A0A077YX82_TRITR Loading...

Protein mago nashi

AlphaFold DB , UniProt , Accession A0A077YX82, Species TRITR (Trichuris trichiura, Whipworm), 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
1M64.5Low91.1Very high159 Ų15945.8 Ų45.878%0.78322%0.22SC*.  0122.40-77.9166.6168.100106.9P66 E70M1-P66 HydrophobicContact CE-CB 4.28Å; M1-P66 HydrophobicContact SD-CB 4.36Å; M1-E70 HydrophobicContact CE-CB 4.04Å; M1-E70 HydrophobicContact CE-CG 4.42Å; M1-E70 WeakPolarHBondContact CE-OE2 3.34Å
2G78.5Confident91.2Very high39 Ų3946.2 Ų46.240%0.40222%0.221SC..  trans-71.1178.1175.700000111.4F4 D105G2-F4 PolarHBondContact O-N 3.1Å; G2-D105 VanDerWaalsContact CA-OD1 3.29Å; G2-D105 WeakPolarHBondContact CA-OD1 3.35Å
3R90Very high90.9Very high169 Ų16958.3 Ų58.364%0.63826%0.263SS*.  trans-57.7135.4178.7-173177.3176.9-177.8-3.4109.5R73 D105R3-R73 PolarHBondContact O-NH1 2.99Å; R3-D105 PolarHBondContact O-N 3.36Å
4F95.3Very high90.3Very high9 Ų956.5 Ų56.54%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-132.7132.8173.8-168.5-120.1000110.4G2 L6 V25 P27 V69 I72 R73 I102 V103 M104G2-F4 PolarHBondContact O-N 3.1Å; F4-L6 HydrophobicContact CE1-CB 4.13Å; F4-L6 HydrophobicContact CZ-CB 3.87Å; F4-L6 HydrophobicContact CZ-CD1 4.1Å; F4-V25 HydrophobicContact CD1-CG1 4.04Å; F4-V25 HydrophobicContact CE1-CB 4.28Å; F4-V25 HydrophobicContact CE1-CG1 3.98Å; F4-P27 WeakPolarHBondContact O-CA 3.4Å; F4-P27 WeakPolarHBondContact O-CG 3.31Å; F4-V69 HydrophobicContact CD1-CG1 3.7Å; F4-V69 HydrophobicContact CE1-CG1 4.3Å; F4-V69 HydrophobicContact CG-CG1 4.39Å; F4-I72 HydrophobicContact CE1-CB 4.49Å; F4-I72 HydrophobicContact CE1-CG2 3.89Å; F4-I72 HydrophobicContact CZ-CG2 3.71Å; F4-R73 HydrophobicContact CD1-CG 4.13Å; F4-R73 HydrophobicContact CD2-CG 3.51Å; F4-R73 HydrophobicContact CE1-CG 4.19Å; F4-R73 HydrophobicContact CE2-CG 3.6Å; F4-R73 HydrophobicContact CG-CG 3.8Å; F4-R73 HydrophobicContact CZ-CG 3.95Å; F4-I102 HydrophobicContact CE2-CG2 4.38Å; F4-V103 CarbonylContact C-O 3.55Å; F4-V103 WeakPolarHBondContact CA-O 3.39Å; F4-M104 HydrophobicContact CD2-CB 4.19Å; F4-M104 HydrophobicContact CD2-CG 4.09Å; F4-M104 HydrophobicContact CE2-CB 4.47Å; F4-M104 HydrophobicContact CE2-CG 4.47Å
5Y96.7Very high89.7Confident36 Ų3665.9 Ų65.914%0.14131%0.308CS..EExtended strand (participates in β ladder)trans-143.9138.8170.3178.8-110.1000108R7 E24 V25 E101 I102 V103Y5-R7 HydrophobicContact CE1-CB 3.99Å; Y5-E24 HydrophobicContact CE2-CG 3.64Å; Y5-E24 WeakPolarHBondContact CE2-OE1 3.43Å; Y5-E24 PolarHBondContact OH-OE1 2.79Å; Y5-V25 WeakPolarHBondContact CA-O 3.41Å; Y5-E101 HydrophobicContact CD1-CG 4.4Å; Y5-E101 HydrophobicContact CE1-CB 4.47Å; Y5-E101 HydrophobicContact CE1-CG 4.12Å; Y5-I102 WeakPolarHBondContact O-CA 3.26Å; Y5-V103 HydrophobicContact CD1-CG2 4.18Å; Y5-V103 PolarHBondContact N-O 3.09Å; Y5-V103 PolarHBondContact O-N 3.36Å
6L97.9Very high88.9Confident1 Ų171.4 Ų71.41%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-145.2129.9172.7-177.2148.7000109.1F4 F23 E24 V25 I72 V76 E101 I102 L141F4-L6 HydrophobicContact CE1-CB 4.13Å; F4-L6 HydrophobicContact CZ-CB 3.87Å; F4-L6 HydrophobicContact CZ-CD1 4.1Å; L6-F23 HydrophobicContact CD2-CD2 4.05Å; L6-F23 HydrophobicContact CD2-CE2 3.61Å; L6-E24 CarbonylContact O-C 3.6Å; L6-E24 VanDerWaalsContact O-CA 3.27Å; L6-E24 WeakPolarHBondContact O-CA 3.29Å; L6-V25 HydrophobicContact CB-CB 4.37Å; L6-V25 PolarHBondContact N-O 2.84Å; L6-V25 VanDerWaalsContact N-O 3.15Å; L6-V25 PolarHBondContact O-N 2.94Å; L6-I72 HydrophobicContact CD1-CG2 4.1Å; L6-V76 HydrophobicContact CD1-CG2 3.83Å; L6-E101 CarbonylContact C-O 3.47Å; L6-E101 WeakPolarHBondContact CA-O 3.38Å; L6-I102 HydrophobicContact CD1-CD1 3.96Å; L6-I102 HydrophobicContact CD1-CG1 4.14Å; L6-I102 HydrophobicContact CG-CD1 4.49Å; L6-I102 HydrophobicContact CG-CG1 4.16Å; L6-L141 HydrophobicContact CD1-CD1 3.85Å; L6-L141 HydrophobicContact CD1-CD2 3.87Å; L6-L141 HydrophobicContact CD2-CD1 4.35Å
7R97.7Very high88.5Confident40 Ų4069.2 Ų69.215%0.15133%0.333CS..EExtended strand (participates in β ladder)trans-131.5131.5171.2-173.1-17768.485.62.8109.2Y5 E22 F23 E24 E99 L100 E101Y5-R7 HydrophobicContact CE1-CB 3.99Å; R7-E22 WeakPolarHBondContact CD-OE1 3.35Å; R7-E22 HydrophobicContact CG-CG 4.48Å; R7-E22 IonicContact CZ-OE1 2.85Å; R7-E22 IonicContact NH1-OE1 3.19Å; R7-E22 PolarHBondContact NH1-OE1 3.46Å; R7-F23 WeakPolarHBondContact CA-O 3.29Å; R7-E24 HydrophobicContact CG-CB 4.43Å; R7-E99 IonicContact CZ-OE2 3.9Å; R7-E99 IonicContact NH1-OE2 3.69Å; R7-E99 PolarHBondContact NH1-OE2 2.9Å; R7-E99 VanDerWaalsContact NH1-OE2 3.1Å; R7-E99 IonicContact NH2-OE2 2.85Å; R7-E99 PolarHBondContact NH2-OE2 2.99Å; R7-L100 WeakPolarHBondContact O-CA 3.23Å; R7-E101 HydrophobicContact CB-CB 4.47Å; R7-E101 PolarHBondContact N-O 2.92Å; R7-E101 IonicContact NE-OE2 3.1Å; R7-E101 PolarHBondContact O-N 3.44Å
8Y97.9Very high88.4Confident0 Ų068.8 Ų68.80%033%0.33CS..EExtended strand (participates in β ladder)trans-126131.3171.1171.5-99.7000109.5C10 E22 F23 Q98 E99 L100 V138 R142Y8-C10 HydrophobicContact CE1-CB 3.85Å; Y8-C10 VanDerWaalsContact OH-CB 3.31Å; Y8-C10 WeakPolarHBondContact OH-CB 3.47Å; Y8-E22 CarbonylContact O-C 3.51Å; Y8-E22 VanDerWaalsContact O-CA 3.24Å; Y8-E22 WeakPolarHBondContact O-CA 3.32Å; Y8-E22 WeakPolarHBondContact O-CG 2.97Å; Y8-F23 AromaticContact CD1-CD1 3.98Å; Y8-F23 HydrophobicContact CD1-CD1 3.98Å; Y8-F23 AromaticContact CD1-CE1 3.3Å; Y8-F23 HydrophobicContact CD1-CE1 3.3Å; Y8-F23 AromaticContact CD1-CZ 3.7Å; Y8-F23 HydrophobicContact CD1-CZ 3.7Å; Y8-F23 HydrophobicContact CE1-CE1 4.16Å; Y8-F23 AromaticContact CG-CE1 3.95Å; Y8-F23 HydrophobicContact CG-CE1 3.95Å; Y8-F23 AromaticContact CG-CZ 3.86Å; Y8-F23 HydrophobicContact CG-CZ 3.86Å; Y8-F23 PolarHBondContact N-O 2.96Å; Y8-F23 PolarHBondContact O-N 2.8Å; Y8-Q98 PolarHBondContact OH-NE2 2.94Å; Y8-E99 WeakPolarHBondContact CA-O 3.35Å; Y8-E99 WeakPolarHBondContact CD2-O 3.41Å; Y8-L100 HydrophobicContact CD2-CD1 4.33Å; Y8-V138 HydrophobicContact CD2-CG1 4.26Å; Y8-V138 HydrophobicContact CD2-CG2 3.92Å; Y8-V138 HydrophobicContact CE1-CG1 4.16Å; Y8-V138 HydrophobicContact CE2-CB 4.22Å; Y8-V138 HydrophobicContact CE2-CG1 3.48Å; Y8-V138 VanDerWaalsContact CE2-CG1 3.48Å; Y8-V138 HydrophobicContact CE2-CG2 3.6Å; Y8-V138 VanDerWaalsContact CZ-CG1 3.4Å; Y8-V138 WeakPolarHBondContact OH-CG1 3.43Å; Y8-R142 HydrophobicContact CE1-CG 4.3Å
9Y96.2Very high88.3Confident35 Ų3567.1 Ų67.114%0.13732%0.322CS..EExtended strand (participates in β ladder)trans-126141.3174.4166.3-86.9000110H18 F20 E22 Q98 E99Y9-H18 AromaticContact CZ-NE2 3.93Å; Y9-H18 PolarHBondContact OH-CE1 3.2Å; Y9-H18 PolarHBondContact OH-NE2 2.85Å; Y9-F20 HydrophobicContact CD2-CB 4.47Å; Y9-F20 HydrophobicContact CD2-CD2 4.34Å; Y9-F20 HydrophobicContact CE2-CB 3.64Å; Y9-F20 HydrophobicContact CE2-CD2 4.01Å; Y9-F20 HydrophobicContact CE2-CG 4Å; Y9-E22 HydrophobicContact CD2-CB 4.18Å; Y9-E22 HydrophobicContact CD2-CG 4.49Å; Y9-Q98 CarbonylContact O-C 3.59Å; Y9-Q98 VanDerWaalsContact O-CA 3.31Å; Y9-Q98 WeakPolarHBondContact O-CA 3.3Å; Y9-E99 HydrophobicContact CD1-CB 4.42Å; Y9-E99 HydrophobicContact CD1-CG 4.12Å; Y9-E99 PolarHBondContact N-O 3.24Å; Y9-E99 PolarHBondContact O-N 3.47Å
10C94.7Very high88.4Confident12 Ų1265.1 Ų65.18%0.08131%0.311CS..EExtended strand (participates in β ladder)trans-143124.4169.3-179.40000109.2Y8 F20 M21 A97 Q98Y8-C10 HydrophobicContact CE1-CB 3.85Å; Y8-C10 VanDerWaalsContact OH-CB 3.31Å; Y8-C10 WeakPolarHBondContact OH-CB 3.47Å; C10-F20 CarbonylContact O-C 3.52Å; C10-F20 VanDerWaalsContact O-CA 3.26Å; C10-F20 WeakPolarHBondContact O-CA 3.39Å; C10-M21 PolarHBondContact N-O 3.09Å; C10-M21 PolarHBondContact O-N 2.93Å; C10-A97 WeakPolarHBondContact CA-O 3.33Å; C10-Q98 HydrophobicContact CB-CG 4.12Å
11G93.1Very high88.5Confident4 Ų462.5 Ų62.54%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-161.8163.9-177.400000113.7E19 G96 A97G11-E19 CarbonylContact C-O 3.45Å; G11-E19 WeakPolarHBondContact CA-O 3.38Å; G11-G96 CarbonylContact O-C 3.54Å; G11-G96 WeakPolarHBondContact O-CA 3.37Å; G11-A97 PolarHBondContact N-O 2.98Å; G11-A97 PolarHBondContact O-N 3.46Å
12H91.9Very high89.8Confident50 Ų5057.5 Ų57.523%0.23127%0.274CS..EExtended strand (participates in β ladder)trans-150.1156.3176.474.1-60.4000110.5H18 E19 L95 G96H12-H18 PolarHBondContact O-CD2 3.42Å; H12-E19 IonicContact CE1-OE2 3.86Å; H12-E19 PolarHBondContact CE1-OE2 3.44Å; H12-E19 VanDerWaalsContact CE1-OE2 3.22Å; H12-E19 PolarHBondContact N-O 3.41Å; H12-E19 IonicContact NE2-OE2 3.61Å; H12-E19 PolarHBondContact O-N 2.85Å; H12-L95 VanDerWaalsContact CB-O 3.24Å; H12-L95 WeakPolarHBondContact CB-O 3.16Å; H12-G96 VanDerWaalsContact CB-CA 3.47Å
13R87.5Confident90.5Very high204 Ų20455.8 Ų55.877%0.7726%0.255SS*.EExtended strand (participates in β ladder)trans-103.199.1173.5-71.6-174.3176.8-171.61.6109H18R13-H18 HydrophobicContact CG-CB 4.16Å
14G83Confident90.7Very high33 Ų3349.4 Ų49.434%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-91.5-173.1176.600000112.6F16 G17G14-F16 PolarHBondContact O-N 2.78Å; G14-G17 PolarHBondContact N-O 2.93Å; G14-G17 PolarHBondContact O-N 3Å
15K80.6Confident90.7Very high198 Ų19849 Ų4986%0.86123%0.231SC*.THydrogen-bonded Turntrans-60.3-27.6176.9-174.2177.4178.1-179.80113.2
16F76.5Confident90.5Very high153 Ų15347.9 Ų47.967%0.67123%0.228SC*.THydrogen-bonded Turntrans-98.612.6-175.9-56.3-70.2000113.5G14 H38G14-F16 PolarHBondContact O-N 2.78Å; F16-H38 HydrophobicContact CB-CB 4.31Å
17G83.2Confident90.2Very high35 Ų3551.4 Ų51.436%0.36125%0.251SS..EExtended strand (participates in β ladder)trans106.5-157.7-179.200000112.5G14G14-G17 PolarHBondContact N-O 2.93Å; G14-G17 PolarHBondContact O-N 3Å
18H85.3Confident89.8Confident61 Ų6154.4 Ų54.428%0.28227%0.27SS..EExtended strand (participates in β ladder)trans-92.2111.7-175.6-177.4-162.2000110.2Y9 H12 R13 F20 N36Y9-H18 AromaticContact CZ-NE2 3.93Å; Y9-H18 PolarHBondContact OH-CE1 3.2Å; Y9-H18 PolarHBondContact OH-NE2 2.85Å; H12-H18 PolarHBondContact O-CD2 3.42Å; R13-H18 HydrophobicContact CG-CB 4.16Å; H18-F20 AromaticContact CE1-CD1 3.8Å; H18-F20 AromaticContact NE2-CD1 3.92Å; H18-N36 PolarHBondContact O-ND2 3.26Å
19E87Confident89.3Confident37 Ų3756.4 Ų56.417%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-103.9130173.3-64.1-173.411800109.1G11 H12 N36 H38G11-E19 CarbonylContact C-O 3.45Å; G11-E19 WeakPolarHBondContact CA-O 3.38Å; H12-E19 IonicContact CE1-OE2 3.86Å; H12-E19 PolarHBondContact CE1-OE2 3.44Å; H12-E19 VanDerWaalsContact CE1-OE2 3.22Å; H12-E19 PolarHBondContact N-O 3.41Å; H12-E19 IonicContact NE2-OE2 3.61Å; H12-E19 PolarHBondContact O-N 2.85Å; E19-N36 VanDerWaalsContact CA-O 3.28Å; E19-N36 WeakPolarHBondContact CA-O 3.46Å; E19-H38 HydrophobicContact CG-CB 4.38Å; E19-H38 PolarHBondContact OE1-N 3.46Å
20F90.1Very high89Confident26 Ų2655.9 Ų55.911%0.11428%0.28CS..EExtended strand (participates in β ladder)trans-154.1161.7-177.474.6-88.9000112.6Y9 C10 H18 E22 A34 N36 F57Y9-F20 HydrophobicContact CD2-CB 4.47Å; Y9-F20 HydrophobicContact CD2-CD2 4.34Å; Y9-F20 HydrophobicContact CE2-CB 3.64Å; Y9-F20 HydrophobicContact CE2-CD2 4.01Å; Y9-F20 HydrophobicContact CE2-CG 4Å; C10-F20 CarbonylContact O-C 3.52Å; C10-F20 VanDerWaalsContact O-CA 3.26Å; C10-F20 WeakPolarHBondContact O-CA 3.39Å; H18-F20 AromaticContact CE1-CD1 3.8Å; H18-F20 AromaticContact NE2-CD1 3.92Å; F20-E22 HydrophobicContact CD2-CB 4.28Å; F20-E22 HydrophobicContact CE2-CB 4.39Å; F20-A34 HydrophobicContact CE2-CB 3.83Å; F20-A34 HydrophobicContact CZ-CB 4.43Å; F20-N36 HydrophobicContact CD1-CB 3.74Å; F20-N36 HydrophobicContact CE1-CB 3.6Å; F20-N36 HydrophobicContact CG-CB 4.49Å; F20-N36 HydrophobicContact CZ-CB 4.25Å; F20-N36 PolarHBondContact N-O 2.9Å; F20-N36 PolarHBondContact O-N 3.48Å; F20-F57 HydrophobicContact CE1-CD1 4.21Å; F20-F57 AromaticContact CE1-CE1 3.9Å; F20-F57 HydrophobicContact CE1-CE1 3.9Å; F20-F57 HydrophobicContact CZ-CD1 4.25Å; F20-F57 HydrophobicContact CZ-CE1 4.33Å
21M90.5Very high88.8Confident11 Ų1155.3 Ų55.35%0.05428%0.277CS..EExtended strand (participates in β ladder)trans-134.4132.9169.7177.6-174.7-73.400107.7C10 Y33 A34 N35 R142 F146 I158C10-M21 PolarHBondContact N-O 3.09Å; C10-M21 PolarHBondContact O-N 2.93Å; M21-Y33 HydrophobicContact CG-CE2 4Å; M21-Y33 HydrophobicContact SD-CE2 4.48Å; M21-A34 CarbonylContact C-O 3.45Å; M21-A34 WeakPolarHBondContact CA-O 3.36Å; M21-N35 WeakPolarHBondContact CE-ND2 3.1Å; M21-R142 PolarHBondContact SD-NH2 3.06Å; M21-F146 HydrophobicContact CE-CE1 3.58Å; M21-F146 HydrophobicContact CE-CZ 3.38Å; M21-F146 HydrophobicContact SD-CE1 3.51Å; M21-F146 VanDerWaalsContact SD-CE1 3.51Å; M21-F146 HydrophobicContact SD-CZ 3.39Å; M21-F146 WeakPolarHBondContact SD-CZ 3.38Å; M21-I158 WeakPolarHBondContact CE-O 3.06Å
22E92.4Very high88.6Confident55 Ų5560 Ų6026%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-139.3142.6177.9-175.3169.9-138.700110R7 Y8 Y9 F20 Y33 A34R7-E22 WeakPolarHBondContact CD-OE1 3.35Å; R7-E22 HydrophobicContact CG-CG 4.48Å; R7-E22 IonicContact CZ-OE1 2.85Å; R7-E22 IonicContact NH1-OE1 3.19Å; R7-E22 PolarHBondContact NH1-OE1 3.46Å; Y8-E22 CarbonylContact O-C 3.51Å; Y8-E22 VanDerWaalsContact O-CA 3.24Å; Y8-E22 WeakPolarHBondContact O-CA 3.32Å; Y8-E22 WeakPolarHBondContact O-CG 2.97Å; Y9-E22 HydrophobicContact CD2-CB 4.18Å; Y9-E22 HydrophobicContact CD2-CG 4.49Å; F20-E22 HydrophobicContact CD2-CB 4.28Å; F20-E22 HydrophobicContact CE2-CB 4.39Å; E22-Y33 CarbonylContact O-C 3.53Å; E22-Y33 WeakPolarHBondContact O-CA 3.46Å; E22-A34 HydrophobicContact CB-CB 4.42Å; E22-A34 PolarHBondContact N-O 2.66Å; E22-A34 PolarHBondContact O-N 3.09Å
23F93.6Very high88.5Confident2 Ų257.8 Ų57.81%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-140.3149.2164.357.7-96.2000111.6L6 R7 Y8 L31 R32 Y33 L141 R142 V145L6-F23 HydrophobicContact CD2-CD2 4.05Å; L6-F23 HydrophobicContact CD2-CE2 3.61Å; R7-F23 WeakPolarHBondContact CA-O 3.29Å; Y8-F23 AromaticContact CD1-CD1 3.98Å; Y8-F23 HydrophobicContact CD1-CD1 3.98Å; Y8-F23 AromaticContact CD1-CE1 3.3Å; Y8-F23 HydrophobicContact CD1-CE1 3.3Å; Y8-F23 AromaticContact CD1-CZ 3.7Å; Y8-F23 HydrophobicContact CD1-CZ 3.7Å; Y8-F23 HydrophobicContact CE1-CE1 4.16Å; Y8-F23 AromaticContact CG-CE1 3.95Å; Y8-F23 HydrophobicContact CG-CE1 3.95Å; Y8-F23 AromaticContact CG-CZ 3.86Å; Y8-F23 HydrophobicContact CG-CZ 3.86Å; Y8-F23 PolarHBondContact N-O 2.96Å; Y8-F23 PolarHBondContact O-N 2.8Å; F23-L31 HydrophobicContact CB-CD1 4.32Å; F23-R32 CarbonylContact C-O 3.58Å; F23-R32 WeakPolarHBondContact CA-O 3.48Å; F23-R32 WeakPolarHBondContact CB-O 2.96Å; F23-Y33 HydrophobicContact CB-CD2 4.12Å; F23-L141 HydrophobicContact CE2-CB 4.15Å; F23-L141 HydrophobicContact CZ-CB 3.82Å; F23-R142 HydrophobicContact CE1-CG 3.92Å; F23-R142 HydrophobicContact CZ-CG 4.4Å; F23-V145 HydrophobicContact CB-CG1 4.13Å; F23-V145 HydrophobicContact CD1-CB 4.45Å; F23-V145 HydrophobicContact CD1-CG1 4.17Å; F23-V145 HydrophobicContact CD1-CG2 4.3Å; F23-V145 HydrophobicContact CD2-CG2 3.78Å; F23-V145 HydrophobicContact CE1-CG2 4.46Å; F23-V145 HydrophobicContact CE2-CG2 3.96Å; F23-V145 HydrophobicContact CG-CB 4.48Å; F23-V145 HydrophobicContact CG-CG1 4.13Å; F23-V145 HydrophobicContact CG-CG2 3.95Å; F23-V145 HydrophobicContact CZ-CG2 4.31Å
24E94.7Very high88.4Confident36 Ų3648.3 Ų48.317%0.16825%0.248CC..EExtended strand (participates in β ladder)trans-136.5126.2-175.3-178.3-176.7-139.800109.1Y5 L6 R7 C26 L31 R32Y5-E24 HydrophobicContact CE2-CG 3.64Å; Y5-E24 WeakPolarHBondContact CE2-OE1 3.43Å; Y5-E24 PolarHBondContact OH-OE1 2.79Å; L6-E24 CarbonylContact O-C 3.6Å; L6-E24 VanDerWaalsContact O-CA 3.27Å; L6-E24 WeakPolarHBondContact O-CA 3.29Å; R7-E24 HydrophobicContact CG-CB 4.43Å; E24-C26 PolarHBondContact OE2-SG 3.36Å; E24-L31 CarbonylContact O-C 3.52Å; E24-L31 VanDerWaalsContact O-CA 3.32Å; E24-L31 WeakPolarHBondContact O-CA 3.37Å; E24-R32 HydrophobicContact CB-CB 4.23Å; E24-R32 PolarHBondContact N-O 2.89Å; E24-R32 PolarHBondContact O-N 3.49Å; E24-R32 WeakPolarHBondContact OE2-CD 3.44Å; E24-R32 IonicContact OE2-CZ 3.06Å; E24-R32 IonicContact OE2-NE 2.64Å; E24-R32 IonicContact OE2-NH1 2.69Å; E24-R32 PolarHBondContact OE2-NH1 3.5Å; E24-R32 VanDerWaalsContact OE2-NH1 3.13Å
25V93.9Very high88.6Confident1 Ų147.5 Ų47.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-101.7102.7166.9-177.20000107.3F4 Y5 L6 L31 L64 I72F4-V25 HydrophobicContact CD1-CG1 4.04Å; F4-V25 HydrophobicContact CE1-CB 4.28Å; F4-V25 HydrophobicContact CE1-CG1 3.98Å; Y5-V25 WeakPolarHBondContact CA-O 3.41Å; L6-V25 HydrophobicContact CB-CB 4.37Å; L6-V25 PolarHBondContact N-O 2.84Å; L6-V25 VanDerWaalsContact N-O 3.15Å; L6-V25 PolarHBondContact O-N 2.94Å; V25-L31 HydrophobicContact CG2-CD1 4.03Å; V25-L64 HydrophobicContact CG1-CD1 4.23Å; V25-L64 HydrophobicContact CG2-CD1 4.33Å; V25-I72 HydrophobicContact CG2-CD1 4.12Å
26C92.1Very high88.6Confident12 Ų1238.6 Ų38.68%0.08120%0.198CC..  trans-74.5159.5179.8-56.80000111.5E24 N28 N29 L30E24-C26 PolarHBondContact OE2-SG 3.36Å; C26-N28 WeakPolarHBondContact CB-OD1 3.45Å; C26-N28 PolarHBondContact O-N 2.94Å; C26-N29 WeakPolarHBondContact O-CA 3.09Å; C26-N29 PolarHBondContact O-N 2.58Å; C26-L30 HydrophobicContact CB-CB 4.02Å; C26-L30 PolarHBondContact N-O 2.97Å
27P91.7Very high88.3Confident75 Ų7534 Ų3449%0.48718%0.184SC..THydrogen-bonded Turntrans-62.1-18.8179.8-23.134.4000115.3F4 N29F4-P27 WeakPolarHBondContact O-CA 3.4Å; F4-P27 WeakPolarHBondContact O-CG 3.31Å; P27-N29 PolarHBondContact O-N 3.1Å
28N89.3Confident87.4Confident102 Ų10236.8 Ų36.855%0.54519%0.188SC..THydrogen-bonded Turntrans-89.521.3174.165.8-13.7000112.8C26 L30 L63C26-N28 WeakPolarHBondContact CB-OD1 3.45Å; C26-N28 PolarHBondContact O-N 2.94Å; N28-L30 PolarHBondContact O-N 3.32Å; N28-L30 WeakPolarHBondContact OD1-CB 3.35Å; N28-L30 PolarHBondContact OD1-N 2.8Å; N28-L63 WeakPolarHBondContact O-CD2 3.27Å
29N89Confident85.5Confident43 Ų4341.8 Ų41.823%0.2321%0.206CC..SBendtrans61.317.5-176.6-56.1-20.1000114.5C26 P27 L31 L63 L64 V69C26-N29 WeakPolarHBondContact O-CA 3.09Å; C26-N29 PolarHBondContact O-N 2.58Å; P27-N29 PolarHBondContact O-N 3.1Å; N29-L31 PolarHBondContact O-N 3.27Å; N29-L63 HydrophobicContact CB-CD2 4.41Å; N29-L64 HydrophobicContact CB-CB 4.49Å; N29-L64 PolarHBondContact O-N 3.44Å; N29-V69 HydrophobicContact CB-CG2 4.09Å
30L89Confident83.5Confident24 Ų2448.1 Ų48.113%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-78.7116174.9-17268.9000109.5C26 N28 R32 Q61C26-L30 HydrophobicContact CB-CB 4.02Å; C26-L30 PolarHBondContact N-O 2.97Å; N28-L30 PolarHBondContact O-N 3.32Å; N28-L30 WeakPolarHBondContact OD1-CB 3.35Å; N28-L30 PolarHBondContact OD1-N 2.8Å; L30-R32 HydrophobicContact CD2-CG 4.17Å; L30-R32 HydrophobicContact CG-CG 4.24Å; L30-Q61 HydrophobicContact CD1-CB 4.08Å
31L90.7Very high81.4Confident0 Ų055.1 Ų55.10%027%0.271CS..EExtended strand (participates in β ladder)trans-83.9121.3165.717658.4000108.8F23 E24 V25 N29 F60 Q61 G62 L64 V145 L148F23-L31 HydrophobicContact CB-CD1 4.32Å; E24-L31 CarbonylContact O-C 3.52Å; E24-L31 VanDerWaalsContact O-CA 3.32Å; E24-L31 WeakPolarHBondContact O-CA 3.37Å; V25-L31 HydrophobicContact CG2-CD1 4.03Å; N29-L31 PolarHBondContact O-N 3.27Å; L31-F60 HydrophobicContact CB-CE1 3.93Å; L31-F60 HydrophobicContact CD2-CD1 4.37Å; L31-F60 HydrophobicContact CD2-CE1 3.7Å; L31-F60 HydrophobicContact CG-CD1 4.1Å; L31-F60 HydrophobicContact CG-CE1 3.66Å; L31-Q61 CarbonylContact O-C 3.45Å; L31-Q61 VanDerWaalsContact O-CA 3.23Å; L31-Q61 WeakPolarHBondContact O-CA 3.24Å; L31-G62 PolarHBondContact N-O 2.88Å; L31-G62 PolarHBondContact O-N 2.98Å; L31-L64 HydrophobicContact CB-CD1 3.89Å; L31-L64 HydrophobicContact CB-CD2 3.88Å; L31-L64 HydrophobicContact CB-CG 3.75Å; L31-L64 HydrophobicContact CD2-CD1 4.5Å; L31-L64 HydrophobicContact CD2-CD2 3.95Å; L31-V145 HydrophobicContact CD1-CG2 4.38Å; L31-L148 HydrophobicContact CD2-CD1 4.03Å
32R89.2Confident79.1Confident102 Ų10259.7 Ų59.739%0.38530%0.296SS..EExtended strand (participates in β ladder)trans-105.9141166.1-50.4-169.7174155-10.4109.8F23 E24 L30 F60 Q61F23-R32 CarbonylContact C-O 3.58Å; F23-R32 WeakPolarHBondContact CA-O 3.48Å; F23-R32 WeakPolarHBondContact CB-O 2.96Å; E24-R32 HydrophobicContact CB-CB 4.23Å; E24-R32 PolarHBondContact N-O 2.89Å; E24-R32 PolarHBondContact O-N 3.49Å; E24-R32 WeakPolarHBondContact OE2-CD 3.44Å; E24-R32 IonicContact OE2-CZ 3.06Å; E24-R32 IonicContact OE2-NE 2.64Å; E24-R32 IonicContact OE2-NH1 2.69Å; E24-R32 PolarHBondContact OE2-NH1 3.5Å; E24-R32 VanDerWaalsContact OE2-NH1 3.13Å; L30-R32 HydrophobicContact CD2-CG 4.17Å; L30-R32 HydrophobicContact CG-CG 4.24Å; R32-F60 CarbonylContact C-O 3.59Å; R32-F60 WeakPolarHBondContact CA-O 3.4Å; R32-Q61 HydrophobicContact CG-CG 4.09Å
33Y89.4Confident76.3Confident3 Ų363 Ų631%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-138.8135173.7169.4-88.4000110M21 E22 F23 N35 L58 Y59 F60 V145 F146 I149M21-Y33 HydrophobicContact CG-CE2 4Å; M21-Y33 HydrophobicContact SD-CE2 4.48Å; E22-Y33 CarbonylContact O-C 3.53Å; E22-Y33 WeakPolarHBondContact O-CA 3.46Å; F23-Y33 HydrophobicContact CB-CD2 4.12Å; Y33-N35 HydrophobicContact CE1-CB 3.61Å; Y33-N35 WeakPolarHBondContact OH-CB 3.14Å; Y33-N35 PolarHBondContact OH-ND2 3.45Å; Y33-L58 HydrophobicContact CE1-CD2 4.14Å; Y33-Y59 CarbonylContact O-C 3.56Å; Y33-Y59 WeakPolarHBondContact O-CA 3.34Å; Y33-F60 PolarHBondContact N-O 2.81Å; Y33-F60 PolarHBondContact O-N 3.4Å; Y33-V145 HydrophobicContact CD2-CG1 3.82Å; Y33-V145 HydrophobicContact CE2-CG1 4.33Å; Y33-F146 HydrophobicContact CE2-CD1 4.4Å; Y33-F146 HydrophobicContact CE2-CE1 4.05Å; Y33-I149 HydrophobicContact CD1-CD1 3.51Å; Y33-I149 HydrophobicContact CD2-CD1 3.29Å; Y33-I149 HydrophobicContact CE1-CD1 3.84Å; Y33-I149 HydrophobicContact CE2-CD1 3.66Å; Y33-I149 HydrophobicContact CG-CD1 3.2Å; Y33-I149 HydrophobicContact CG-CG1 4.46Å
34A86.2Confident73.5Confident6 Ų664.9 Ų64.95%0.0533%0.33CS..EExtended strand (participates in β ladder)trans-127.6133.6175.400000109.6F20 M21 E22 L58 Y59F20-A34 HydrophobicContact CE2-CB 3.83Å; F20-A34 HydrophobicContact CZ-CB 4.43Å; M21-A34 CarbonylContact C-O 3.45Å; M21-A34 WeakPolarHBondContact CA-O 3.36Å; E22-A34 HydrophobicContact CB-CB 4.42Å; E22-A34 PolarHBondContact N-O 2.66Å; E22-A34 PolarHBondContact O-N 3.09Å; A34-L58 VanDerWaalsContact CA-O 3.25Å; A34-L58 WeakPolarHBondContact CA-O 3.42Å; A34-Y59 HydrophobicContact CB-CD1 3.96Å; A34-Y59 HydrophobicContact CB-CE1 3.81Å
35N85.6Confident70.8Confident16 Ų1667.2 Ų67.29%0.08634%0.343CS..EExtended strand (participates in β ladder)trans-139.1128.1170.5-174.1-44.1000110M21 Y33 S37 L58 I158M21-N35 WeakPolarHBondContact CE-ND2 3.1Å; Y33-N35 HydrophobicContact CE1-CB 3.61Å; Y33-N35 WeakPolarHBondContact OH-CB 3.14Å; Y33-N35 PolarHBondContact OH-ND2 3.45Å; N35-S37 PolarHBondContact OD1-N 3.28Å; N35-S37 PolarHBondContact OD1-OG 3.5Å; N35-L58 PolarHBondContact N-O 2.75Å; N35-L58 PolarHBondContact O-N 3.15Å; N35-I158 PolarHBondContact ND2-O 3.21Å
36N81.8Confident67.9Low11 Ų1175.6 Ų75.66%0.05937%0.374CS..EExtended strand (participates in β ladder)trans-121.8106.5170.9-166.523.4000109.6H18 E19 F20 F57H18-N36 PolarHBondContact O-ND2 3.26Å; E19-N36 VanDerWaalsContact CA-O 3.28Å; E19-N36 WeakPolarHBondContact CA-O 3.46Å; F20-N36 HydrophobicContact CD1-CB 3.74Å; F20-N36 HydrophobicContact CE1-CB 3.6Å; F20-N36 HydrophobicContact CG-CB 4.49Å; F20-N36 HydrophobicContact CZ-CB 4.25Å; F20-N36 PolarHBondContact N-O 2.9Å; F20-N36 PolarHBondContact O-N 3.48Å; N36-F57 HydrophobicContact CB-CD1 3.7Å; N36-F57 HydrophobicContact CB-CE1 3.78Å; N36-F57 VanDerWaalsContact CG-CE1 3.43Å; N36-F57 VanDerWaalsContact ND2-CE1 3.29Å; N36-F57 WeakPolarHBondContact ND2-CE1 3.28Å
37S69.6Low65Low55 Ų5580.7 Ų80.739%0.38540%0.395SS..  trans-119.4122.7171.133.80000107.8N35 Y39N35-S37 PolarHBondContact OD1-N 3.28Å; N35-S37 PolarHBondContact OD1-OG 3.5Å; S37-Y39 PolarHBondContact O-N 3.29Å
38H64.3Low62Low95 Ų9583.7 Ų83.744%0.4441%0.405SS..  trans-91.321.5177.4-101.1-81.7000111.4F16 E19 K40F16-H38 HydrophobicContact CB-CB 4.31Å; E19-H38 HydrophobicContact CG-CB 4.38Å; E19-H38 PolarHBondContact OE1-N 3.46Å; H38-K40 PolarHBondContact O-N 2.85Å
39Y46.3Very low59.3Low166 Ų16683 Ų8365%0.65141%0.405SS*.SBendtrans-74.8111-176.4-140.2-101.8000110.6S37S37-Y39 PolarHBondContact O-N 3.29Å
40K43.8Very low56.9Low169 Ų16988.8 Ų88.874%0.73543%0.428SS*.THydrogen-bonded Turntrans44.575.3167.7-68.6-173.8174.6-178.50116.4H38 D42H38-K40 PolarHBondContact O-N 2.85Å; K40-D42 PolarHBondContact O-N 2.75Å
41N47.2Very low54.5Low173 Ų17387.9 Ų87.993%0.92542%0.424SS*.THydrogen-bonded Turntrans48.826.9157.6-89.6-7.9000116.1T43N41-T43 PolarHBondContact O-N 3.42Å
42D41.9Very low52.2Low108 Ų10893.7 Ų93.758%0.57845%0.454SS*.  trans-65.4129.2-165.5-111.2-20.4000111K40 L44K40-D42 PolarHBondContact O-N 2.75Å; D42-L44 PolarHBondContact O-N 3.25Å
43T32.6Very low50.1Low123 Ų12391 Ų9176%0.75545%0.446SS*.  trans-62.598.8179.332.60000109.4N41 I45N41-T43 PolarHBondContact O-N 3.42Å; T43-I45 PolarHBondContact O-N 3.28Å
44L35.2Very low48Very low43 Ų4395.4 Ų95.423%0.22547%0.469CS..  trans-10105.1161.9-159.6145.2000115.5D42 R46 M53 R55D42-L44 PolarHBondContact O-N 3.25Å; L44-R46 HydrophobicContact CD2-CB 4.17Å; L44-R46 HydrophobicContact CD2-CG 2.99Å; L44-R46 HydrophobicContact CG-CG 4.45Å; L44-R46 PolarHBondContact O-N 3.07Å; L44-R46 VanDerWaalsContact O-N 3.16Å; L44-M53 HydrophobicContact CD1-SD 4.39Å; L44-M53 HydrophobicContact CD2-CE 3.23Å; L44-M53 HydrophobicContact CD2-SD 3.71Å; L44-M53 HydrophobicContact CG-CE 3.89Å; L44-M53 HydrophobicContact CG-SD 3.68Å; L44-R55 HydrophobicContact CD1-CG 3.07Å; L44-R55 HydrophobicContact CG-CG 4.4Å
45I38.6Very low46.2Very low85 Ų85102.9 Ų102.944%0.43650%0.496SS..  trans-83.891.7175.1-58179.1000109T43 K47 M53 I155T43-I45 PolarHBondContact O-N 3.28Å; I45-K47 PolarHBondContact O-N 3.35Å; I45-M53 VanDerWaalsContact C-CE 3.43Å; I45-M53 WeakPolarHBondContact O-CE 3.43Å; I45-I155 HydrophobicContact CB-CD1 4.43Å; I45-I155 HydrophobicContact CD1-CG2 3.87Å; I45-I155 HydrophobicContact CG2-CD1 3.5Å; I45-I155 VanDerWaalsContact CG2-CD1 3.5Å; I45-I155 HydrophobicContact CG2-CG1 3.65Å; I45-I155 HydrophobicContact CG2-CG2 4.2Å
46R31.5Very low44.6Very low177 Ų177105.6 Ų105.667%0.66852%0.515SS*.  trans-77100171.2-63.9-155.8167.3165-2110.8L44 M53L44-R46 HydrophobicContact CD2-CB 4.17Å; L44-R46 HydrophobicContact CD2-CG 2.99Å; L44-R46 HydrophobicContact CG-CG 4.45Å; L44-R46 PolarHBondContact O-N 3.07Å; L44-R46 VanDerWaalsContact O-N 3.16Å; R46-M53 HydrophobicContact CB-CE 3.73Å; R46-M53 HydrophobicContact CG-CE 3.38Å
47K32.5Very low43.4Very low119 Ų119107.8 Ų107.852%0.51752%0.524SS..  trans-139.4113.7156.2-70.7-168.6176.7171.60112.2I45 T51I45-K47 PolarHBondContact O-N 3.35Å; K47-T51 VanDerWaalsContact O-CB 3.25Å; K47-T51 WeakPolarHBondContact O-CB 3.35Å; K47-T51 PolarHBondContact O-OG1 3.5Å
48I28Very low43Very low137 Ų137106.8 Ų106.870%0.70351%0.514SS*.  trans-89.9115.4-179.6-64.1163.5000107.7
49T32.1Very low42.6Very low89 Ų89106.7 Ų106.755%0.54651%0.51SS..SBendtrans-151.2105.4138.1-540000105.5T51 F153T49-T51 PolarHBondContact O-N 3.13Å; T49-T51 PolarHBondContact O-OG1 2.84Å; T49-F153 WeakPolarHBondContact O-CE1 3.18Å
50F40.4Very low43.6Very low164 Ų16499.6 Ų99.672%0.71948%0.483SS*.SBendtrans49.210.3-159.6-75.8-81.2000117.3L52 Q61F50-L52 PolarHBondContact O-N 2.69Å; F50-Q61 HydrophobicContact CB-CB 4.44Å; F50-Q61 WeakPolarHBondContact CB-O 3.42Å; F50-Q61 PolarHBondContact O-N 2.94Å
51T38.8Very low44.7Very low5 Ų595.2 Ų95.23%0.03147%0.465CS..  trans-88.598.1167.7-48.90000108.9K47 T49 M53 L58 Y59 F153K47-T51 VanDerWaalsContact O-CB 3.25Å; K47-T51 WeakPolarHBondContact O-CB 3.35Å; K47-T51 PolarHBondContact O-OG1 3.5Å; T49-T51 PolarHBondContact O-N 3.13Å; T49-T51 PolarHBondContact O-OG1 2.84Å; T51-M53 PolarHBondContact O-N 3.2Å; T51-L58 HydrophobicContact CG2-CD1 3.6Å; T51-Y59 WeakPolarHBondContact CA-O 3.37Å; T51-Y59 WeakPolarHBondContact CG2-O 3.48Å; T51-F153 WeakPolarHBondContact OG1-CE1 3.44Å; T51-F153 VanDerWaalsContact OG1-CZ 3.25Å; T51-F153 WeakPolarHBondContact OG1-CZ 3.5Å
52L42.4Very low46Very low122 Ų12287.6 Ų87.664%0.63943%0.427SS*.  trans-82.393.2167.9-163.286.2000107.5F50 I54 Y59F50-L52 PolarHBondContact O-N 2.69Å; L52-I54 HydrophobicContact CD2-CD1 3.67Å; L52-I54 HydrophobicContact CD2-CG1 3.76Å; L52-I54 HydrophobicContact CG-CG1 4.17Å; L52-I54 PolarHBondContact O-N 2.86Å; L52-I54 VanDerWaalsContact O-N 3.11Å; L52-Y59 PolarHBondContact N-O 3.32Å
53M45Very low48Very low44 Ų4489.1 Ų89.122%0.21744%0.435CS..  trans-79.3101.7174.1-176.416339.200110.8L44 I45 R46 T51L44-M53 HydrophobicContact CD1-SD 4.39Å; L44-M53 HydrophobicContact CD2-CE 3.23Å; L44-M53 HydrophobicContact CD2-SD 3.71Å; L44-M53 HydrophobicContact CG-CE 3.89Å; L44-M53 HydrophobicContact CG-SD 3.68Å; I45-M53 VanDerWaalsContact C-CE 3.43Å; I45-M53 WeakPolarHBondContact O-CE 3.43Å; R46-M53 HydrophobicContact CB-CE 3.73Å; R46-M53 HydrophobicContact CG-CE 3.38Å; T51-M53 PolarHBondContact O-N 3.2Å
54I45Very low50.6Low96 Ų9684.1 Ų84.149%0.49240%0.404SS..BIsolated β-bridgetrans-94.7111.5165.2-55.8-170.1000106.6L52 F57L52-I54 HydrophobicContact CD2-CD1 3.67Å; L52-I54 HydrophobicContact CD2-CG1 3.76Å; L52-I54 HydrophobicContact CG-CG1 4.17Å; L52-I54 PolarHBondContact O-N 2.86Å; L52-I54 VanDerWaalsContact O-N 3.11Å; I54-F57 PolarHBondContact O-N 2.84Å
55R48.5Very low53.3Low163 Ų16384.9 Ų84.962%0.61541%0.413SS*.THydrogen-bonded Turntrans-50.9135.4174.9-77-161.89713416.7110.3L44L44-R55 HydrophobicContact CD1-CG 3.07Å; L44-R55 HydrophobicContact CG-CG 4.4Å
56P52.1Low55.7Low74 Ų7484.2 Ų84.248%0.48141%0.413SS..THydrogen-bonded Turncis-918.80.835.8-38.7000116.3
57F56.3Low58.7Low56 Ų5683.1 Ų83.125%0.24642%0.418CS..BIsolated β-bridgetrans-98.6139.2-164.7-54.3-81.1000113.6F20 N36 I54 Y59F20-F57 HydrophobicContact CE1-CD1 4.21Å; F20-F57 AromaticContact CE1-CE1 3.9Å; F20-F57 HydrophobicContact CE1-CE1 3.9Å; F20-F57 HydrophobicContact CZ-CD1 4.25Å; F20-F57 HydrophobicContact CZ-CE1 4.33Å; N36-F57 HydrophobicContact CB-CD1 3.7Å; N36-F57 HydrophobicContact CB-CE1 3.78Å; N36-F57 VanDerWaalsContact CG-CE1 3.43Å; N36-F57 VanDerWaalsContact ND2-CE1 3.29Å; N36-F57 WeakPolarHBondContact ND2-CE1 3.28Å; I54-F57 PolarHBondContact O-N 2.84Å; F57-Y59 HydrophobicContact CB-CD2 3.7Å; F57-Y59 HydrophobicContact CB-CE2 3.24Å; F57-Y59 HydrophobicContact CD2-CE2 4.21Å; F57-Y59 AromaticContact CG-CE2 3.83Å; F57-Y59 HydrophobicContact CG-CE2 3.83Å
58L60.5Low61.5Low34 Ų3479.2 Ų79.218%0.17840%0.404CS..EExtended strand (participates in β ladder)trans-89.4109.1165.9-175.266.9000109Y33 A34 N35 T51Y33-L58 HydrophobicContact CE1-CD2 4.14Å; A34-L58 VanDerWaalsContact CA-O 3.25Å; A34-L58 WeakPolarHBondContact CA-O 3.42Å; N35-L58 PolarHBondContact N-O 2.75Å; N35-L58 PolarHBondContact O-N 3.15Å; T51-L58 HydrophobicContact CG2-CD1 3.6Å
59Y56.3Low64.7Low93 Ų9372.9 Ų72.937%0.36537%0.372SS..EExtended strand (participates in β ladder)trans-107.5124.6170.8-71.7-81.5000110.2Y33 A34 T51 L52 F57Y33-Y59 CarbonylContact O-C 3.56Å; Y33-Y59 WeakPolarHBondContact O-CA 3.34Å; A34-Y59 HydrophobicContact CB-CD1 3.96Å; A34-Y59 HydrophobicContact CB-CE1 3.81Å; T51-Y59 WeakPolarHBondContact CA-O 3.37Å; T51-Y59 WeakPolarHBondContact CG2-O 3.48Å; L52-Y59 PolarHBondContact N-O 3.32Å; F57-Y59 HydrophobicContact CB-CD2 3.7Å; F57-Y59 HydrophobicContact CB-CE2 3.24Å; F57-Y59 HydrophobicContact CD2-CE2 4.21Å; F57-Y59 AromaticContact CG-CE2 3.83Å; F57-Y59 HydrophobicContact CG-CE2 3.83Å
60F66.2Low67.6Low18 Ų1871 Ų718%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-112.1142.2171.2163.9-115.1000109.6L31 R32 Y33 I149 F153L31-F60 HydrophobicContact CB-CE1 3.93Å; L31-F60 HydrophobicContact CD2-CD1 4.37Å; L31-F60 HydrophobicContact CD2-CE1 3.7Å; L31-F60 HydrophobicContact CG-CD1 4.1Å; L31-F60 HydrophobicContact CG-CE1 3.66Å; R32-F60 CarbonylContact C-O 3.59Å; R32-F60 WeakPolarHBondContact CA-O 3.4Å; Y33-F60 PolarHBondContact N-O 2.81Å; Y33-F60 PolarHBondContact O-N 3.4Å; F60-I149 HydrophobicContact CD1-CG1 4.38Å; F60-F153 HydrophobicContact CB-CE2 4.49Å; F60-F153 HydrophobicContact CD2-CD2 4.48Å; F60-F153 HydrophobicContact CD2-CE1 4.43Å; F60-F153 AromaticContact CD2-CE2 3.18Å; F60-F153 HydrophobicContact CD2-CE2 3.18Å; F60-F153 AromaticContact CD2-CZ 3.15Å; F60-F153 HydrophobicContact CD2-CZ 3.15Å; F60-F153 AromaticContact CE2-CE2 3.32Å; F60-F153 HydrophobicContact CE2-CE2 3.32Å; F60-F153 AromaticContact CE2-CZ 3.29Å; F60-F153 HydrophobicContact CE2-CZ 3.29Å; F60-F153 AromaticContact CG-CE2 3.86Å; F60-F153 HydrophobicContact CG-CE2 3.86Å; F60-F153 HydrophobicContact CG-CZ 4.2Å; F60-F153 HydrophobicContact CZ-CE2 4.1Å; F60-F153 HydrophobicContact CZ-CZ 4.41Å
61Q68.3Low70.2Confident76 Ų7665.7 Ų65.736%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-132.9133.3162.3-60.8-166.113.300108.2L30 L31 R32 F50L30-Q61 HydrophobicContact CD1-CB 4.08Å; L31-Q61 CarbonylContact O-C 3.45Å; L31-Q61 VanDerWaalsContact O-CA 3.23Å; L31-Q61 WeakPolarHBondContact O-CA 3.24Å; R32-Q61 HydrophobicContact CG-CG 4.09Å; F50-Q61 HydrophobicContact CB-CB 4.44Å; F50-Q61 WeakPolarHBondContact CB-O 3.42Å; F50-Q61 PolarHBondContact O-N 2.94Å
62G73.1Confident73Confident13 Ų1365.6 Ų65.613%0.13434%0.342CS..EExtended strand (participates in β ladder)trans-159.7143.1176.200000112.8L31 L64L31-G62 PolarHBondContact N-O 2.88Å; L31-G62 PolarHBondContact O-N 2.98Å; G62-L64 PolarHBondContact O-N 2.82Å
63L85.2Confident75.5Confident141 Ų14160 Ų6074%0.73831%0.313SS*.EExtended strand (participates in β ladder)trans-74.5120.3176.6-88.5152.3000109.9N28 N29N28-L63 WeakPolarHBondContact O-CD2 3.27Å; N29-L63 HydrophobicContact CB-CD2 4.41Å
64L87.9Confident78Confident18 Ų1861.8 Ų61.89%0.09432%0.323CS..PPolyproline II helixtrans-78.9143.5172.4-63.3-176.8000110.6V25 N29 L31 G62 V68 V69 I72 L148V25-L64 HydrophobicContact CG1-CD1 4.23Å; V25-L64 HydrophobicContact CG2-CD1 4.33Å; N29-L64 HydrophobicContact CB-CB 4.49Å; N29-L64 PolarHBondContact O-N 3.44Å; L31-L64 HydrophobicContact CB-CD1 3.89Å; L31-L64 HydrophobicContact CB-CD2 3.88Å; L31-L64 HydrophobicContact CB-CG 3.75Å; L31-L64 HydrophobicContact CD2-CD1 4.5Å; L31-L64 HydrophobicContact CD2-CD2 3.95Å; G62-L64 PolarHBondContact O-N 2.82Å; L64-V68 HydrophobicContact CB-CB 4.4Å; L64-V68 HydrophobicContact CD1-CG1 4.13Å; L64-V68 HydrophobicContact CD2-CG1 4.17Å; L64-V69 HydrophobicContact CB-CG2 3.83Å; L64-V69 HydrophobicContact CD1-CG2 4.13Å; L64-I72 HydrophobicContact CD1-CD1 4.22Å; L64-L148 HydrophobicContact CD2-CD1 3.97Å
65S90Very high80.5Confident59 Ų5961.9 Ų61.941%0.41332%0.317SS..PPolyproline II helixtrans-60142.4164.2163.70000109.5M67 V68 V69S65-M67 PolarHBondContact O-N 2.96Å; S65-M67 PolarHBondContact OG-N 3.03Å; S65-V68 WeakPolarHBondContact O-CB 3.35Å; S65-V68 PolarHBondContact O-N 3.25Å; S65-V69 PolarHBondContact O-N 2.76Å
66P90.7Very high82.8Confident70 Ų7054.1 Ų54.146%0.45529%0.288SS..Hα-helixtrans-51.9-30.7173.2-2735000113.7M1 V68 V69 E70M1-P66 HydrophobicContact CE-CB 4.28Å; M1-P66 HydrophobicContact SD-CB 4.36Å; P66-V68 PolarHBondContact O-N 3.07Å; P66-V69 PolarHBondContact O-N 3.23Å; P66-E70 PolarHBondContact O-N 2.92Å
67M92.7Very high84.8Confident155 Ų15555.3 Ų55.376%0.76428%0.283SS*.Hα-helixtrans-66.4-36.1176.8-63.7-175.87000112.8S65 A71S65-M67 PolarHBondContact O-N 2.96Å; S65-M67 PolarHBondContact OG-N 3.03Å; M67-A71 WeakPolarHBondContact O-CB 3.49Å; M67-A71 PolarHBondContact O-N 3.43Å
68V93Very high86.8Confident37 Ų3756.2 Ų56.222%0.22430%0.296CS..Hα-helixtrans-70.1-40.2177.3178.40000109.7L64 S65 P66 A71 I72 L148L64-V68 HydrophobicContact CB-CB 4.4Å; L64-V68 HydrophobicContact CD1-CG1 4.13Å; L64-V68 HydrophobicContact CD2-CG1 4.17Å; S65-V68 WeakPolarHBondContact O-CB 3.35Å; S65-V68 PolarHBondContact O-N 3.25Å; P66-V68 PolarHBondContact O-N 3.07Å; V68-A71 PolarHBondContact O-N 3.26Å; V68-I72 HydrophobicContact CG1-CD1 4.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.39Å; V68-I72 PolarHBondContact O-N 3.5Å; V68-L148 HydrophobicContact CG1-CD1 3.84Å; V68-L148 HydrophobicContact CG1-CD2 4.35Å
69V94.2Very high88.5Confident4 Ų455.5 Ų55.52%0.02429%0.294CS..Hα-helixtrans-63.9-42.4176.3-179.30000110.9F4 N29 L64 S65 P66 A71 I72 R73F4-V69 HydrophobicContact CD1-CG1 3.7Å; F4-V69 HydrophobicContact CE1-CG1 4.3Å; F4-V69 HydrophobicContact CG-CG1 4.39Å; N29-V69 HydrophobicContact CB-CG2 4.09Å; L64-V69 HydrophobicContact CB-CG2 3.83Å; L64-V69 HydrophobicContact CD1-CG2 4.13Å; S65-V69 PolarHBondContact O-N 2.76Å; P66-V69 PolarHBondContact O-N 3.23Å; V69-A71 PolarHBondContact O-N 3.05Å; V69-I72 PolarHBondContact O-N 3.33Å; V69-R73 WeakPolarHBondContact O-CG 3.44Å; V69-R73 PolarHBondContact O-N 3.24Å
70E94.4Very high90.4Very high49 Ų4957.7 Ų57.723%0.22931%0.307CS..Hα-helixtrans-64.6-40.3175.9-163.161.9-158.900111.9M1 P66 I72 R73 D74 R77M1-E70 HydrophobicContact CE-CB 4.04Å; M1-E70 HydrophobicContact CE-CG 4.42Å; M1-E70 WeakPolarHBondContact CE-OE2 3.34Å; P66-E70 PolarHBondContact O-N 2.92Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 3Å; E70-R73 CarbonylContact O-C 3.5Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 IonicContact OE2-NE 3.64Å; E70-D74 PolarHBondContact O-N 3.15Å; E70-R77 IonicContact OE1-CZ 3.68Å; E70-R77 IonicContact OE1-NH1 2.78Å; E70-R77 PolarHBondContact OE1-NH1 3.39Å
71A94.9Very high91.9Very high52 Ų5256.8 Ų56.843%0.4330%0.304SS..Hα-helixtrans-60.6-37.6175.400000112.6M67 V68 V69 R75M67-A71 WeakPolarHBondContact O-CB 3.49Å; M67-A71 PolarHBondContact O-N 3.43Å; V68-A71 PolarHBondContact O-N 3.26Å; V69-A71 PolarHBondContact O-N 3.05Å; A71-R75 PolarHBondContact O-N 3.49Å; A71-R75 VanDerWaalsContact O-N 3.12Å
72I96.4Very high93.3Very high4 Ų455 Ų552%0.02130%0.295CS..Hα-helixtrans-66.6-45.2173.8-65.8169.1000110.2F4 L6 V25 L64 V68 V69 E70 D74 R75 V76 L141 I144F4-I72 HydrophobicContact CE1-CB 4.49Å; F4-I72 HydrophobicContact CE1-CG2 3.89Å; F4-I72 HydrophobicContact CZ-CG2 3.71Å; L6-I72 HydrophobicContact CD1-CG2 4.1Å; V25-I72 HydrophobicContact CG2-CD1 4.12Å; L64-I72 HydrophobicContact CD1-CD1 4.22Å; V68-I72 HydrophobicContact CG1-CD1 4.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.39Å; V68-I72 PolarHBondContact O-N 3.5Å; V69-I72 PolarHBondContact O-N 3.33Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 3Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 3.02Å; I72-R75 PolarHBondContact O-N 3.49Å; I72-R75 VanDerWaalsContact O-N 3.15Å; I72-V76 WeakPolarHBondContact O-CG2 3.4Å; I72-V76 PolarHBondContact O-N 3.37Å; I72-L141 HydrophobicContact CG2-CD2 3.77Å; I72-I144 HydrophobicContact CD1-CG2 4.38Å; I72-I144 HydrophobicContact CG1-CD1 4.3Å; I72-I144 HydrophobicContact CG1-CG2 4.2Å
73R95.7Very high94.4Very high4 Ų462 Ų622%0.01532%0.324CS..Hα-helixtrans-58.8-43.2176.5-72.7174.665.495.71.7111.9R3 F4 V69 E70 R75 V76 R77 M104 D105R3-R73 PolarHBondContact O-NH1 2.99Å; F4-R73 HydrophobicContact CD1-CG 4.13Å; F4-R73 HydrophobicContact CD2-CG 3.51Å; F4-R73 HydrophobicContact CE1-CG 4.19Å; F4-R73 HydrophobicContact CE2-CG 3.6Å; F4-R73 HydrophobicContact CG-CG 3.8Å; F4-R73 HydrophobicContact CZ-CG 3.95Å; V69-R73 WeakPolarHBondContact O-CG 3.44Å; V69-R73 PolarHBondContact O-N 3.24Å; E70-R73 CarbonylContact O-C 3.5Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 IonicContact OE2-NE 3.64Å; R73-R75 VanDerWaalsContact C-N 3.28Å; R73-R75 PolarHBondContact O-N 2.86Å; R73-V76 PolarHBondContact O-N 3.47Å; R73-R77 WeakPolarHBondContact O-CG 3.5Å; R73-R77 PolarHBondContact O-N 3.39Å; R73-M104 HydrophobicContact CB-SD 4.37Å; R73-M104 HydrophobicContact CG-SD 4.46Å; R73-D105 IonicContact CZ-OD1 3.13Å; R73-D105 IonicContact NH1-OD1 3.47Å; R73-D105 IonicContact NH2-OD1 3.96Å; R73-D105 PolarHBondContact NH2-OD1 3.2Å; R73-D105 IonicContact NH2-OD2 3.87Å; R73-D105 PolarHBondContact NH2-OD2 3.02Å
74D96.3Very high94.9Very high81 Ų8157.3 Ų57.343%0.43330%0.298SS..Hα-helixtrans-63.5-36.7177.4-72.7-17.9000111.4E70 I72 R77 S78E70-D74 PolarHBondContact O-N 3.15Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 3.02Å; D74-R77 PolarHBondContact O-N 3.3Å; D74-R77 IonicContact OD1-NH1 3.68Å; D74-R77 PolarHBondContact OD1-NH1 3.11Å; D74-S78 VanDerWaalsContact O-CB 3.31Å; D74-S78 WeakPolarHBondContact O-CB 3.34Å; D74-S78 PolarHBondContact O-N 3.22Å; D74-S78 PolarHBondContact O-OG 3.49Å
75R97.1Very high95.3Very high98 Ų9860.7 Ų60.737%0.3732%0.316SS..Hα-helixtrans-67.2-42.2174.7-162.565.1-172158.8-6.4112.6A71 I72 R73 S78 S79 L137 D140A71-R75 PolarHBondContact O-N 3.49Å; A71-R75 VanDerWaalsContact O-N 3.12Å; I72-R75 PolarHBondContact O-N 3.49Å; I72-R75 VanDerWaalsContact O-N 3.15Å; R73-R75 VanDerWaalsContact C-N 3.28Å; R73-R75 PolarHBondContact O-N 2.86Å; R75-S78 WeakPolarHBondContact CA-OG 3.47Å; R75-S78 PolarHBondContact O-OG 3.05Å; R75-S79 WeakPolarHBondContact O-CB 3.17Å; R75-S79 PolarHBondContact O-N 3.21Å; R75-S79 VanDerWaalsContact O-N 3.12Å; R75-S79 PolarHBondContact O-OG 3.01Å; R75-L137 HydrophobicContact CG-CD1 4.07Å; R75-D140 HydrophobicContact CG-CB 3.81Å; R75-D140 IonicContact CZ-OD2 3.85Å; R75-D140 IonicContact NE-OD1 3.41Å; R75-D140 IonicContact NE-OD2 2.92Å; R75-D140 PolarHBondContact NE-OD2 3.27Å; R75-D140 IonicContact NH2-OD1 3.22Å; R75-D140 IonicContact NH2-OD2 2.65Å; R75-D140 PolarHBondContact NH2-OD2 3.48Å
76V97.1Very high95.7Very high0 Ų059.8 Ų59.80%031%0.307CS..Hα-helixtrans-60.5-48.7173.7173.90000110.6L6 I72 R73 S78 S79 I81 F82 I102 M104 L137L6-V76 HydrophobicContact CD1-CG2 3.83Å; I72-V76 WeakPolarHBondContact O-CG2 3.4Å; I72-V76 PolarHBondContact O-N 3.37Å; R73-V76 PolarHBondContact O-N 3.47Å; V76-S78 PolarHBondContact O-N 3.12Å; V76-S79 PolarHBondContact O-N 3.12Å; V76-S79 PolarHBondContact O-OG 3.28Å; V76-I81 HydrophobicContact CG1-CG2 3.94Å; V76-F82 HydrophobicContact CG1-CD2 4.37Å; V76-F82 HydrophobicContact CG1-CE2 3.51Å; V76-F82 HydrophobicContact CG1-CZ 4.02Å; V76-I102 HydrophobicContact CG1-CD1 3.93Å; V76-I102 HydrophobicContact CG1-CG2 4.06Å; V76-I102 HydrophobicContact CG2-CD1 3.99Å; V76-M104 HydrophobicContact CG1-SD 4.45Å; V76-L137 HydrophobicContact CG2-CD1 4.36Å
77R95.4Very high96Very high100 Ų10060.9 Ų60.938%0.37732%0.316SS..Hα-helixtrans-60.1-48.9179.1-73.8170.5178.5155.1-6.3112.5E70 R73 D74 S79 E80 M104 D105E70-R77 IonicContact OE1-CZ 3.68Å; E70-R77 IonicContact OE1-NH1 2.78Å; E70-R77 PolarHBondContact OE1-NH1 3.39Å; R73-R77 WeakPolarHBondContact O-CG 3.5Å; R73-R77 PolarHBondContact O-N 3.39Å; D74-R77 PolarHBondContact O-N 3.3Å; D74-R77 IonicContact OD1-NH1 3.68Å; D74-R77 PolarHBondContact OD1-NH1 3.11Å; R77-S79 PolarHBondContact O-N 3.09Å; R77-E80 PolarHBondContact O-N 3.23Å; R77-M104 HydrophobicContact CG-CE 3.46Å; R77-M104 VanDerWaalsContact CG-CE 3.46Å; R77-M104 HydrophobicContact CG-SD 3.86Å; R77-D105 IonicContact NH2-OD2 2.86Å
78S96.7Very high96.1Very high74 Ų7456.7 Ų56.752%0.51730%0.299SS..Hα-helixtrans-70.4-13.4-17857.40000114.1D74 R75 V76D74-S78 VanDerWaalsContact O-CB 3.31Å; D74-S78 WeakPolarHBondContact O-CB 3.34Å; D74-S78 PolarHBondContact O-N 3.22Å; D74-S78 PolarHBondContact O-OG 3.49Å; R75-S78 WeakPolarHBondContact CA-OG 3.47Å; R75-S78 PolarHBondContact O-OG 3.05Å; V76-S78 PolarHBondContact O-N 3.12Å
79S97.1Very high96.3Very high20 Ų2055.3 Ų55.314%0.1429%0.29CS..THydrogen-bonded Turntrans-82.6-14176.368.50000113.7R75 V76 R77 I81 T133R75-S79 WeakPolarHBondContact O-CB 3.17Å; R75-S79 PolarHBondContact O-N 3.21Å; R75-S79 VanDerWaalsContact O-N 3.12Å; R75-S79 PolarHBondContact O-OG 3.01Å; V76-S79 PolarHBondContact O-N 3.12Å; V76-S79 PolarHBondContact O-OG 3.28Å; R77-S79 PolarHBondContact O-N 3.09Å; S79-I81 PolarHBondContact O-N 3.16Å; S79-I81 VanDerWaalsContact O-N 3.09Å; S79-I81 WeakPolarHBondContact OG-CB 3.3Å; S79-I81 WeakPolarHBondContact OG-CG2 3.23Å; S79-I81 PolarHBondContact OG-N 2.88Å; S79-T133 WeakPolarHBondContact O-CG2 3.38Å
80E96.1Very high96.4Very high138 Ų13857.7 Ų57.765%0.64531%0.306SS*.THydrogen-bonded Turntrans59.916.8-175.7-55.7177.8172.300113.8R77 F82 E83R77-E80 PolarHBondContact O-N 3.23Å; E80-F82 PolarHBondContact O-N 3.1Å; E80-E83 WeakPolarHBondContact O-CB 3.41Å; E80-E83 PolarHBondContact O-N 3.03Å
81I97.6Very high96.4Very high0 Ų062.2 Ų62.20%033%0.327CS..G310 helixtrans-58-20.8-176.7-166.161.7000114.6V76 S79 E83 E84 L100 I102 I109 F111 T133 F134 L137V76-I81 HydrophobicContact CG1-CG2 3.94Å; S79-I81 PolarHBondContact O-N 3.16Å; S79-I81 VanDerWaalsContact O-N 3.09Å; S79-I81 WeakPolarHBondContact OG-CB 3.3Å; S79-I81 WeakPolarHBondContact OG-CG2 3.23Å; S79-I81 PolarHBondContact OG-N 2.88Å; I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 PolarHBondContact O-N 2.86Å; I81-E84 HydrophobicContact CD1-CG 4.33Å; I81-E84 PolarHBondContact O-N 2.93Å; I81-L100 HydrophobicContact CG1-CD2 4.42Å; I81-I102 HydrophobicContact CG2-CD1 4.4Å; I81-I109 HydrophobicContact CB-CD1 4.48Å; I81-I109 HydrophobicContact CG1-CD1 3.82Å; I81-I109 HydrophobicContact CG2-CD1 4.02Å; I81-F111 HydrophobicContact CD1-CD2 4.32Å; I81-F111 HydrophobicContact CD1-CE2 3.71Å; I81-F111 HydrophobicContact CG1-CE2 3.77Å; I81-T133 HydrophobicContact CD1-CG2 4.06Å; I81-F134 HydrophobicContact CD1-CB 4.19Å; I81-F134 HydrophobicContact CD1-CD2 4.43Å; I81-L137 HydrophobicContact CB-CD2 3.77Å; I81-L137 HydrophobicContact CD1-CD2 4.25Å; I81-L137 HydrophobicContact CG1-CD2 3.66Å; I81-L137 HydrophobicContact CG2-CD2 3.8Å
82F96.9Very high96.4Very high39 Ų3962.3 Ų62.317%0.17132%0.323CS..G310 helixtrans-74.7-14.7177-72.2-71.5000113.6V76 E80 I102 M104 H107 I109V76-F82 HydrophobicContact CG1-CD2 4.37Å; V76-F82 HydrophobicContact CG1-CE2 3.51Å; V76-F82 HydrophobicContact CG1-CZ 4.02Å; E80-F82 PolarHBondContact O-N 3.1Å; F82-I102 HydrophobicContact CE1-CG2 4.44Å; F82-I102 HydrophobicContact CZ-CB 4.41Å; F82-I102 HydrophobicContact CZ-CG2 3.81Å; F82-M104 HydrophobicContact CD2-CE 4.26Å; F82-M104 HydrophobicContact CE2-CB 4.29Å; F82-M104 HydrophobicContact CE2-CE 3.45Å; F82-M104 VanDerWaalsContact CE2-CE 3.45Å; F82-M104 HydrophobicContact CE2-SD 4.39Å; F82-M104 HydrophobicContact CZ-CB 3.79Å; F82-M104 HydrophobicContact CZ-CE 4.12Å; F82-H107 HydrophobicContact CD1-CB 3.58Å; F82-H107 HydrophobicContact CE1-CB 3.48Å; F82-H107 VanDerWaalsContact CE1-CB 3.48Å; F82-H107 HydrophobicContact CG-CB 4.25Å; F82-H107 HydrophobicContact CZ-CB 4.07Å; F82-I109 HydrophobicContact CD1-CD1 4.31Å; F82-I109 HydrophobicContact CD1-CG1 4.11Å; F82-I109 HydrophobicContact CD1-CG2 3.71Å; F82-I109 HydrophobicContact CE1-CD1 4.31Å; F82-I109 HydrophobicContact CE1-CG1 3.88Å; F82-I109 HydrophobicContact CE1-CG2 4.21Å
83E96.1Very high96.3Very high159 Ų15965.8 Ų65.874%0.74334%0.341SS*.G310 helixtrans-90.2-6.9176.6-53.3-58.7143.800112.2E80 I81E80-E83 WeakPolarHBondContact O-CB 3.41Å; E80-E83 PolarHBondContact O-N 3.03Å; I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 PolarHBondContact O-N 2.86Å
84E97.2Very high95.9Very high43 Ų4376.2 Ų76.220%0.20138%0.381CS..  trans-92.5159.4-177.6-52.8-66.5-173.700111.8I81 W89 F111 G130 T133I81-E84 HydrophobicContact CD1-CG 4.33Å; I81-E84 PolarHBondContact O-N 2.93Å; E84-W89 HydrophobicContact CB-CZ2 4.26Å; E84-F111 HydrophobicContact CB-CE2 4.48Å; E84-F111 HydrophobicContact CB-CZ 4.26Å; E84-F111 VanDerWaalsContact O-CZ 3.29Å; E84-F111 WeakPolarHBondContact O-CZ 3.08Å; E84-G130 WeakPolarHBondContact OE2-CA 3.48Å; E84-T133 HydrophobicContact CG-CG2 3.95Å; E84-T133 WeakPolarHBondContact OE1-CB 3.16Å; E84-T133 PolarHBondContact OE1-OG1 2.75Å
85D96.7Very high95.6Very high88 Ų8877.7 Ų77.747%0.47139%0.388SS..  trans-143.1134.9-179.9-174.3-76.7000110.7S87 W89D85-S87 WeakPolarHBondContact OD1-CA 3.32Å; D85-S87 WeakPolarHBondContact OD1-CB 3.27Å; D85-S87 PolarHBondContact OD1-N 2.93Å; D85-S87 PolarHBondContact OD1-OG 2.8Å; D85-W89 PolarHBondContact O-NE1 2.78Å
86D96.9Very high95.4Very high41 Ų4173.2 Ų73.222%0.21937%0.372CS..  trans-89.63.3-174.270.5-27.7000114.6V88 W89 F111 T112D86-V88 PolarHBondContact O-N 3.42Å; D86-W89 HydrophobicContact CB-CB 4.32Å; D86-W89 HydrophobicContact CB-CD2 3.71Å; D86-W89 HydrophobicContact CB-CE3 3.49Å; D86-W89 VanDerWaalsContact CB-CE3 3.49Å; D86-W89 HydrophobicContact CB-CG 4.09Å; D86-W89 HydrophobicContact CB-CZ3 3.98Å; D86-W89 WeakPolarHBondContact O-CB 3.4Å; D86-W89 PolarHBondContact O-N 2.91Å; D86-F111 HydrophobicContact CB-CB 4.11Å; D86-F111 HydrophobicContact CB-CD1 3.79Å; D86-F111 HydrophobicContact CB-CG 4.18Å; D86-F111 VanDerWaalsContact OD2-CA 3.24Å; D86-F111 WeakPolarHBondContact OD2-CA 3.33Å; D86-T112 PolarHBondContact OD2-N 3.07Å
87S96.4Very high95.4Very high92 Ų9274 Ų7464%0.64338%0.379SS*.THydrogen-bonded Turntrans-58.4-23.3-175.357.10000115.3D85D85-S87 WeakPolarHBondContact OD1-CA 3.32Å; D85-S87 WeakPolarHBondContact OD1-CB 3.27Å; D85-S87 PolarHBondContact OD1-N 2.93Å; D85-S87 PolarHBondContact OD1-OG 2.8Å
88V96.4Very high95.5Very high67 Ų6769.6 Ų69.641%0.40636%0.362SS..THydrogen-bonded Turntrans-113.24.6178.4-61.40000113D86 N126 D127D86-V88 PolarHBondContact O-N 3.42Å; V88-N126 HydrophobicContact CB-CB 4.13Å; V88-N126 HydrophobicContact CG2-CB 4.44Å; V88-N126 PolarHBondContact O-ND2 2.9Å; V88-D127 HydrophobicContact CG2-CB 3.64Å
89W96.3Very high95.5Very high9 Ų968.9 Ų68.93%0.03435%0.351CS..SBendtrans-74.8155.9178.6-67.25.5000110.9E84 D85 D86 E91 F111 C113 D127 M131 F134E84-W89 HydrophobicContact CB-CZ2 4.26Å; D85-W89 PolarHBondContact O-NE1 2.78Å; D86-W89 HydrophobicContact CB-CB 4.32Å; D86-W89 HydrophobicContact CB-CD2 3.71Å; D86-W89 HydrophobicContact CB-CE3 3.49Å; D86-W89 VanDerWaalsContact CB-CE3 3.49Å; D86-W89 HydrophobicContact CB-CG 4.09Å; D86-W89 HydrophobicContact CB-CZ3 3.98Å; D86-W89 WeakPolarHBondContact O-CB 3.4Å; D86-W89 PolarHBondContact O-N 2.91Å; W89-E91 PolarHBondContact O-N 3.36Å; W89-F111 AromaticContact CH2-CD2 3.78Å; W89-F111 HydrophobicContact CH2-CD2 3.78Å; W89-F111 HydrophobicContact CH2-CE2 4.02Å; W89-F111 HydrophobicContact CH2-CG 4.18Å; W89-F111 HydrophobicContact CZ3-CB 3.91Å; W89-F111 AromaticContact CZ3-CD2 3.88Å; W89-F111 HydrophobicContact CZ3-CD2 3.88Å; W89-F111 AromaticContact CZ3-CG 3.93Å; W89-F111 HydrophobicContact CZ3-CG 3.93Å; W89-C113 HydrophobicContact CB-CB 4.19Å; W89-C113 HydrophobicContact CE3-CB 4Å; W89-D127 PolarHBondContact NE1-OD2 2.9Å; W89-M131 HydrophobicContact CD2-CE 4.49Å; W89-M131 HydrophobicContact CD2-CG 4.24Å; W89-M131 HydrophobicContact CE3-CE 4.41Å; W89-M131 HydrophobicContact CG-CG 4.12Å; W89-F134 HydrophobicContact CH2-CB 3.63Å; W89-F134 AromaticContact CH2-CD2 3.91Å; W89-F134 HydrophobicContact CH2-CD2 3.91Å; W89-F134 AromaticContact CH2-CG 3.93Å; W89-F134 HydrophobicContact CH2-CG 3.93Å; W89-F134 HydrophobicContact CZ2-CB 4.36Å; W89-F134 HydrophobicContact CZ3-CB 4Å; W89-F134 HydrophobicContact CZ3-CD1 4.43Å; W89-F134 AromaticContact CZ3-CD2 3.67Å; W89-F134 HydrophobicContact CZ3-CD2 3.67Å; W89-F134 HydrophobicContact CZ3-CE2 4.2Å; W89-F134 AromaticContact CZ3-CG 3.79Å; W89-F134 HydrophobicContact CZ3-CG 3.79Å
90P95.6Very high95.6Very high54 Ų5468 Ų6835%0.35134%0.344SS..PPolyproline II helixtrans-63.1131.1178.8-21.533.3000111.5C113 A114 M131P90-C113 CarbonylContact O-C 3.57Å; P90-C113 WeakPolarHBondContact O-CA 3.33Å; P90-A114 HydrophobicContact CB-CB 3.89Å; P90-A114 PolarHBondContact O-N 2.92Å; P90-M131 HydrophobicContact CG-SD 4.35Å
91E95.3Very high95.7Very high144 Ų14463.5 Ų63.567%0.67332%0.324SS*.PPolyproline II helixtrans-66.9148178.8-70.6-70.4163.300113.1W89 N93 A114W89-E91 PolarHBondContact O-N 3.36Å; E91-N93 PolarHBondContact O-N 2.72Å; E91-A114 WeakPolarHBondContact O-CB 3.31Å
92P95.7Very high95.7Very high53 Ų5363.5 Ų63.534%0.34432%0.324SS..PPolyproline II helixtrans-46.6136.3170.9-30.837.4000113.4A97 T112P92-A97 HydrophobicContact CB-CB 3.8Å; P92-A97 HydrophobicContact CG-CB 4.15Å; P92-T112 HydrophobicContact CG-CG2 3.49Å; P92-T112 VanDerWaalsContact CG-CG2 3.49Å
93N92.7Very high95.8Very high77 Ų7762.7 Ų62.741%0.41232%0.322SS..BIsolated β-bridgetrans-141.8-173.8-177.468.155.5000112.1E91 L95 G96E91-N93 PolarHBondContact O-N 2.72Å; N93-L95 PolarHBondContact O-N 3.31Å; N93-L95 VanDerWaalsContact O-N 3.13Å; N93-L95 WeakPolarHBondContact OD1-CA 3.43Å; N93-L95 WeakPolarHBondContact OD1-CB 3.38Å; N93-L95 PolarHBondContact OD1-N 3.07Å; N93-G96 PolarHBondContact N-O 2.96Å; N93-G96 PolarHBondContact O-N 3.45Å
94R88.4Confident95.7Very high224 Ų22455.6 Ų55.685%0.84529%0.289SS*.THydrogen-bonded Turntrans-57.1-26.6-178.965.1176.8179.5155.2-0.5114.6G96R94-G96 VanDerWaalsContact C-N 3.29Å
95L89.6Confident95.4Very high112 Ų11256.3 Ų56.359%0.58629%0.294SS*.THydrogen-bonded Turntrans-76.1-22178.5-58.6175.9000111.8H12 N93H12-L95 VanDerWaalsContact CB-O 3.24Å; H12-L95 WeakPolarHBondContact CB-O 3.16Å; N93-L95 PolarHBondContact O-N 3.31Å; N93-L95 VanDerWaalsContact O-N 3.13Å; N93-L95 WeakPolarHBondContact OD1-CA 3.43Å; N93-L95 WeakPolarHBondContact OD1-CB 3.38Å; N93-L95 PolarHBondContact OD1-N 3.07Å
96G93.7Very high95.2Very high3 Ų360 Ų603%0.03131%0.314CS..BIsolated β-bridgetrans142.5177174.500000113.7G11 H12 N93 R94 K115G11-G96 CarbonylContact O-C 3.54Å; G11-G96 WeakPolarHBondContact O-CA 3.37Å; H12-G96 VanDerWaalsContact CB-CA 3.47Å; N93-G96 PolarHBondContact N-O 2.96Å; N93-G96 PolarHBondContact O-N 3.45Å; R94-G96 VanDerWaalsContact C-N 3.29Å; G96-K115 PolarHBondContact O-N 3.4Å
97A96Very high95.1Very high17 Ų1762.9 Ų62.914%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-129.7151.6177.400000109.7C10 G11 P92 C113C10-A97 WeakPolarHBondContact CA-O 3.33Å; G11-A97 PolarHBondContact N-O 2.98Å; G11-A97 PolarHBondContact O-N 3.46Å; P92-A97 HydrophobicContact CB-CB 3.8Å; P92-A97 HydrophobicContact CG-CB 4.15Å; A97-C113 CarbonylContact C-O 3.54Å; A97-C113 WeakPolarHBondContact CA-O 3.41Å
98Q97.3Very high95.2Very high8 Ų864 Ų644%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-125.3140.6167-70.2177.9-79.500108.9Y8 Y9 C10 T112 C113 A114 T116 F134Y8-Q98 PolarHBondContact OH-NE2 2.94Å; Y9-Q98 CarbonylContact O-C 3.59Å; Y9-Q98 VanDerWaalsContact O-CA 3.31Å; Y9-Q98 WeakPolarHBondContact O-CA 3.3Å; C10-Q98 HydrophobicContact CB-CG 4.12Å; Q98-T112 WeakPolarHBondContact O-CA 3.18Å; Q98-C113 PolarHBondContact N-O 3.32Å; Q98-C113 PolarHBondContact O-N 3.45Å; Q98-A114 PolarHBondContact OE1-O 2.65Å; Q98-T116 PolarHBondContact OE1-OG1 3.06Å; Q98-F134 HydrophobicContact CB-CE1 4.4Å; Q98-F134 HydrophobicContact CB-CZ 4.16Å
99E98.1Very high95.2Very high58 Ų5861.7 Ų61.727%0.27131%0.306SS..EExtended strand (participates in β ladder)trans-132.1137.3174.7-58.8169.9-161.500108.4R7 Y8 Y9 F111 T112R7-E99 IonicContact CZ-OE2 3.9Å; R7-E99 IonicContact NH1-OE2 3.69Å; R7-E99 PolarHBondContact NH1-OE2 2.9Å; R7-E99 VanDerWaalsContact NH1-OE2 3.1Å; R7-E99 IonicContact NH2-OE2 2.85Å; R7-E99 PolarHBondContact NH2-OE2 2.99Å; Y8-E99 WeakPolarHBondContact CA-O 3.35Å; Y8-E99 WeakPolarHBondContact CD2-O 3.41Å; Y9-E99 HydrophobicContact CD1-CB 4.42Å; Y9-E99 HydrophobicContact CD1-CG 4.12Å; Y9-E99 PolarHBondContact N-O 3.24Å; Y9-E99 PolarHBondContact O-N 3.47Å; E99-F111 VanDerWaalsContact CA-O 3.28Å; E99-F111 WeakPolarHBondContact CA-O 3.3Å; E99-T112 HydrophobicContact CG-CG2 4.4Å
100L98.4Very high95.3Very high1 Ų164.4 Ų64.41%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-135119.9173.7-179.865.7000108.9R7 Y8 I81 I102 S110 F111 F134 L137 L141R7-L100 WeakPolarHBondContact O-CA 3.23Å; Y8-L100 HydrophobicContact CD2-CD1 4.33Å; I81-L100 HydrophobicContact CG1-CD2 4.42Å; L100-I102 HydrophobicContact CD1-CD1 4.13Å; L100-I102 HydrophobicContact CD1-CG1 4.07Å; L100-I102 HydrophobicContact CD2-CD1 4.1Å; L100-I102 HydrophobicContact CG-CD1 4.12Å; L100-I102 HydrophobicContact CG-CG1 4.06Å; L100-S110 CarbonylContact O-C 3.51Å; L100-S110 WeakPolarHBondContact O-CA 3.41Å; L100-F111 PolarHBondContact N-O 3.45Å; L100-F111 PolarHBondContact O-N 2.93Å; L100-F134 HydrophobicContact CB-CD2 4.49Å; L100-F134 HydrophobicContact CB-CE2 3.59Å; L100-F134 HydrophobicContact CB-CZ 4.36Å; L100-F134 HydrophobicContact CD2-CD2 3.87Å; L100-F134 HydrophobicContact CD2-CE2 3.72Å; L100-F134 HydrophobicContact CG-CE2 4.32Å; L100-L137 HydrophobicContact CD2-CD2 4.09Å; L100-L141 HydrophobicContact CD1-CD1 4.37Å
101E98.5Very high95.4Very high45 Ų4562.2 Ų62.221%0.2131%0.311CS..EExtended strand (participates in β ladder)trans-120.6128.9175.2-174.5178.3-172.300109.3Y5 L6 R7 H108 I109Y5-E101 HydrophobicContact CD1-CG 4.4Å; Y5-E101 HydrophobicContact CE1-CB 4.47Å; Y5-E101 HydrophobicContact CE1-CG 4.12Å; L6-E101 CarbonylContact C-O 3.47Å; L6-E101 WeakPolarHBondContact CA-O 3.38Å; R7-E101 HydrophobicContact CB-CB 4.47Å; R7-E101 PolarHBondContact N-O 2.92Å; R7-E101 IonicContact NE-OE2 3.1Å; R7-E101 PolarHBondContact O-N 3.44Å; E101-H108 IonicContact OE1-CE1 3.78Å; E101-H108 IonicContact OE1-NE2 3.03Å; E101-H108 PolarHBondContact OE1-NE2 3.37Å; E101-H108 VanDerWaalsContact OE1-NE2 3.09Å; E101-I109 WeakPolarHBondContact CA-O 3.45Å
102I98.1Very high95.5Very high0 Ų058 Ų580%030%0.295CS..EExtended strand (participates in β ladder)trans-135.2127-179.8-52.2-175.4000109.2F4 Y5 L6 V76 I81 F82 L100 M104 H108 I109 L137F4-I102 HydrophobicContact CE2-CG2 4.38Å; Y5-I102 WeakPolarHBondContact O-CA 3.26Å; L6-I102 HydrophobicContact CD1-CD1 3.96Å; L6-I102 HydrophobicContact CD1-CG1 4.14Å; L6-I102 HydrophobicContact CG-CD1 4.49Å; L6-I102 HydrophobicContact CG-CG1 4.16Å; V76-I102 HydrophobicContact CG1-CD1 3.93Å; V76-I102 HydrophobicContact CG1-CG2 4.06Å; V76-I102 HydrophobicContact CG2-CD1 3.99Å; I81-I102 HydrophobicContact CG2-CD1 4.4Å; F82-I102 HydrophobicContact CE1-CG2 4.44Å; F82-I102 HydrophobicContact CZ-CB 4.41Å; F82-I102 HydrophobicContact CZ-CG2 3.81Å; L100-I102 HydrophobicContact CD1-CD1 4.13Å; L100-I102 HydrophobicContact CD1-CG1 4.07Å; L100-I102 HydrophobicContact CD2-CD1 4.1Å; L100-I102 HydrophobicContact CG-CD1 4.12Å; L100-I102 HydrophobicContact CG-CG1 4.06Å; I102-M104 HydrophobicContact CG2-CB 4.43Å; I102-H108 WeakPolarHBondContact O-CA 3.17Å; I102-H108 PolarHBondContact O-CD2 3.05Å; I102-I109 HydrophobicContact CB-CD1 4.24Å; I102-I109 HydrophobicContact CB-CG1 3.84Å; I102-I109 HydrophobicContact CD1-CD1 4.19Å; I102-I109 HydrophobicContact CG1-CD1 4.29Å; I102-I109 HydrophobicContact CG1-CG1 4.33Å; I102-I109 PolarHBondContact N-O 3.2Å; I102-I109 PolarHBondContact O-N 3.25Å; I102-L137 HydrophobicContact CD1-CD2 4.27Å
103V97.5Very high95.6Very high22 Ų2255.4 Ų55.413%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-114.4119.9165.5-173.20000107.8F4 Y5 H107 H108F4-V103 CarbonylContact C-O 3.55Å; F4-V103 WeakPolarHBondContact CA-O 3.39Å; Y5-V103 HydrophobicContact CD1-CG2 4.18Å; Y5-V103 PolarHBondContact N-O 3.09Å; Y5-V103 PolarHBondContact O-N 3.36Å; V103-H107 WeakPolarHBondContact CA-O 3.39Å; V103-H108 HydrophobicContact CG2-CB 4.45Å
104M95.8Very high95.7Very high10 Ų1052.3 Ų52.35%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-139.8115.8178.3-172.5-178.773.300110F4 R73 V76 R77 F82 I102 D106 H107F4-M104 HydrophobicContact CD2-CB 4.19Å; F4-M104 HydrophobicContact CD2-CG 4.09Å; F4-M104 HydrophobicContact CE2-CB 4.47Å; F4-M104 HydrophobicContact CE2-CG 4.47Å; R73-M104 HydrophobicContact CB-SD 4.37Å; R73-M104 HydrophobicContact CG-SD 4.46Å; V76-M104 HydrophobicContact CG1-SD 4.45Å; R77-M104 HydrophobicContact CG-CE 3.46Å; R77-M104 VanDerWaalsContact CG-CE 3.46Å; R77-M104 HydrophobicContact CG-SD 3.86Å; F82-M104 HydrophobicContact CD2-CE 4.26Å; F82-M104 HydrophobicContact CE2-CB 4.29Å; F82-M104 HydrophobicContact CE2-CE 3.45Å; F82-M104 VanDerWaalsContact CE2-CE 3.45Å; F82-M104 HydrophobicContact CE2-SD 4.39Å; F82-M104 HydrophobicContact CZ-CB 3.79Å; F82-M104 HydrophobicContact CZ-CE 4.12Å; I102-M104 HydrophobicContact CG2-CB 4.43Å; M104-D106 PolarHBondContact O-N 2.64Å; M104-D106 VanDerWaalsContact O-N 3.1Å; M104-H107 PolarHBondContact N-O 2.7Å; M104-H107 PolarHBondContact O-N 2.69Å
105D91Very high95.9Very high58 Ų5844.8 Ų44.831%0.3124%0.237SC..THydrogen-bonded Turntrans56.9-112.4-176.5-51.5-38.1000110G2 R3 R73 R77G2-D105 VanDerWaalsContact CA-OD1 3.29Å; G2-D105 WeakPolarHBondContact CA-OD1 3.35Å; R3-D105 PolarHBondContact O-N 3.36Å; R73-D105 IonicContact CZ-OD1 3.13Å; R73-D105 IonicContact NH1-OD1 3.47Å; R73-D105 IonicContact NH2-OD1 3.96Å; R73-D105 PolarHBondContact NH2-OD1 3.2Å; R73-D105 IonicContact NH2-OD2 3.87Å; R73-D105 PolarHBondContact NH2-OD2 3.02Å; R77-D105 IonicContact NH2-OD2 2.86Å
106D92.1Very high95.8Very high165 Ų16540.2 Ų40.288%0.88221%0.213SC*.THydrogen-bonded Turntrans-100.33.2179.3-59.7-46.9000113.7M104M104-D106 PolarHBondContact O-N 2.64Å; M104-D106 VanDerWaalsContact O-N 3.1Å
107H95.2Very high95.2Very high101 Ų10146 Ų4647%0.46824%0.243SC..EExtended strand (participates in β ladder)trans-102.2141.6-179.2-57.284.2000111.4F82 V103 M104F82-H107 HydrophobicContact CD1-CB 3.58Å; F82-H107 HydrophobicContact CE1-CB 3.48Å; F82-H107 VanDerWaalsContact CE1-CB 3.48Å; F82-H107 HydrophobicContact CG-CB 4.25Å; F82-H107 HydrophobicContact CZ-CB 4.07Å; V103-H107 WeakPolarHBondContact CA-O 3.39Å; M104-H107 PolarHBondContact N-O 2.7Å; M104-H107 PolarHBondContact O-N 2.69Å
108H97.2Very high95Very high115 Ų11547 Ų4753%0.53225%0.249SC..EExtended strand (participates in β ladder)trans-138.8127173.6179.2-156.4000109.6E101 I102 V103E101-H108 IonicContact OE1-CE1 3.78Å; E101-H108 IonicContact OE1-NE2 3.03Å; E101-H108 PolarHBondContact OE1-NE2 3.37Å; E101-H108 VanDerWaalsContact OE1-NE2 3.09Å; I102-H108 WeakPolarHBondContact O-CA 3.17Å; I102-H108 PolarHBondContact O-CD2 3.05Å; V103-H108 HydrophobicContact CG2-CB 4.45Å
109I97.5Very high94.7Very high20 Ų2049.7 Ų49.710%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-126.5150.8170.555.4165.4000109.8I81 F82 E101 I102 F111I81-I109 HydrophobicContact CB-CD1 4.48Å; I81-I109 HydrophobicContact CG1-CD1 3.82Å; I81-I109 HydrophobicContact CG2-CD1 4.02Å; F82-I109 HydrophobicContact CD1-CD1 4.31Å; F82-I109 HydrophobicContact CD1-CG1 4.11Å; F82-I109 HydrophobicContact CD1-CG2 3.71Å; F82-I109 HydrophobicContact CE1-CD1 4.31Å; F82-I109 HydrophobicContact CE1-CG1 3.88Å; F82-I109 HydrophobicContact CE1-CG2 4.21Å; E101-I109 WeakPolarHBondContact CA-O 3.45Å; I102-I109 HydrophobicContact CB-CD1 4.24Å; I102-I109 HydrophobicContact CB-CG1 3.84Å; I102-I109 HydrophobicContact CD1-CD1 4.19Å; I102-I109 HydrophobicContact CG1-CD1 4.29Å; I102-I109 HydrophobicContact CG1-CG1 4.33Å; I102-I109 PolarHBondContact N-O 3.2Å; I102-I109 PolarHBondContact O-N 3.25Å; I109-F111 HydrophobicContact CB-CE1 4.19Å; I109-F111 HydrophobicContact CB-CE2 4.47Å; I109-F111 HydrophobicContact CB-CZ 4.04Å; I109-F111 HydrophobicContact CD1-CD2 4.2Å; I109-F111 HydrophobicContact CD1-CE2 3.6Å; I109-F111 HydrophobicContact CD1-CZ 3.9Å; I109-F111 HydrophobicContact CG2-CE1 4.4Å; I109-F111 HydrophobicContact CG2-CZ 4.12Å
110S97.9Very high94.5Very high66 Ų6651.6 Ų51.646%0.46228%0.275SS..EExtended strand (participates in β ladder)trans-147.299.3174.9175.10000108.8L100L100-S110 CarbonylContact O-C 3.51Å; L100-S110 WeakPolarHBondContact O-CA 3.41Å
111F98Very high94.2Very high7 Ų754.6 Ų54.63%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-98.8145.1179.9-57.4-36.3000112I81 E84 D86 W89 E99 L100 I109 F134I81-F111 HydrophobicContact CD1-CD2 4.32Å; I81-F111 HydrophobicContact CD1-CE2 3.71Å; I81-F111 HydrophobicContact CG1-CE2 3.77Å; E84-F111 HydrophobicContact CB-CE2 4.48Å; E84-F111 HydrophobicContact CB-CZ 4.26Å; E84-F111 VanDerWaalsContact O-CZ 3.29Å; E84-F111 WeakPolarHBondContact O-CZ 3.08Å; D86-F111 HydrophobicContact CB-CB 4.11Å; D86-F111 HydrophobicContact CB-CD1 3.79Å; D86-F111 HydrophobicContact CB-CG 4.18Å; D86-F111 VanDerWaalsContact OD2-CA 3.24Å; D86-F111 WeakPolarHBondContact OD2-CA 3.33Å; W89-F111 AromaticContact CH2-CD2 3.78Å; W89-F111 HydrophobicContact CH2-CD2 3.78Å; W89-F111 HydrophobicContact CH2-CE2 4.02Å; W89-F111 HydrophobicContact CH2-CG 4.18Å; W89-F111 HydrophobicContact CZ3-CB 3.91Å; W89-F111 AromaticContact CZ3-CD2 3.88Å; W89-F111 HydrophobicContact CZ3-CD2 3.88Å; W89-F111 AromaticContact CZ3-CG 3.93Å; W89-F111 HydrophobicContact CZ3-CG 3.93Å; E99-F111 VanDerWaalsContact CA-O 3.28Å; E99-F111 WeakPolarHBondContact CA-O 3.3Å; L100-F111 PolarHBondContact N-O 3.45Å; L100-F111 PolarHBondContact O-N 2.93Å; I109-F111 HydrophobicContact CB-CE1 4.19Å; I109-F111 HydrophobicContact CB-CE2 4.47Å; I109-F111 HydrophobicContact CB-CZ 4.04Å; I109-F111 HydrophobicContact CD1-CD2 4.2Å; I109-F111 HydrophobicContact CD1-CE2 3.6Å; I109-F111 HydrophobicContact CD1-CZ 3.9Å; I109-F111 HydrophobicContact CG2-CE1 4.4Å; I109-F111 HydrophobicContact CG2-CZ 4.12Å; F111-F134 HydrophobicContact CB-CE2 4.49Å; F111-F134 HydrophobicContact CD2-CD2 4.19Å
112T97.5Very high94Very high55 Ų5552.4 Ų52.434%0.33728%0.281SS..EExtended strand (participates in β ladder)trans-136123.4173.9-58.90000109.8D86 P92 Q98 E99D86-T112 PolarHBondContact OD2-N 3.07Å; P92-T112 HydrophobicContact CG-CG2 3.49Å; P92-T112 VanDerWaalsContact CG-CG2 3.49Å; Q98-T112 WeakPolarHBondContact O-CA 3.18Å; E99-T112 HydrophobicContact CG-CG2 4.4Å
113C96.7Very high93.8Very high0 Ų055.8 Ų55.80%030%0.299CS..EExtended strand (participates in β ladder)trans-147.5171.4179.264.50000113.1W89 P90 A97 Q98W89-C113 HydrophobicContact CB-CB 4.19Å; W89-C113 HydrophobicContact CE3-CB 4Å; P90-C113 CarbonylContact O-C 3.57Å; P90-C113 WeakPolarHBondContact O-CA 3.33Å; A97-C113 CarbonylContact C-O 3.54Å; A97-C113 WeakPolarHBondContact CA-O 3.41Å; Q98-C113 PolarHBondContact N-O 3.32Å; Q98-C113 PolarHBondContact O-N 3.45Å
114A95.6Very high93.6Very high11 Ų1160.4 Ų60.49%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-62.2154.1170.600000110.6P90 E91 Q98 T116P90-A114 HydrophobicContact CB-CB 3.89Å; P90-A114 PolarHBondContact O-N 2.92Å; E91-A114 WeakPolarHBondContact O-CB 3.31Å; Q98-A114 PolarHBondContact OE1-O 2.65Å; A114-T116 PolarHBondContact O-N 2.92Å; A114-T116 VanDerWaalsContact O-N 3.07Å
115K92.3Very high93.4Very high66 Ų6660.7 Ų60.729%0.28733%0.326SS..  trans-63.6111.8174.6-172.7177.6-175.7-178.80111.8G96 L117G96-K115 PolarHBondContact O-N 3.4Å; K115-L117 HydrophobicContact CD-CD2 4.31Å; K115-L117 HydrophobicContact CG-CD2 4.3Å
116T87.3Confident93.6Very high16 Ų1664.8 Ų64.810%0.09835%0.348CS..  trans-84.4124.1171.7-48.10000110.1Q98 A114 D121 C122 M131 Y135Q98-T116 PolarHBondContact OE1-OG1 3.06Å; A114-T116 PolarHBondContact O-N 2.92Å; A114-T116 VanDerWaalsContact O-N 3.07Å; T116-D121 HydrophobicContact CG2-CB 3.96Å; T116-C122 VanDerWaalsContact CG2-SG 3.54Å; T116-M131 WeakPolarHBondContact OG1-CE 3.31Å; T116-Y135 HydrophobicContact CG2-CD2 3.82Å; T116-Y135 HydrophobicContact CG2-CE2 4.3Å
117L81.3Confident93.8Very high125 Ų12558.7 Ų58.765%0.65432%0.316SS*.  trans-105.3-23.1179.6-66.1172.1000112.3K115 D121K115-L117 HydrophobicContact CD-CD2 4.31Å; K115-L117 HydrophobicContact CG-CD2 4.3Å; L117-D121 PolarHBondContact N-OD2 3.46Å
118S91.2Very high93.9Very high39 Ų3956 Ų5627%0.27331%0.307SS..SBendtrans-150.5163.1-171.7690000112.7N120 D121S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 PolarHBondContact OG-N 2.81Å; S118-D121 PolarHBondContact N-OD2 2.83Å; S118-D121 WeakPolarHBondContact O-CB 2.9Å; S118-D121 PolarHBondContact O-N 2.96Å; S118-D121 VanDerWaalsContact O-N 3.12Å; S118-D121 VanDerWaalsContact OG-CG 3.25Å; S118-D121 PolarHBondContact OG-N 3.5Å; S118-D121 PolarHBondContact OG-OD2 2.8Å
119L92.6Very high93.8Very high63 Ų6352.3 Ų52.333%0.3330%0.3SS..Hα-helixtrans-61.8-29.3170.4-69.7172.7000112.2D121 C122 D123 R132 Y135 Y136L119-D121 PolarHBondContact O-N 2.81Å; L119-C122 VanDerWaalsContact O-CB 3.3Å; L119-C122 WeakPolarHBondContact O-CB 3.41Å; L119-C122 PolarHBondContact O-N 3.33Å; L119-D123 VanDerWaalsContact O-CG 3.29Å; L119-D123 PolarHBondContact O-N 3.25Å; L119-R132 HydrophobicContact CD2-CG 4.29Å; L119-Y135 HydrophobicContact CD2-CD1 3.6Å; L119-Y135 HydrophobicContact CD2-CE1 3.55Å; L119-Y135 HydrophobicContact CG-CD1 4.42Å; L119-Y135 HydrophobicContact CG-CE1 3.89Å; L119-Y136 HydrophobicContact CD2-CE1 4.13Å; L119-Y136 HydrophobicContact CD2-CE2 4.4Å
120N93.1Very high93.8Very high98 Ų9851.4 Ų51.452%0.52430%0.295SS..Hα-helixtrans-63.5-32.5175.6-17474.6000111.8S118 C122 D123 N124S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 PolarHBondContact OG-N 2.81Å; N120-C122 VanDerWaalsContact C-N 3.3Å; N120-D123 PolarHBondContact O-N 2.97Å; N120-N124 PolarHBondContact ND2-ND2 3.03Å; N120-N124 VanDerWaalsContact ND2-ND2 3.17Å; N120-N124 PolarHBondContact O-N 3.13Å; N120-N124 PolarHBondContact O-ND2 3.32Å; N120-N124 PolarHBondContact OD1-ND2 2.85Å
121D91.9Very high93.7Very high64 Ų6448.3 Ų48.334%0.34227%0.274SS..Hα-helixtrans-68.2-33.9174.8-54.9-45.2000111.2T116 L117 S118 L119T116-D121 HydrophobicContact CG2-CB 3.96Å; L117-D121 PolarHBondContact N-OD2 3.46Å; S118-D121 PolarHBondContact N-OD2 2.83Å; S118-D121 WeakPolarHBondContact O-CB 2.9Å; S118-D121 PolarHBondContact O-N 2.96Å; S118-D121 VanDerWaalsContact O-N 3.12Å; S118-D121 VanDerWaalsContact OG-CG 3.25Å; S118-D121 PolarHBondContact OG-N 3.5Å; S118-D121 PolarHBondContact OG-OD2 2.8Å; L119-D121 PolarHBondContact O-N 2.81Å
122C93.5Very high93.6Very high0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-67.9-46.5174.8-52.80000110.6T116 L119 N120 N124 S125 P128 M131 R132T116-C122 VanDerWaalsContact CG2-SG 3.54Å; L119-C122 VanDerWaalsContact O-CB 3.3Å; L119-C122 WeakPolarHBondContact O-CB 3.41Å; L119-C122 PolarHBondContact O-N 3.33Å; N120-C122 VanDerWaalsContact C-N 3.3Å; C122-N124 PolarHBondContact O-N 3.43Å; C122-S125 WeakPolarHBondContact O-CB 3.4Å; C122-S125 PolarHBondContact O-N 2.86Å; C122-S125 PolarHBondContact O-OG 2.82Å; C122-P128 WeakPolarHBondContact O-CA 3.15Å; C122-M131 HydrophobicContact CB-CB 3.86Å; C122-R132 HydrophobicContact CB-CG 3.91Å
123D94.1Very high93.6Very high70 Ų7052 Ų5237%0.37429%0.285SS..Hα-helixtrans-63.6-27.7-177.1-67.9-10.9000113.2L119 N120 R132L119-D123 VanDerWaalsContact O-CG 3.29Å; L119-D123 PolarHBondContact O-N 3.25Å; N120-D123 PolarHBondContact O-N 2.97Å; D123-R132 IonicContact OD1-CZ 3.75Å; D123-R132 IonicContact OD1-NE 3.9Å; D123-R132 PolarHBondContact OD1-NE 3.23Å; D123-R132 IonicContact OD1-NH2 3.8Å; D123-R132 PolarHBondContact OD1-NH2 2.99Å; D123-R132 IonicContact OD2-NH2 3.09Å
124N92.9Very high93.6Very high120 Ų12052 Ų5264%0.64229%0.285SS*.THydrogen-bonded Turntrans-925.1177.7-68.4-58.2000113.6N120 C122N120-N124 PolarHBondContact ND2-ND2 3.03Å; N120-N124 VanDerWaalsContact ND2-ND2 3.17Å; N120-N124 PolarHBondContact O-N 3.13Å; N120-N124 PolarHBondContact O-ND2 3.32Å; N120-N124 PolarHBondContact OD1-ND2 2.85Å; C122-N124 PolarHBondContact O-N 3.43Å
125S93.5Very high93.7Very high15 Ų1553.3 Ų53.311%0.10529%0.288CS..SBendtrans-85169176.176.40000112C122 D127 M131C122-S125 WeakPolarHBondContact O-CB 3.4Å; C122-S125 PolarHBondContact O-N 2.86Å; C122-S125 PolarHBondContact O-OG 2.82Å; S125-D127 PolarHBondContact O-N 3.35Å; S125-D127 PolarHBondContact OG-N 2.94Å; S125-D127 PolarHBondContact OG-O 3.29Å; S125-M131 WeakPolarHBondContact OG-CG 3.39Å
126N95Very high93.9Very high144 Ų14455.2 Ų55.277%0.7729%0.294SS*.SBendtrans-74.3-11.5174.3-61.5-46.7000113V88V88-N126 HydrophobicContact CB-CB 4.13Å; V88-N126 HydrophobicContact CG2-CB 4.44Å; V88-N126 PolarHBondContact O-ND2 2.9Å
127D96.4Very high94.4Very high38 Ų3854.6 Ų54.620%0.20329%0.29CS..  trans-139.379.8175.4172.530.5000110.8V88 W89 S125 G129 G130 M131V88-D127 HydrophobicContact CG2-CB 3.64Å; W89-D127 PolarHBondContact NE1-OD2 2.9Å; S125-D127 PolarHBondContact O-N 3.35Å; S125-D127 PolarHBondContact OG-N 2.94Å; S125-D127 PolarHBondContact OG-O 3.29Å; D127-G129 PolarHBondContact O-N 2.86Å; D127-G129 PolarHBondContact OD1-N 3.47Å; D127-G130 PolarHBondContact OD1-N 2.95Å; D127-G130 VanDerWaalsContact OD1-N 3.07Å; D127-G130 VanDerWaalsContact OD2-CA 3.27Å; D127-G130 WeakPolarHBondContact OD2-CA 3.24Å; D127-G130 PolarHBondContact OD2-N 2.82Å; D127-M131 VanDerWaalsContact O-CB 3.3Å; D127-M131 WeakPolarHBondContact O-CB 3.39Å; D127-M131 WeakPolarHBondContact O-CG 3.28Å; D127-M131 PolarHBondContact O-N 2.91Å; D127-M131 VanDerWaalsContact O-N 3.11Å
128P96.1Very high95.1Very high43 Ų4348.9 Ų48.928%0.27926%0.26SS..Hα-helixtrans-63.1-25.3177.9-24.936.1000114.1C122 R132C122-P128 WeakPolarHBondContact O-CA 3.15Å; P128-R132 WeakPolarHBondContact O-CB 3.13Å; P128-R132 WeakPolarHBondContact O-CG 3.4Å; P128-R132 PolarHBondContact O-N 2.96Å
129G96.3Very high95.3Very high39 Ų3951.2 Ų51.240%0.40227%0.267SS..Hα-helixtrans-67.6-63.5179.300000110.3D127 M131 R132 T133D127-G129 PolarHBondContact O-N 2.86Å; D127-G129 PolarHBondContact OD1-N 3.47Å; G129-M131 VanDerWaalsContact C-N 3.34Å; G129-M131 PolarHBondContact O-N 3.21Å; G129-R132 PolarHBondContact O-N 2.76Å; G129-R132 VanDerWaalsContact O-N 3.09Å; G129-T133 PolarHBondContact O-N 2.83Å; G129-T133 PolarHBondContact O-OG1 3.45Å
130G96.4Very high95.5Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-64.4-37.2-177.900000113.2E84 D127 R132 T133 F134E84-G130 WeakPolarHBondContact OE2-CA 3.48Å; D127-G130 PolarHBondContact OD1-N 2.95Å; D127-G130 VanDerWaalsContact OD1-N 3.07Å; D127-G130 VanDerWaalsContact OD2-CA 3.27Å; D127-G130 WeakPolarHBondContact OD2-CA 3.24Å; D127-G130 PolarHBondContact OD2-N 2.82Å; G130-R132 VanDerWaalsContact C-N 3.32Å; G130-R132 PolarHBondContact O-N 3.34Å; G130-T133 WeakPolarHBondContact O-CB 3.38Å; G130-T133 PolarHBondContact O-N 3.45Å; G130-F134 WeakPolarHBondContact O-CB 3.31Å; G130-F134 PolarHBondContact O-N 2.99Å
131M96.1Very high95.7Very high2 Ų246 Ų461%0.0124%0.239CC..Hα-helixtrans-61.4-37.9173.6-79.5-115.271.200112.9W89 P90 T116 C122 S125 D127 G129 F134 Y135W89-M131 HydrophobicContact CD2-CE 4.49Å; W89-M131 HydrophobicContact CD2-CG 4.24Å; W89-M131 HydrophobicContact CE3-CE 4.41Å; W89-M131 HydrophobicContact CG-CG 4.12Å; P90-M131 HydrophobicContact CG-SD 4.35Å; T116-M131 WeakPolarHBondContact OG1-CE 3.31Å; C122-M131 HydrophobicContact CB-CB 3.86Å; S125-M131 WeakPolarHBondContact OG-CG 3.39Å; D127-M131 VanDerWaalsContact O-CB 3.3Å; D127-M131 WeakPolarHBondContact O-CB 3.39Å; D127-M131 WeakPolarHBondContact O-CG 3.28Å; D127-M131 PolarHBondContact O-N 2.91Å; D127-M131 VanDerWaalsContact O-N 3.11Å; G129-M131 VanDerWaalsContact C-N 3.34Å; G129-M131 PolarHBondContact O-N 3.21Å; M131-F134 HydrophobicContact CE-CD1 4.23Å; M131-Y135 WeakPolarHBondContact O-CB 3.42Å; M131-Y135 PolarHBondContact O-N 3.33Å
132R96.5Very high95.8Very high106 Ų10646.6 Ų46.640%0.424%0.237SC..Hα-helixtrans-69.8-42.9174.9-76.7177.3-163.6158.61.6111.3L119 C122 D123 P128 G129 G130 F134 Y135 Y136L119-R132 HydrophobicContact CD2-CG 4.29Å; C122-R132 HydrophobicContact CB-CG 3.91Å; D123-R132 IonicContact OD1-CZ 3.75Å; D123-R132 IonicContact OD1-NE 3.9Å; D123-R132 PolarHBondContact OD1-NE 3.23Å; D123-R132 IonicContact OD1-NH2 3.8Å; D123-R132 PolarHBondContact OD1-NH2 2.99Å; D123-R132 IonicContact OD2-NH2 3.09Å; P128-R132 WeakPolarHBondContact O-CB 3.13Å; P128-R132 WeakPolarHBondContact O-CG 3.4Å; P128-R132 PolarHBondContact O-N 2.96Å; G129-R132 PolarHBondContact O-N 2.76Å; G129-R132 VanDerWaalsContact O-N 3.09Å; G130-R132 VanDerWaalsContact C-N 3.32Å; G130-R132 PolarHBondContact O-N 3.34Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.75Å; R132-Y135 PolarHBondContact O-N 3.45Å; R132-Y136 HydrophobicContact CB-CD2 4.35Å; R132-Y136 HydrophobicContact CB-CE2 4.11Å; R132-Y136 WeakPolarHBondContact O-CD2 3.21Å; R132-Y136 PolarHBondContact O-N 2.8Å
133T97.1Very high95.9Very high32 Ų3249.9 Ų49.920%0.19626%0.26CS..Hα-helixtrans-53.7-52.7174.9-60.40000110.7S79 I81 E84 G129 G130 Y135 Y136 L137S79-T133 WeakPolarHBondContact O-CG2 3.38Å; I81-T133 HydrophobicContact CD1-CG2 4.06Å; E84-T133 HydrophobicContact CG-CG2 3.95Å; E84-T133 WeakPolarHBondContact OE1-CB 3.16Å; E84-T133 PolarHBondContact OE1-OG1 2.75Å; G129-T133 PolarHBondContact O-N 2.83Å; G129-T133 PolarHBondContact O-OG1 3.45Å; G130-T133 WeakPolarHBondContact O-CB 3.38Å; G130-T133 PolarHBondContact O-N 3.45Å; T133-Y135 PolarHBondContact O-N 2.99Å; T133-Y136 PolarHBondContact O-N 2.87Å; T133-L137 WeakPolarHBondContact O-CB 3.5Å; T133-L137 PolarHBondContact O-N 2.85Å
134F97.2Very high95.8Very high1 Ų148.9 Ų48.90%0.00425%0.254CS..Hα-helixtrans-57.2-50175.1176.7-97000112.5I81 W89 Q98 L100 F111 G130 M131 R132 Y136 L137 V138I81-F134 HydrophobicContact CD1-CB 4.19Å; I81-F134 HydrophobicContact CD1-CD2 4.43Å; W89-F134 HydrophobicContact CH2-CB 3.63Å; W89-F134 AromaticContact CH2-CD2 3.91Å; W89-F134 HydrophobicContact CH2-CD2 3.91Å; W89-F134 AromaticContact CH2-CG 3.93Å; W89-F134 HydrophobicContact CH2-CG 3.93Å; W89-F134 HydrophobicContact CZ2-CB 4.36Å; W89-F134 HydrophobicContact CZ3-CB 4Å; W89-F134 HydrophobicContact CZ3-CD1 4.43Å; W89-F134 AromaticContact CZ3-CD2 3.67Å; W89-F134 HydrophobicContact CZ3-CD2 3.67Å; W89-F134 HydrophobicContact CZ3-CE2 4.2Å; W89-F134 AromaticContact CZ3-CG 3.79Å; W89-F134 HydrophobicContact CZ3-CG 3.79Å; Q98-F134 HydrophobicContact CB-CE1 4.4Å; Q98-F134 HydrophobicContact CB-CZ 4.16Å; L100-F134 HydrophobicContact CB-CD2 4.49Å; L100-F134 HydrophobicContact CB-CE2 3.59Å; L100-F134 HydrophobicContact CB-CZ 4.36Å; L100-F134 HydrophobicContact CD2-CD2 3.87Å; L100-F134 HydrophobicContact CD2-CE2 3.72Å; L100-F134 HydrophobicContact CG-CE2 4.32Å; F111-F134 HydrophobicContact CB-CE2 4.49Å; F111-F134 HydrophobicContact CD2-CD2 4.19Å; G130-F134 WeakPolarHBondContact O-CB 3.31Å; G130-F134 PolarHBondContact O-N 2.99Å; M131-F134 HydrophobicContact CE-CD1 4.23Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.75Å; F134-Y136 PolarHBondContact O-N 3.35Å; F134-L137 PolarHBondContact O-N 3.12Å; F134-V138 HydrophobicContact CD1-CG2 4.28Å; F134-V138 HydrophobicContact CD2-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.96Å; F134-V138 HydrophobicContact CE2-CG2 4.05Å; F134-V138 HydrophobicContact CG-CG2 4.47Å; F134-V138 HydrophobicContact CZ-CG2 3.84Å; F134-V138 WeakPolarHBondContact O-CB 3.3Å; F134-V138 VanDerWaalsContact O-CG2 3.3Å; F134-V138 WeakPolarHBondContact O-CG2 3.29Å; F134-V138 PolarHBondContact O-N 3.32Å
135Y96.6Very high95.8Very high38 Ų3843.3 Ų43.315%0.14922%0.224CC..Hα-helixtrans-59-47.5-178175.7-98.3000112.2T116 L119 M131 R132 T133 V138 Q139T116-Y135 HydrophobicContact CG2-CD2 3.82Å; T116-Y135 HydrophobicContact CG2-CE2 4.3Å; L119-Y135 HydrophobicContact CD2-CD1 3.6Å; L119-Y135 HydrophobicContact CD2-CE1 3.55Å; L119-Y135 HydrophobicContact CG-CD1 4.42Å; L119-Y135 HydrophobicContact CG-CE1 3.89Å; M131-Y135 WeakPolarHBondContact O-CB 3.42Å; M131-Y135 PolarHBondContact O-N 3.33Å; R132-Y135 PolarHBondContact O-N 3.45Å; T133-Y135 PolarHBondContact O-N 2.99Å; Y135-V138 PolarHBondContact O-N 2.88Å; Y135-Q139 HydrophobicContact CE1-CG 4.49Å; Y135-Q139 WeakPolarHBondContact O-CG 3.11Å; Y135-Q139 PolarHBondContact O-N 3.42Å; Y135-Q139 PolarHBondContact OH-NE2 3.17Å
136Y96.9Very high95.6Very high107 Ų10744.8 Ų44.842%0.4223%0.229SC..Hα-helixtrans-65.8-45.9178.9-69.8-53.2000111.8L119 R132 T133 F134 V138 Q139 D140L119-Y136 HydrophobicContact CD2-CE1 4.13Å; L119-Y136 HydrophobicContact CD2-CE2 4.4Å; R132-Y136 HydrophobicContact CB-CD2 4.35Å; R132-Y136 HydrophobicContact CB-CE2 4.11Å; R132-Y136 WeakPolarHBondContact O-CD2 3.21Å; R132-Y136 PolarHBondContact O-N 2.8Å; T133-Y136 PolarHBondContact O-N 2.87Å; F134-Y136 PolarHBondContact O-N 3.35Å; Y136-V138 VanDerWaalsContact C-N 3.32Å; Y136-V138 PolarHBondContact O-N 3.43Å; Y136-Q139 WeakPolarHBondContact O-CB 3.25Å; Y136-Q139 PolarHBondContact O-N 2.83Å; Y136-Q139 VanDerWaalsContact O-N 3.09Å; Y136-D140 PolarHBondContact O-N 3.11Å
137L97.5Very high95.4Very high2 Ų240.7 Ų40.71%0.0121%0.212CC..Hα-helixtrans-56.8-47.5176.8175.863000111.3R75 V76 I81 L100 I102 T133 F134 Q139 D140 L141R75-L137 HydrophobicContact CG-CD1 4.07Å; V76-L137 HydrophobicContact CG2-CD1 4.36Å; I81-L137 HydrophobicContact CB-CD2 3.77Å; I81-L137 HydrophobicContact CD1-CD2 4.25Å; I81-L137 HydrophobicContact CG1-CD2 3.66Å; I81-L137 HydrophobicContact CG2-CD2 3.8Å; L100-L137 HydrophobicContact CD2-CD2 4.09Å; I102-L137 HydrophobicContact CD1-CD2 4.27Å; T133-L137 WeakPolarHBondContact O-CB 3.5Å; T133-L137 PolarHBondContact O-N 2.85Å; F134-L137 PolarHBondContact O-N 3.12Å; L137-Q139 VanDerWaalsContact C-N 3.29Å; L137-Q139 PolarHBondContact O-N 3.2Å; L137-D140 PolarHBondContact O-N 3.23Å; L137-L141 HydrophobicContact CD1-CD1 4.02Å; L137-L141 HydrophobicContact CD1-CD2 4.45Å; L137-L141 HydrophobicContact CD1-CG 4Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 3.84Å; L137-L141 HydrophobicContact CG-CG 4.27Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 2.96Å
138V96.7Very high95.1Very high6 Ų641 Ų414%0.03621%0.213CC..Hα-helixtrans-59.2-40.8177.9165.80000111.3Y8 F134 Y135 Y136 R142Y8-V138 HydrophobicContact CD2-CG1 4.26Å; Y8-V138 HydrophobicContact CD2-CG2 3.92Å; Y8-V138 HydrophobicContact CE1-CG1 4.16Å; Y8-V138 HydrophobicContact CE2-CB 4.22Å; Y8-V138 HydrophobicContact CE2-CG1 3.48Å; Y8-V138 VanDerWaalsContact CE2-CG1 3.48Å; Y8-V138 HydrophobicContact CE2-CG2 3.6Å; Y8-V138 VanDerWaalsContact CZ-CG1 3.4Å; Y8-V138 WeakPolarHBondContact OH-CG1 3.43Å; F134-V138 HydrophobicContact CD1-CG2 4.28Å; F134-V138 HydrophobicContact CD2-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.96Å; F134-V138 HydrophobicContact CE2-CG2 4.05Å; F134-V138 HydrophobicContact CG-CG2 4.47Å; F134-V138 HydrophobicContact CZ-CG2 3.84Å; F134-V138 WeakPolarHBondContact O-CB 3.3Å; F134-V138 VanDerWaalsContact O-CG2 3.3Å; F134-V138 WeakPolarHBondContact O-CG2 3.29Å; F134-V138 PolarHBondContact O-N 3.32Å; Y135-V138 PolarHBondContact O-N 2.88Å; Y136-V138 VanDerWaalsContact C-N 3.32Å; Y136-V138 PolarHBondContact O-N 3.43Å; V138-R142 HydrophobicContact CG1-CG 4.38Å; V138-R142 WeakPolarHBondContact O-CB 3.35Å; V138-R142 VanDerWaalsContact O-CG 3.23Å; V138-R142 WeakPolarHBondContact O-CG 3.39Å; V138-R142 PolarHBondContact O-N 3.46Å
139Q95.7Very high94.5Very high88 Ų8839 Ų3941%0.41120%0.2SC..Hα-helixtrans-62.5-44.2176.4-73.7-162.94.800112.5Y135 Y136 L137 R142 S143Y135-Q139 HydrophobicContact CE1-CG 4.49Å; Y135-Q139 WeakPolarHBondContact O-CG 3.11Å; Y135-Q139 PolarHBondContact O-N 3.42Å; Y135-Q139 PolarHBondContact OH-NE2 3.17Å; Y136-Q139 WeakPolarHBondContact O-CB 3.25Å; Y136-Q139 PolarHBondContact O-N 2.83Å; Y136-Q139 VanDerWaalsContact O-N 3.09Å; L137-Q139 VanDerWaalsContact C-N 3.29Å; L137-Q139 PolarHBondContact O-N 3.2Å; Q139-R142 PolarHBondContact O-N 3.03Å; Q139-S143 WeakPolarHBondContact O-CB 3.25Å; Q139-S143 PolarHBondContact O-N 3.22Å
140D96.9Very high93.9Very high49 Ų4938.1 Ų38.126%0.26219%0.191SC..Hα-helixtrans-65.4-44.5179.8-63.4-51.2000111.7R75 Y136 L137 R142 S143 I144R75-D140 HydrophobicContact CG-CB 3.81Å; R75-D140 IonicContact CZ-OD2 3.85Å; R75-D140 IonicContact NE-OD1 3.41Å; R75-D140 IonicContact NE-OD2 2.92Å; R75-D140 PolarHBondContact NE-OD2 3.27Å; R75-D140 IonicContact NH2-OD1 3.22Å; R75-D140 IonicContact NH2-OD2 2.65Å; R75-D140 PolarHBondContact NH2-OD2 3.48Å; Y136-D140 PolarHBondContact O-N 3.11Å; L137-D140 PolarHBondContact O-N 3.23Å; D140-R142 PolarHBondContact O-N 2.84Å; D140-S143 WeakPolarHBondContact O-CB 3.25Å; D140-S143 PolarHBondContact O-N 3.47Å; D140-I144 WeakPolarHBondContact O-CG1 3.2Å; D140-I144 PolarHBondContact O-N 2.97Å
141L96.7Very high93.2Very high2 Ų244.8 Ų44.81%0.0122%0.224CC..Hα-helixtrans-59.9-46.1176.4-67.6172.7000111.3L6 F23 I72 L100 L137 S143 I144 V145L6-L141 HydrophobicContact CD1-CD1 3.85Å; L6-L141 HydrophobicContact CD1-CD2 3.87Å; L6-L141 HydrophobicContact CD2-CD1 4.35Å; F23-L141 HydrophobicContact CE2-CB 4.15Å; F23-L141 HydrophobicContact CZ-CB 3.82Å; I72-L141 HydrophobicContact CG2-CD2 3.77Å; L100-L141 HydrophobicContact CD1-CD1 4.37Å; L137-L141 HydrophobicContact CD1-CD1 4.02Å; L137-L141 HydrophobicContact CD1-CD2 4.45Å; L137-L141 HydrophobicContact CD1-CG 4Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 3.84Å; L137-L141 HydrophobicContact CG-CG 4.27Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 2.96Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; L141-I144 PolarHBondContact O-N 3.01Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.44Å
142R94.1Very high92.3Very high77 Ų7750.4 Ų50.429%0.29125%0.25SS..Hα-helixtrans-60.6-43.2175.9-74.117983.8-179.94.7111.4Y8 M21 F23 V138 Q139 D140 I144 V145 F146Y8-R142 HydrophobicContact CE1-CG 4.3Å; M21-R142 PolarHBondContact SD-NH2 3.06Å; F23-R142 HydrophobicContact CE1-CG 3.92Å; F23-R142 HydrophobicContact CZ-CG 4.4Å; V138-R142 HydrophobicContact CG1-CG 4.38Å; V138-R142 WeakPolarHBondContact O-CB 3.35Å; V138-R142 VanDerWaalsContact O-CG 3.23Å; V138-R142 WeakPolarHBondContact O-CG 3.39Å; V138-R142 PolarHBondContact O-N 3.46Å; Q139-R142 PolarHBondContact O-N 3.03Å; D140-R142 PolarHBondContact O-N 2.84Å; R142-I144 PolarHBondContact O-N 3.22Å; R142-V145 PolarHBondContact O-N 2.65Å; R142-F146 HydrophobicContact CB-CD2 4.46Å; R142-F146 HydrophobicContact CB-CE2 4.12Å; R142-F146 HydrophobicContact CB-CZ 4.3Å; R142-F146 VanDerWaalsContact O-CB 3.25Å; R142-F146 WeakPolarHBondContact O-CB 3.21Å; R142-F146 WeakPolarHBondContact O-CD2 3.02Å; R142-F146 WeakPolarHBondContact O-CG 3.25Å; R142-F146 PolarHBondContact O-N 2.79Å
143S94.6Very high91Very high69 Ų6946 Ų4648%0.48323%0.234SC..Hα-helixtrans-58.8-45.5178-174.60000111.9Q139 D140 L141 S147Q139-S143 WeakPolarHBondContact O-CB 3.25Å; Q139-S143 PolarHBondContact O-N 3.22Å; D140-S143 WeakPolarHBondContact O-CB 3.25Å; D140-S143 PolarHBondContact O-N 3.47Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.26Å; S143-S147 PolarHBondContact O-N 2.92Å; S143-S147 PolarHBondContact O-OG 3.34Å
144I93.6Very high89.7Confident48 Ų4853.2 Ų53.225%0.24626%0.262CS..Hα-helixtrans-60.9-53.2176.1-66.6166.2000110.4I72 D140 L141 R142 F146 S147 L148I72-I144 HydrophobicContact CD1-CG2 4.38Å; I72-I144 HydrophobicContact CG1-CD1 4.3Å; I72-I144 HydrophobicContact CG1-CG2 4.2Å; D140-I144 WeakPolarHBondContact O-CG1 3.2Å; D140-I144 PolarHBondContact O-N 2.97Å; L141-I144 PolarHBondContact O-N 3.01Å; R142-I144 PolarHBondContact O-N 3.22Å; I144-F146 PolarHBondContact O-N 3.48Å; I144-S147 PolarHBondContact O-N 2.94Å; I144-L148 HydrophobicContact CG2-CD1 3.9Å; I144-L148 HydrophobicContact CG2-CG 4.47Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.4Å; I144-L148 PolarHBondContact O-N 3.16Å
145V91.5Very high88.2Confident3 Ų353.8 Ų53.82%0.01827%0.265CS..Hα-helixtrans-62.6-44.2-176.4171.20000111.5F23 L31 Y33 L141 R142 S147 L148 I149F23-V145 HydrophobicContact CB-CG1 4.13Å; F23-V145 HydrophobicContact CD1-CB 4.45Å; F23-V145 HydrophobicContact CD1-CG1 4.17Å; F23-V145 HydrophobicContact CD1-CG2 4.3Å; F23-V145 HydrophobicContact CD2-CG2 3.78Å; F23-V145 HydrophobicContact CE1-CG2 4.46Å; F23-V145 HydrophobicContact CE2-CG2 3.96Å; F23-V145 HydrophobicContact CG-CB 4.48Å; F23-V145 HydrophobicContact CG-CG1 4.13Å; F23-V145 HydrophobicContact CG-CG2 3.95Å; F23-V145 HydrophobicContact CZ-CG2 4.31Å; L31-V145 HydrophobicContact CD1-CG2 4.38Å; Y33-V145 HydrophobicContact CD2-CG1 3.82Å; Y33-V145 HydrophobicContact CE2-CG1 4.33Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.44Å; R142-V145 PolarHBondContact O-N 2.65Å; V145-S147 VanDerWaalsContact C-N 3.34Å; V145-S147 PolarHBondContact O-N 2.94Å; V145-L148 PolarHBondContact O-N 3.48Å; V145-I149 HydrophobicContact CG1-CD1 3.56Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.46Å; V145-I149 PolarHBondContact O-N 3.22Å
146F90.2Very high86.8Confident47 Ų4760.5 Ų60.521%0.20630%0.295CS..Hα-helixtrans-64.1-39.1176.7-68.6-12.3000112.6M21 Y33 R142 I144 G150 P157M21-F146 HydrophobicContact CE-CE1 3.58Å; M21-F146 HydrophobicContact CE-CZ 3.38Å; M21-F146 HydrophobicContact SD-CE1 3.51Å; M21-F146 VanDerWaalsContact SD-CE1 3.51Å; M21-F146 HydrophobicContact SD-CZ 3.39Å; M21-F146 WeakPolarHBondContact SD-CZ 3.38Å; Y33-F146 HydrophobicContact CE2-CD1 4.4Å; Y33-F146 HydrophobicContact CE2-CE1 4.05Å; R142-F146 HydrophobicContact CB-CD2 4.46Å; R142-F146 HydrophobicContact CB-CE2 4.12Å; R142-F146 HydrophobicContact CB-CZ 4.3Å; R142-F146 VanDerWaalsContact O-CB 3.25Å; R142-F146 WeakPolarHBondContact O-CB 3.21Å; R142-F146 WeakPolarHBondContact O-CD2 3.02Å; R142-F146 WeakPolarHBondContact O-CG 3.25Å; R142-F146 PolarHBondContact O-N 2.79Å; I144-F146 PolarHBondContact O-N 3.48Å; F146-G150 WeakPolarHBondContact O-CA 3.24Å; F146-G150 PolarHBondContact O-N 3.4Å; F146-P157 HydrophobicContact CB-CB 4.28Å; F146-P157 HydrophobicContact CB-CG 3.63Å; F146-P157 HydrophobicContact CD1-CB 3.72Å; F146-P157 HydrophobicContact CD1-CG 4.06Å; F146-P157 HydrophobicContact CE1-CB 4.24Å; F146-P157 HydrophobicContact CG-CB 4.03Å; F146-P157 HydrophobicContact CG-CG 3.86Å
147S91.5Very high85Confident58 Ų5857.1 Ų57.141%0.40629%0.287SS..Hα-helixtrans-63.5-44.2175.5-620000111S143 I144 V145 G150 M151S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.26Å; S143-S147 PolarHBondContact O-N 2.92Å; S143-S147 PolarHBondContact O-OG 3.34Å; I144-S147 PolarHBondContact O-N 2.94Å; V145-S147 VanDerWaalsContact C-N 3.34Å; V145-S147 PolarHBondContact O-N 2.94Å; S147-G150 PolarHBondContact O-N 3.4Å; S147-M151 WeakPolarHBondContact O-CB 3.16Å; S147-M151 WeakPolarHBondContact O-CE 3.33Å; S147-M151 VanDerWaalsContact O-CG 3.27Å; S147-M151 WeakPolarHBondContact O-CG 3.42Å; S147-M151 PolarHBondContact O-N 2.87Å
148L88.5Confident83.2Confident43 Ų4363 Ų6323%0.22532%0.316CS..Hα-helixtrans-61-51.1177.3-69.7168.7000111.7L31 L64 V68 I144 V145 H152L31-L148 HydrophobicContact CD2-CD1 4.03Å; L64-L148 HydrophobicContact CD2-CD1 3.97Å; V68-L148 HydrophobicContact CG1-CD1 3.84Å; V68-L148 HydrophobicContact CG1-CD2 4.35Å; I144-L148 HydrophobicContact CG2-CD1 3.9Å; I144-L148 HydrophobicContact CG2-CG 4.47Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.4Å; I144-L148 PolarHBondContact O-N 3.16Å; V145-L148 PolarHBondContact O-N 3.48Å; L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 3.25Å
149I83.9Confident82.5Confident1 Ų165.8 Ų65.81%0.00533%0.33CS..Hα-helixtrans-64.4-44.8180-65.3165.4000110.5Y33 F60 V145 H152 F153Y33-I149 HydrophobicContact CD1-CD1 3.51Å; Y33-I149 HydrophobicContact CD2-CD1 3.29Å; Y33-I149 HydrophobicContact CE1-CD1 3.84Å; Y33-I149 HydrophobicContact CE2-CD1 3.66Å; Y33-I149 HydrophobicContact CG-CD1 3.2Å; Y33-I149 HydrophobicContact CG-CG1 4.46Å; F60-I149 HydrophobicContact CD1-CG1 4.38Å; V145-I149 HydrophobicContact CG1-CD1 3.56Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.46Å; V145-I149 PolarHBondContact O-N 3.22Å; I149-H152 PolarHBondContact O-N 2.87Å; I149-F153 HydrophobicContact CG2-CD2 4.06Å; I149-F153 WeakPolarHBondContact O-CB 3.32Å; I149-F153 WeakPolarHBondContact O-CD2 3.17Å; I149-F153 PolarHBondContact O-N 3.22Å
150G83.3Confident81.9Confident22 Ų2264.6 Ų64.623%0.22733%0.326CS..Hα-helixtrans-61.8-46.9-178.400000112.4F146 S147 K154 I155F146-G150 WeakPolarHBondContact O-CA 3.24Å; F146-G150 PolarHBondContact O-N 3.4Å; S147-G150 PolarHBondContact O-N 3.4Å; G150-K154 WeakPolarHBondContact O-CA 3.2Å; G150-K154 PolarHBondContact O-N 3.24Å; G150-I155 WeakPolarHBondContact CA-O 3.48Å
151M82.9Confident81Confident140 Ų14065.5 Ų65.569%0.6933%0.33SS*.Hα-helixtrans-69.5-44.3177.9-70.8-172.5-68.900112.3S147S147-M151 WeakPolarHBondContact O-CB 3.16Å; S147-M151 WeakPolarHBondContact O-CE 3.33Å; S147-M151 VanDerWaalsContact O-CG 3.27Å; S147-M151 WeakPolarHBondContact O-CG 3.42Å; S147-M151 PolarHBondContact O-N 2.87Å
152H77.2Confident80.1Confident120 Ų12069.2 Ų69.256%0.55635%0.348SS*.Hα-helixtrans-69.1-41.7-174.7-167.686.6000112L148 I149L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 3.25Å; I149-H152 PolarHBondContact O-N 2.87Å
153F68.5Low79.2Confident14 Ų1468.8 Ų68.86%0.06135%0.352CS..Hα-helixtrans-100.6-13.2-174.8-64.5-73.2000114.5T49 T51 F60 I149 I155T49-F153 WeakPolarHBondContact O-CE1 3.18Å; T51-F153 WeakPolarHBondContact OG1-CE1 3.44Å; T51-F153 VanDerWaalsContact OG1-CZ 3.25Å; T51-F153 WeakPolarHBondContact OG1-CZ 3.5Å; F60-F153 HydrophobicContact CB-CE2 4.49Å; F60-F153 HydrophobicContact CD2-CD2 4.48Å; F60-F153 HydrophobicContact CD2-CE1 4.43Å; F60-F153 AromaticContact CD2-CE2 3.18Å; F60-F153 HydrophobicContact CD2-CE2 3.18Å; F60-F153 AromaticContact CD2-CZ 3.15Å; F60-F153 HydrophobicContact CD2-CZ 3.15Å; F60-F153 AromaticContact CE2-CE2 3.32Å; F60-F153 HydrophobicContact CE2-CE2 3.32Å; F60-F153 AromaticContact CE2-CZ 3.29Å; F60-F153 HydrophobicContact CE2-CZ 3.29Å; F60-F153 AromaticContact CG-CE2 3.86Å; F60-F153 HydrophobicContact CG-CE2 3.86Å; F60-F153 HydrophobicContact CG-CZ 4.2Å; F60-F153 HydrophobicContact CZ-CE2 4.1Å; F60-F153 HydrophobicContact CZ-CZ 4.41Å; I149-F153 HydrophobicContact CG2-CD2 4.06Å; I149-F153 WeakPolarHBondContact O-CB 3.32Å; I149-F153 WeakPolarHBondContact O-CD2 3.17Å; I149-F153 PolarHBondContact O-N 3.22Å; F153-I155 HydrophobicContact CB-CB 4.17Å; F153-I155 HydrophobicContact CB-CD1 3.66Å; F153-I155 HydrophobicContact CB-CG1 3.64Å; F153-I155 HydrophobicContact CG-CD1 4.42Å; F153-I155 PolarHBondContact O-N 3.19Å
154K70.5Confident78.2Confident182 Ų18268.7 Ų68.779%0.79134%0.343SS*.  trans55.439.6-169.1-52.9-176.8178.9-176.40111.3G150G150-K154 WeakPolarHBondContact O-CA 3.2Å; G150-K154 PolarHBondContact O-N 3.24Å
155I65.9Low77.1Confident13 Ų1370.2 Ų70.27%0.06735%0.35CS..  trans-114.1142.2178-58.8179.2000107.2I45 G150 F153 P157I45-I155 HydrophobicContact CB-CD1 4.43Å; I45-I155 HydrophobicContact CD1-CG2 3.87Å; I45-I155 HydrophobicContact CG2-CD1 3.5Å; I45-I155 VanDerWaalsContact CG2-CD1 3.5Å; I45-I155 HydrophobicContact CG2-CG1 3.65Å; I45-I155 HydrophobicContact CG2-CG2 4.2Å; G150-I155 WeakPolarHBondContact CA-O 3.48Å; F153-I155 HydrophobicContact CB-CB 4.17Å; F153-I155 HydrophobicContact CB-CD1 3.66Å; F153-I155 HydrophobicContact CB-CG1 3.64Å; F153-I155 HydrophobicContact CG-CD1 4.42Å; F153-I155 PolarHBondContact O-N 3.19Å; I155-P157 WeakPolarHBondContact O-CD 3.27Å
156K66.1Low76Confident180 Ų18075.4 Ų75.478%0.78338%0.376SS*.  trans-76114.8167.8-73.6-172.9177.6-175.90108.2I158K156-I158 PolarHBondContact O-N 2.8Å
157P59.8Low74.8Confident36 Ų3677.8 Ų77.823%0.23439%0.39CS..  trans-64.3120165.125.9-29000107.3F146 I155F146-P157 HydrophobicContact CB-CB 4.28Å; F146-P157 HydrophobicContact CB-CG 3.63Å; F146-P157 HydrophobicContact CD1-CB 3.72Å; F146-P157 HydrophobicContact CD1-CG 4.06Å; F146-P157 HydrophobicContact CE1-CB 4.24Å; F146-P157 HydrophobicContact CG-CB 4.03Å; F146-P157 HydrophobicContact CG-CG 3.86Å; I155-P157 WeakPolarHBondContact O-CD 3.27Å
158I59.7Low73.3Confident124 Ų12479.5 Ų79.564%0.63639%0.389SS*.  trans-94.20-179.6-53.7177.3000108.9M21 N35 K156M21-I158 WeakPolarHBondContact CE-O 3.06Å; N35-I158 PolarHBondContact ND2-O 3.21Å; K156-I158 PolarHBondContact O-N 2.8Å

Retrieved 158 of 158 residues in 414.8 ms (Link to these results)

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