F4-A70 HydrophobicContact CZ-CB 3.26Å; F4-A70 PolarHBondContact O-N 3.5Å
5M98.5Very high97Very high0 Ų048 Ų480%022%0.219CC..EExtended strand (participates in β ladder)trans-126.1131.7172.9-177.7169.9-172.700109.9M2 L7 Q17 K18 F67 C68 I84 F87 L114M2-M5 HydrophobicContact SD-CB 4.02Å; M5-L7 HydrophobicContact CE-CD1 3.88Å; M5-L7 HydrophobicContact CG-CD1 4.14Å; M5-Q17 WeakPolarHBondContact O-CA 3.17Å; M5-K18 PolarHBondContact N-O 3.01Å; M5-K18 PolarHBondContact O-N 3.46Å; M5-F67 HydrophobicContact CE-CD1 3.78Å; M5-C68 CarbonylContact C-O 3.5Å; M5-C68 WeakPolarHBondContact CA-O 3.23Å; M5-I84 HydrophobicContact CE-CG1 4.5Å; M5-F87 HydrophobicContact CE-CD1 3.46Å; M5-F87 VanDerWaalsContact CE-CD1 3.46Å; M5-F87 HydrophobicContact CE-CE1 4Å; M5-F87 HydrophobicContact CE-CG 4.28Å; M5-F87 HydrophobicContact SD-CD1 4.43Å; M5-L114 HydrophobicContact SD-CD1 3.8Å; M5-L114 HydrophobicContact SD-CD2 4.42Å
6L98.5Very high97.1Very high0 Ų045.1 Ų45.10%021%0.206CC..EExtended strand (participates in β ladder)trans-120.6135.8178.6-52.4178.4000110F4 F8 L14 L16 Q17 V32 C68F4-L6 HydrophobicContact CD2-CD1 4.21Å; F4-L6 HydrophobicContact CD2-CD2 4.16Å; F4-L6 HydrophobicContact CD2-CG 3.85Å; F4-L6 HydrophobicContact CE2-CD1 4Å; F4-L6 HydrophobicContact CE2-CG 4.14Å; L6-F8 HydrophobicContact CB-CD1 4.09Å; L6-F8 HydrophobicContact CB-CE1 4.25Å; L6-L14 HydrophobicContact CB-CD1 4.45Å; L6-L14 HydrophobicContact CD2-CD1 4.45Å; L6-L16 WeakPolarHBondContact CA-O 3.34Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; L6-V32 HydrophobicContact CD1-CG2 4.05Å; L6-V32 HydrophobicContact CD2-CG2 3.9Å; L6-C68 HydrophobicContact CB-CB 4.34Å; L6-C68 PolarHBondContact N-O 2.64Å; L6-C68 PolarHBondContact O-N 2.8Å
7L98.4Very high97.1Very high0 Ų045.8 Ų45.80%021%0.209CC..EExtended strand (participates in β ladder)trans-114129.1163.2-77.655.9000108.8M5 R15 L16 Y66 F67 F87 I103M5-L7 HydrophobicContact CE-CD1 3.88Å; M5-L7 HydrophobicContact CG-CD1 4.14Å; L7-R15 HydrophobicContact CB-CB 4.21Å; L7-R15 PolarHBondContact O-N 2.88Å; L7-L16 HydrophobicContact CB-CB 3.9Å; L7-L16 HydrophobicContact CD1-CB 4.26Å; L7-L16 HydrophobicContact CD1-CD2 4.24Å; L7-L16 HydrophobicContact CD2-CB 4.08Å; L7-L16 HydrophobicContact CG-CB 4.3Å; L7-L16 PolarHBondContact N-O 3.44Å; L7-L16 PolarHBondContact O-N 3.04Å; L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.45Å; L7-F67 HydrophobicContact CD1-CD1 3.62Å; L7-F67 HydrophobicContact CD1-CE1 3.92Å; L7-F67 HydrophobicContact CD1-CG 4.35Å; L7-F67 HydrophobicContact CD2-CD1 4.08Å; L7-F67 HydrophobicContact CD2-CE1 3.5Å; L7-F67 HydrophobicContact CD2-CZ 3.87Å; L7-F67 HydrophobicContact CG-CD1 3.65Å; L7-F67 HydrophobicContact CG-CE1 3.61Å; L7-F67 HydrophobicContact CG-CG 4.19Å; L7-F67 HydrophobicContact CG-CZ 4.1Å; L7-F87 HydrophobicContact CD1-CE1 4.38Å; L7-F87 HydrophobicContact CD2-CE1 4.23Å; L7-I103 HydrophobicContact CD2-CD1 4.33Å
8F98.6Very high97.2Very high0 Ų045.9 Ų45.90%021%0.209CC..EExtended strand (participates in β ladder)trans-146.5151.4175.452.1-89.3000112L6 K13 L14 M36 V39 L40 Y66 C68L6-F8 HydrophobicContact CB-CD1 4.09Å; L6-F8 HydrophobicContact CB-CE1 4.25Å; F8-K13 CarbonylContact C-O 3.51Å; F8-K13 WeakPolarHBondContact CA-O 3.43Å; F8-K13 WeakPolarHBondContact CB-O 3.42Å; F8-L14 HydrophobicContact CB-CD1 4.42Å; F8-M36 HydrophobicContact CB-CE 3.58Å; F8-M36 HydrophobicContact CB-CG 4.31Å; F8-M36 HydrophobicContact CB-SD 4.03Å; F8-M36 HydrophobicContact CD1-CG 3.63Å; F8-M36 HydrophobicContact CD1-SD 4.25Å; F8-M36 HydrophobicContact CD2-CB 4.47Å; F8-M36 HydrophobicContact CD2-CE 4.11Å; F8-M36 HydrophobicContact CD2-CG 3.93Å; F8-M36 HydrophobicContact CE1-CG 3.82Å; F8-M36 HydrophobicContact CE2-CB 4.41Å; F8-M36 HydrophobicContact CE2-CG 4.1Å; F8-M36 HydrophobicContact CG-CE 3.88Å; F8-M36 HydrophobicContact CG-CG 3.69Å; F8-M36 HydrophobicContact CG-SD 4.07Å; F8-M36 HydrophobicContact CZ-CG 4.05Å; F8-V39 HydrophobicContact CE2-CB 4.36Å; F8-V39 HydrophobicContact CE2-CG1 4.16Å; F8-V39 HydrophobicContact CZ-CB 3.92Å; F8-V39 HydrophobicContact CZ-CG1 3.84Å; F8-V39 HydrophobicContact CZ-CG2 4.4Å; F8-L40 HydrophobicContact CD2-CD2 4.38Å; F8-L40 HydrophobicContact CD2-CG 4.46Å; F8-L40 HydrophobicContact CE2-CD2 4.14Å; F8-L40 HydrophobicContact CE2-CG 4.07Å; F8-Y66 HydrophobicContact CD2-CD2 4.33Å; F8-Y66 HydrophobicContact CD2-CG 4.28Å; F8-Y66 VanDerWaalsContact CE2-CB 3.43Å; F8-Y66 HydrophobicContact CE2-CD1 4.45Å; F8-Y66 HydrophobicContact CE2-CD2 4.15Å; F8-Y66 AromaticContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CZ-CG 4.35Å; F8-Y66 PolarHBondContact N-O 2.89Å; F8-Y66 PolarHBondContact O-N 3.11Å; F8-C68 HydrophobicContact CE1-CB 3.73Å; F8-C68 HydrophobicContact CZ-CB 4.28Å
9S97.7Very high97.2Very high2 Ų245.3 Ų45.31%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-76.7164.3179.780.90000112Q11 G12 K13 S64 E100S9-Q11 PolarHBondContact O-N 2.75Å; S9-Q11 VanDerWaalsContact O-N 3.1Å; S9-Q11 PolarHBondContact OG-N 2.97Å; S9-G12 PolarHBondContact O-N 2.74Å; S9-K13 PolarHBondContact N-O 3.26Å; S9-K13 PolarHBondContact OG-N 3.04Å; S9-S64 CarbonylContact C-O 3.53Å; S9-S64 WeakPolarHBondContact CA-O 3.34Å; S9-E100 WeakPolarHBondContact CB-OE1 3.01Å
10R95.7Very high97.2Very high167 Ų16744.6 Ų44.663%0.6320%0.201SC*.THydrogen-bonded Turntrans-55.6-23.9169.9-175.9176.7174.6-178-1.5113.4G12 S64 Y66R10-G12 VanDerWaalsContact C-N 3.25Å; R10-S64 PolarHBondContact N-O 2.64Å; R10-Y66 HydrophobicContact CB-CE2 4.22Å
11Q95.2Very high97.2Very high152 Ų15244 Ų4471%0.7120%0.201SC*.THydrogen-bonded Turntrans-83.81.4176.4-61.4175.22.500112.8S9S9-Q11 PolarHBondContact O-N 2.75Å; S9-Q11 VanDerWaalsContact O-N 3.1Å; S9-Q11 PolarHBondContact OG-N 2.97Å
12G95Very high97.3Very high32 Ų3247 Ų4733%0.3323%0.233SC..SBendtrans74.629.1-176.700000113.5S9 R10 M36S9-G12 PolarHBondContact O-N 2.74Å; R10-G12 VanDerWaalsContact C-N 3.25Å; G12-M36 VanDerWaalsContact CA-CE 3.43Å; G12-M36 WeakPolarHBondContact O-CE 3.41Å
13K97.2Very high97.2Very high110 Ų11048.6 Ų48.648%0.47824%0.244SC..  trans-96.1122.4171.4-63.6-176.8177.9175.80109.7F8 S9F8-K13 CarbonylContact C-O 3.51Å; F8-K13 WeakPolarHBondContact CA-O 3.43Å; F8-K13 WeakPolarHBondContact CB-O 3.42Å; S9-K13 PolarHBondContact N-O 3.26Å; S9-K13 PolarHBondContact OG-N 3.04Å
14L98Very high97.2Very high61 Ų6147.5 Ų47.532%0.31925%0.252SS..EExtended strand (participates in β ladder)trans-69.3135.4175.6-167.770.7000110L6 F8 Q17 V32 M36L6-L14 HydrophobicContact CB-CD1 4.45Å; L6-L14 HydrophobicContact CD2-CD1 4.45Å; F8-L14 HydrophobicContact CB-CD1 4.42Å; L14-Q17 HydrophobicContact CD2-CB 4.04Å; L14-Q17 HydrophobicContact CD2-CG 3.75Å; L14-V32 HydrophobicContact CD1-CG1 3.99Å; L14-V32 HydrophobicContact CD2-CG1 4.15Å; L14-M36 HydrophobicContact CD1-SD 4.21Å
15R97.9Very high97Very high60 Ų6051.8 Ų51.823%0.22627%0.272CS..EExtended strand (participates in β ladder)trans-114.1-38.2179.1-56.2-53-177.5-172.66.2112L7 L65 E100 I103L7-R15 HydrophobicContact CB-CB 4.21Å; L7-R15 PolarHBondContact O-N 2.88Å; R15-L65 HydrophobicContact CG-CD2 3.89Å; R15-E100 IonicContact CZ-OE1 3.28Å; R15-E100 VanDerWaalsContact CZ-OE1 3.24Å; R15-E100 IonicContact NE-OE1 2.8Å; R15-E100 PolarHBondContact NE-OE1 3.02Å; R15-E100 IonicContact NH2-OE1 2.75Å; R15-E100 PolarHBondContact NH2-OE1 3.1Å; R15-I103 HydrophobicContact CB-CG2 4.29Å
16L98.2Very high96.9Very high2 Ų262 Ų621%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-145.4141.8177.9-170.3149000109.3L6 L7 K18 A110 Y111 L114L6-L16 WeakPolarHBondContact CA-O 3.34Å; L7-L16 HydrophobicContact CB-CB 3.9Å; L7-L16 HydrophobicContact CD1-CB 4.26Å; L7-L16 HydrophobicContact CD1-CD2 4.24Å; L7-L16 HydrophobicContact CD2-CB 4.08Å; L7-L16 HydrophobicContact CG-CB 4.3Å; L7-L16 PolarHBondContact N-O 3.44Å; L7-L16 PolarHBondContact O-N 3.04Å; L16-K18 HydrophobicContact CD2-CB 4.18Å; L16-A110 HydrophobicContact CD1-CB 4.15Å; L16-Y111 HydrophobicContact CD1-CD1 4.25Å; L16-Y111 HydrophobicContact CD1-CD2 4.25Å; L16-Y111 HydrophobicContact CD1-CE1 4.27Å; L16-Y111 HydrophobicContact CD1-CE2 4.25Å; L16-Y111 HydrophobicContact CD1-CG 4.24Å; L16-Y111 HydrophobicContact CD2-CE1 4.07Å; L16-Y111 HydrophobicContact CG-CD1 4.24Å; L16-Y111 HydrophobicContact CG-CD2 4.45Å; L16-Y111 HydrophobicContact CG-CE1 3.76Å; L16-Y111 HydrophobicContact CG-CE2 3.98Å; L16-L114 HydrophobicContact CD1-CD2 4.32Å; L16-L114 HydrophobicContact CD2-CD2 3.67Å
17Q98Very high96.8Very high56 Ų5665.7 Ų65.726%0.26233%0.33SS..EExtended strand (participates in β ladder)trans-140.7107.9167.850.4164.31.200110.6M5 L6 L14 Y111M5-Q17 WeakPolarHBondContact O-CA 3.17Å; L6-Q17 HydrophobicContact CD2-CB 3.65Å; L14-Q17 HydrophobicContact CD2-CB 4.04Å; L14-Q17 HydrophobicContact CD2-CG 3.75Å; Q17-Y111 PolarHBondContact N-OH 3.09Å; Q17-Y111 PolarHBondContact O-OH 3.24Å
18K98.1Very high96.8Very high48 Ų4867.6 Ų67.621%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-103.3124.5173.3-170.672.6178-165.60109F4 M5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.21Å; F4-K18 WeakPolarHBondContact CB-O 3.49Å; M5-K18 PolarHBondContact N-O 3.01Å; M5-K18 PolarHBondContact O-N 3.46Å; L16-K18 HydrophobicContact CD2-CB 4.18Å; K18-Y20 HydrophobicContact CB-CE2 4.5Å; K18-Y20 HydrophobicContact CD-CE1 4.45Å; K18-Y20 HydrophobicContact CG-CD1 4.26Å; K18-Y20 HydrophobicContact CG-CE1 3.63Å; K18-Y20 HydrophobicContact CG-CE2 4.04Å; K18-Y20 VanDerWaalsContact CG-CZ 3.5Å; K18-Y111 HydrophobicContact CD-CD1 4.34Å; K18-Y111 HydrophobicContact CD-CE1 4.45Å; K18-L114 HydrophobicContact CB-CD2 3.68Å; K18-L114 HydrophobicContact CG-CD2 4.02Å; K18-D115 WeakPolarHBondContact CE-OD1 3.49Å; K18-D115 IonicContact NZ-OD1 3.57Å; K18-D115 PolarHBondContact NZ-OD1 2.95Å; K18-D115 IonicContact NZ-OD2 2.64Å; K18-D115 PolarHBondContact NZ-OD2 2.78Å
19W98.2Very high96.7Very high34 Ų3473.4 Ų73.413%0.12936%0.364CS..EExtended strand (participates in β ladder)trans-111.3118178-64.686.3000108.7F4 T23 K28 M31 V32F4-W19 HydrophobicContact CB-CD2 3.96Å; F4-W19 HydrophobicContact CB-CE3 3.69Å; F4-W19 HydrophobicContact CB-CG 4.45Å; F4-W19 HydrophobicContact CB-CZ3 4.06Å; F4-W19 AromaticContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CE3 3.72Å; F4-W19 AromaticContact CD1-CH2 3.99Å; F4-W19 HydrophobicContact CD1-CH2 3.99Å; F4-W19 AromaticContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CD1-CZ3 3.3Å; F4-W19 HydrophobicContact CE1-CH2 4.26Å; F4-W19 AromaticContact CE1-CZ3 3.82Å; F4-W19 HydrophobicContact CE1-CZ3 3.82Å; F4-W19 HydrophobicContact CG-CD2 4.47Å; F4-W19 AromaticContact CG-CE3 3.9Å; F4-W19 HydrophobicContact CG-CE3 3.9Å; F4-W19 HydrophobicContact CG-CH2 4.15Å; F4-W19 AromaticContact CG-CZ3 3.72Å; F4-W19 HydrophobicContact CG-CZ3 3.72Å; W19-T23 HydrophobicContact CZ3-CG2 4.4Å; W19-K28 HydrophobicContact CD2-CD 3.83Å; W19-K28 HydrophobicContact CD2-CG 3.76Å; W19-K28 VanDerWaalsContact CE2-CG 3.5Å; W19-K28 HydrophobicContact CE3-CG 4.03Å; W19-K28 HydrophobicContact CG-CD 3.95Å; W19-K28 VanDerWaalsContact CG-CE 3.48Å; W19-K28 HydrophobicContact CG-CG 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.98Å; W19-K28 HydrophobicContact CH2-CG 3.89Å; W19-K28 HydrophobicContact CZ2-CB 3.48Å; W19-K28 VanDerWaalsContact CZ2-CB 3.48Å; W19-K28 HydrophobicContact CZ2-CD 4.24Å; W19-K28 HydrophobicContact CZ2-CG 3.58Å; W19-K28 HydrophobicContact CZ3-CG 4.09Å; W19-M31 HydrophobicContact CH2-CB 4.12Å; W19-M31 HydrophobicContact CH2-SD 4.24Å; W19-M31 HydrophobicContact CZ3-SD 4.21Å; W19-V32 HydrophobicContact CZ2-CG2 3.8Å
20Y97.6Very high96.7Very high31 Ų3179 Ų7912%0.12239%0.387CS..  trans-93-9.6179.3-60.2-69.5000112.4M2 R3 K18 L118 G121M2-Y20 HydrophobicContact CB-CD2 4.39Å; M2-Y20 HydrophobicContact CG-CD2 4.24Å; M2-Y20 HydrophobicContact CG-CE2 4.26Å; M2-Y20 WeakPolarHBondContact O-CB 3.37Å; M2-Y20 HydrophobicContact SD-CD2 4.37Å; M2-Y20 HydrophobicContact SD-CE2 3.8Å; R3-Y20 PolarHBondContact O-N 2.7Å; K18-Y20 HydrophobicContact CB-CE2 4.5Å; K18-Y20 HydrophobicContact CD-CE1 4.45Å; K18-Y20 HydrophobicContact CG-CD1 4.26Å; K18-Y20 HydrophobicContact CG-CE1 3.63Å; K18-Y20 HydrophobicContact CG-CE2 4.04Å; K18-Y20 VanDerWaalsContact CG-CZ 3.5Å; Y20-L118 WeakPolarHBondContact OH-CB 3.47Å; Y20-L118 WeakPolarHBondContact OH-CD1 3.43Å; Y20-G121 VanDerWaalsContact CG-CA 3.42Å; Y20-G121 VanDerWaalsContact CG-N 3.29Å
21T95.4Very high96.7Very high32 Ų3272 Ų7220%0.19636%0.363CS..SBendtrans-119.7139.7175.557.10000112M1 T23M1-T21 HydrophobicContact CE-CG2 4.07Å; M1-T21 HydrophobicContact SD-CG2 4.49Å; T21-T23 PolarHBondContact O-N 3.36Å; T21-T23 VanDerWaalsContact O-N 3.08Å; T21-T23 PolarHBondContact O-OG1 2.62Å
22A95.2Very high96.9Very high113 Ų11365.4 Ų65.493%0.93433%0.333SS*.  trans-58.4115.6175.100000110.1
23T94.3Very high97Very high40 Ų4072 Ų7225%0.24535%0.347CS..  trans-140.4137.6-176-49.30000108.2W19 T21 D27 K28 M31W19-T23 HydrophobicContact CZ3-CG2 4.4Å; T21-T23 PolarHBondContact O-N 3.36Å; T21-T23 VanDerWaalsContact O-N 3.08Å; T21-T23 PolarHBondContact O-OG1 2.62Å; T23-D27 HydrophobicContact CG2-CB 4.04Å; T23-K28 HydrophobicContact CG2-CG 3.89Å; T23-K28 WeakPolarHBondContact O-CE 3.35Å; T23-M31 HydrophobicContact CG2-SD 4.43Å
24A96.6Very high97Very high56 Ų5669.5 Ų69.546%0.46334%0.337SS..  trans-65.1142.4178.800000111.2R26 D27 K28A24-R26 PolarHBondContact O-N 3.2Å; A24-R26 VanDerWaalsContact O-N 3.17Å; A24-D27 PolarHBondContact O-N 2.97Å; A24-K28 PolarHBondContact O-N 2.78Å
25E95.8Very high97Very high92 Ų9266.6 Ų66.643%0.4332%0.322SS..Hα-helixtrans-59.2-33.4-176.2-170.956.7-151.200113D27 K28 K29E25-D27 VanDerWaalsContact C-N 3.33Å; E25-D27 PolarHBondContact O-N 2.74Å; E25-K28 WeakPolarHBondContact OE2-CD 3.48Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 2.97Å; E25-K29 VanDerWaalsContact O-N 3.1Å; E25-K29 WeakPolarHBondContact OE1-CE 3.47Å
26R96.3Very high97Very high213 Ų21364.5 Ų64.580%0.80432%0.315SS*.Hα-helixtrans-60-43.8173.5-178-178177.7-173.1-0.7111.7A24 K30A24-R26 PolarHBondContact O-N 3.2Å; A24-R26 VanDerWaalsContact O-N 3.17Å; R26-K30 PolarHBondContact O-N 3.08Å
27D96.1Very high96.9Very high78 Ų7871.3 Ų71.342%0.41735%0.347SS..Hα-helixtrans-74.5-40.8-177.8-63.8-37.2000110.7T23 A24 E25 K29 K30 M31T23-D27 HydrophobicContact CG2-CB 4.04Å; A24-D27 PolarHBondContact O-N 2.97Å; E25-D27 VanDerWaalsContact C-N 3.33Å; E25-D27 PolarHBondContact O-N 2.74Å; D27-K29 VanDerWaalsContact C-N 3.33Å; D27-K29 PolarHBondContact O-N 3.43Å; D27-K30 WeakPolarHBondContact O-CB 3.41Å; D27-K30 PolarHBondContact O-N 2.84Å; D27-M31 WeakPolarHBondContact O-CB 3.35Å; D27-M31 VanDerWaalsContact O-CG 3.24Å; D27-M31 WeakPolarHBondContact O-CG 3.45Å; D27-M31 PolarHBondContact O-N 3.4Å
28K97.3Very high96.9Very high40 Ų4071.6 Ų71.617%0.17435%0.35CS..Hα-helixtrans-51.2-52.1171.8-67.4-178.2173.8174.80111.5W19 T23 A24 E25 K30 M31 V32W19-K28 HydrophobicContact CD2-CD 3.83Å; W19-K28 HydrophobicContact CD2-CG 3.76Å; W19-K28 VanDerWaalsContact CE2-CG 3.5Å; W19-K28 HydrophobicContact CE3-CG 4.03Å; W19-K28 HydrophobicContact CG-CD 3.95Å; W19-K28 VanDerWaalsContact CG-CE 3.48Å; W19-K28 HydrophobicContact CG-CG 4.4Å; W19-K28 HydrophobicContact CH2-CB 3.98Å; W19-K28 HydrophobicContact CH2-CG 3.89Å; W19-K28 HydrophobicContact CZ2-CB 3.48Å; W19-K28 VanDerWaalsContact CZ2-CB 3.48Å; W19-K28 HydrophobicContact CZ2-CD 4.24Å; W19-K28 HydrophobicContact CZ2-CG 3.58Å; W19-K28 HydrophobicContact CZ3-CG 4.09Å; T23-K28 HydrophobicContact CG2-CG 3.89Å; T23-K28 WeakPolarHBondContact O-CE 3.35Å; A24-K28 PolarHBondContact O-N 2.78Å; E25-K28 WeakPolarHBondContact OE2-CD 3.48Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.47Å; K28-M31 PolarHBondContact O-N 3.46Å; K28-V32 WeakPolarHBondContact O-CB 3.33Å; K28-V32 VanDerWaalsContact O-CG2 3.27Å; K28-V32 WeakPolarHBondContact O-CG2 3.43Å; K28-V32 PolarHBondContact O-N 2.97Å
29K96.6Very high96.9Very high123 Ų12369.3 Ų69.354%0.53534%0.34SS..Hα-helixtrans-62.2-31178.1-72.2176.8-178.31770113.7E25 D27 R33E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 2.97Å; E25-K29 VanDerWaalsContact O-N 3.1Å; E25-K29 WeakPolarHBondContact OE1-CE 3.47Å; D27-K29 VanDerWaalsContact C-N 3.33Å; D27-K29 PolarHBondContact O-N 3.43Å; K29-R33 WeakPolarHBondContact O-CG 3.44Å; K29-R33 PolarHBondContact O-N 3.06Å; K29-R33 PolarHBondContact O-NE 2.98Å; K29-R33 VanDerWaalsContact O-NE 3.1Å
30K97.1Very high96.9Very high118 Ų11870.2 Ų70.251%0.51335%0.347SS..Hα-helixtrans-72.5-50.1175.2-175.3-177.7175-173.40110.4R26 D27 K28 R33 E34R26-K30 PolarHBondContact O-N 3.08Å; D27-K30 WeakPolarHBondContact O-CB 3.41Å; D27-K30 PolarHBondContact O-N 2.84Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.47Å; K30-R33 PolarHBondContact O-N 2.89Å; K30-E34 WeakPolarHBondContact O-CB 3.4Å; K30-E34 PolarHBondContact O-N 2.92Å
31M97.3Very high96.9Very high22 Ų2272.9 Ų72.911%0.10838%0.375CS..Hα-helixtrans-62-44.3-178.4-66.4174.980.500111.9F4 W19 T23 D27 K28 E34 L35 W52F4-M31 HydrophobicContact CE1-CE 3.69Å; F4-M31 HydrophobicContact CZ-CE 4.23Å; W19-M31 HydrophobicContact CH2-CB 4.12Å; W19-M31 HydrophobicContact CH2-SD 4.24Å; W19-M31 HydrophobicContact CZ3-SD 4.21Å; T23-M31 HydrophobicContact CG2-SD 4.43Å; D27-M31 WeakPolarHBondContact O-CB 3.35Å; D27-M31 VanDerWaalsContact O-CG 3.24Å; D27-M31 WeakPolarHBondContact O-CG 3.45Å; D27-M31 PolarHBondContact O-N 3.4Å; K28-M31 PolarHBondContact O-N 3.46Å; M31-E34 PolarHBondContact O-N 3.46Å; M31-L35 WeakPolarHBondContact O-CB 3.47Å; M31-L35 PolarHBondContact O-N 3.08Å; M31-W52 HydrophobicContact CB-CH2 3.87Å; M31-W52 HydrophobicContact CB-CZ2 4.42Å; M31-W52 HydrophobicContact CE-CH2 3.34Å; M31-W52 HydrophobicContact CE-CZ3 3.51Å; M31-W52 HydrophobicContact CG-CH2 3.73Å; M31-W52 HydrophobicContact CG-CZ2 4.35Å; M31-W52 HydrophobicContact SD-CH2 4.35Å
32V98Very high96.9Very high13 Ų1374 Ų748%0.07938%0.376CS..Hα-helixtrans-59.1-50.4176.9169.60000111.1L6 L14 W19 K28 E34 M36L6-V32 HydrophobicContact CD1-CG2 4.05Å; L6-V32 HydrophobicContact CD2-CG2 3.9Å; L14-V32 HydrophobicContact CD1-CG1 3.99Å; L14-V32 HydrophobicContact CD2-CG1 4.15Å; W19-V32 HydrophobicContact CZ2-CG2 3.8Å; K28-V32 WeakPolarHBondContact O-CB 3.33Å; K28-V32 VanDerWaalsContact O-CG2 3.27Å; K28-V32 WeakPolarHBondContact O-CG2 3.43Å; K28-V32 PolarHBondContact O-N 2.97Å; V32-E34 PolarHBondContact O-N 3.19Å; V32-M36 HydrophobicContact CG1-CG 4.32Å; V32-M36 HydrophobicContact CG1-SD 3.42Å; V32-M36 WeakPolarHBondContact CG1-SD 3.23Å; V32-M36 VanDerWaalsContact O-CB 3.27Å; V32-M36 WeakPolarHBondContact O-CB 3.37Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 2.91Å
33R97.4Very high96.9Very high169 Ų16976.2 Ų76.264%0.63837%0.365SS*.Hα-helixtrans-61-46179.7-76.8-174.1-68.6160.4-2.5112.1K29 K30 Q37K29-R33 WeakPolarHBondContact O-CG 3.44Å; K29-R33 PolarHBondContact O-N 3.06Å; K29-R33 PolarHBondContact O-NE 2.98Å; K29-R33 VanDerWaalsContact O-NE 3.1Å; K30-R33 PolarHBondContact O-N 2.89Å; R33-Q37 WeakPolarHBondContact O-CB 3.36Å; R33-Q37 VanDerWaalsContact O-CG 3.29Å; R33-Q37 WeakPolarHBondContact O-CG 3.37Å; R33-Q37 PolarHBondContact O-N 3.26Å; R33-Q37 VanDerWaalsContact O-N 3.09Å
34E97.2Very high96.7Very high58 Ų5880.4 Ų80.427%0.27139%0.392SS..Hα-helixtrans-61.2-52.3179.8-174.1-176.6159.800111.6K30 M31 V32 M36 Q37 I38 W52 R53K30-E34 WeakPolarHBondContact O-CB 3.4Å; K30-E34 PolarHBondContact O-N 2.92Å; M31-E34 PolarHBondContact O-N 3.46Å; V32-E34 PolarHBondContact O-N 3.19Å; E34-M36 PolarHBondContact O-N 3.46Å; E34-Q37 PolarHBondContact O-N 3.14Å; E34-I38 HydrophobicContact CG-CD1 4.08Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.3Å; E34-W52 HydrophobicContact CG-CZ2 4.47Å; E34-W52 PolarHBondContact OE1-NE1 2.95Å; E34-R53 IonicContact OE1-NH2 3.24Å; E34-R53 IonicContact OE2-CZ 3.49Å; E34-R53 IonicContact OE2-NH2 2.74Å; E34-R53 PolarHBondContact OE2-NH2 3.35Å
35L97.6Very high96.5Very high0 Ų087.8 Ų87.80%041%0.414CS..Hα-helixtrans-66.4-39.5-178.8-80.5174.1000112.9F4 M31 Q37 I38 V39 W52 I57F4-L35 HydrophobicContact CE2-CD1 3.57Å; F4-L35 HydrophobicContact CZ-CD1 3.45Å; F4-L35 VanDerWaalsContact CZ-CD1 3.45Å; M31-L35 WeakPolarHBondContact O-CB 3.47Å; M31-L35 PolarHBondContact O-N 3.08Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.4Å; L35-I38 PolarHBondContact O-N 3.22Å; L35-V39 WeakPolarHBondContact O-CB 3.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.28Å; L35-W52 HydrophobicContact CD1-CD2 4.38Å; L35-W52 HydrophobicContact CD1-CE3 4.14Å; L35-W52 HydrophobicContact CD1-CH2 3.9Å; L35-W52 HydrophobicContact CD1-CZ2 4.23Å; L35-W52 HydrophobicContact CD1-CZ3 3.89Å; L35-W52 HydrophobicContact CD2-CB 4.3Å; L35-W52 HydrophobicContact CD2-CD2 3.64Å; L35-W52 HydrophobicContact CD2-CE3 4.12Å; L35-W52 HydrophobicContact CD2-CG 3.74Å; L35-W52 HydrophobicContact CD2-CZ2 4.34Å; L35-W52 HydrophobicContact CG-CD2 4.1Å; L35-W52 HydrophobicContact CG-CE3 4.37Å; L35-W52 HydrophobicContact CG-CH2 4.11Å; L35-W52 HydrophobicContact CG-CZ2 3.91Å; L35-W52 HydrophobicContact CG-CZ3 4.37Å; L35-I57 HydrophobicContact CD1-CD1 4.07Å; L35-I57 HydrophobicContact CD2-CD1 4.01Å; L35-I57 HydrophobicContact CD2-CG1 3.79Å; L35-I57 HydrophobicContact CD2-CG2 4.43Å
36M98Very high96.6Very high17 Ų1787.6 Ų87.68%0.08441%0.414CS..Hα-helixtrans-61.2-43175.5-73.1174.660.900111.2F8 G12 L14 V32 E34 L40F8-M36 HydrophobicContact CB-CE 3.58Å; F8-M36 HydrophobicContact CB-CG 4.31Å; F8-M36 HydrophobicContact CB-SD 4.03Å; F8-M36 HydrophobicContact CD1-CG 3.63Å; F8-M36 HydrophobicContact CD1-SD 4.25Å; F8-M36 HydrophobicContact CD2-CB 4.47Å; F8-M36 HydrophobicContact CD2-CE 4.11Å; F8-M36 HydrophobicContact CD2-CG 3.93Å; F8-M36 HydrophobicContact CE1-CG 3.82Å; F8-M36 HydrophobicContact CE2-CB 4.41Å; F8-M36 HydrophobicContact CE2-CG 4.1Å; F8-M36 HydrophobicContact CG-CE 3.88Å; F8-M36 HydrophobicContact CG-CG 3.69Å; F8-M36 HydrophobicContact CG-SD 4.07Å; F8-M36 HydrophobicContact CZ-CG 4.05Å; G12-M36 VanDerWaalsContact CA-CE 3.43Å; G12-M36 WeakPolarHBondContact O-CE 3.41Å; L14-M36 HydrophobicContact CD1-SD 4.21Å; V32-M36 HydrophobicContact CG1-CG 4.32Å; V32-M36 HydrophobicContact CG1-SD 3.42Å; V32-M36 WeakPolarHBondContact CG1-SD 3.23Å; V32-M36 VanDerWaalsContact O-CB 3.27Å; V32-M36 WeakPolarHBondContact O-CB 3.37Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 2.91Å; E34-M36 PolarHBondContact O-N 3.46Å; M36-L40 VanDerWaalsContact O-CB 3.22Å; M36-L40 WeakPolarHBondContact O-CB 3.38Å; M36-L40 WeakPolarHBondContact O-CD1 3.35Å; M36-L40 WeakPolarHBondContact O-CG 3.26Å; M36-L40 PolarHBondContact O-N 2.86Å
37Q97.6Very high96.6Very high145 Ų14580.8 Ų80.868%0.67840%0.399SS*.Hα-helixtrans-61.6-46.1175.6-75.7177.8-20.600111.9R33 E34 L35 A41R33-Q37 WeakPolarHBondContact O-CB 3.36Å; R33-Q37 VanDerWaalsContact O-CG 3.29Å; R33-Q37 WeakPolarHBondContact O-CG 3.37Å; R33-Q37 PolarHBondContact O-N 3.26Å; R33-Q37 VanDerWaalsContact O-N 3.09Å; E34-Q37 PolarHBondContact O-N 3.14Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 3.4Å; Q37-A41 WeakPolarHBondContact O-CB 3.34Å; Q37-A41 PolarHBondContact O-N 2.78Å; Q37-A41 VanDerWaalsContact O-N 3.14Å
38I97.6Very high96.7Very high61 Ų6178.3 Ų78.331%0.31339%0.387SS..Hα-helixtrans-60.3-51.5178.5-68.4166.5000110.6E34 L35 A41 R42 L50E34-I38 HydrophobicContact CG-CD1 4.08Å; E34-I38 WeakPolarHBondContact O-CG1 3.28Å; E34-I38 PolarHBondContact O-N 3.3Å; L35-I38 PolarHBondContact O-N 3.22Å; I38-A41 PolarHBondContact O-N 2.94Å; I38-R42 WeakPolarHBondContact O-CG 3.33Å; I38-L50 HydrophobicContact CG2-CD1 4.38Å
39V97.8Very high96.7Very high1 Ų179.2 Ų79.21%0.00639%0.391CS..Hα-helixtrans-66.4-42.6-176172.60000111.5F8 L35 A41 R42 L50 Y59 Y66F8-V39 HydrophobicContact CE2-CB 4.36Å; F8-V39 HydrophobicContact CE2-CG1 4.16Å; F8-V39 HydrophobicContact CZ-CB 3.92Å; F8-V39 HydrophobicContact CZ-CG1 3.84Å; F8-V39 HydrophobicContact CZ-CG2 4.4Å; L35-V39 WeakPolarHBondContact O-CB 3.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.28Å; V39-A41 VanDerWaalsContact C-N 3.29Å; V39-A41 PolarHBondContact O-N 3.03Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 3.37Å; V39-L50 HydrophobicContact CG2-CD2 4.38Å; V39-Y59 HydrophobicContact CG1-CD2 3.57Å; V39-Y59 HydrophobicContact CG1-CE2 3.96Å; V39-Y59 HydrophobicContact CG1-CG 3.92Å; V39-Y59 HydrophobicContact CG2-CD1 4.43Å; V39-Y59 HydrophobicContact CG2-CG 4.32Å; V39-Y66 HydrophobicContact CG1-CD1 3.57Å; V39-Y66 HydrophobicContact CG1-CE1 3.99Å; V39-Y66 HydrophobicContact CG1-CG 4.34Å
40L97.4Very high96.7Very high53 Ų5374.3 Ų74.328%0.27737%0.371SS..Hα-helixtrans-68.8-25.5-179.5-69.2172.3000113.3F8 M36 R42 Y66F8-L40 HydrophobicContact CD2-CD2 4.38Å; F8-L40 HydrophobicContact CD2-CG 4.46Å; F8-L40 HydrophobicContact CE2-CD2 4.14Å; F8-L40 HydrophobicContact CE2-CG 4.07Å; M36-L40 VanDerWaalsContact O-CB 3.22Å; M36-L40 WeakPolarHBondContact O-CB 3.38Å; M36-L40 WeakPolarHBondContact O-CD1 3.35Å; M36-L40 WeakPolarHBondContact O-CG 3.26Å; M36-L40 PolarHBondContact O-N 2.86Å; L40-R42 VanDerWaalsContact C-N 3.27Å; L40-R42 PolarHBondContact O-N 3.18Å; L40-Y66 HydrophobicContact CD2-CD2 3.88Å; L40-Y66 HydrophobicContact CD2-CE2 3.54Å
41A97.2Very high96.7Very high87 Ų8777 Ų7772%0.71939%0.385SS*.THydrogen-bonded Turntrans-76.2-11.7176.400000113.7Q37 I38 V39Q37-A41 WeakPolarHBondContact O-CB 3.34Å; Q37-A41 PolarHBondContact O-N 2.78Å; Q37-A41 VanDerWaalsContact O-N 3.14Å; I38-A41 PolarHBondContact O-N 2.94Å; V39-A41 VanDerWaalsContact C-N 3.29Å; V39-A41 PolarHBondContact O-N 3.03Å
42R96.9Very high96.6Very high56 Ų5676.7 Ų76.721%0.21138%0.383CS..SBendtrans-79144.9-175.3-67.6174.272.987.6-8.3112.6I38 V39 L40 M46 C47 Y59I38-R42 WeakPolarHBondContact O-CG 3.33Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 3.37Å; L40-R42 VanDerWaalsContact C-N 3.27Å; L40-R42 PolarHBondContact O-N 3.18Å; R42-M46 HydrophobicContact CB-SD 3.89Å; R42-M46 HydrophobicContact CG-SD 4.12Å; R42-C47 PolarHBondContact NH2-O 3.21Å; R42-Y59 WeakPolarHBondContact CD-OH 3.44Å; R42-Y59 PolarHBondContact NE-OH 3.13Å
43K95.2Very high96.4Very high159 Ų15982 Ų8269%0.69140%0.402SS*.  trans-77.5149.7176.3-62179.1-177.1175.90110.8K45 M46K43-K45 PolarHBondContact O-N 3.02Å; K43-M46 HydrophobicContact CB-CG 4.09Å; K43-M46 HydrophobicContact CB-SD 4.23Å; K43-M46 PolarHBondContact N-SD 3.22Å; K43-M46 VanDerWaalsContact N-SD 3.4Å; K43-M46 WeakPolarHBondContact O-CB 3.15Å; K43-M46 WeakPolarHBondContact O-CG 3.1Å; K43-M46 PolarHBondContact O-N 3.47Å
44P90.4Very high96.2Very high128 Ų12881.3 Ų81.383%0.83141%0.41SS*.THydrogen-bonded Turntrans-58.3-24.2-174.4-28.635.7000117.1
45K92.3Very high96.2Very high211 Ų21179.8 Ų79.892%0.91740%0.404SS*.THydrogen-bonded Turntrans-93.22.8-180-64.5-172.9177.3-1760113.8K43K43-K45 PolarHBondContact O-N 3.02Å
46M96.4Very high96.3Very high88 Ų8881.9 Ų81.943%0.43341%0.413SS..SBendtrans-73.6158.3177.2-65.6-174.776.300110.9R42 K43R42-M46 HydrophobicContact CB-SD 3.89Å; R42-M46 HydrophobicContact CG-SD 4.12Å; K43-M46 HydrophobicContact CB-CG 4.09Å; K43-M46 HydrophobicContact CB-SD 4.23Å; K43-M46 PolarHBondContact N-SD 3.22Å; K43-M46 VanDerWaalsContact N-SD 3.4Å; K43-M46 WeakPolarHBondContact O-CB 3.15Å; K43-M46 WeakPolarHBondContact O-CG 3.1Å; K43-M46 PolarHBondContact O-N 3.47Å
47C96.9Very high96.3Very high70 Ų7081.1 Ų81.147%0.47341%0.409SS..  trans-56.3140.7176.3-1710000111.2R42 F49 Y59R42-C47 PolarHBondContact NH2-O 3.21Å; C47-F49 PolarHBondContact O-N 3.16Å; C47-F49 WeakPolarHBondContact SG-CD2 3.41Å; C47-F49 PolarHBondContact SG-N 3.36Å; C47-F49 VanDerWaalsContact SG-N 3.37Å; C47-Y59 WeakPolarHBondContact O-CE1 3.46Å; C47-Y59 PolarHBondContact O-OH 2.97Å
48S97.6Very high96.3Very high25 Ų2574.2 Ų74.218%0.17538%0.377CS..SBendtrans-69.6-6.4172.6-88.50000113.6Y59S48-Y59 VanDerWaalsContact CB-O 3.23Å; S48-Y59 WeakPolarHBondContact CB-O 3.49Å; S48-Y59 VanDerWaalsContact O-CD1 3.23Å; S48-Y59 WeakPolarHBondContact O-CD1 3.34Å; S48-Y59 PolarHBondContact O-N 3.48Å; S48-Y59 PolarHBondContact OG-O 3.24Å
49F98.1Very high96.4Very high59 Ų5972.1 Ų72.126%0.25937%0.365SS..EExtended strand (participates in β ladder)trans-114.1145.1-179.7-39.5-49000109.8C47 I57 V58 E77 L78 L81C47-F49 PolarHBondContact O-N 3.16Å; C47-F49 WeakPolarHBondContact SG-CD2 3.41Å; C47-F49 PolarHBondContact SG-N 3.36Å; C47-F49 VanDerWaalsContact SG-N 3.37Å; F49-I57 WeakPolarHBondContact CA-O 3.06Å; F49-V58 HydrophobicContact CD1-CB 4.32Å; F49-V58 HydrophobicContact CD1-CG1 3.95Å; F49-V58 HydrophobicContact CD1-CG2 3.95Å; F49-V58 HydrophobicContact CE1-CG1 3.84Å; F49-V58 HydrophobicContact CE1-CG2 4.4Å; F49-E77 HydrophobicContact CB-CG 4.49Å; F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.22Å; F49-E77 HydrophobicContact CD2-CB 4.18Å; F49-E77 HydrophobicContact CE1-CB 3.63Å; F49-E77 HydrophobicContact CE2-CB 4.21Å; F49-E77 HydrophobicContact CG-CB 3.89Å; F49-E77 HydrophobicContact CG-CG 4.17Å; F49-E77 HydrophobicContact CZ-CB 3.96Å; F49-L78 HydrophobicContact CE2-CD2 4.2Å; F49-L78 HydrophobicContact CZ-CD2 3.82Å; F49-L81 HydrophobicContact CE1-CB 4.45Å; F49-L81 HydrophobicContact CE1-CD2 4.37Å; F49-L81 HydrophobicContact CZ-CD2 4.31Å
50L96.4Very high96.4Very high21 Ų2176 Ų7611%0.1138%0.382CS..EExtended strand (participates in β ladder)trans-150.1145.1173.860.2110.8000109.5I38 V39 W52 I57 Y59I38-L50 HydrophobicContact CG2-CD1 4.38Å; V39-L50 HydrophobicContact CG2-CD2 4.38Å; L50-W52 HydrophobicContact CD1-CB 3.86Å; L50-I57 HydrophobicContact CD1-CB 3.66Å; L50-I57 HydrophobicContact CD1-CG1 3.63Å; L50-I57 HydrophobicContact CD1-CG2 4.43Å; L50-I57 HydrophobicContact CD2-CB 4.1Å; L50-I57 HydrophobicContact CD2-CG2 4.3Å; L50-I57 HydrophobicContact CG-CB 3.68Å; L50-I57 HydrophobicContact CG-CG1 4.21Å; L50-I57 HydrophobicContact CG-CG2 4.41Å; L50-I57 PolarHBondContact N-O 3.15Å; L50-I57 PolarHBondContact O-N 2.99Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CE1 3.72Å
51E96.8Very high96.4Very high175 Ų17578.3 Ų78.382%0.81839%0.387SS*.EExtended strand (participates in β ladder)trans-82.6132.8168.7-67.2172.6-175.700108.5
52W96.8Very high96.4Very high14 Ų1477.1 Ų77.15%0.05336%0.364CS..EExtended strand (participates in β ladder)trans-144.8110.4176.7176.177.4000109.3F4 M31 E34 L35 L50 L55 I57F4-W52 HydrophobicContact CZ-CZ3 4.15Å; M31-W52 HydrophobicContact CB-CH2 3.87Å; M31-W52 HydrophobicContact CB-CZ2 4.42Å; M31-W52 HydrophobicContact CE-CH2 3.34Å; M31-W52 HydrophobicContact CE-CZ3 3.51Å; M31-W52 HydrophobicContact CG-CH2 3.73Å; M31-W52 HydrophobicContact CG-CZ2 4.35Å; M31-W52 HydrophobicContact SD-CH2 4.35Å; E34-W52 HydrophobicContact CG-CZ2 4.47Å; E34-W52 PolarHBondContact OE1-NE1 2.95Å; L35-W52 HydrophobicContact CD1-CD2 4.38Å; L35-W52 HydrophobicContact CD1-CE3 4.14Å; L35-W52 HydrophobicContact CD1-CH2 3.9Å; L35-W52 HydrophobicContact CD1-CZ2 4.23Å; L35-W52 HydrophobicContact CD1-CZ3 3.89Å; L35-W52 HydrophobicContact CD2-CB 4.3Å; L35-W52 HydrophobicContact CD2-CD2 3.64Å; L35-W52 HydrophobicContact CD2-CE3 4.12Å; L35-W52 HydrophobicContact CD2-CG 3.74Å; L35-W52 HydrophobicContact CD2-CZ2 4.34Å; L35-W52 HydrophobicContact CG-CD2 4.1Å; L35-W52 HydrophobicContact CG-CE3 4.37Å; L35-W52 HydrophobicContact CG-CH2 4.11Å; L35-W52 HydrophobicContact CG-CZ2 3.91Å; L35-W52 HydrophobicContact CG-CZ3 4.37Å; L50-W52 HydrophobicContact CD1-CB 3.86Å; W52-L55 HydrophobicContact CZ3-CD1 4.3Å; W52-L55 PolarHBondContact N-O 3.15Å; W52-L55 PolarHBondContact O-N 3.46Å; W52-L55 VanDerWaalsContact O-O 3.14Å; W52-I57 HydrophobicContact CB-CD1 4.27Å; W52-I57 HydrophobicContact CB-CG1 3.64Å; W52-I57 HydrophobicContact CD2-CD1 4.46Å; W52-I57 HydrophobicContact CE3-CD1 3.85Å; W52-I57 HydrophobicContact CE3-CG1 4.44Å; W52-I57 HydrophobicContact CG-CG1 4.36Å
53R92.6Very high96.3Very high126 Ų12678.7 Ų78.748%0.47539%0.389SS..THydrogen-bonded Turntrans55.7-141.3-168.7-48.9176.6-179.4-178.14108.6E34 L55E34-R53 IonicContact OE1-NH2 3.24Å; E34-R53 IonicContact OE2-CZ 3.49Å; E34-R53 IonicContact OE2-NH2 2.74Å; E34-R53 PolarHBondContact OE2-NH2 3.35Å; R53-L55 PolarHBondContact O-N 3.17Å
54D94.3Very high96.2Very high154 Ų15473.1 Ų73.182%0.82437%0.37SS*.THydrogen-bonded Turntrans-86.726.6178.1-44.4-55.7000112.6
55L97.3Very high96.5Very high26 Ų2667.5 Ų67.514%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-129.8155.3-179-62.2175000111.1R3 W52 R53 A70 E72R3-L55 HydrophobicContact CG-CD1 4.08Å; R3-L55 HydrophobicContact CG-CD2 3.85Å; W52-L55 HydrophobicContact CZ3-CD1 4.3Å; W52-L55 PolarHBondContact N-O 3.15Å; W52-L55 PolarHBondContact O-N 3.46Å; W52-L55 VanDerWaalsContact O-O 3.14Å; R53-L55 PolarHBondContact O-N 3.17Å; L55-A70 HydrophobicContact CD1-CB 4.23Å; L55-E72 HydrophobicContact CD2-CG 4.47Å
56K98.2Very high96.8Very high44 Ų4458.5 Ų58.519%0.19129%0.294CS..EExtended strand (participates in β ladder)trans-98.7132.5169.2-66.6170.8170.4-173.70108.7A70 I71 E73 E77K56-A70 WeakPolarHBondContact O-CA 3.23Å; K56-I71 HydrophobicContact CB-CD1 4.36Å; K56-I71 HydrophobicContact CB-CG1 3.77Å; K56-I71 PolarHBondContact N-O 3.42Å; K56-I71 PolarHBondContact O-N 2.85Å; K56-E73 WeakPolarHBondContact CE-O 3.45Å; K56-E73 PolarHBondContact NZ-O 3.34Å; K56-E77 HydrophobicContact CD-CG 4.23Å; K56-E77 WeakPolarHBondContact CD-OE1 3.47Å; K56-E77 WeakPolarHBondContact CE-OE1 3.26Å; K56-E77 IonicContact NZ-OE1 3.9Å; K56-E77 PolarHBondContact NZ-OE1 2.93Å
57I98.4Very high96.9Very high0 Ų054.6 Ų54.60%027%0.274CS..EExtended strand (participates in β ladder)trans-107.7126.6174.8-43.8-65.5000108.9L35 F49 L50 W52 C68 C69 A70L35-I57 HydrophobicContact CD1-CD1 4.07Å; L35-I57 HydrophobicContact CD2-CD1 4.01Å; L35-I57 HydrophobicContact CD2-CG1 3.79Å; L35-I57 HydrophobicContact CD2-CG2 4.43Å; F49-I57 WeakPolarHBondContact CA-O 3.06Å; L50-I57 HydrophobicContact CD1-CB 3.66Å; L50-I57 HydrophobicContact CD1-CG1 3.63Å; L50-I57 HydrophobicContact CD1-CG2 4.43Å; L50-I57 HydrophobicContact CD2-CB 4.1Å; L50-I57 HydrophobicContact CD2-CG2 4.3Å; L50-I57 HydrophobicContact CG-CB 3.68Å; L50-I57 HydrophobicContact CG-CG1 4.21Å; L50-I57 HydrophobicContact CG-CG2 4.41Å; L50-I57 PolarHBondContact N-O 3.15Å; L50-I57 PolarHBondContact O-N 2.99Å; W52-I57 HydrophobicContact CB-CD1 4.27Å; W52-I57 HydrophobicContact CB-CG1 3.64Å; W52-I57 HydrophobicContact CD2-CD1 4.46Å; W52-I57 HydrophobicContact CE3-CD1 3.85Å; W52-I57 HydrophobicContact CE3-CG1 4.44Å; W52-I57 HydrophobicContact CG-CG1 4.36Å; I57-C68 WeakPolarHBondContact CG2-SG 3.36Å; I57-C69 CarbonylContact C-O 3.53Å; I57-C69 WeakPolarHBondContact CA-O 3.49Å; I57-A70 HydrophobicContact CD1-CB 3.44Å; I57-A70 VanDerWaalsContact CD1-CB 3.44Å
58V98.7Very high97Very high0 Ų051.2 Ų51.20%025%0.252CS..EExtended strand (participates in β ladder)trans-111121.7176.4-178.40000107.7F49 C68 C69 I71 E77 T80 L81 I84F49-V58 HydrophobicContact CD1-CB 4.32Å; F49-V58 HydrophobicContact CD1-CG1 3.95Å; F49-V58 HydrophobicContact CD1-CG2 3.95Å; F49-V58 HydrophobicContact CE1-CG1 3.84Å; F49-V58 HydrophobicContact CE1-CG2 4.4Å; V58-C68 CarbonylContact O-C 3.59Å; V58-C68 WeakPolarHBondContact O-CA 3.28Å; V58-C69 PolarHBondContact N-O 3.03Å; V58-C69 PolarHBondContact O-N 3.41Å; V58-I71 HydrophobicContact CG2-CD1 3.72Å; V58-I71 HydrophobicContact CG2-CG1 4.37Å; V58-E77 HydrophobicContact CG2-CB 3.97Å; V58-E77 HydrophobicContact CG2-CG 4.25Å; V58-T80 HydrophobicContact CB-CG2 3.78Å; V58-T80 HydrophobicContact CG1-CG2 4.05Å; V58-T80 HydrophobicContact CG2-CG2 3.91Å; V58-L81 HydrophobicContact CG1-CB 4.1Å; V58-L81 HydrophobicContact CG1-CD1 3.87Å; V58-I84 HydrophobicContact CG1-CD1 4.1Å
59Y98.5Very high97Very high17 Ų1750 Ų507%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-134.3147.7179.180.2-81.5000113.1V39 R42 C47 S48 L50 Y66 F67V39-Y59 HydrophobicContact CG1-CD2 3.57Å; V39-Y59 HydrophobicContact CG1-CE2 3.96Å; V39-Y59 HydrophobicContact CG1-CG 3.92Å; V39-Y59 HydrophobicContact CG2-CD1 4.43Å; V39-Y59 HydrophobicContact CG2-CG 4.32Å; R42-Y59 WeakPolarHBondContact CD-OH 3.44Å; R42-Y59 PolarHBondContact NE-OH 3.13Å; C47-Y59 WeakPolarHBondContact O-CE1 3.46Å; C47-Y59 PolarHBondContact O-OH 2.97Å; S48-Y59 VanDerWaalsContact CB-O 3.23Å; S48-Y59 WeakPolarHBondContact CB-O 3.49Å; S48-Y59 VanDerWaalsContact O-CD1 3.23Å; S48-Y59 WeakPolarHBondContact O-CD1 3.34Å; S48-Y59 PolarHBondContact O-N 3.48Å; S48-Y59 PolarHBondContact OG-O 3.24Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CE1 3.72Å; Y59-Y66 HydrophobicContact CD2-CD1 4.22Å; Y59-F67 CarbonylContact C-O 3.57Å; Y59-F67 WeakPolarHBondContact CA-O 3.43Å; Y59-F67 WeakPolarHBondContact CB-O 3.43Å
60K98.1Very high97.1Very high82 Ų8247.2 Ų47.236%0.35723%0.231SC..EExtended strand (participates in β ladder)trans-141140.3174.4-168.265.9171.1-166.70110.1Y62 F67 L81 I84K60-Y62 HydrophobicContact CB-CD2 4.37Å; K60-Y62 HydrophobicContact CB-CE2 3.78Å; K60-Y62 HydrophobicContact CG-CD2 3.98Å; K60-Y62 HydrophobicContact CG-CE2 3.31Å; K60-F67 PolarHBondContact N-O 2.82Å; K60-F67 PolarHBondContact O-N 3.37Å; K60-L81 HydrophobicContact CB-CD1 3.93Å; K60-L81 HydrophobicContact CD-CD1 4.32Å; K60-L81 HydrophobicContact CG-CD1 4.42Å; K60-I84 HydrophobicContact CB-CG2 4.16Å
61R97.6Very high97.1Very high102 Ų10246.3 Ų46.339%0.38523%0.226SC..EExtended strand (participates in β ladder)trans-99.2126.9174.6-174.7-173.1168.9-158.5-12.9109.9A63 L65 Y66R61-A63 VanDerWaalsContact CZ-O 3.28Å; R61-A63 PolarHBondContact NE-O 2.92Å; R61-A63 PolarHBondContact NH2-O 3.02Å; R61-L65 CarbonylContact C-O 3.6Å; R61-L65 VanDerWaalsContact CA-O 3.32Å; R61-L65 WeakPolarHBondContact CA-O 3.47Å; R61-L65 WeakPolarHBondContact CG-O 3.46Å; R61-Y66 HydrophobicContact CB-CD1 4.04Å; R61-Y66 HydrophobicContact CB-CE1 3.91Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CD2 4.43Å; R61-Y66 HydrophobicContact CG-CE1 4.08Å; R61-Y66 HydrophobicContact CG-CE2 4.16Å
62Y96.9Very high97.2Very high62 Ų6239.6 Ų39.624%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-119.5116169.6-68.3-93.4000108.1K60 S64 L65 F67 I84 H85 V88K60-Y62 HydrophobicContact CB-CD2 4.37Å; K60-Y62 HydrophobicContact CB-CE2 3.78Å; K60-Y62 HydrophobicContact CG-CD2 3.98Å; K60-Y62 HydrophobicContact CG-CE2 3.31Å; Y62-S64 PolarHBondContact O-N 2.8Å; Y62-S64 VanDerWaalsContact O-N 3.08Å; Y62-L65 PolarHBondContact N-O 2.98Å; Y62-L65 PolarHBondContact O-N 2.86Å; Y62-F67 AromaticContact CD2-CD2 3.83Å; Y62-F67 HydrophobicContact CD2-CD2 3.83Å; Y62-F67 HydrophobicContact CD2-CE2 4.14Å; Y62-I84 HydrophobicContact CE2-CG2 3.93Å; Y62-H85 AromaticContact CE1-ND1 3.83Å; Y62-H85 AromaticContact CZ-ND1 3.77Å; Y62-H85 WeakPolarHBondContact OH-CB 3.34Å; Y62-H85 PolarHBondContact OH-ND1 3.41Å; Y62-H85 VanDerWaalsContact OH-ND1 3.08Å; Y62-V88 HydrophobicContact CD1-CG1 4.01Å; Y62-V88 HydrophobicContact CD1-CG2 4.46Å; Y62-V88 HydrophobicContact CD2-CG2 3.8Å; Y62-V88 HydrophobicContact CE1-CG1 4.22Å; Y62-V88 HydrophobicContact CE1-CG2 4.5Å; Y62-V88 HydrophobicContact CE2-CG2 3.85Å; Y62-V88 HydrophobicContact CG-CG1 4.29Å; Y62-V88 HydrophobicContact CG-CG2 4.13Å
63A94.3Very high97.1Very high89 Ų8945.9 Ų45.974%0.73623%0.225SC*.THydrogen-bonded Turntrans49.9-111.3-173.600000113.7R61R61-A63 VanDerWaalsContact CZ-O 3.28Å; R61-A63 PolarHBondContact NE-O 2.92Å; R61-A63 PolarHBondContact NH2-O 3.02Å
64S93.6Very high97.3Very high42 Ų4246.6 Ų46.629%0.29423%0.233SC..THydrogen-bonded Turntrans-92.9-9.5177.8580000114.1S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.53Å; S9-S64 WeakPolarHBondContact CA-O 3.34Å; R10-S64 PolarHBondContact N-O 2.64Å; Y62-S64 PolarHBondContact O-N 2.8Å; Y62-S64 VanDerWaalsContact O-N 3.08Å; S64-E100 WeakPolarHBondContact CB-OE2 3.3Å; S64-E100 PolarHBondContact OG-OE2 2.9Å
65L97.3Very high97.4Very high10 Ų1040.9 Ų40.95%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-100.9142.1-174.6-71.3173.7000112.4R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.89Å; R61-L65 CarbonylContact C-O 3.6Å; R61-L65 VanDerWaalsContact CA-O 3.32Å; R61-L65 WeakPolarHBondContact CA-O 3.47Å; R61-L65 WeakPolarHBondContact CG-O 3.46Å; Y62-L65 PolarHBondContact N-O 2.98Å; Y62-L65 PolarHBondContact O-N 2.86Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.87Å; L65-F67 HydrophobicContact CD1-CE2 4.46Å; L65-E100 HydrophobicContact CD1-CB 4.01Å; L65-E100 HydrophobicContact CD1-CG 4.37Å; L65-E100 HydrophobicContact CD2-CB 4.27Å; L65-E100 HydrophobicContact CD2-CG 3.84Å; L65-E100 HydrophobicContact CG-CB 4.03Å; L65-E100 HydrophobicContact CG-CG 4.17Å; L65-I103 HydrophobicContact CD1-CD1 3.67Å
66Y98.4Very high97.4Very high22 Ų2243.3 Ų43.39%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-106.9128.4168.7-71.6-97.9000108.5L7 F8 R10 V39 L40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.45Å; F8-Y66 HydrophobicContact CD2-CD2 4.33Å; F8-Y66 HydrophobicContact CD2-CG 4.28Å; F8-Y66 VanDerWaalsContact CE2-CB 3.43Å; F8-Y66 HydrophobicContact CE2-CD1 4.45Å; F8-Y66 HydrophobicContact CE2-CD2 4.15Å; F8-Y66 AromaticContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CE2-CG 3.78Å; F8-Y66 HydrophobicContact CZ-CG 4.35Å; F8-Y66 PolarHBondContact N-O 2.89Å; F8-Y66 PolarHBondContact O-N 3.11Å; R10-Y66 HydrophobicContact CB-CE2 4.22Å; V39-Y66 HydrophobicContact CG1-CD1 3.57Å; V39-Y66 HydrophobicContact CG1-CE1 3.99Å; V39-Y66 HydrophobicContact CG1-CG 4.34Å; L40-Y66 HydrophobicContact CD2-CD2 3.88Å; L40-Y66 HydrophobicContact CD2-CE2 3.54Å; Y59-Y66 HydrophobicContact CD2-CD1 4.22Å; R61-Y66 HydrophobicContact CB-CD1 4.04Å; R61-Y66 HydrophobicContact CB-CE1 3.91Å; R61-Y66 HydrophobicContact CG-CD1 4.34Å; R61-Y66 HydrophobicContact CG-CD2 4.43Å; R61-Y66 HydrophobicContact CG-CE1 4.08Å; R61-Y66 HydrophobicContact CG-CE2 4.16Å
67F98.6Very high97.4Very high6 Ų643.6 Ų43.63%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-104.9128.5170.3-68-108.5000106.7M5 L7 Y59 K60 Y62 L65 I84 F87 V88 L91M5-F67 HydrophobicContact CE-CD1 3.78Å; L7-F67 HydrophobicContact CD1-CD1 3.62Å; L7-F67 HydrophobicContact CD1-CE1 3.92Å; L7-F67 HydrophobicContact CD1-CG 4.35Å; L7-F67 HydrophobicContact CD2-CD1 4.08Å; L7-F67 HydrophobicContact CD2-CE1 3.5Å; L7-F67 HydrophobicContact CD2-CZ 3.87Å; L7-F67 HydrophobicContact CG-CD1 3.65Å; L7-F67 HydrophobicContact CG-CE1 3.61Å; L7-F67 HydrophobicContact CG-CG 4.19Å; L7-F67 HydrophobicContact CG-CZ 4.1Å; Y59-F67 CarbonylContact C-O 3.57Å; Y59-F67 WeakPolarHBondContact CA-O 3.43Å; Y59-F67 WeakPolarHBondContact CB-O 3.43Å; K60-F67 PolarHBondContact N-O 2.82Å; K60-F67 PolarHBondContact O-N 3.37Å; Y62-F67 AromaticContact CD2-CD2 3.83Å; Y62-F67 HydrophobicContact CD2-CD2 3.83Å; Y62-F67 HydrophobicContact CD2-CE2 4.14Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.87Å; L65-F67 HydrophobicContact CD1-CE2 4.46Å; F67-I84 HydrophobicContact CB-CD1 4.46Å; F67-I84 HydrophobicContact CB-CG1 4.46Å; F67-I84 HydrophobicContact CB-CG2 3.44Å; F67-I84 VanDerWaalsContact CB-CG2 3.44Å; F67-I84 HydrophobicContact CD1-CG2 4.26Å; F67-I84 HydrophobicContact CG-CG2 3.94Å; F67-F87 HydrophobicContact CD1-CD1 4.15Å; F67-F87 AromaticContact CE1-CD1 3.82Å; F67-F87 HydrophobicContact CE1-CD1 3.82Å; F67-F87 HydrophobicContact CE1-CE1 4.05Å; F67-V88 HydrophobicContact CD1-CG2 4.16Å; F67-V88 HydrophobicContact CD2-CG2 4.28Å; F67-V88 HydrophobicContact CE1-CG2 3.72Å; F67-V88 HydrophobicContact CE2-CG2 3.88Å; F67-V88 HydrophobicContact CG-CG2 4.44Å; F67-V88 HydrophobicContact CZ-CG2 3.59Å; F67-L91 HydrophobicContact CE1-CD1 4.2Å; F67-L91 HydrophobicContact CZ-CD1 4.34Å
68C98.6Very high97.4Very high0 Ų048.9 Ų48.90%025%0.246CC..EExtended strand (participates in β ladder)trans-141.3118.1-170.2-177.60000109.5M5 L6 F8 I57 V58M5-C68 CarbonylContact C-O 3.5Å; M5-C68 WeakPolarHBondContact CA-O 3.23Å; L6-C68 HydrophobicContact CB-CB 4.34Å; L6-C68 PolarHBondContact N-O 2.64Å; L6-C68 PolarHBondContact O-N 2.8Å; F8-C68 HydrophobicContact CE1-CB 3.73Å; F8-C68 HydrophobicContact CZ-CB 4.28Å; I57-C68 WeakPolarHBondContact CG2-SG 3.36Å; V58-C68 CarbonylContact O-C 3.59Å; V58-C68 WeakPolarHBondContact O-CA 3.28Å
69C98.6Very high97.3Very high0 Ų053.6 Ų53.60%027%0.27CS..EExtended strand (participates in β ladder)trans-114138.9178.1-60.50000109.5M2 F4 I57 V58 T80 I84M2-C69 HydrophobicContact CE-CB 3.93Å; M2-C69 HydrophobicContact CG-CB 4.35Å; M2-C69 HydrophobicContact SD-CB 3.97Å; F4-C69 WeakPolarHBondContact O-CA 2.99Å; I57-C69 CarbonylContact C-O 3.53Å; I57-C69 WeakPolarHBondContact CA-O 3.49Å; V58-C69 PolarHBondContact N-O 3.03Å; V58-C69 PolarHBondContact O-N 3.41Å; C69-T80 HydrophobicContact CB-CG2 3.78Å; C69-I84 HydrophobicContact CB-CD1 4.49Å
70A98.4Very high97.3Very high0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-103.6124.3167.500000109.5M2 R3 F4 L55 K56 I57M2-A70 CarbonylContact C-O 3.57Å; M2-A70 WeakPolarHBondContact CA-O 3.42Å; M2-A70 WeakPolarHBondContact CG-O 3.39Å; R3-A70 HydrophobicContact CB-CB 4.4Å; R3-A70 PolarHBondContact N-O 3.01Å; F4-A70 HydrophobicContact CD1-CB 3.96Å; F4-A70 HydrophobicContact CD2-CB 4Å; F4-A70 HydrophobicContact CE1-CB 3.48Å; F4-A70 VanDerWaalsContact CE1-CB 3.48Å; F4-A70 HydrophobicContact CE2-CB 3.54Å; F4-A70 HydrophobicContact CG-CB 4.2Å; F4-A70 HydrophobicContact CZ-CB 3.26Å; F4-A70 PolarHBondContact O-N 3.5Å; L55-A70 HydrophobicContact CD1-CB 4.23Å; K56-A70 WeakPolarHBondContact O-CA 3.23Å; I57-A70 HydrophobicContact CD1-CB 3.44Å; I57-A70 VanDerWaalsContact CD1-CB 3.44Å
71I98.3Very high97.3Very high1 Ų150.8 Ų50.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-124.5161.5-177.168.4-179.4000110.3M2 K56 V58 D75 E77 T80M2-I71 HydrophobicContact CB-CG2 4.28Å; M2-I71 HydrophobicContact CG-CG2 4.24Å; K56-I71 HydrophobicContact CB-CD1 4.36Å; K56-I71 HydrophobicContact CB-CG1 3.77Å; K56-I71 PolarHBondContact N-O 3.42Å; K56-I71 PolarHBondContact O-N 2.85Å; V58-I71 HydrophobicContact CG2-CD1 3.72Å; V58-I71 HydrophobicContact CG2-CG1 4.37Å; I71-D75 HydrophobicContact CB-CB 3.96Å; I71-D75 HydrophobicContact CD1-CB 3.82Å; I71-D75 HydrophobicContact CG1-CB 4.07Å; I71-E77 HydrophobicContact CD1-CG 4.33Å; I71-T80 HydrophobicContact CD1-CG2 4.36Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.48Å; I71-T80 HydrophobicContact CG2-CG2 3.68Å
72E97.3Very high97.3Very high35 Ų3551.5 Ų51.516%0.16427%0.268CS..  trans-76.7163.9177.9-67.7174.8149.500111.3M1 R3 L55 Q74 D75M1-E72 PolarHBondContact N-OE2 2.79Å; M1-E72 WeakPolarHBondContact O-CG 3.45Å; M1-E72 PolarHBondContact O-N 3.15Å; R3-E72 IonicContact CZ-OE1 2.64Å; R3-E72 IonicContact NE-OE1 3.36Å; R3-E72 PolarHBondContact NE-OE1 3.22Å; R3-E72 IonicContact NH1-OE1 2.78Å; R3-E72 IonicContact NH2-OE1 2.77Å; R3-E72 PolarHBondContact NH2-OE1 3.48Å; L55-E72 HydrophobicContact CD2-CG 4.47Å; E72-Q74 PolarHBondContact O-N 3.14Å; E72-Q74 PolarHBondContact OE2-NE2 2.95Å; E72-D75 PolarHBondContact N-OD2 3.07Å; E72-D75 WeakPolarHBondContact O-CB 3.5Å; E72-D75 PolarHBondContact O-N 3.42Å; E72-D75 VanDerWaalsContact O-N 3.11Å
73E95.6Very high97.4Very high145 Ų14549.5 Ų49.568%0.67826%0.261SS*.THydrogen-bonded Turntrans-60.8-34.7-173.5-169.2-179.9176.100112.9K56 D75K56-E73 WeakPolarHBondContact CE-O 3.45Å; K56-E73 PolarHBondContact NZ-O 3.34Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.22Å
74Q95.8Very high97.6Very high141 Ų14145.2 Ų45.266%0.65923%0.226SC*.THydrogen-bonded Turntrans-77.7-10.4179.970.8-82.711.500114.5E72E72-Q74 PolarHBondContact O-N 3.14Å; E72-Q74 PolarHBondContact OE2-NE2 2.95Å
75D96.6Very high97.8Very high35 Ų3546.4 Ų46.419%0.18723%0.227CC..SBendtrans-80153-178.8-64.5-41.1000112M1 I71 E72 E73M1-D75 WeakPolarHBondContact CA-OD2 3.4Å; M1-D75 PolarHBondContact N-OD1 2.64Å; M1-D75 PolarHBondContact N-OD2 3.43Å; I71-D75 HydrophobicContact CB-CB 3.96Å; I71-D75 HydrophobicContact CD1-CB 3.82Å; I71-D75 HydrophobicContact CG1-CB 4.07Å; E72-D75 PolarHBondContact N-OD2 3.07Å; E72-D75 WeakPolarHBondContact O-CB 3.5Å; E72-D75 PolarHBondContact O-N 3.42Å; E72-D75 VanDerWaalsContact O-N 3.11Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.22Å
76N97.3Very high97.8Very high77 Ų7749.4 Ų49.441%0.41224%0.237SC..  trans-86.9121.1-180-171.8-57.1000111.3L78 I79 T80N76-L78 PolarHBondContact O-N 3.32Å; N76-L78 WeakPolarHBondContact OD1-CA 3.37Å; N76-L78 WeakPolarHBondContact OD1-CB 3.41Å; N76-L78 PolarHBondContact OD1-N 3.23Å; N76-I79 HydrophobicContact CB-CB 4.12Å; N76-I79 HydrophobicContact CB-CD1 3.87Å; N76-I79 HydrophobicContact CB-CG1 3.98Å; N76-I79 PolarHBondContact O-N 2.94Å; N76-I79 PolarHBondContact OD1-N 3.49Å; N76-T80 PolarHBondContact O-N 3.5Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 3.24Å
77E98.2Very high97.8Very high50 Ų5048.4 Ų48.423%0.23423%0.233CC..Hα-helixtrans-67.6-34.9-177.4-56.886.6161.900112.4F49 K56 V58 I71 T80 L81F49-E77 HydrophobicContact CB-CG 4.49Å; F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.22Å; F49-E77 HydrophobicContact CD2-CB 4.18Å; F49-E77 HydrophobicContact CE1-CB 3.63Å; F49-E77 HydrophobicContact CE2-CB 4.21Å; F49-E77 HydrophobicContact CG-CB 3.89Å; F49-E77 HydrophobicContact CG-CG 4.17Å; F49-E77 HydrophobicContact CZ-CB 3.96Å; K56-E77 HydrophobicContact CD-CG 4.23Å; K56-E77 WeakPolarHBondContact CD-OE1 3.47Å; K56-E77 WeakPolarHBondContact CE-OE1 3.26Å; K56-E77 IonicContact NZ-OE1 3.9Å; K56-E77 PolarHBondContact NZ-OE1 2.93Å; V58-E77 HydrophobicContact CG2-CB 3.97Å; V58-E77 HydrophobicContact CG2-CG 4.25Å; I71-E77 HydrophobicContact CD1-CG 4.33Å; E77-T80 PolarHBondContact O-N 2.96Å; E77-L81 WeakPolarHBondContact O-CB 3.34Å; E77-L81 PolarHBondContact O-N 3.35Å
78L98.3Very high97.8Very high110 Ų11049.1 Ų49.158%0.57624%0.238SC*.Hα-helixtrans-71-41.2179.5-62.3171.6000111.2F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.2Å; F49-L78 HydrophobicContact CZ-CD2 3.82Å; N76-L78 PolarHBondContact O-N 3.32Å; N76-L78 WeakPolarHBondContact OD1-CA 3.37Å; N76-L78 WeakPolarHBondContact OD1-CB 3.41Å; N76-L78 PolarHBondContact OD1-N 3.23Å; L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.37Å; L78-L81 WeakPolarHBondContact O-CB 3.24Å; L78-L81 PolarHBondContact O-N 2.77Å; L78-E82 PolarHBondContact O-N 2.78Å
79I97.6Very high97.8Very high99 Ų9951.8 Ų51.851%0.50825%0.251SS..Hα-helixtrans-62.5-41.7173.8-63.3178.3000109.7N76 L81 E82 I83N76-I79 HydrophobicContact CB-CB 4.12Å; N76-I79 HydrophobicContact CB-CD1 3.87Å; N76-I79 HydrophobicContact CB-CG1 3.98Å; N76-I79 PolarHBondContact O-N 2.94Å; N76-I79 PolarHBondContact OD1-N 3.49Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 2.88Å; I79-E82 CarbonylContact O-C 3.57Å; I79-E82 WeakPolarHBondContact O-CB 3.44Å; I79-E82 PolarHBondContact O-N 3.46Å; I79-E82 VanDerWaalsContact O-N 3.14Å; I79-I83 HydrophobicContact CG2-CD1 4.42Å; I79-I83 WeakPolarHBondContact O-CG1 3.27Å; I79-I83 PolarHBondContact O-N 3.22Å
80T98.4Very high97.7Very high7 Ų751.9 Ų51.94%0.04325%0.251CS..Hα-helixtrans-63.8-36.3176.3-56.70000112M2 V58 C69 I71 N76 E77 L78 E82 I83 I84M2-T80 HydrophobicContact CE-CG2 4.27Å; V58-T80 HydrophobicContact CB-CG2 3.78Å; V58-T80 HydrophobicContact CG1-CG2 4.05Å; V58-T80 HydrophobicContact CG2-CG2 3.91Å; C69-T80 HydrophobicContact CB-CG2 3.78Å; I71-T80 HydrophobicContact CD1-CG2 4.36Å; I71-T80 WeakPolarHBondContact CD1-OG1 3.48Å; I71-T80 HydrophobicContact CG2-CG2 3.68Å; N76-T80 PolarHBondContact O-N 3.5Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 3.24Å; E77-T80 PolarHBondContact O-N 2.96Å; L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.37Å; T80-E82 VanDerWaalsContact C-N 3.32Å; T80-I83 WeakPolarHBondContact O-CB 3.39Å; T80-I83 PolarHBondContact O-N 3.03Å; T80-I84 WeakPolarHBondContact O-CG1 3.5Å; T80-I84 PolarHBondContact O-N 2.97Å
81L98.3Very high97.7Very high33 Ų3352 Ų5217%0.17325%0.251CS..Hα-helixtrans-65-38.2174.3-163.967.7000111.7F49 V58 K60 E77 L78 I79 I84 H85F49-L81 HydrophobicContact CE1-CB 4.45Å; F49-L81 HydrophobicContact CE1-CD2 4.37Å; F49-L81 HydrophobicContact CZ-CD2 4.31Å; V58-L81 HydrophobicContact CG1-CB 4.1Å; V58-L81 HydrophobicContact CG1-CD1 3.87Å; K60-L81 HydrophobicContact CB-CD1 3.93Å; K60-L81 HydrophobicContact CD-CD1 4.32Å; K60-L81 HydrophobicContact CG-CD1 4.42Å; E77-L81 WeakPolarHBondContact O-CB 3.34Å; E77-L81 PolarHBondContact O-N 3.35Å; L78-L81 WeakPolarHBondContact O-CB 3.24Å; L78-L81 PolarHBondContact O-N 2.77Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 2.88Å; L81-I84 PolarHBondContact O-N 3.44Å; L81-H85 PolarHBondContact O-N 3.39Å
82E98.1Very high97.7Very high118 Ų11855.5 Ų55.555%0.55127%0.271SS*.Hα-helixtrans-67.8-35.5172-74-59.6142.400112.6L78 I79 T80 I84 H85 R86L78-E82 PolarHBondContact O-N 2.78Å; I79-E82 CarbonylContact O-C 3.57Å; I79-E82 WeakPolarHBondContact O-CB 3.44Å; I79-E82 PolarHBondContact O-N 3.46Å; I79-E82 VanDerWaalsContact O-N 3.14Å; T80-E82 VanDerWaalsContact C-N 3.32Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.43Å; E82-H85 PolarHBondContact O-N 3.27Å; E82-R86 VanDerWaalsContact O-CB 3.28Å; E82-R86 WeakPolarHBondContact O-CB 3.38Å; E82-R86 PolarHBondContact O-N 3.15Å
83I98.1Very high97.7Very high19 Ų1961 Ų6110%0.09729%0.294CS..Hα-helixtrans-59.5-47.2171.9-69.1171000110.2M2 I79 T80 H85 R86 F87 F117 L118 I123M2-I83 HydrophobicContact CE-CG2 4.2Å; I79-I83 HydrophobicContact CG2-CD1 4.42Å; I79-I83 WeakPolarHBondContact O-CG1 3.27Å; I79-I83 PolarHBondContact O-N 3.22Å; T80-I83 WeakPolarHBondContact O-CB 3.39Å; T80-I83 PolarHBondContact O-N 3.03Å; I83-H85 VanDerWaalsContact C-N 3.31Å; I83-H85 PolarHBondContact O-N 3.45Å; I83-R86 PolarHBondContact O-N 2.85Å; I83-F87 PolarHBondContact O-N 3.46Å; I83-F117 HydrophobicContact CG2-CE1 3.72Å; I83-F117 HydrophobicContact CG2-CZ 3.99Å; I83-L118 HydrophobicContact CG2-CD1 3.98Å; I83-L118 HydrophobicContact CG2-CD2 3.99Å; I83-L118 HydrophobicContact CG2-CG 4.49Å; I83-I123 HydrophobicContact CD1-CD1 3.67Å; I83-I123 HydrophobicContact CD1-CG1 3.68Å; I83-I123 HydrophobicContact CG1-CD1 3.59Å; I83-I123 HydrophobicContact CG1-CG1 3.91Å
84I98.4Very high97.7Very high0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-58-47.4175.4-69.3171000110M5 V58 K60 Y62 F67 C69 T80 L81 E82 R86 F87 V88M5-I84 HydrophobicContact CE-CG1 4.5Å; V58-I84 HydrophobicContact CG1-CD1 4.1Å; K60-I84 HydrophobicContact CB-CG2 4.16Å; Y62-I84 HydrophobicContact CE2-CG2 3.93Å; F67-I84 HydrophobicContact CB-CD1 4.46Å; F67-I84 HydrophobicContact CB-CG1 4.46Å; F67-I84 HydrophobicContact CB-CG2 3.44Å; F67-I84 VanDerWaalsContact CB-CG2 3.44Å; F67-I84 HydrophobicContact CD1-CG2 4.26Å; F67-I84 HydrophobicContact CG-CG2 3.94Å; C69-I84 HydrophobicContact CB-CD1 4.49Å; T80-I84 WeakPolarHBondContact O-CG1 3.5Å; T80-I84 PolarHBondContact O-N 2.97Å; L81-I84 PolarHBondContact O-N 3.44Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.43Å; I84-R86 PolarHBondContact O-N 3.45Å; I84-F87 PolarHBondContact O-N 3.11Å; I84-V88 WeakPolarHBondContact O-CG2 3.46Å; I84-V88 PolarHBondContact O-N 3.46Å; I84-V88 VanDerWaalsContact O-N 3.07Å
85H98.1Very high97.7Very high67 Ų6752.7 Ų52.731%0.3125%0.252SS..Hα-helixtrans-62.7-44.3-179-170.635.1000111.8Y62 L81 E82 I83 F87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.83Å; Y62-H85 AromaticContact CZ-ND1 3.77Å; Y62-H85 WeakPolarHBondContact OH-CB 3.34Å; Y62-H85 PolarHBondContact OH-ND1 3.41Å; Y62-H85 VanDerWaalsContact OH-ND1 3.08Å; L81-H85 PolarHBondContact O-N 3.39Å; E82-H85 PolarHBondContact O-N 3.27Å; I83-H85 VanDerWaalsContact C-N 3.31Å; I83-H85 PolarHBondContact O-N 3.45Å; H85-F87 VanDerWaalsContact C-N 3.32Å; H85-F87 PolarHBondContact O-N 2.7Å; H85-V88 WeakPolarHBondContact O-CB 3.27Å; H85-V88 PolarHBondContact O-N 3.07Å; H85-V88 VanDerWaalsContact O-N 3.14Å; H85-E89 WeakPolarHBondContact O-CG 3.45Å; H85-E89 PolarHBondContact O-N 2.76Å
86R98Very high97.5Very high73 Ų7353.5 Ų53.528%0.27527%0.269SS..Hα-helixtrans-59.5-42176.7178.854.160.896.98.8111.9E82 I83 I84 V88 E89 L90 F117 T126E82-R86 VanDerWaalsContact O-CB 3.28Å; E82-R86 WeakPolarHBondContact O-CB 3.38Å; E82-R86 PolarHBondContact O-N 3.15Å; I83-R86 PolarHBondContact O-N 2.85Å; I84-R86 PolarHBondContact O-N 3.45Å; R86-V88 VanDerWaalsContact C-N 3.34Å; R86-V88 PolarHBondContact O-N 3.44Å; R86-E89 IonicContact NE-OE2 3.01Å; R86-E89 PolarHBondContact NE-OE2 3.22Å; R86-E89 PolarHBondContact O-N 3.27Å; R86-L90 HydrophobicContact CG-CD1 4.44Å; R86-L90 WeakPolarHBondContact O-CG 3.23Å; R86-L90 PolarHBondContact O-N 3.12Å; R86-F117 HydrophobicContact CB-CE1 4.34Å; R86-F117 HydrophobicContact CB-CZ 3.86Å; R86-F117 HydrophobicContact CG-CE1 4.19Å; R86-F117 HydrophobicContact CG-CE2 3.74Å; R86-F117 HydrophobicContact CG-CZ 3.53Å; R86-T126 PolarHBondContact NH1-O 3.32Å
87F98.4Very high97.3Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-63.2-41175.5-177.4-126.2000111.9M5 L7 F67 I83 I84 H85 E89 L90 L91 I113 L114 F117M5-F87 HydrophobicContact CE-CD1 3.46Å; M5-F87 VanDerWaalsContact CE-CD1 3.46Å; M5-F87 HydrophobicContact CE-CE1 4Å; M5-F87 HydrophobicContact CE-CG 4.28Å; M5-F87 HydrophobicContact SD-CD1 4.43Å; L7-F87 HydrophobicContact CD1-CE1 4.38Å; L7-F87 HydrophobicContact CD2-CE1 4.23Å; F67-F87 HydrophobicContact CD1-CD1 4.15Å; F67-F87 AromaticContact CE1-CD1 3.82Å; F67-F87 HydrophobicContact CE1-CD1 3.82Å; F67-F87 HydrophobicContact CE1-CE1 4.05Å; I83-F87 PolarHBondContact O-N 3.46Å; I84-F87 PolarHBondContact O-N 3.11Å; H85-F87 VanDerWaalsContact C-N 3.32Å; H85-F87 PolarHBondContact O-N 2.7Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.42Å; F87-L90 PolarHBondContact O-N 2.94Å; F87-L91 HydrophobicContact CD1-CD1 3.99Å; F87-L91 HydrophobicContact CD2-CG 4.41Å; F87-L91 HydrophobicContact CE1-CD1 3.67Å; F87-L91 HydrophobicContact CE1-CG 4.35Å; F87-L91 HydrophobicContact CE2-CD1 4.28Å; F87-L91 HydrophobicContact CE2-CD2 4.15Å; F87-L91 HydrophobicContact CE2-CG 4.06Å; F87-L91 HydrophobicContact CG-CD1 4.45Å; F87-L91 HydrophobicContact CZ-CD1 3.82Å; F87-L91 HydrophobicContact CZ-CD2 4.03Å; F87-L91 HydrophobicContact CZ-CG 4.04Å; F87-L91 WeakPolarHBondContact O-CG 3.23Å; F87-L91 PolarHBondContact O-N 2.95Å; F87-I113 HydrophobicContact CD2-CG2 4.36Å; F87-I113 HydrophobicContact CE2-CB 4.38Å; F87-I113 HydrophobicContact CE2-CG2 3.97Å; F87-L114 HydrophobicContact CD1-CD1 4.31Å; F87-L114 HydrophobicContact CD2-CD1 3.92Å; F87-L114 HydrophobicContact CE1-CD1 4.16Å; F87-L114 HydrophobicContact CE2-CB 3.68Å; F87-L114 HydrophobicContact CE2-CD1 3.8Å; F87-L114 HydrophobicContact CE2-CG 4.33Å; F87-L114 HydrophobicContact CG-CD1 4.19Å; F87-L114 HydrophobicContact CZ-CB 3.81Å; F87-L114 HydrophobicContact CZ-CD1 3.91Å; F87-L114 HydrophobicContact CZ-CG 4.32Å; F87-F117 HydrophobicContact CB-CD1 4.14Å; F87-F117 HydrophobicContact CB-CE1 4.04Å; F87-F117 HydrophobicContact CD2-CD1 4.29Å
88V97.9Very high97.1Very high21 Ų2154 Ų5413%0.12728%0.282CS..Hα-helixtrans-61.8-41.1173.7174.70000111.6Y62 F67 I84 H85 R86 L90 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4.01Å; Y62-V88 HydrophobicContact CD1-CG2 4.46Å; Y62-V88 HydrophobicContact CD2-CG2 3.8Å; Y62-V88 HydrophobicContact CE1-CG1 4.22Å; Y62-V88 HydrophobicContact CE1-CG2 4.5Å; Y62-V88 HydrophobicContact CE2-CG2 3.85Å; Y62-V88 HydrophobicContact CG-CG1 4.29Å; Y62-V88 HydrophobicContact CG-CG2 4.13Å; F67-V88 HydrophobicContact CD1-CG2 4.16Å; F67-V88 HydrophobicContact CD2-CG2 4.28Å; F67-V88 HydrophobicContact CE1-CG2 3.72Å; F67-V88 HydrophobicContact CE2-CG2 3.88Å; F67-V88 HydrophobicContact CG-CG2 4.44Å; F67-V88 HydrophobicContact CZ-CG2 3.59Å; I84-V88 WeakPolarHBondContact O-CG2 3.46Å; I84-V88 PolarHBondContact O-N 3.46Å; I84-V88 VanDerWaalsContact O-N 3.07Å; H85-V88 WeakPolarHBondContact O-CB 3.27Å; H85-V88 PolarHBondContact O-N 3.07Å; H85-V88 VanDerWaalsContact O-N 3.14Å; R86-V88 VanDerWaalsContact C-N 3.34Å; R86-V88 PolarHBondContact O-N 3.44Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.22Å; V88-L91 PolarHBondContact O-N 3.08Å; V88-D92 WeakPolarHBondContact O-CB 3.42Å; V88-D92 PolarHBondContact O-N 3.36Å
89E97.8Very high97Very high57 Ų5751.5 Ų51.527%0.26627%0.273SS..Hα-helixtrans-64.7-36.7175.7-66.2-175.2118.300112.8H85 R86 F87 K93 K128H85-E89 WeakPolarHBondContact O-CG 3.45Å; H85-E89 PolarHBondContact O-N 2.76Å; R86-E89 IonicContact NE-OE2 3.01Å; R86-E89 PolarHBondContact NE-OE2 3.22Å; R86-E89 PolarHBondContact O-N 3.27Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.42Å; E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 2.84Å; E89-K128 HydrophobicContact CB-CD 4Å; E89-K128 IonicContact OE1-NZ 2.73Å; E89-K128 PolarHBondContact OE1-NZ 3.01Å; E89-K128 WeakPolarHBondContact OE2-CD 3.39Å; E89-K128 WeakPolarHBondContact OE2-CE 3.14Å; E89-K128 IonicContact OE2-NZ 3.78Å; E89-K128 PolarHBondContact OE2-NZ 2.9Å
90L98Very high96.9Very high1 Ų148.4 Ų48.41%0.00526%0.257CS..Hα-helixtrans-65-47.2175.6-72.1168.8000110.8R86 F87 V88 D92 K93 Y94 I113 F117 K128 V131 L132R86-L90 HydrophobicContact CG-CD1 4.44Å; R86-L90 WeakPolarHBondContact O-CG 3.23Å; R86-L90 PolarHBondContact O-N 3.12Å; F87-L90 PolarHBondContact O-N 2.94Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 3.22Å; L90-D92 PolarHBondContact O-N 2.92Å; L90-K93 PolarHBondContact O-N 2.97Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.35Å; L90-I113 HydrophobicContact CB-CG2 3.83Å; L90-I113 HydrophobicContact CD1-CG2 4.48Å; L90-F117 HydrophobicContact CD1-CB 3.89Å; L90-F117 HydrophobicContact CD1-CD1 4.04Å; L90-F117 HydrophobicContact CD1-CD2 4.07Å; L90-F117 HydrophobicContact CD1-CG 3.72Å; L90-K128 HydrophobicContact CD2-CB 4.22Å; L90-K128 HydrophobicContact CD2-CG 4.06Å; L90-V131 HydrophobicContact CD1-CG1 3.96Å; L90-V131 HydrophobicContact CD2-CB 3.98Å; L90-V131 HydrophobicContact CD2-CG1 3.88Å; L90-L132 HydrophobicContact CD2-CD1 4.37Å; L90-L132 HydrophobicContact CD2-CD2 4.24Å; L90-L132 HydrophobicContact CD2-CG 3.9Å
91L97.9Very high96.8Very high2 Ų252.9 Ų52.91%0.0128%0.28CS..Hα-helixtrans-59.1-46.4174.8-68.6170.3000111.3F67 F87 V88 K93 Y94 F95 V98 I103 A110 I113F67-L91 HydrophobicContact CE1-CD1 4.2Å; F67-L91 HydrophobicContact CZ-CD1 4.34Å; F87-L91 HydrophobicContact CD1-CD1 3.99Å; F87-L91 HydrophobicContact CD2-CG 4.41Å; F87-L91 HydrophobicContact CE1-CD1 3.67Å; F87-L91 HydrophobicContact CE1-CG 4.35Å; F87-L91 HydrophobicContact CE2-CD1 4.28Å; F87-L91 HydrophobicContact CE2-CD2 4.15Å; F87-L91 HydrophobicContact CE2-CG 4.06Å; F87-L91 HydrophobicContact CG-CD1 4.45Å; F87-L91 HydrophobicContact CZ-CD1 3.82Å; F87-L91 HydrophobicContact CZ-CD2 4.03Å; F87-L91 HydrophobicContact CZ-CG 4.04Å; F87-L91 WeakPolarHBondContact O-CG 3.23Å; F87-L91 PolarHBondContact O-N 2.95Å; V88-L91 PolarHBondContact O-N 3.08Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.02Å; L91-Y94 PolarHBondContact O-N 3.48Å; L91-F95 HydrophobicContact CB-CD2 4.45Å; L91-F95 HydrophobicContact CD2-CD2 4.36Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.44Å; L91-F95 PolarHBondContact O-N 3.21Å; L91-V98 HydrophobicContact CB-CG1 4.29Å; L91-V98 HydrophobicContact CB-CG2 4.23Å; L91-I103 HydrophobicContact CD1-CD1 4.12Å; L91-A110 HydrophobicContact CD2-CB 4.08Å; L91-I113 HydrophobicContact CD2-CD1 4Å
92D97.1Very high96.7Very high76 Ų7653.5 Ų53.541%0.40628%0.283SS..Hα-helixtrans-61.9-40.4179.3-172.663.6000112.4V88 L90 G96 S97 V98V88-D92 WeakPolarHBondContact O-CB 3.42Å; V88-D92 PolarHBondContact O-N 3.36Å; L90-D92 PolarHBondContact O-N 2.92Å; D92-G96 VanDerWaalsContact O-CA 3.28Å; D92-G96 WeakPolarHBondContact O-CA 3.2Å; D92-G96 PolarHBondContact O-N 2.77Å; D92-S97 PolarHBondContact O-N 2.73Å; D92-S97 VanDerWaalsContact OD1-CA 3.23Å; D92-S97 WeakPolarHBondContact OD1-CA 3.43Å; D92-S97 PolarHBondContact OD1-N 3.26Å; D92-V98 HydrophobicContact CB-CG1 3.84Å; D92-V98 PolarHBondContact OD1-N 3.17Å; D92-V98 VanDerWaalsContact OD1-N 3.08Å
93K96.9Very high96.6Very high150 Ų15048 Ų4865%0.65226%0.258SS*.Hα-helixtrans-72.6-33.3179.6-171.755.7175.6171.80112.8E89 L90 L91 L132E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 2.84Å; L90-K93 PolarHBondContact O-N 2.97Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.02Å; K93-L132 HydrophobicContact CB-CD1 3.89Å; K93-L132 HydrophobicContact CB-CD2 4.21Å; K93-L132 HydrophobicContact CG-CD1 3.33Å; K93-L132 HydrophobicContact CG-CD2 4.22Å; K93-L132 HydrophobicContact CG-CG 4.42Å
94Y96.7Very high96.5Very high66 Ų6649.8 Ų49.826%0.25927%0.267SS..Hα-helixtrans-74-52.6177.1-178.5-95.8000112L90 L91 K109 I113 I135 D139L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.35Å; L91-Y94 PolarHBondContact O-N 3.48Å; Y94-K109 HydrophobicContact CE1-CB 4.04Å; Y94-K109 HydrophobicContact CE1-CG 4.43Å; Y94-I113 HydrophobicContact CD1-CD1 3.56Å; Y94-I113 HydrophobicContact CD2-CD1 4.17Å; Y94-I113 HydrophobicContact CE1-CD1 4.12Å; Y94-I113 HydrophobicContact CG-CD1 3.57Å; Y94-I113 HydrophobicContact CG-CG1 4.44Å; Y94-I135 HydrophobicContact CD2-CG2 3.83Å; Y94-I135 HydrophobicContact CE2-CG2 3.43Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.43Å; Y94-D139 VanDerWaalsContact CE2-OD2 3.23Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D139 PolarHBondContact OH-OD2 2.93Å
95F95.7Very high96.4Very high45 Ų4556.9 Ų56.920%0.19730%0.298CS..Hα-helixtrans-80.6-22.2-176.8-70.1-68.9000113.9L91 V98 D102 N106 K109 I113L91-F95 HydrophobicContact CB-CD2 4.45Å; L91-F95 HydrophobicContact CD2-CD2 4.36Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.44Å; L91-F95 PolarHBondContact O-N 3.21Å; F95-V98 HydrophobicContact CB-CB 4.08Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.38Å; F95-V98 HydrophobicContact CD2-CG2 3.71Å; F95-V98 HydrophobicContact CG-CG2 4.2Å; F95-D102 HydrophobicContact CB-CB 4.4Å; F95-D102 HydrophobicContact CD1-CB 3.89Å; F95-D102 HydrophobicContact CD2-CB 4.44Å; F95-D102 HydrophobicContact CE1-CB 4.27Å; F95-D102 HydrophobicContact CG-CB 3.99Å; F95-N106 HydrophobicContact CE1-CB 3.75Å; F95-N106 HydrophobicContact CZ-CB 3.96Å; F95-K109 HydrophobicContact CZ-CB 4.22Å; F95-I113 HydrophobicContact CE2-CD1 4.31Å
96G92.9Very high96.3Very high53 Ų5356.5 Ų56.555%0.54630%0.298SS..THydrogen-bonded Turntrans73.385-177.800000112.7D92D92-G96 VanDerWaalsContact O-CA 3.28Å; D92-G96 WeakPolarHBondContact O-CA 3.2Å; D92-G96 PolarHBondContact O-N 2.77Å
97S91.8Very high96.2Very high101 Ų10158.3 Ų58.371%0.70631%0.308SS*.SBendtrans69.562.7-170.2-49.80000112.4D92D92-S97 PolarHBondContact O-N 2.73Å; D92-S97 VanDerWaalsContact OD1-CA 3.23Å; D92-S97 WeakPolarHBondContact OD1-CA 3.43Å; D92-S97 PolarHBondContact OD1-N 3.26Å
98V95.3Very high96Very high36 Ų3661.2 Ų61.222%0.21832%0.322CS..  trans-59.8137.3-17266.50000112.6L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CG1 4.29Å; L91-V98 HydrophobicContact CB-CG2 4.23Å; D92-V98 HydrophobicContact CB-CG1 3.84Å; D92-V98 PolarHBondContact OD1-N 3.17Å; D92-V98 VanDerWaalsContact OD1-N 3.08Å; F95-V98 HydrophobicContact CB-CB 4.08Å; F95-V98 HydrophobicContact CB-CG2 4.13Å; F95-V98 HydrophobicContact CD2-CB 4.38Å; F95-V98 HydrophobicContact CD2-CG2 3.71Å; F95-V98 HydrophobicContact CG-CG2 4.2Å; V98-D102 HydrophobicContact CG2-CB 4.34Å; V98-I103 HydrophobicContact CG2-CD1 4.46Å; V98-I103 HydrophobicContact CG2-CG1 4.26Å
99C94.9Very high95.9Very high57 Ų5761.8 Ų61.839%0.38532%0.323SS..  trans-124.9171170.779.20000112.2L101 D102C99-L101 PolarHBondContact O-N 3.4Å; C99-D102 PolarHBondContact N-OD2 2.83Å; C99-D102 PolarHBondContact O-N 2.9Å; C99-D102 VanDerWaalsContact SG-CG 3.58Å; C99-D102 PolarHBondContact SG-OD2 3.28Å
100E95.6Very high95.9Very high35 Ų3559 Ų5916%0.16431%0.31CS..Hα-helixtrans-60.8-31.8178.8172.5173.9179.300112.7S9 R15 S64 L65 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.01Å; R15-E100 IonicContact CZ-OE1 3.28Å; R15-E100 VanDerWaalsContact CZ-OE1 3.24Å; R15-E100 IonicContact NE-OE1 2.8Å; R15-E100 PolarHBondContact NE-OE1 3.02Å; R15-E100 IonicContact NH2-OE1 2.75Å; R15-E100 PolarHBondContact NH2-OE1 3.1Å; S64-E100 WeakPolarHBondContact CB-OE2 3.3Å; S64-E100 PolarHBondContact OG-OE2 2.9Å; L65-E100 HydrophobicContact CD1-CB 4.01Å; L65-E100 HydrophobicContact CD1-CG 4.37Å; L65-E100 HydrophobicContact CD2-CB 4.27Å; L65-E100 HydrophobicContact CD2-CG 3.84Å; L65-E100 HydrophobicContact CG-CB 4.03Å; L65-E100 HydrophobicContact CG-CG 4.17Å; E100-I103 PolarHBondContact O-N 3.3Å; E100-I104 HydrophobicContact CG-CD1 3.78Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CD1 3.19Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.45Å; E100-I104 PolarHBondContact O-N 2.9Å; E100-I104 VanDerWaalsContact O-N 3.11Å
101L96.3Very high95.9Very high101 Ų10161.5 Ų61.553%0.52932%0.32SS..Hα-helixtrans-67.3-37.6179-70.1171.2000111.7C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.4Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 2.9Å; L101-I104 HydrophobicContact CD2-CD1 4.24Å; L101-I104 WeakPolarHBondContact O-CB 3.34Å; L101-I104 PolarHBondContact O-N 2.89Å; L101-F105 HydrophobicContact CB-CD2 4.23Å; L101-F105 HydrophobicContact CB-CE2 4.3Å; L101-F105 HydrophobicContact CD2-CE2 4.11Å; L101-F105 VanDerWaalsContact O-CD2 3.22Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 2.9Å
102D96.8Very high95.8Very high45 Ų4566 Ų6624%0.24134%0.339CS..Hα-helixtrans-60.4-40.6178.7-55-41.2000111F95 V98 C99 N106F95-D102 HydrophobicContact CB-CB 4.4Å; F95-D102 HydrophobicContact CD1-CB 3.89Å; F95-D102 HydrophobicContact CD2-CB 4.44Å; F95-D102 HydrophobicContact CE1-CB 4.27Å; F95-D102 HydrophobicContact CG-CB 3.99Å; V98-D102 HydrophobicContact CG2-CB 4.34Å; C99-D102 PolarHBondContact N-OD2 2.83Å; C99-D102 PolarHBondContact O-N 2.9Å; C99-D102 VanDerWaalsContact SG-CG 3.58Å; C99-D102 PolarHBondContact SG-OD2 3.28Å; D102-N106 WeakPolarHBondContact O-CB 3.36Å; D102-N106 PolarHBondContact O-N 2.77Å; D102-N106 PolarHBondContact O-ND2 2.88Å
103I96.6Very high95.8Very high3 Ų362.3 Ų62.32%0.01532%0.32CS..Hα-helixtrans-70-32.5175.9-58.4177.8000111.6L7 R15 L65 L91 V98 E100 L101 F107 A110L7-I103 HydrophobicContact CD2-CD1 4.33Å; R15-I103 HydrophobicContact CB-CG2 4.29Å; L65-I103 HydrophobicContact CD1-CD1 3.67Å; L91-I103 HydrophobicContact CD1-CD1 4.12Å; V98-I103 HydrophobicContact CG2-CD1 4.46Å; V98-I103 HydrophobicContact CG2-CG1 4.26Å; E100-I103 PolarHBondContact O-N 3.3Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 2.9Å; I103-F107 WeakPolarHBondContact O-CA 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.23Å; I103-F107 PolarHBondContact O-N 2.88Å; I103-A110 HydrophobicContact CG2-CB 4.28Å
104I96.3Very high95.9Very high57 Ų5755.2 Ų55.229%0.29229%0.288SS..Hα-helixtrans-70.2-43.3177.5-70.8163.7000111E100 L101E100-I104 HydrophobicContact CG-CD1 3.78Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CD1 3.19Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.45Å; E100-I104 PolarHBondContact O-N 2.9Å; E100-I104 VanDerWaalsContact O-N 3.11Å; L101-I104 HydrophobicContact CD2-CD1 4.24Å; L101-I104 WeakPolarHBondContact O-CB 3.34Å; L101-I104 PolarHBondContact O-N 2.89Å
105F96.4Very high95.9Very high149 Ų14954.7 Ų54.765%0.65429%0.29SS*.Hα-helixtrans-81.2-30.5-176.3-75.1-67000113L101L101-F105 HydrophobicContact CB-CD2 4.23Å; L101-F105 HydrophobicContact CB-CE2 4.3Å; L101-F105 HydrophobicContact CD2-CE2 4.11Å; L101-F105 VanDerWaalsContact O-CD2 3.22Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 2.9Å
106N95.7Very high96Very high59 Ų5955.3 Ų55.332%0.31629%0.294SS..SBendtrans-121.951.3-178.1-45.9-81.3000110.3F95 D102 E108 K109 A110F95-N106 HydrophobicContact CE1-CB 3.75Å; F95-N106 HydrophobicContact CZ-CB 3.96Å; D102-N106 WeakPolarHBondContact O-CB 3.36Å; D102-N106 PolarHBondContact O-N 2.77Å; D102-N106 PolarHBondContact O-ND2 2.88Å; N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 WeakPolarHBondContact CA-OE1 3.27Å; N106-E108 PolarHBondContact O-N 3.33Å; N106-K109 HydrophobicContact CB-CB 4.2Å; N106-K109 HydrophobicContact CB-CG 4.2Å; N106-K109 PolarHBondContact O-N 3.05Å; N106-A110 PolarHBondContact O-N 3.11Å
107F94.9Very high96.2Very high111 Ų11153 Ų5349%0.48727%0.268SS..Hα-helixtrans-64.8-35.6-173.771.5-89.3000111.2I103 A110 Y111I103-F107 WeakPolarHBondContact O-CA 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.23Å; I103-F107 PolarHBondContact O-N 2.88Å; F107-A110 WeakPolarHBondContact O-CB 3.44Å; F107-A110 PolarHBondContact O-N 2.97Å; F107-Y111 HydrophobicContact CD2-CD2 4.1Å; F107-Y111 HydrophobicContact CD2-CE2 4.04Å; F107-Y111 WeakPolarHBondContact O-CD2 3.28Å; F107-Y111 PolarHBondContact O-N 3.38Å
108E94.8Very high96.5Very high61 Ų6148.2 Ų48.229%0.28524%0.235SC..Hα-helixtrans-59.6-44.9174.964.1-67.7157.900111.8N106 A110 Y111 F112N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 WeakPolarHBondContact CA-OE1 3.27Å; N106-E108 PolarHBondContact O-N 3.33Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 3.01Å; E108-Y111 CarbonylContact O-C 3.56Å; E108-Y111 WeakPolarHBondContact O-CA 3.36Å; E108-Y111 WeakPolarHBondContact O-CB 3.28Å; E108-Y111 PolarHBondContact O-N 2.88Å; E108-F112 HydrophobicContact CB-CE2 4.46Å; E108-F112 HydrophobicContact CB-CZ 4.37Å; E108-F112 VanDerWaalsContact O-CG 3.3Å; E108-F112 WeakPolarHBondContact O-CG 3.46Å; E108-F112 PolarHBondContact O-N 3.44Å
109K95.4Very high96.5Very high32 Ų3252.5 Ų52.514%0.13925%0.254CS..Hα-helixtrans-63-37.7175.3-60.9-57.7-169.7178.10111.3Y94 F95 N106 Y111 F112 I113 D139Y94-K109 HydrophobicContact CE1-CB 4.04Å; Y94-K109 HydrophobicContact CE1-CG 4.43Å; F95-K109 HydrophobicContact CZ-CB 4.22Å; N106-K109 HydrophobicContact CB-CB 4.2Å; N106-K109 HydrophobicContact CB-CG 4.2Å; N106-K109 PolarHBondContact O-N 3.05Å; K109-Y111 VanDerWaalsContact C-N 3.32Å; K109-Y111 PolarHBondContact O-N 3.08Å; K109-F112 HydrophobicContact CD-CD2 3.9Å; K109-F112 HydrophobicContact CD-CE2 4.27Å; K109-F112 PolarHBondContact O-N 2.98Å; K109-I113 WeakPolarHBondContact O-CD1 3.29Å; K109-I113 VanDerWaalsContact O-CG1 3.23Å; K109-I113 WeakPolarHBondContact O-CG1 3.04Å; K109-I113 PolarHBondContact O-N 3.19Å; K109-D139 IonicContact NZ-OD1 2.89Å; K109-D139 PolarHBondContact NZ-OD1 3.38Å
110A97.5Very high96.6Very high0 Ų051.9 Ų51.90%026%0.258CS..Hα-helixtrans-63.9-35.2173.200000112.9L16 L91 I103 N106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.15Å; L91-A110 HydrophobicContact CD2-CB 4.08Å; I103-A110 HydrophobicContact CG2-CB 4.28Å; N106-A110 PolarHBondContact O-N 3.11Å; F107-A110 WeakPolarHBondContact O-CB 3.44Å; F107-A110 PolarHBondContact O-N 2.97Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 3.01Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.2Å; A110-L114 VanDerWaalsContact O-N 3.11Å
111Y97.8Very high96.6Very high53 Ų5350.4 Ų50.421%0.20825%0.252CS..Hα-helixtrans-68.5-41.1171.2-81.7-80.5000112.1L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.25Å; L16-Y111 HydrophobicContact CD1-CD2 4.25Å; L16-Y111 HydrophobicContact CD1-CE1 4.27Å; L16-Y111 HydrophobicContact CD1-CE2 4.25Å; L16-Y111 HydrophobicContact CD1-CG 4.24Å; L16-Y111 HydrophobicContact CD2-CE1 4.07Å; L16-Y111 HydrophobicContact CG-CD1 4.24Å; L16-Y111 HydrophobicContact CG-CD2 4.45Å; L16-Y111 HydrophobicContact CG-CE1 3.76Å; L16-Y111 HydrophobicContact CG-CE2 3.98Å; Q17-Y111 PolarHBondContact N-OH 3.09Å; Q17-Y111 PolarHBondContact O-OH 3.24Å; K18-Y111 HydrophobicContact CD-CD1 4.34Å; K18-Y111 HydrophobicContact CD-CE1 4.45Å; F107-Y111 HydrophobicContact CD2-CD2 4.1Å; F107-Y111 HydrophobicContact CD2-CE2 4.04Å; F107-Y111 WeakPolarHBondContact O-CD2 3.28Å; F107-Y111 PolarHBondContact O-N 3.38Å; E108-Y111 CarbonylContact O-C 3.56Å; E108-Y111 WeakPolarHBondContact O-CA 3.36Å; E108-Y111 WeakPolarHBondContact O-CB 3.28Å; E108-Y111 PolarHBondContact O-N 2.88Å; K109-Y111 VanDerWaalsContact C-N 3.32Å; K109-Y111 PolarHBondContact O-N 3.08Å; Y111-L114 WeakPolarHBondContact O-CB 3.34Å; Y111-L114 PolarHBondContact O-N 3.46Å; Y111-D115 WeakPolarHBondContact O-CB 3.29Å; Y111-D115 VanDerWaalsContact O-CG 3.23Å; Y111-D115 PolarHBondContact O-N 2.96Å
112F96.9Very high96.6Very high95 Ų9550.3 Ų50.342%0.41725%0.249SC..Hα-helixtrans-63-46.1178-60.5-23000111.8E108 K109 L114 D115 E116 I135E108-F112 HydrophobicContact CB-CE2 4.46Å; E108-F112 HydrophobicContact CB-CZ 4.37Å; E108-F112 VanDerWaalsContact O-CG 3.3Å; E108-F112 WeakPolarHBondContact O-CG 3.46Å; E108-F112 PolarHBondContact O-N 3.44Å; K109-F112 HydrophobicContact CD-CD2 3.9Å; K109-F112 HydrophobicContact CD-CE2 4.27Å; K109-F112 PolarHBondContact O-N 2.98Å; F112-L114 VanDerWaalsContact C-N 3.26Å; F112-L114 PolarHBondContact O-N 3.24Å; F112-D115 PolarHBondContact O-N 3.42Å; F112-D115 VanDerWaalsContact O-N 3.15Å; F112-E116 PolarHBondContact O-N 3.32Å; F112-I135 HydrophobicContact CB-CD1 4.25Å; F112-I135 WeakPolarHBondContact O-CD1 3.42Å
113I97.6Very high96.6Very high0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-59.9-40.5174.8-63.1161.4000110.8F87 L90 L91 Y94 F95 K109 D115 F117 I135F87-I113 HydrophobicContact CD2-CG2 4.36Å; F87-I113 HydrophobicContact CE2-CB 4.38Å; F87-I113 HydrophobicContact CE2-CG2 3.97Å; L90-I113 HydrophobicContact CB-CG2 3.83Å; L90-I113 HydrophobicContact CD1-CG2 4.48Å; L91-I113 HydrophobicContact CD2-CD1 4Å; Y94-I113 HydrophobicContact CD1-CD1 3.56Å; Y94-I113 HydrophobicContact CD2-CD1 4.17Å; Y94-I113 HydrophobicContact CE1-CD1 4.12Å; Y94-I113 HydrophobicContact CG-CD1 3.57Å; Y94-I113 HydrophobicContact CG-CG1 4.44Å; F95-I113 HydrophobicContact CE2-CD1 4.31Å; K109-I113 WeakPolarHBondContact O-CD1 3.29Å; K109-I113 VanDerWaalsContact O-CG1 3.23Å; K109-I113 WeakPolarHBondContact O-CG1 3.04Å; K109-I113 PolarHBondContact O-N 3.19Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-F117 WeakPolarHBondContact O-CB 3.13Å; I113-F117 PolarHBondContact O-N 2.88Å; I113-I135 HydrophobicContact CG1-CD1 4.34Å; I113-I135 HydrophobicContact CG1-CG1 4.18Å; I113-I135 HydrophobicContact CG1-CG2 4.24Å
114L97.9Very high96.6Very high0 Ų055.2 Ų55.20%027%0.272CS..Hα-helixtrans-65.6-39.4177.7-174.562.1000111.6M5 L16 K18 F87 A110 Y111 F112 F117 L118M5-L114 HydrophobicContact SD-CD1 3.8Å; M5-L114 HydrophobicContact SD-CD2 4.42Å; L16-L114 HydrophobicContact CD1-CD2 4.32Å; L16-L114 HydrophobicContact CD2-CD2 3.67Å; K18-L114 HydrophobicContact CB-CD2 3.68Å; K18-L114 HydrophobicContact CG-CD2 4.02Å; F87-L114 HydrophobicContact CD1-CD1 4.31Å; F87-L114 HydrophobicContact CD2-CD1 3.92Å; F87-L114 HydrophobicContact CE1-CD1 4.16Å; F87-L114 HydrophobicContact CE2-CB 3.68Å; F87-L114 HydrophobicContact CE2-CD1 3.8Å; F87-L114 HydrophobicContact CE2-CG 4.33Å; F87-L114 HydrophobicContact CG-CD1 4.19Å; F87-L114 HydrophobicContact CZ-CB 3.81Å; F87-L114 HydrophobicContact CZ-CD1 3.91Å; F87-L114 HydrophobicContact CZ-CG 4.32Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.2Å; A110-L114 VanDerWaalsContact O-N 3.11Å; Y111-L114 WeakPolarHBondContact O-CB 3.34Å; Y111-L114 PolarHBondContact O-N 3.46Å; F112-L114 VanDerWaalsContact C-N 3.26Å; F112-L114 PolarHBondContact O-N 3.24Å; L114-F117 PolarHBondContact O-N 2.97Å; L114-L118 HydrophobicContact CD1-CD1 3.81Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 PolarHBondContact O-N 3.49Å
115D97.2Very high96.5Very high55 Ų5554.3 Ų54.329%0.29427%0.267SS..Hα-helixtrans-75-30.4-177-73.8-2.5000112.4K18 Y111 F112 I113 F117K18-D115 WeakPolarHBondContact CE-OD1 3.49Å; K18-D115 IonicContact NZ-OD1 3.57Å; K18-D115 PolarHBondContact NZ-OD1 2.95Å; K18-D115 IonicContact NZ-OD2 2.64Å; K18-D115 PolarHBondContact NZ-OD2 2.78Å; Y111-D115 WeakPolarHBondContact O-CB 3.29Å; Y111-D115 VanDerWaalsContact O-CG 3.23Å; Y111-D115 PolarHBondContact O-N 2.96Å; F112-D115 PolarHBondContact O-N 3.42Å; F112-D115 VanDerWaalsContact O-N 3.15Å; I113-D115 VanDerWaalsContact C-N 3.34Å; D115-F117 VanDerWaalsContact C-N 3.28Å
116E96.9Very high96.4Very high58 Ų5852.5 Ų52.527%0.27127%0.268SS..Hα-helixtrans-73.5-24.2171.4-167.757-143.700112.2F112 V131 A134 I135F112-E116 PolarHBondContact O-N 3.32Å; E116-V131 HydrophobicContact CB-CG1 4.1Å; E116-V131 HydrophobicContact CG-CB 4.47Å; E116-V131 HydrophobicContact CG-CG1 3.94Å; E116-A134 HydrophobicContact CG-CB 3.81Å; E116-A134 WeakPolarHBondContact OE1-CB 3.49Å; E116-I135 HydrophobicContact CB-CD1 3.65Å; E116-I135 HydrophobicContact CB-CG1 4.14Å; E116-I135 HydrophobicContact CG-CD1 4.12Å; E116-I135 HydrophobicContact CG-CG1 4.26Å
117F97.9Very high96.5Very high4 Ų452 Ų522%0.01827%0.27CS..Hα-helixtrans-89.9-43.2178.7177.3-136.2000113.3I83 R86 F87 L90 I113 L114 D115 I123 Q124 D125 V131I83-F117 HydrophobicContact CG2-CE1 3.72Å; I83-F117 HydrophobicContact CG2-CZ 3.99Å; R86-F117 HydrophobicContact CB-CE1 4.34Å; R86-F117 HydrophobicContact CB-CZ 3.86Å; R86-F117 HydrophobicContact CG-CE1 4.19Å; R86-F117 HydrophobicContact CG-CE2 3.74Å; R86-F117 HydrophobicContact CG-CZ 3.53Å; F87-F117 HydrophobicContact CB-CD1 4.14Å; F87-F117 HydrophobicContact CB-CE1 4.04Å; F87-F117 HydrophobicContact CD2-CD1 4.29Å; L90-F117 HydrophobicContact CD1-CB 3.89Å; L90-F117 HydrophobicContact CD1-CD1 4.04Å; L90-F117 HydrophobicContact CD1-CD2 4.07Å; L90-F117 HydrophobicContact CD1-CG 3.72Å; I113-F117 WeakPolarHBondContact O-CB 3.13Å; I113-F117 PolarHBondContact O-N 2.88Å; L114-F117 PolarHBondContact O-N 2.97Å; D115-F117 VanDerWaalsContact C-N 3.28Å; F117-I123 HydrophobicContact CE2-CG2 4.05Å; F117-Q124 PolarHBondContact O-N 2.62Å; F117-D125 WeakPolarHBondContact CD2-O 3.41Å; F117-V131 HydrophobicContact CB-CG1 4.42Å
118L97.3Very high96.4Very high2 Ų250.2 Ų50.21%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-126.5129.1-173.8-64.7-177000111.1M2 Y20 I83 L114 E122 I123M2-L118 HydrophobicContact CE-CD1 4.28Å; M2-L118 HydrophobicContact SD-CD1 4.41Å; Y20-L118 WeakPolarHBondContact OH-CB 3.47Å; Y20-L118 WeakPolarHBondContact OH-CD1 3.43Å; I83-L118 HydrophobicContact CG2-CD1 3.98Å; I83-L118 HydrophobicContact CG2-CD2 3.99Å; I83-L118 HydrophobicContact CG2-CG 4.49Å; L114-L118 HydrophobicContact CD1-CD1 3.81Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 PolarHBondContact O-N 3.49Å; L118-E122 WeakPolarHBondContact CA-O 3.4Å; L118-I123 HydrophobicContact CD2-CB 4.36Å; L118-I123 HydrophobicContact CD2-CG1 3.93Å
119M96.5Very high96.5Very high125 Ų12555.7 Ų55.762%0.61629%0.285SS*.EExtended strand (participates in β ladder)trans-131.9133.5176.6-169.3176.2-74.700110.4G121 E122 Q124M119-G121 PolarHBondContact O-N 3.41Å; M119-G121 VanDerWaalsContact O-N 3.09Å; M119-E122 PolarHBondContact N-O 2.95Å; M119-E122 PolarHBondContact O-N 3.32Å; M119-Q124 HydrophobicContact CB-CB 4.34Å
120G96Very high96.6Very high45 Ų4556.6 Ų56.646%0.46430%0.295SS..THydrogen-bonded Turntrans5925178.200000114.5M1 E122M1-G120 WeakPolarHBondContact CE-O 3.46Å; G120-E122 VanDerWaalsContact C-N 3.33Å
121G96Very high96.5Very high3 Ų356.6 Ų56.63%0.03130%0.295CS..THydrogen-bonded Turntrans81.111.4-178.800000114.7M2 Y20 M119M2-G121 VanDerWaalsContact CB-O 3.23Å; M2-G121 WeakPolarHBondContact CB-O 3.27Å; M2-G121 PolarHBondContact N-O 2.91Å; M2-G121 WeakPolarHBondContact O-CA 3.02Å; Y20-G121 VanDerWaalsContact CG-CA 3.42Å; Y20-G121 VanDerWaalsContact CG-N 3.29Å; M119-G121 PolarHBondContact O-N 3.41Å; M119-G121 VanDerWaalsContact O-N 3.09Å
122E96.2Very high96.4Very high100 Ų10055.6 Ų55.647%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-127.6162.4178.1-60.8-61.5162.300110.8M1 L118 M119 G120 Q124M1-E122 WeakPolarHBondContact CA-OE1 3.21Å; M1-E122 WeakPolarHBondContact CB-OE1 3.47Å; L118-E122 WeakPolarHBondContact CA-O 3.4Å; M119-E122 PolarHBondContact N-O 2.95Å; M119-E122 PolarHBondContact O-N 3.32Å; G120-E122 VanDerWaalsContact C-N 3.33Å; E122-Q124 PolarHBondContact O-N 2.68Å
123I96.6Very high96.4Very high66 Ų6657 Ų5734%0.33830%0.299SS..EExtended strand (participates in β ladder)trans-72.8125.2176.2-56.6174.1000109.5I83 F117 L118 D125 T126I83-I123 HydrophobicContact CD1-CD1 3.67Å; I83-I123 HydrophobicContact CD1-CG1 3.68Å; I83-I123 HydrophobicContact CG1-CD1 3.59Å; I83-I123 HydrophobicContact CG1-CG1 3.91Å; F117-I123 HydrophobicContact CE2-CG2 4.05Å; L118-I123 HydrophobicContact CD2-CB 4.36Å; L118-I123 HydrophobicContact CD2-CG1 3.93Å; I123-D125 WeakPolarHBondContact CG2-O 3.38Å; I123-T126 HydrophobicContact CG2-CG2 3.98Å
124Q96.6Very high96.3Very high85 Ų8558.1 Ų58.140%0.39731%0.308SS..SBendtrans-85.1-50.3172.7172.7176.3-42.800111.3F117 M119 E122F117-Q124 PolarHBondContact O-N 2.62Å; M119-Q124 HydrophobicContact CB-CB 4.34Å; E122-Q124 PolarHBondContact O-N 2.68Å
125D94.7Very high96.2Very high38 Ų3858.5 Ų58.520%0.20331%0.31CS..  trans-132.1133.2-177.4-162.5-31.2000111F117 I123 S127 S130 V131F117-D125 WeakPolarHBondContact CD2-O 3.41Å; I123-D125 WeakPolarHBondContact CG2-O 3.38Å; D125-S127 WeakPolarHBondContact OD1-CB 3.4Å; D125-S127 PolarHBondContact OD1-N 3.13Å; D125-S130 WeakPolarHBondContact OD2-CB 3.46Å; D125-S130 PolarHBondContact OD2-OG 3.46Å; D125-V131 HydrophobicContact CB-CG2 3.84Å
126T94.9Very high96Very high110 Ų11061.8 Ų61.868%0.67532%0.324SS*.  trans-94.9-8.3-179.559.80000112.8R86 I123R86-T126 PolarHBondContact NH1-O 3.32Å; I123-T126 HydrophobicContact CG2-CG2 3.98Å
127S96.1Very high95.9Very high50 Ų5064 Ų6435%0.3533%0.334SS..  trans-95.1114.3-178.6178.60000111.4D125 K129 S130 V131D125-S127 WeakPolarHBondContact OD1-CB 3.4Å; D125-S127 PolarHBondContact OD1-N 3.13Å; S127-K129 PolarHBondContact O-N 3.49Å; S127-S130 PolarHBondContact O-N 3.49Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact OG-N 3.39Å; S127-V131 PolarHBondContact O-N 2.88Å
128K94.6Very high95.7Very high72 Ų7266.2 Ų66.231%0.31335%0.354SS..Hα-helixtrans-52.5-42.2172.4-77.9-173-75.6-164.70112.6E89 L90 S130 L132E89-K128 HydrophobicContact CB-CD 4Å; E89-K128 IonicContact OE1-NZ 2.73Å; E89-K128 PolarHBondContact OE1-NZ 3.01Å; E89-K128 WeakPolarHBondContact OE2-CD 3.39Å; E89-K128 WeakPolarHBondContact OE2-CE 3.14Å; E89-K128 IonicContact OE2-NZ 3.78Å; E89-K128 PolarHBondContact OE2-NZ 2.9Å; L90-K128 HydrophobicContact CD2-CB 4.22Å; L90-K128 HydrophobicContact CD2-CG 4.06Å; K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 3.37Å; K128-L132 WeakPolarHBondContact O-CB 3.4Å; K128-L132 WeakPolarHBondContact O-CD1 3.33Å; K128-L132 VanDerWaalsContact O-CG 3.23Å; K128-L132 WeakPolarHBondContact O-CG 3.48Å; K128-L132 PolarHBondContact O-N 3.44Å
129K95.6Very high95.4Very high177 Ų17767.2 Ų67.277%0.7736%0.359SS*.Hα-helixtrans-66.3-36.3-176.4-66.5-176.3179.3-178.90111.7S127 K133S127-K129 PolarHBondContact O-N 3.49Å; K129-K133 VanDerWaalsContact O-CB 3.26Å; K129-K133 WeakPolarHBondContact O-CB 3.44Å; K129-K133 PolarHBondContact O-N 3Å; K129-K133 VanDerWaalsContact O-N 3.15Å
130S96.9Very high95.3Very high50 Ų5065.6 Ų65.635%0.3535%0.352SS..Hα-helixtrans-68.7-53179.9-171.70000110.3D125 S127 K128 L132 K133 A134D125-S130 WeakPolarHBondContact OD2-CB 3.46Å; D125-S130 PolarHBondContact OD2-OG 3.46Å; S127-S130 PolarHBondContact O-N 3.49Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact OG-N 3.39Å; K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 3.37Å; S130-L132 PolarHBondContact O-N 3.31Å; S130-K133 PolarHBondContact O-N 3.17Å; S130-K133 VanDerWaalsContact O-N 3.16Å; S130-A134 PolarHBondContact O-N 3Å
131V96.9Very high95Very high1 Ų168.3 Ų68.31%0.00636%0.355CS..Hα-helixtrans-55.1-50.4177.3176.50000111.5L90 E116 F117 D125 S127 K133 A134 I135L90-V131 HydrophobicContact CD1-CG1 3.96Å; L90-V131 HydrophobicContact CD2-CB 3.98Å; L90-V131 HydrophobicContact CD2-CG1 3.88Å; E116-V131 HydrophobicContact CB-CG1 4.1Å; E116-V131 HydrophobicContact CG-CB 4.47Å; E116-V131 HydrophobicContact CG-CG1 3.94Å; F117-V131 HydrophobicContact CB-CG1 4.42Å; D125-V131 HydrophobicContact CB-CG2 3.84Å; S127-V131 PolarHBondContact O-N 2.88Å; V131-K133 VanDerWaalsContact C-N 3.31Å; V131-K133 PolarHBondContact O-N 2.91Å; V131-A134 PolarHBondContact O-N 3.01Å; V131-I135 WeakPolarHBondContact O-CG1 3.13Å; V131-I135 PolarHBondContact O-N 3.1Å
132L95.5Very high94.6Very high32 Ų3271.6 Ų71.617%0.16837%0.37CS..Hα-helixtrans-63.1-37.9-178.8-70.9164.2000112.8L90 K93 K128 S130 I135 E136L90-L132 HydrophobicContact CD2-CD1 4.37Å; L90-L132 HydrophobicContact CD2-CD2 4.24Å; L90-L132 HydrophobicContact CD2-CG 3.9Å; K93-L132 HydrophobicContact CB-CD1 3.89Å; K93-L132 HydrophobicContact CB-CD2 4.21Å; K93-L132 HydrophobicContact CG-CD1 3.33Å; K93-L132 HydrophobicContact CG-CD2 4.22Å; K93-L132 HydrophobicContact CG-CG 4.42Å; K128-L132 WeakPolarHBondContact O-CB 3.4Å; K128-L132 WeakPolarHBondContact O-CD1 3.33Å; K128-L132 VanDerWaalsContact O-CG 3.23Å; K128-L132 WeakPolarHBondContact O-CG 3.48Å; K128-L132 PolarHBondContact O-N 3.44Å; S130-L132 PolarHBondContact O-N 3.31Å; L132-I135 PolarHBondContact O-N 3.29Å; L132-E136 WeakPolarHBondContact O-CB 3.2Å; L132-E136 PolarHBondContact O-N 3.3Å
133K96.7Very high94.2Very high124 Ų12473.2 Ų73.254%0.53938%0.378SS..Hα-helixtrans-66.8-40177.2-175.7-178.4177.9-173.10111.4K129 S130 V131 E136 Q137K129-K133 VanDerWaalsContact O-CB 3.26Å; K129-K133 WeakPolarHBondContact O-CB 3.44Å; K129-K133 PolarHBondContact O-N 3Å; K129-K133 VanDerWaalsContact O-N 3.15Å; S130-K133 PolarHBondContact O-N 3.17Å; S130-K133 VanDerWaalsContact O-N 3.16Å; V131-K133 VanDerWaalsContact C-N 3.31Å; V131-K133 PolarHBondContact O-N 2.91Å; K133-E136 PolarHBondContact O-N 3.34Å; K133-Q137 WeakPolarHBondContact O-CB 3.22Å; K133-Q137 VanDerWaalsContact O-CG 3.28Å; K133-Q137 WeakPolarHBondContact O-CG 3.42Å; K133-Q137 PolarHBondContact O-N 3.2Å
134A95.9Very high93.5Very high24 Ų2476.1 Ų76.120%0.19839%0.39CS..Hα-helixtrans-64.2-43.117700000111.3E116 S130 V131 Q137 A138E116-A134 HydrophobicContact CG-CB 3.81Å; E116-A134 WeakPolarHBondContact OE1-CB 3.49Å; S130-A134 PolarHBondContact O-N 3Å; V131-A134 PolarHBondContact O-N 3.01Å; A134-Q137 PolarHBondContact O-N 3.38Å; A134-A138 WeakPolarHBondContact O-CB 3.29Å; A134-A138 PolarHBondContact O-N 3.49Å
135I94.9Very high92.7Very high7 Ų777.8 Ų77.84%0.03640%0.401CS..Hα-helixtrans-62.8-44.9174.5-63.2-62000111.6Y94 F112 I113 E116 V131 L132 Q137 A138 D139Y94-I135 HydrophobicContact CD2-CG2 3.83Å; Y94-I135 HydrophobicContact CE2-CG2 3.43Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.43Å; F112-I135 HydrophobicContact CB-CD1 4.25Å; F112-I135 WeakPolarHBondContact O-CD1 3.42Å; I113-I135 HydrophobicContact CG1-CD1 4.34Å; I113-I135 HydrophobicContact CG1-CG1 4.18Å; I113-I135 HydrophobicContact CG1-CG2 4.24Å; E116-I135 HydrophobicContact CB-CD1 3.65Å; E116-I135 HydrophobicContact CB-CG1 4.14Å; E116-I135 HydrophobicContact CG-CD1 4.12Å; E116-I135 HydrophobicContact CG-CG1 4.26Å; V131-I135 WeakPolarHBondContact O-CG1 3.13Å; V131-I135 PolarHBondContact O-N 3.1Å; L132-I135 PolarHBondContact O-N 3.29Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.01Å; I135-A138 PolarHBondContact O-N 2.95Å; I135-D139 PolarHBondContact O-N 3.5Å
136E94.4Very high91.8Very high124 Ų12482.2 Ų82.258%0.57942%0.421SS*.Hα-helixtrans-60.2-40.8177.2-176.2179.6-165.500111.9L132 K133 D139 L140L132-E136 WeakPolarHBondContact O-CB 3.2Å; L132-E136 PolarHBondContact O-N 3.3Å; K133-E136 PolarHBondContact O-N 3.34Å; E136-D139 PolarHBondContact O-N 3.4Å; E136-L140 WeakPolarHBondContact O-CG 3.48Å; E136-L140 PolarHBondContact O-N 3.28Å; E136-L140 VanDerWaalsContact O-N 3.08Å
137Q94.3Very high90.8Very high104 Ų10478.8 Ų78.849%0.48640%0.401SS..Hα-helixtrans-66.4-39.6175.1-72.8177.9-2600112.4K133 A134 I135 L140 L141K133-Q137 WeakPolarHBondContact O-CB 3.22Å; K133-Q137 VanDerWaalsContact O-CG 3.28Å; K133-Q137 WeakPolarHBondContact O-CG 3.42Å; K133-Q137 PolarHBondContact O-N 3.2Å; A134-Q137 PolarHBondContact O-N 3.38Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.01Å; Q137-L140 PolarHBondContact O-N 3.46Å; Q137-L141 WeakPolarHBondContact O-CG 3.2Å; Q137-L141 PolarHBondContact O-N 3.09Å; Q137-L141 VanDerWaalsContact O-N 3.15Å
138A92.6Very high89.5Confident52 Ų5281.2 Ų81.243%0.4342%0.416SS..Hα-helixtrans-66.1-39.1176.500000112A134 I135 L141 Q142A134-A138 WeakPolarHBondContact O-CB 3.29Å; A134-A138 PolarHBondContact O-N 3.49Å; I135-A138 PolarHBondContact O-N 2.95Å; A138-L141 PolarHBondContact O-N 3.46Å; A138-Q142 PolarHBondContact O-N 3.03Å
139D92.3Very high88.2Confident23 Ų2386.5 Ų86.512%0.12343%0.434CS..Hα-helixtrans-64.1-43.9176-74.7-18.8000111.5Y94 K109 I135 E136 L141 Q142 E143Y94-D139 VanDerWaalsContact CE2-OD2 3.23Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D139 PolarHBondContact OH-OD2 2.93Å; K109-D139 IonicContact NZ-OD1 2.89Å; K109-D139 PolarHBondContact NZ-OD1 3.38Å; I135-D139 PolarHBondContact O-N 3.5Å; E136-D139 PolarHBondContact O-N 3.4Å; D139-L141 PolarHBondContact O-N 2.88Å; D139-Q142 WeakPolarHBondContact O-CB 3.37Å; D139-Q142 PolarHBondContact O-N 3.05Å; D139-E143 WeakPolarHBondContact O-CG 3.32Å; D139-E143 PolarHBondContact O-N 3.23Å
140L92.8Very high86.6Confident90 Ų9079.2 Ų79.247%0.47141%0.405SS..Hα-helixtrans-60.5-42.5176.3-72.8170.4000112.6E136 Q137 Q142 E143 E144E136-L140 WeakPolarHBondContact O-CG 3.48Å; E136-L140 PolarHBondContact O-N 3.28Å; E136-L140 VanDerWaalsContact O-N 3.08Å; Q137-L140 PolarHBondContact O-N 3.46Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-E143 PolarHBondContact O-N 3.02Å; L140-E144 WeakPolarHBondContact O-CG 3.34Å; L140-E144 PolarHBondContact O-N 3.4Å
141L90.6Very high85.2Confident102 Ų10279.6 Ų79.653%0.53441%0.406SS..Hα-helixtrans-64.2-41.1176.5-71.8168.6000111.5Q137 A138 D139 E143 E144 D145Q137-L141 WeakPolarHBondContact O-CG 3.2Å; Q137-L141 PolarHBondContact O-N 3.09Å; Q137-L141 VanDerWaalsContact O-N 3.15Å; A138-L141 PolarHBondContact O-N 3.46Å; D139-L141 PolarHBondContact O-N 2.88Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 2.88Å; L141-E144 PolarHBondContact O-N 2.95Å; L141-D145 PolarHBondContact O-N 2.88Å; L141-D145 VanDerWaalsContact O-N 3.11Å
142Q87.5Confident83.9Confident73 Ų7383.4 Ų83.434%0.34143%0.425SS..Hα-helixtrans-62.1-40.4176.1-167.4-170.6-28.700111.4A138 D139 L140 D145 E146A138-Q142 PolarHBondContact O-N 3.03Å; D139-Q142 WeakPolarHBondContact O-CB 3.37Å; D139-Q142 PolarHBondContact O-N 3.05Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-D145 PolarHBondContact O-N 2.9Å; Q142-E146 PolarHBondContact NE2-OE1 2.88Å; Q142-E146 WeakPolarHBondContact O-CG 3.23Å; Q142-E146 PolarHBondContact O-N 3.28Å; Q142-E146 VanDerWaalsContact O-N 3.13Å
143E87.3Confident82.7Confident134 Ų13487.1 Ų87.163%0.62644%0.442SS*.Hα-helixtrans-66.9-35.8176.3-72.2-179-179.300113D139 L140 L141 E146 S147D139-E143 WeakPolarHBondContact O-CG 3.32Å; D139-E143 PolarHBondContact O-N 3.23Å; L140-E143 PolarHBondContact O-N 3.02Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 2.88Å; E143-E146 PolarHBondContact O-N 3.37Å; E143-S147 PolarHBondContact O-N 2.8Å
144E83.4Confident81.4Confident126 Ų12689.4 Ų89.459%0.58945%0.454SS*.Hα-helixtrans-63.6-43.9174.8-76.5-177.9172.700111.7L140 L141 E146 S147 S150L140-E144 WeakPolarHBondContact O-CG 3.34Å; L140-E144 PolarHBondContact O-N 3.4Å; L141-E144 PolarHBondContact O-N 2.95Å; E144-E146 VanDerWaalsContact C-N 3.35Å; E144-E146 PolarHBondContact O-N 3.44Å; E144-S147 VanDerWaalsContact O-CB 3.26Å; E144-S147 WeakPolarHBondContact O-CB 3.42Å; E144-S147 PolarHBondContact O-N 3.24Å; E144-S147 PolarHBondContact O-OG 2.77Å; E144-S150 PolarHBondContact O-OG 3.14Å
145D79.1Confident80.4Confident120 Ų12094.2 Ų94.264%0.64247%0.474SS*.Hα-helixtrans-66.5-35.2178.8-74.3-19.3000112.2L141 Q142 S147 S150L141-D145 PolarHBondContact O-N 2.88Å; L141-D145 VanDerWaalsContact O-N 3.11Å; Q142-D145 PolarHBondContact O-N 2.9Å; D145-S147 VanDerWaalsContact C-N 3.25Å; D145-S147 PolarHBondContact O-N 3.08Å; D145-S150 PolarHBondContact O-OG 3.47Å
146E76.1Confident79.2Confident131 Ų13197 Ų9761%0.61250%0.504SS*.THydrogen-bonded Turntrans-80.5-0.6177.4-69.8179.4-164.900113.6Q142 E143 E144Q142-E146 PolarHBondContact NE2-OE1 2.88Å; Q142-E146 WeakPolarHBondContact O-CG 3.23Å; Q142-E146 PolarHBondContact O-N 3.28Å; Q142-E146 VanDerWaalsContact O-N 3.13Å; E143-E146 PolarHBondContact O-N 3.37Å; E144-E146 VanDerWaalsContact C-N 3.35Å; E144-E146 PolarHBondContact O-N 3.44Å
147S74.4Confident78.2Confident38 Ų3896.6 Ų96.627%0.26651%0.506SS..SBendtrans-66144.7-178.679.50000112.1E143 E144 D145 R149 S150 V151E143-S147 PolarHBondContact O-N 2.8Å; E144-S147 VanDerWaalsContact O-CB 3.26Å; E144-S147 WeakPolarHBondContact O-CB 3.42Å; E144-S147 PolarHBondContact O-N 3.24Å; E144-S147 PolarHBondContact O-OG 2.77Å; D145-S147 VanDerWaalsContact C-N 3.25Å; D145-S147 PolarHBondContact O-N 3.08Å; S147-R149 PolarHBondContact O-N 3.33Å; S147-S150 PolarHBondContact N-OG 3.28Å; S147-S150 PolarHBondContact O-N 3Å; S147-S150 PolarHBondContact O-OG 2.88Å; S147-S150 PolarHBondContact OG-N 2.9Å; S147-S150 PolarHBondContact OG-OG 2.83Å; S147-S150 VanDerWaalsContact OG-OG 3.07Å; S147-V151 WeakPolarHBondContact O-CG2 3.01Å; S147-V151 PolarHBondContact O-N 3.19Å
148P67.7Low76.5Confident102 Ų10297.5 Ų97.566%0.66253%0.531SS*.Hα-helixtrans-57.7-27179.5-2432.3000112.8L152P148-L152 VanDerWaalsContact O-CB 3.29Å; P148-L152 WeakPolarHBondContact O-CB 3.07Å; P148-L152 VanDerWaalsContact O-CD1 3.28Å; P148-L152 WeakPolarHBondContact O-CD1 3.38Å; P148-L152 WeakPolarHBondContact O-CG 3.5Å; P148-L152 PolarHBondContact O-N 3.1Å
149R67.4Low75.7Confident183 Ų18399.8 Ų99.869%0.69154%0.536SS*.Hα-helixtrans-74.5-44.3-178.6-170.4177.5177.1168.32.8112S147 V151 L152 E153S147-R149 PolarHBondContact O-N 3.33Å; R149-V151 VanDerWaalsContact C-N 3.34Å; R149-L152 PolarHBondContact O-N 2.85Å; R149-E153 IonicContact NE-OE1 2.68Å; R149-E153 PolarHBondContact NE-OE1 2.91Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 WeakPolarHBondContact O-CG 3.28Å; R149-E153 PolarHBondContact O-N 2.89Å
150S62.7Low74.8Confident23 Ų23103.8 Ų103.816%0.16156%0.558CS.*Hα-helixtrans-62.5-43.5174.351.30000110.6E144 D145 S147 L152 E153 E154E144-S150 PolarHBondContact O-OG 3.14Å; D145-S150 PolarHBondContact O-OG 3.47Å; S147-S150 PolarHBondContact N-OG 3.28Å; S147-S150 PolarHBondContact O-N 3Å; S147-S150 PolarHBondContact O-OG 2.88Å; S147-S150 PolarHBondContact OG-N 2.9Å; S147-S150 PolarHBondContact OG-OG 2.83Å; S147-S150 VanDerWaalsContact OG-OG 3.07Å; S150-L152 PolarHBondContact O-N 3.08Å; S150-E153 PolarHBondContact O-N 3.43Å; S150-E154 WeakPolarHBondContact O-CG 3.47Å; S150-E154 PolarHBondContact O-N 2.83Å
151V66.3Low73.8Confident59 Ų59104.6 Ų104.636%0.35856%0.562SS.*Hα-helixtrans-62.8-41.8177.4179.30000111.8S147 R149 E154 M155S147-V151 WeakPolarHBondContact O-CG2 3.01Å; S147-V151 PolarHBondContact O-N 3.19Å; R149-V151 VanDerWaalsContact C-N 3.34Å; V151-E154 PolarHBondContact O-N 2.66Å; V151-M155 HydrophobicContact CG1-CG 4.45Å; V151-M155 HydrophobicContact CG1-SD 3.93Å; V151-M155 WeakPolarHBondContact O-CB 3.34Å; V151-M155 WeakPolarHBondContact O-CG 3.22Å; V151-M155 PolarHBondContact O-N 3.02Å
152L69.2Low72.8Confident80 Ų80104.7 Ų104.742%0.41956%0.564SS.*Hα-helixtrans-68.5-37.4177.1-72.2168000112.4P148 R149 S150 M155 G156 L157P148-L152 VanDerWaalsContact O-CB 3.29Å; P148-L152 WeakPolarHBondContact O-CB 3.07Å; P148-L152 VanDerWaalsContact O-CD1 3.28Å; P148-L152 WeakPolarHBondContact O-CD1 3.38Å; P148-L152 WeakPolarHBondContact O-CG 3.5Å; P148-L152 PolarHBondContact O-N 3.1Å; R149-L152 PolarHBondContact O-N 2.85Å; S150-L152 PolarHBondContact O-N 3.08Å; L152-M155 PolarHBondContact O-N 3.11Å; L152-G156 PolarHBondContact O-N 3.27Å; L152-L157 HydrophobicContact CD2-CB 4.04Å; L152-L157 HydrophobicContact CD2-CD1 4.07Å; L152-L157 PolarHBondContact O-N 3.12Å
153E71.6Confident71.9Confident110 Ų110106.7 Ų106.751%0.51458%0.578SS.*Hα-helixtrans-64.7-43.3173.2-77.1173.4-168.400111.1R149 S150 M155 G156 A158R149-E153 IonicContact NE-OE1 2.68Å; R149-E153 PolarHBondContact NE-OE1 2.91Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 WeakPolarHBondContact O-CG 3.28Å; R149-E153 PolarHBondContact O-N 2.89Å; S150-E153 PolarHBondContact O-N 3.43Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.24Å; E153-G156 PolarHBondContact O-N 2.9Å; E153-G156 VanDerWaalsContact O-N 3.12Å; E153-A158 HydrophobicContact CB-CB 4.38Å; E153-A158 HydrophobicContact CG-CB 3.54Å
154E68.3Low70.9Confident172 Ų172104.9 Ų104.980%0.80458%0.575SS**Hα-helixtrans-64.9-35174.4-76.3-167.316000113.2S150 V151 G156S150-E154 WeakPolarHBondContact O-CG 3.47Å; S150-E154 PolarHBondContact O-N 2.83Å; V151-E154 PolarHBondContact O-N 2.66Å; E154-G156 PolarHBondContact O-N 2.75Å
155M75.8Confident70Confident125 Ų125103.4 Ų103.462%0.61657%0.574SS**THydrogen-bonded Turntrans-77.4-3175.6-69.4-1807400113.2V151 L152 E153 L157V151-M155 HydrophobicContact CG1-CG 4.45Å; V151-M155 HydrophobicContact CG1-SD 3.93Å; V151-M155 WeakPolarHBondContact O-CB 3.34Å; V151-M155 WeakPolarHBondContact O-CG 3.22Å; V151-M155 PolarHBondContact O-N 3.02Å; L152-M155 PolarHBondContact O-N 3.11Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.24Å; M155-L157 VanDerWaalsContact C-N 3.28Å; M155-L157 HydrophobicContact CB-CD1 3.87Å; M155-L157 HydrophobicContact CB-CG 4.01Å; M155-L157 HydrophobicContact CE-CD1 4.05Å; M155-L157 PolarHBondContact O-N 2.77Å; M155-L157 HydrophobicContact SD-CD1 4.44Å
156G70.3Confident69.3Low65 Ų65102.1 Ų102.167%0.6757%0.569SS**THydrogen-bonded Turntrans67.527.3-178.300000113.6L152 E153 E154L152-G156 PolarHBondContact O-N 3.27Å; E153-G156 PolarHBondContact O-N 2.9Å; E153-G156 VanDerWaalsContact O-N 3.12Å; E154-G156 PolarHBondContact O-N 2.75Å
157L72.4Confident68.7Low117 Ų11799.7 Ų99.761%0.61357%0.565SS**  trans-104.73.2-176.1-65.2174.7000113.3L152 M155L152-L157 HydrophobicContact CD2-CB 4.04Å; L152-L157 HydrophobicContact CD2-CD1 4.07Å; L152-L157 PolarHBondContact O-N 3.12Å; M155-L157 VanDerWaalsContact C-N 3.28Å; M155-L157 HydrophobicContact CB-CD1 3.87Å; M155-L157 HydrophobicContact CB-CG 4.01Å; M155-L157 HydrophobicContact CE-CD1 4.05Å; M155-L157 PolarHBondContact O-N 2.77Å; M155-L157 HydrophobicContact SD-CD1 4.44Å
158A58.2Low68.2Low122 Ų122105.3 Ų105.3100%1.00859%0.592SS**  trans-108.40-178.800000112.8E153E153-A158 HydrophobicContact CB-CB 4.38Å; E153-A158 HydrophobicContact CG-CB 3.54Å

Retrieved 158 of 158 residues in 34.7 ms (Link to these results)

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