A0A087YH46_POEFO Loading...

AP complex subunit sigma

Subunit of clathrin-associated adaptor protein complex 1 that plays a role in protein sorting in the late-Golgi/trans-Golgi network (TGN) and/or endosomes. The AP complexes mediate both the recruitment of clathrin to membranes and the recognition of sorting signals within the cytosolic tails of transmembrane cargo molecules.

AlphaFold DB (A0A1A8V3Q3), UniProt , Accession A0A087YH46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.6Very high97.3Very high59 Ų5936.8 Ų36.829%0.29116%0.16SC..  0139.70-178.9-170.362.900112.8Q3 V21 E72 D75 E122M1-Q3 PolarHBondContact O-N 3.44Å; M1-V21 HydrophobicContact CE-CG1 4.11Å; M1-E72 PolarHBondContact N-OE2 2.86Å; M1-D75 WeakPolarHBondContact CA-OD2 3.46Å; M1-D75 PolarHBondContact N-OD1 2.94Å; M1-D75 PolarHBondContact N-OD2 3.08Å; M1-E122 WeakPolarHBondContact CA-OE1 3.37Å; M1-E122 WeakPolarHBondContact CB-OE1 3.36Å
2M97.3Very high97.3Very high8 Ų835.8 Ų35.84%0.03917%0.168CC..  trans-70.8126.3173.2-170.5-175.3-58.300112M5 Y20 C69 A70 V71 T80 I83 L118 G121M2-M5 HydrophobicContact SD-CB 4.1Å; M2-Y20 HydrophobicContact CB-CD2 4.44Å; M2-Y20 HydrophobicContact CG-CD2 4.26Å; M2-Y20 HydrophobicContact CG-CE2 4.26Å; M2-Y20 WeakPolarHBondContact O-CB 3.37Å; M2-Y20 WeakPolarHBondContact O-CD2 3.27Å; M2-Y20 HydrophobicContact SD-CD2 4.38Å; M2-Y20 HydrophobicContact SD-CE2 3.79Å; M2-C69 HydrophobicContact CE-CB 3.98Å; M2-C69 HydrophobicContact CG-CB 4.3Å; M2-C69 HydrophobicContact SD-CB 3.97Å; M2-A70 CarbonylContact C-O 3.58Å; M2-A70 WeakPolarHBondContact CA-O 3.48Å; M2-A70 WeakPolarHBondContact CG-O 3.47Å; M2-V71 HydrophobicContact CB-CG1 4.21Å; M2-V71 HydrophobicContact CG-CG1 4.2Å; M2-T80 HydrophobicContact CE-CG2 4.27Å; M2-I83 HydrophobicContact CE-CG2 4.1Å; M2-L118 HydrophobicContact CE-CD1 4.16Å; M2-L118 HydrophobicContact SD-CD1 4.34Å; M2-G121 WeakPolarHBondContact CB-O 3.26Å; M2-G121 PolarHBondContact N-O 3.35Å; M2-G121 WeakPolarHBondContact O-CA 3.48Å
3Q97.8Very high97.4Very high31 Ų3142.9 Ų42.915%0.14520%0.198CC..  trans-83.2-42-178.6-65.6-74-28.900111.9M1 Y20 V21 L55 A70 E72M1-Q3 PolarHBondContact O-N 3.44Å; Q3-Y20 PolarHBondContact O-N 3.44Å; Q3-V21 HydrophobicContact CB-CG2 4.46Å; Q3-L55 HydrophobicContact CB-CD1 4.42Å; Q3-L55 HydrophobicContact CG-CD1 4.06Å; Q3-L55 HydrophobicContact CG-CD2 3.88Å; Q3-A70 HydrophobicContact CB-CB 4.3Å; Q3-A70 PolarHBondContact N-O 3.45Å; Q3-E72 PolarHBondContact NE2-OE1 2.95Å
4F98.4Very high97.4Very high4 Ų444.8 Ų44.82%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-162.7161176.956.5-97.6000112.3L6 K18 W19 I31 L35 C69 A70F4-L6 HydrophobicContact CD2-CD1 4.23Å; F4-L6 HydrophobicContact CD2-CD2 4.32Å; F4-L6 HydrophobicContact CD2-CG 3.86Å; F4-L6 HydrophobicContact CE2-CD1 4.03Å; F4-L6 HydrophobicContact CE2-CG 4.15Å; F4-K18 CarbonylContact C-O 3.53Å; F4-K18 WeakPolarHBondContact CA-O 3.16Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; F4-W19 HydrophobicContact CB-CD2 4.01Å; F4-W19 HydrophobicContact CB-CE3 3.49Å; F4-W19 VanDerWaalsContact CB-CE3 3.49Å; F4-W19 HydrophobicContact CB-CZ3 3.87Å; F4-W19 AromaticContact CD1-CE3 3.68Å; F4-W19 HydrophobicContact CD1-CE3 3.68Å; F4-W19 HydrophobicContact CD1-CH2 4.25Å; F4-W19 AromaticContact CD1-CZ3 3.31Å; F4-W19 HydrophobicContact CD1-CZ3 3.31Å; F4-W19 HydrophobicContact CD2-CZ3 4.23Å; F4-W19 AromaticContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CE1-CZ3 3.81Å; F4-W19 AromaticContact CG-CE3 3.72Å; F4-W19 HydrophobicContact CG-CE3 3.72Å; F4-W19 HydrophobicContact CG-CH2 4.23Å; F4-W19 AromaticContact CG-CZ3 3.54Å; F4-W19 HydrophobicContact CG-CZ3 3.54Å; F4-W19 HydrophobicContact CZ-CZ3 4.44Å; F4-I31 HydrophobicContact CE1-CG2 4.01Å; F4-I31 HydrophobicContact CE2-CG2 4.42Å; F4-I31 HydrophobicContact CZ-CG2 3.7Å; F4-L35 HydrophobicContact CE2-CD1 3.68Å; F4-L35 HydrophobicContact CZ-CD1 3.47Å; F4-L35 VanDerWaalsContact CZ-CD1 3.47Å; F4-C69 WeakPolarHBondContact O-CA 3.28Å; F4-A70 HydrophobicContact CD1-CB 3.9Å; F4-A70 HydrophobicContact CD2-CB 4.05Å; F4-A70 HydrophobicContact CE1-CB 3.41Å; F4-A70 VanDerWaalsContact CE1-CB 3.41Å; F4-A70 HydrophobicContact CE2-CB 3.59Å; F4-A70 HydrophobicContact CG-CB 4.2Å; F4-A70 HydrophobicContact CZ-CB 3.24Å; F4-A70 PolarHBondContact O-N 2.88Å
5M98.6Very high97.5Very high0 Ų045.7 Ų45.70%021%0.211CC..EExtended strand (participates in β ladder)trans-126.6130171.3-176.1171.3-17000110.4M2 L7 Q17 K18 F67 C68 I84 Y87 L114 L118M2-M5 HydrophobicContact SD-CB 4.1Å; M5-L7 HydrophobicContact CE-CD1 3.92Å; M5-L7 HydrophobicContact CG-CD1 4.08Å; M5-Q17 WeakPolarHBondContact O-CA 3.47Å; M5-K18 PolarHBondContact N-O 3.29Å; M5-K18 PolarHBondContact O-N 3.15Å; M5-F67 HydrophobicContact CE-CD1 3.79Å; M5-C68 CarbonylContact C-O 3.58Å; M5-C68 WeakPolarHBondContact CA-O 3.25Å; M5-I84 HydrophobicContact CE-CG1 4.47Å; M5-Y87 HydrophobicContact CE-CD1 3.48Å; M5-Y87 VanDerWaalsContact CE-CD1 3.48Å; M5-Y87 HydrophobicContact CE-CE1 4.03Å; M5-Y87 HydrophobicContact CE-CG 4.3Å; M5-Y87 HydrophobicContact SD-CD1 4.41Å; M5-L114 HydrophobicContact SD-CD1 3.78Å; M5-L114 HydrophobicContact SD-CD2 4.31Å; M5-L118 HydrophobicContact SD-CD1 4.47Å
6L98.6Very high97.5Very high0 Ų043.1 Ų43.10%020%0.198CC..EExtended strand (participates in β ladder)trans-120.3136.3177.6-54.7179.3000110.1F4 F8 L14 Q17 W19 C68F4-L6 HydrophobicContact CD2-CD1 4.23Å; F4-L6 HydrophobicContact CD2-CD2 4.32Å; F4-L6 HydrophobicContact CD2-CG 3.86Å; F4-L6 HydrophobicContact CE2-CD1 4.03Å; F4-L6 HydrophobicContact CE2-CG 4.15Å; L6-F8 HydrophobicContact CB-CD1 4.31Å; L6-L14 HydrophobicContact CB-CD2 4.33Å; L6-L14 HydrophobicContact CD2-CD2 4.37Å; L6-Q17 HydrophobicContact CD2-CB 3.64Å; L6-W19 HydrophobicContact CD2-CZ2 4.13Å; L6-C68 HydrophobicContact CB-CB 4.34Å; L6-C68 PolarHBondContact N-O 2.81Å; L6-C68 PolarHBondContact O-N 3.47Å
7L98.4Very high97.6Very high0 Ų045.2 Ų45.20%021%0.209CC..EExtended strand (participates in β ladder)trans-115130.8164.7-76.159.2000108.9M5 L14 R15 L16 Y66 F67 Y87 I103M5-L7 HydrophobicContact CE-CD1 3.92Å; M5-L7 HydrophobicContact CG-CD1 4.08Å; L7-L14 WeakPolarHBondContact O-CA 3.34Å; L7-R15 HydrophobicContact CB-CB 4.28Å; L7-R15 PolarHBondContact O-N 3.26Å; L7-L16 HydrophobicContact CB-CB 3.96Å; L7-L16 HydrophobicContact CD1-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.28Å; L7-L16 HydrophobicContact CD2-CB 4.08Å; L7-L16 HydrophobicContact CD2-CD1 4.33Å; L7-L16 HydrophobicContact CG-CB 4.3Å; L7-L16 PolarHBondContact N-O 3.32Å; L7-L16 PolarHBondContact O-N 3.1Å; L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.34Å; L7-F67 HydrophobicContact CD1-CD1 3.73Å; L7-F67 HydrophobicContact CD1-CE1 4.02Å; L7-F67 HydrophobicContact CD1-CG 4.49Å; L7-F67 HydrophobicContact CD2-CD1 4.04Å; L7-F67 HydrophobicContact CD2-CE1 3.47Å; L7-F67 VanDerWaalsContact CD2-CE1 3.47Å; L7-F67 HydrophobicContact CD2-CZ 3.86Å; L7-F67 HydrophobicContact CG-CD1 3.63Å; L7-F67 HydrophobicContact CG-CE1 3.61Å; L7-F67 HydrophobicContact CG-CG 4.19Å; L7-F67 HydrophobicContact CG-CZ 4.13Å; L7-Y87 HydrophobicContact CD1-CE1 4.38Å; L7-Y87 HydrophobicContact CD2-CE1 4.19Å; L7-I103 HydrophobicContact CD2-CD1 4.34Å
8F98.7Very high97.6Very high0 Ų045.3 Ų45.30%021%0.208CC..EExtended strand (participates in β ladder)trans-146.5152177.154.3-86.3000112.6L6 K13 L14 V36 I39 L40 Y66 C68L6-F8 HydrophobicContact CB-CD1 4.31Å; F8-K13 CarbonylContact C-O 3.56Å; F8-K13 WeakPolarHBondContact CA-O 3.21Å; F8-K13 WeakPolarHBondContact CB-O 3.3Å; F8-L14 HydrophobicContact CB-CD2 4.24Å; F8-V36 HydrophobicContact CB-CG2 4.23Å; F8-V36 HydrophobicContact CD1-CG2 3.69Å; F8-V36 HydrophobicContact CD2-CB 4.43Å; F8-V36 HydrophobicContact CD2-CG1 3.9Å; F8-V36 HydrophobicContact CD2-CG2 4Å; F8-V36 HydrophobicContact CE1-CG2 3.94Å; F8-V36 HydrophobicContact CE2-CB 4.44Å; F8-V36 HydrophobicContact CE2-CG1 4.15Å; F8-V36 HydrophobicContact CE2-CG2 4.23Å; F8-V36 HydrophobicContact CG-CG1 4.35Å; F8-V36 HydrophobicContact CG-CG2 3.71Å; F8-V36 HydrophobicContact CZ-CG2 4.21Å; F8-I39 HydrophobicContact CE1-CD1 4.32Å; F8-I39 HydrophobicContact CE2-CG2 4.28Å; F8-I39 HydrophobicContact CZ-CB 3.99Å; F8-I39 HydrophobicContact CZ-CD1 3.9Å; F8-I39 HydrophobicContact CZ-CG2 3.86Å; F8-L40 HydrophobicContact CD2-CD2 4.46Å; F8-L40 HydrophobicContact CE2-CD2 4.09Å; F8-L40 HydrophobicContact CE2-CG 4.08Å; F8-Y66 HydrophobicContact CD2-CD2 4.26Å; F8-Y66 HydrophobicContact CD2-CG 4.24Å; F8-Y66 VanDerWaalsContact CE2-CB 3.4Å; F8-Y66 HydrophobicContact CE2-CD1 4.36Å; F8-Y66 HydrophobicContact CE2-CD2 4.04Å; F8-Y66 AromaticContact CE2-CG 3.7Å; F8-Y66 HydrophobicContact CE2-CG 3.7Å; F8-Y66 HydrophobicContact CZ-CG 4.13Å; F8-Y66 PolarHBondContact N-O 3.39Å; F8-Y66 PolarHBondContact O-N 2.91Å; F8-C68 HydrophobicContact CE1-CB 3.85Å
9S98Very high97.6Very high0 Ų044.4 Ų44.40%020%0.203CC..EExtended strand (participates in β ladder)trans-75.5168.4178.985.40000112.2Q11 G12 K13 S64 E100S9-Q11 PolarHBondContact O-N 3.18Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; S9-Q11 PolarHBondContact OG-N 3.05Å; S9-Q11 PolarHBondContact OG-OE1 2.86Å; S9-G12 WeakPolarHBondContact O-CA 3.5Å; S9-G12 PolarHBondContact O-N 2.97Å; S9-K13 PolarHBondContact N-O 3.48Å; S9-K13 PolarHBondContact OG-N 3.01Å; S9-S64 CarbonylContact C-O 3.52Å; S9-E100 WeakPolarHBondContact CB-OE1 3.27Å
10R96.6Very high97.6Very high164 Ų16444.1 Ų44.162%0.61920%0.2SC*.THydrogen-bonded Turntrans-56.9-23.6169.1-174.3177170.6-173.5-2.9113.8G12 S64 Y66R10-G12 VanDerWaalsContact C-N 3.28Å; R10-S64 PolarHBondContact N-O 2.66Å; R10-Y66 HydrophobicContact CB-CE2 4.42Å
11Q96.7Very high97.6Very high139 Ų13943.2 Ų43.265%0.6520%0.198SC*.THydrogen-bonded Turntrans-86.84.4173.6-50.994.312.300113.1S9 K13S9-Q11 PolarHBondContact O-N 3.18Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; S9-Q11 PolarHBondContact OG-N 3.05Å; S9-Q11 PolarHBondContact OG-OE1 2.86Å; Q11-K13 VanDerWaalsContact C-N 3.33Å
12G97.1Very high97.8Very high25 Ų2546.5 Ų46.526%0.25822%0.224SC..  trans77.514.5-178.800000114.6S9 R10S9-G12 WeakPolarHBondContact O-CA 3.5Å; S9-G12 PolarHBondContact O-N 2.97Å; R10-G12 VanDerWaalsContact C-N 3.28Å
13K97.8Very high97.8Very high128 Ų12848.4 Ų48.456%0.55723%0.234SC*.  trans-79.5121.3174.9-65.8-174177.5-176.80109.5F8 S9 Q11F8-K13 CarbonylContact C-O 3.56Å; F8-K13 WeakPolarHBondContact CA-O 3.21Å; F8-K13 WeakPolarHBondContact CB-O 3.3Å; S9-K13 PolarHBondContact N-O 3.48Å; S9-K13 PolarHBondContact OG-N 3.01Å; Q11-K13 VanDerWaalsContact C-N 3.33Å
14L98.1Very high97.8Very high69 Ų6949.6 Ų49.636%0.36125%0.246SC..EExtended strand (participates in β ladder)trans-64.8137173.2-77.2166000110.5L6 L7 F8L6-L14 HydrophobicContact CB-CD2 4.33Å; L6-L14 HydrophobicContact CD2-CD2 4.37Å; L7-L14 WeakPolarHBondContact O-CA 3.34Å; F8-L14 HydrophobicContact CB-CD2 4.24Å
15R98.1Very high97.7Very high59 Ų5954.6 Ų54.622%0.22327%0.273CS..EExtended strand (participates in β ladder)trans-112.1-34.5175.1-55.2-51.6-177.6-1756.3111.8L7 L65 E100 I103L7-R15 HydrophobicContact CB-CB 4.28Å; L7-R15 PolarHBondContact O-N 3.26Å; R15-L65 HydrophobicContact CG-CD2 3.87Å; R15-E100 IonicContact CZ-OE1 2.76Å; R15-E100 VanDerWaalsContact CZ-OE1 3.23Å; R15-E100 IonicContact NE-OE1 3.8Å; R15-E100 PolarHBondContact NE-OE1 2.98Å; R15-E100 IonicContact NH2-OE1 3.56Å; R15-E100 PolarHBondContact NH2-OE1 3.1Å; R15-I103 HydrophobicContact CB-CG2 4.21Å
16L98.4Very high97.7Very high3 Ų363 Ų632%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-149.2141.8177.7-172163.7000108.9L7 K18 Y87 A110 Y111 L114L7-L16 HydrophobicContact CB-CB 3.96Å; L7-L16 HydrophobicContact CD1-CB 4.2Å; L7-L16 HydrophobicContact CD1-CD2 4.28Å; L7-L16 HydrophobicContact CD2-CB 4.08Å; L7-L16 HydrophobicContact CD2-CD1 4.33Å; L7-L16 HydrophobicContact CG-CB 4.3Å; L7-L16 PolarHBondContact N-O 3.32Å; L7-L16 PolarHBondContact O-N 3.1Å; L16-K18 HydrophobicContact CD2-CB 4.11Å; L16-Y87 WeakPolarHBondContact CD1-OH 3.48Å; L16-A110 HydrophobicContact CD1-CB 4.18Å; L16-Y111 HydrophobicContact CD1-CD1 4.47Å; L16-Y111 HydrophobicContact CD1-CE1 4.48Å; L16-Y111 HydrophobicContact CD2-CD1 4.42Å; L16-Y111 HydrophobicContact CD2-CE1 3.83Å; L16-Y111 HydrophobicContact CG-CD1 4.22Å; L16-Y111 HydrophobicContact CG-CD2 4.4Å; L16-Y111 HydrophobicContact CG-CE1 3.76Å; L16-Y111 HydrophobicContact CG-CE2 3.94Å; L16-L114 HydrophobicContact CD1-CD2 4.23Å; L16-L114 HydrophobicContact CD2-CD2 3.84Å
17Q98.1Very high97.6Very high80 Ų8067.6 Ų67.637%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-141.5106.4172.150.9168.51000110.3M5 L6 Y111M5-Q17 WeakPolarHBondContact O-CA 3.47Å; L6-Q17 HydrophobicContact CD2-CB 3.64Å; Q17-Y111 PolarHBondContact N-OH 2.89Å; Q17-Y111 PolarHBondContact O-OH 2.96Å
18K98.3Very high97.6Very high46 Ų4670.9 Ų70.920%0.234%0.343CS..EExtended strand (participates in β ladder)trans-105121.2175.3-170.573.2178-166.50108.7F4 M5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.53Å; F4-K18 WeakPolarHBondContact CA-O 3.16Å; F4-K18 WeakPolarHBondContact CB-O 3.45Å; M5-K18 PolarHBondContact N-O 3.29Å; M5-K18 PolarHBondContact O-N 3.15Å; L16-K18 HydrophobicContact CD2-CB 4.11Å; K18-Y20 HydrophobicContact CD-CE1 4.46Å; K18-Y20 HydrophobicContact CG-CD1 4.34Å; K18-Y20 HydrophobicContact CG-CE1 3.7Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; K18-Y111 HydrophobicContact CD-CD1 4.36Å; K18-Y111 HydrophobicContact CD-CE1 4.41Å; K18-L114 HydrophobicContact CB-CD2 3.79Å; K18-L114 HydrophobicContact CG-CD2 4.08Å; K18-D115 WeakPolarHBondContact CE-OD1 3.43Å; K18-D115 IonicContact NZ-OD1 3.23Å; K18-D115 PolarHBondContact NZ-OD1 2.88Å; K18-D115 IonicContact NZ-OD2 2.77Å; K18-D115 PolarHBondContact NZ-OD2 2.9Å
19W98.3Very high97.5Very high29 Ų2977.7 Ų77.711%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-110.2117.9178.4-60.291.4000108.3F4 L6 L23 R28 I31 S32F4-W19 HydrophobicContact CB-CD2 4.01Å; F4-W19 HydrophobicContact CB-CE3 3.49Å; F4-W19 VanDerWaalsContact CB-CE3 3.49Å; F4-W19 HydrophobicContact CB-CZ3 3.87Å; F4-W19 AromaticContact CD1-CE3 3.68Å; F4-W19 HydrophobicContact CD1-CE3 3.68Å; F4-W19 HydrophobicContact CD1-CH2 4.25Å; F4-W19 AromaticContact CD1-CZ3 3.31Å; F4-W19 HydrophobicContact CD1-CZ3 3.31Å; F4-W19 HydrophobicContact CD2-CZ3 4.23Å; F4-W19 AromaticContact CE1-CZ3 3.81Å; F4-W19 HydrophobicContact CE1-CZ3 3.81Å; F4-W19 AromaticContact CG-CE3 3.72Å; F4-W19 HydrophobicContact CG-CE3 3.72Å; F4-W19 HydrophobicContact CG-CH2 4.23Å; F4-W19 AromaticContact CG-CZ3 3.54Å; F4-W19 HydrophobicContact CG-CZ3 3.54Å; F4-W19 HydrophobicContact CZ-CZ3 4.44Å; L6-W19 HydrophobicContact CD2-CZ2 4.13Å; W19-L23 HydrophobicContact CE3-CD1 3.62Å; W19-L23 HydrophobicContact CZ3-CD1 3.61Å; W19-R28 HydrophobicContact CD2-CB 4.46Å; W19-R28 HydrophobicContact CD2-CG 3.8Å; W19-R28 HydrophobicContact CE3-CG 4.22Å; W19-R28 HydrophobicContact CG-CG 4.26Å; W19-R28 HydrophobicContact CH2-CB 4.14Å; W19-R28 HydrophobicContact CH2-CG 4.27Å; W19-R28 HydrophobicContact CZ2-CB 3.58Å; W19-R28 HydrophobicContact CZ2-CG 3.84Å; W19-R28 HydrophobicContact CZ3-CG 4.43Å; W19-I31 HydrophobicContact CH2-CB 4Å; W19-I31 HydrophobicContact CH2-CD1 4.5Å; W19-I31 HydrophobicContact CH2-CG2 3.86Å; W19-I31 HydrophobicContact CZ3-CD1 4.31Å; W19-I31 HydrophobicContact CZ3-CG2 4.25Å; W19-S32 WeakPolarHBondContact CZ2-OG 3.27Å
20Y97.9Very high97.5Very high37 Ų3784.3 Ų84.315%0.14540%0.401CS..SBendtrans-91-11179-61.3-70000112.4M2 Q3 K18 L118 G121M2-Y20 HydrophobicContact CB-CD2 4.44Å; M2-Y20 HydrophobicContact CG-CD2 4.26Å; M2-Y20 HydrophobicContact CG-CE2 4.26Å; M2-Y20 WeakPolarHBondContact O-CB 3.37Å; M2-Y20 WeakPolarHBondContact O-CD2 3.27Å; M2-Y20 HydrophobicContact SD-CD2 4.38Å; M2-Y20 HydrophobicContact SD-CE2 3.79Å; Q3-Y20 PolarHBondContact O-N 3.44Å; K18-Y20 HydrophobicContact CD-CE1 4.46Å; K18-Y20 HydrophobicContact CG-CD1 4.34Å; K18-Y20 HydrophobicContact CG-CE1 3.7Å; K18-Y20 HydrophobicContact CG-CE2 4.03Å; Y20-L118 WeakPolarHBondContact OH-CB 3.07Å; Y20-G121 VanDerWaalsContact CG-CA 3.49Å; Y20-G121 VanDerWaalsContact CG-N 3.34Å
21V96.9Very high97.6Very high26 Ų2677.1 Ų77.116%0.15838%0.375CS..SBendtrans-114147.6173.8-69.20000112.9M1 Q3 L23M1-V21 HydrophobicContact CE-CG1 4.11Å; Q3-V21 HydrophobicContact CB-CG2 4.46Å; V21-L23 HydrophobicContact CG2-CD1 4.09Å; V21-L23 HydrophobicContact CG2-CD2 4.5Å; V21-L23 HydrophobicContact CG2-CG 3.99Å; V21-L23 PolarHBondContact O-N 3.01Å
22P96.1Very high97.6Very high129 Ų12970.8 Ų70.884%0.83835%0.346SS*.  trans-73.799.9179.230.4-34.3000110.7
23L96.3Very high97.6Very high48 Ų4877.3 Ų77.325%0.25136%0.363SS..  trans-114.6150172.2-62175.8000111.2W19 V21 E27 R28 I31W19-L23 HydrophobicContact CE3-CD1 3.62Å; W19-L23 HydrophobicContact CZ3-CD1 3.61Å; V21-L23 HydrophobicContact CG2-CD1 4.09Å; V21-L23 HydrophobicContact CG2-CD2 4.5Å; V21-L23 HydrophobicContact CG2-CG 3.99Å; V21-L23 PolarHBondContact O-N 3.01Å; L23-E27 HydrophobicContact CB-CB 4.5Å; L23-R28 HydrophobicContact CB-CG 3.88Å; L23-R28 PolarHBondContact O-NE 3.41Å; L23-R28 PolarHBondContact O-NH2 3.23Å; L23-I31 HydrophobicContact CD1-CD1 3.92Å
24S97.8Very high97.6Very high56 Ų5674 Ų7439%0.39235%0.351SS..  trans-68.8152.4172.870.80000111.6K26 E27 R28S24-K26 PolarHBondContact O-N 3.42Å; S24-K26 VanDerWaalsContact O-N 3.14Å; S24-E27 VanDerWaalsContact CB-OE2 3.29Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 PolarHBondContact N-OE2 3.12Å; S24-E27 WeakPolarHBondContact O-CB 3.29Å; S24-E27 PolarHBondContact O-N 3.12Å; S24-E27 VanDerWaalsContact OG-CD 3.3Å; S24-E27 VanDerWaalsContact OG-CG 3.28Å; S24-E27 WeakPolarHBondContact OG-CG 3.32Å; S24-E27 PolarHBondContact OG-N 3.42Å; S24-E27 PolarHBondContact OG-OE2 3.29Å; S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 2.8Å
25D96.8Very high97.6Very high108 Ų10870.7 Ų70.758%0.57833%0.334SS*.Hα-helixtrans-59-30.3177.8-73.4-22.6000113.3R28 K29D25-R28 IonicContact OD1-NH1 2.79Å; D25-K29 WeakPolarHBondContact O-CB 3.38Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.28Å; D25-K29 PolarHBondContact O-N 2.94Å
26K97.8Very high97.6Very high178 Ų17868.4 Ų68.477%0.77433%0.327SS*.Hα-helixtrans-64.7-44.3175.3-175.5-179.5178.6-177.70110.9S24 K30S24-K26 PolarHBondContact O-N 3.42Å; S24-K26 VanDerWaalsContact O-N 3.14Å; K26-K30 WeakPolarHBondContact O-CB 3.46Å; K26-K30 PolarHBondContact O-N 2.93Å; K26-K30 VanDerWaalsContact O-N 3.09Å
27E97.3Very high97.6Very high96 Ų9674.3 Ų74.345%0.44935%0.354SS..Hα-helixtrans-67.8-48.1177.3-70.7165.112500111L23 S24 K29 K30 I31L23-E27 HydrophobicContact CB-CB 4.5Å; S24-E27 VanDerWaalsContact CB-OE2 3.29Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 PolarHBondContact N-OE2 3.12Å; S24-E27 WeakPolarHBondContact O-CB 3.29Å; S24-E27 PolarHBondContact O-N 3.12Å; S24-E27 VanDerWaalsContact OG-CD 3.3Å; S24-E27 VanDerWaalsContact OG-CG 3.28Å; S24-E27 WeakPolarHBondContact OG-CG 3.32Å; S24-E27 PolarHBondContact OG-N 3.42Å; S24-E27 PolarHBondContact OG-OE2 3.29Å; E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 3.43Å; E27-K30 WeakPolarHBondContact O-CB 3.4Å; E27-K30 PolarHBondContact O-N 3.33Å; E27-I31 VanDerWaalsContact O-CG1 3.26Å; E27-I31 WeakPolarHBondContact O-CG1 3.43Å; E27-I31 PolarHBondContact O-N 3.25Å
28R97.9Very high97.5Very high69 Ų6973.1 Ų73.126%0.2635%0.353SS..Hα-helixtrans-52.1-50.3176.4-65.9175.8-174.1-171.7-6.9111.3W19 L23 S24 D25 K30 I31 S32W19-R28 HydrophobicContact CD2-CB 4.46Å; W19-R28 HydrophobicContact CD2-CG 3.8Å; W19-R28 HydrophobicContact CE3-CG 4.22Å; W19-R28 HydrophobicContact CG-CG 4.26Å; W19-R28 HydrophobicContact CH2-CB 4.14Å; W19-R28 HydrophobicContact CH2-CG 4.27Å; W19-R28 HydrophobicContact CZ2-CB 3.58Å; W19-R28 HydrophobicContact CZ2-CG 3.84Å; W19-R28 HydrophobicContact CZ3-CG 4.43Å; L23-R28 HydrophobicContact CB-CG 3.88Å; L23-R28 PolarHBondContact O-NE 3.41Å; L23-R28 PolarHBondContact O-NH2 3.23Å; S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 2.8Å; D25-R28 IonicContact OD1-NH1 2.79Å; R28-K30 VanDerWaalsContact C-N 3.34Å; R28-K30 PolarHBondContact O-N 3.21Å; R28-I31 PolarHBondContact O-N 3Å; R28-S32 WeakPolarHBondContact O-CB 3.43Å; R28-S32 PolarHBondContact O-N 3.16Å; R28-S32 PolarHBondContact O-OG 2.78Å; R28-S32 VanDerWaalsContact O-OG 3.07Å
29K97.6Very high97.5Very high143 Ų14371 Ų7162%0.62234%0.343SS*.Hα-helixtrans-61.9-38.7177.5-73.6174.8-174.61770113D25 E27 R33D25-K29 WeakPolarHBondContact O-CB 3.38Å; D25-K29 VanDerWaalsContact O-CG 3.24Å; D25-K29 WeakPolarHBondContact O-CG 3.28Å; D25-K29 PolarHBondContact O-N 2.94Å; E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 3.43Å; K29-R33 WeakPolarHBondContact O-CB 3.38Å; K29-R33 PolarHBondContact O-N 3.4Å
30K97.8Very high97.5Very high138 Ų13872.1 Ų72.160%0.635%0.351SS*.Hα-helixtrans-66.2-48.5177.6-176.4-178.4177.4-1750110.8K26 E27 R28 R33 D34K26-K30 WeakPolarHBondContact O-CB 3.46Å; K26-K30 PolarHBondContact O-N 2.93Å; K26-K30 VanDerWaalsContact O-N 3.09Å; E27-K30 WeakPolarHBondContact O-CB 3.4Å; E27-K30 PolarHBondContact O-N 3.33Å; R28-K30 VanDerWaalsContact C-N 3.34Å; R28-K30 PolarHBondContact O-N 3.21Å; K30-R33 PolarHBondContact O-N 3.44Å; K30-D34 WeakPolarHBondContact O-CB 3.28Å; K30-D34 PolarHBondContact O-N 3.46Å; K30-D34 VanDerWaalsContact O-N 3.08Å
31I97.7Very high97.4Very high13 Ų1374.5 Ų74.57%0.06738%0.378CS..Hα-helixtrans-62.6-51.2-179.3-65.3172.7000110.4F4 W19 L23 E27 R28 R33 D34 L35 W52F4-I31 HydrophobicContact CE1-CG2 4.01Å; F4-I31 HydrophobicContact CE2-CG2 4.42Å; F4-I31 HydrophobicContact CZ-CG2 3.7Å; W19-I31 HydrophobicContact CH2-CB 4Å; W19-I31 HydrophobicContact CH2-CD1 4.5Å; W19-I31 HydrophobicContact CH2-CG2 3.86Å; W19-I31 HydrophobicContact CZ3-CD1 4.31Å; W19-I31 HydrophobicContact CZ3-CG2 4.25Å; L23-I31 HydrophobicContact CD1-CD1 3.92Å; E27-I31 VanDerWaalsContact O-CG1 3.26Å; E27-I31 WeakPolarHBondContact O-CG1 3.43Å; E27-I31 PolarHBondContact O-N 3.25Å; R28-I31 PolarHBondContact O-N 3Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.35Å; I31-D34 PolarHBondContact O-N 3.5Å; I31-L35 HydrophobicContact CG2-CD1 3.82Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 PolarHBondContact O-N 3.07Å; I31-W52 HydrophobicContact CB-CH2 4.26Å; I31-W52 HydrophobicContact CD1-CH2 4.32Å; I31-W52 HydrophobicContact CG1-CH2 3.88Å; I31-W52 HydrophobicContact CG1-CZ2 4.43Å; I31-W52 HydrophobicContact CG2-CH2 3.66Å; I31-W52 HydrophobicContact CG2-CZ2 4.18Å; I31-W52 HydrophobicContact CG2-CZ3 4.37Å
32S97.8Very high97.4Very high6 Ų676 Ų764%0.04238%0.381CS..Hα-helixtrans-59.2-42.4-179.8-59.80000112W19 R28 V36W19-S32 WeakPolarHBondContact CZ2-OG 3.27Å; R28-S32 WeakPolarHBondContact O-CB 3.43Å; R28-S32 PolarHBondContact O-N 3.16Å; R28-S32 PolarHBondContact O-OG 2.78Å; R28-S32 VanDerWaalsContact O-OG 3.07Å; S32-V36 WeakPolarHBondContact O-CB 3.48Å; S32-V36 WeakPolarHBondContact O-CG2 3.36Å; S32-V36 PolarHBondContact O-N 3.08Å
33R97.6Very high97.4Very high163 Ų16377.3 Ų77.362%0.61537%0.374SS*.Hα-helixtrans-63.1-47.7178.5-172-172.5-56.7158.12.3111.9K29 K30 I31 Q37K29-R33 WeakPolarHBondContact O-CB 3.38Å; K29-R33 PolarHBondContact O-N 3.4Å; K30-R33 PolarHBondContact O-N 3.44Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.35Å; R33-Q37 WeakPolarHBondContact O-CB 3.46Å; R33-Q37 VanDerWaalsContact O-CG 3.24Å; R33-Q37 WeakPolarHBondContact O-CG 3.15Å; R33-Q37 PolarHBondContact O-N 3.47Å; R33-Q37 VanDerWaalsContact O-N 3.08Å
34D97.1Very high97.1Very high57 Ų5781.2 Ų81.231%0.30540%0.402SS..Hα-helixtrans-61.9-49.1-178.8-17634.5000111.5K30 I31 Q37 T38 W52K30-D34 WeakPolarHBondContact O-CB 3.28Å; K30-D34 PolarHBondContact O-N 3.46Å; K30-D34 VanDerWaalsContact O-N 3.08Å; I31-D34 PolarHBondContact O-N 3.5Å; D34-Q37 PolarHBondContact O-N 3.48Å; D34-T38 VanDerWaalsContact O-CB 3.31Å; D34-T38 WeakPolarHBondContact O-CB 3.35Å; D34-T38 PolarHBondContact O-N 3.11Å; D34-T38 PolarHBondContact O-OG1 3.08Å; D34-W52 PolarHBondContact OD2-NE1 3.06Å
35L97.8Very high96.8Very high0 Ų088.7 Ų88.70%043%0.427CS..Hα-helixtrans-69.5-41.3-179.2-76.5176.2000113.1F4 I31 Q37 T38 I39 W52 I57F4-L35 HydrophobicContact CE2-CD1 3.68Å; F4-L35 HydrophobicContact CZ-CD1 3.47Å; F4-L35 VanDerWaalsContact CZ-CD1 3.47Å; I31-L35 HydrophobicContact CG2-CD1 3.82Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 PolarHBondContact O-N 3.07Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 3.18Å; L35-T38 PolarHBondContact O-N 3.33Å; L35-I39 WeakPolarHBondContact O-CB 3.38Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 3.18Å; L35-W52 HydrophobicContact CD1-CE3 4.5Å; L35-W52 HydrophobicContact CD2-CB 4.37Å; L35-W52 HydrophobicContact CD2-CD2 3.82Å; L35-W52 HydrophobicContact CD2-CE3 4.48Å; L35-W52 HydrophobicContact CD2-CG 3.74Å; L35-W52 HydrophobicContact CG-CD2 4.34Å; L35-W52 HydrophobicContact CG-CZ2 4.27Å; L35-I57 HydrophobicContact CD1-CD1 3.94Å; L35-I57 HydrophobicContact CD2-CD1 4.02Å; L35-I57 HydrophobicContact CD2-CG1 3.85Å
36V98.3Very high96.8Very high12 Ų1287.7 Ų87.77%0.07342%0.42CS..Hα-helixtrans-60.8-46.5176.6168.70000110.3F8 S32 L40F8-V36 HydrophobicContact CB-CG2 4.23Å; F8-V36 HydrophobicContact CD1-CG2 3.69Å; F8-V36 HydrophobicContact CD2-CB 4.43Å; F8-V36 HydrophobicContact CD2-CG1 3.9Å; F8-V36 HydrophobicContact CD2-CG2 4Å; F8-V36 HydrophobicContact CE1-CG2 3.94Å; F8-V36 HydrophobicContact CE2-CB 4.44Å; F8-V36 HydrophobicContact CE2-CG1 4.15Å; F8-V36 HydrophobicContact CE2-CG2 4.23Å; F8-V36 HydrophobicContact CG-CG1 4.35Å; F8-V36 HydrophobicContact CG-CG2 3.71Å; F8-V36 HydrophobicContact CZ-CG2 4.21Å; S32-V36 WeakPolarHBondContact O-CB 3.48Å; S32-V36 WeakPolarHBondContact O-CG2 3.36Å; S32-V36 PolarHBondContact O-N 3.08Å; V36-L40 HydrophobicContact CG1-CD1 3.72Å; V36-L40 HydrophobicContact CG1-CG 4.33Å; V36-L40 WeakPolarHBondContact O-CB 3.47Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.04Å
37Q97.5Very high96.7Very high126 Ų12682.7 Ų82.759%0.58941%0.407SS*.Hα-helixtrans-61.7-46.8176.6-73.7177.2-9.100111.5R33 D34 L35 I39 L40 A41R33-Q37 WeakPolarHBondContact O-CB 3.46Å; R33-Q37 VanDerWaalsContact O-CG 3.24Å; R33-Q37 WeakPolarHBondContact O-CG 3.15Å; R33-Q37 PolarHBondContact O-N 3.47Å; R33-Q37 VanDerWaalsContact O-N 3.08Å; D34-Q37 PolarHBondContact O-N 3.48Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 3.18Å; Q37-I39 PolarHBondContact O-N 2.9Å; Q37-L40 PolarHBondContact O-N 3.09Å; Q37-A41 WeakPolarHBondContact O-CB 3.48Å; Q37-A41 PolarHBondContact O-N 3.04Å; Q37-A41 VanDerWaalsContact O-N 3.12Å
38T97.4Very high96.7Very high55 Ų5579.2 Ų79.234%0.33739%0.394SS..Hα-helixtrans-58.4-49.1178.9-60.60000111.9D34 L35 A41 R42D34-T38 VanDerWaalsContact O-CB 3.31Å; D34-T38 WeakPolarHBondContact O-CB 3.35Å; D34-T38 PolarHBondContact O-N 3.11Å; D34-T38 PolarHBondContact O-OG1 3.08Å; L35-T38 PolarHBondContact O-N 3.33Å; T38-A41 PolarHBondContact O-N 3.5Å; T38-R42 WeakPolarHBondContact O-CG 3.49Å
39I97.9Very high96.7Very high1 Ų178.8 Ų78.81%0.00539%0.394CS..Hα-helixtrans-68.5-42.1-177.7-68.8166.3000111.2F8 L35 Q37 A41 R42 L50 I57 Y59 Y66 C68F8-I39 HydrophobicContact CE1-CD1 4.32Å; F8-I39 HydrophobicContact CE2-CG2 4.28Å; F8-I39 HydrophobicContact CZ-CB 3.99Å; F8-I39 HydrophobicContact CZ-CD1 3.9Å; F8-I39 HydrophobicContact CZ-CG2 3.86Å; L35-I39 WeakPolarHBondContact O-CB 3.38Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 3.18Å; Q37-I39 PolarHBondContact O-N 2.9Å; I39-A41 VanDerWaalsContact C-N 3.25Å; I39-A41 PolarHBondContact O-N 2.66Å; I39-R42 WeakPolarHBondContact O-CB 3.34Å; I39-R42 PolarHBondContact O-N 2.76Å; I39-R42 VanDerWaalsContact O-N 3.16Å; I39-L50 HydrophobicContact CG1-CD1 3.98Å; I39-I57 HydrophobicContact CD1-CG2 4.25Å; I39-Y59 HydrophobicContact CD1-CG 4.26Å; I39-Y59 HydrophobicContact CG1-CD1 4.36Å; I39-Y59 HydrophobicContact CG1-CG 4.3Å; I39-Y59 HydrophobicContact CG2-CD2 3.56Å; I39-Y59 HydrophobicContact CG2-CE2 3.83Å; I39-Y59 HydrophobicContact CG2-CG 4Å; I39-Y66 HydrophobicContact CG2-CD1 3.73Å; I39-Y66 HydrophobicContact CG2-CE1 4.1Å; I39-C68 HydrophobicContact CD1-CB 3.96Å; I39-C68 WeakPolarHBondContact CD1-SG 3.43Å
40L97.6Very high96.7Very high54 Ų5473.1 Ų73.128%0.28337%0.37SS..Hα-helixtrans-67.1-25.3179.7-70.5177.9000113.3F8 V36 Q37 R42 Y66F8-L40 HydrophobicContact CD2-CD2 4.46Å; F8-L40 HydrophobicContact CE2-CD2 4.09Å; F8-L40 HydrophobicContact CE2-CG 4.08Å; V36-L40 HydrophobicContact CG1-CD1 3.72Å; V36-L40 HydrophobicContact CG1-CG 4.33Å; V36-L40 WeakPolarHBondContact O-CB 3.47Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.04Å; Q37-L40 PolarHBondContact O-N 3.09Å; L40-R42 VanDerWaalsContact C-N 3.25Å; L40-R42 PolarHBondContact O-N 3.21Å; L40-Y66 HydrophobicContact CD2-CD2 3.95Å; L40-Y66 HydrophobicContact CD2-CE2 3.54Å
41A97.1Very high96.6Very high86 Ų8675.1 Ų75.171%0.71138%0.381SS*.THydrogen-bonded Turntrans-75.4-10.6175.700000113.6Q37 T38 I39Q37-A41 WeakPolarHBondContact O-CB 3.48Å; Q37-A41 PolarHBondContact O-N 3.04Å; Q37-A41 VanDerWaalsContact O-N 3.12Å; T38-A41 PolarHBondContact O-N 3.5Å; I39-A41 VanDerWaalsContact C-N 3.25Å; I39-A41 PolarHBondContact O-N 2.66Å
42R96.9Very high96.4Very high57 Ų5775.9 Ų75.922%0.21538%0.383CS..SBendtrans-81.7148.4-175.3-66.71766785.8-13.7113.1T38 I39 L40 M46 C47 Y59T38-R42 WeakPolarHBondContact O-CG 3.49Å; I39-R42 WeakPolarHBondContact O-CB 3.34Å; I39-R42 PolarHBondContact O-N 2.76Å; I39-R42 VanDerWaalsContact O-N 3.16Å; L40-R42 VanDerWaalsContact C-N 3.25Å; L40-R42 PolarHBondContact O-N 3.21Å; R42-M46 HydrophobicContact CB-SD 3.93Å; R42-M46 HydrophobicContact CG-SD 4.19Å; R42-M46 VanDerWaalsContact NH1-CE 3.31Å; R42-C47 PolarHBondContact NH2-O 3.15Å; R42-Y59 WeakPolarHBondContact CD-OH 3.09Å; R42-Y59 PolarHBondContact NE-OH 2.63Å
43K95Very high96.1Very high158 Ų15882.2 Ų82.269%0.68741%0.406SS*.  trans-77.9147.3176-64176.4-179.7174.80110.7K45 M46K43-K45 PolarHBondContact O-N 3.15Å; K43-M46 HydrophobicContact CB-CG 4.06Å; K43-M46 HydrophobicContact CB-SD 4.19Å; K43-M46 PolarHBondContact N-SD 3.49Å; K43-M46 WeakPolarHBondContact O-CB 3.46Å; K43-M46 WeakPolarHBondContact O-CG 3.43Å; K43-M46 PolarHBondContact O-N 2.93Å
44P90.2Very high95.9Very high129 Ų12981.8 Ų81.884%0.83842%0.417SS*.THydrogen-bonded Turntrans-58.6-23.4-174.9-28.635.7000117
45K91.9Very high95.9Very high213 Ų21380.7 Ų80.793%0.92641%0.41SS*.THydrogen-bonded Turntrans-921.1-179.7-66.8-174.5176.7-176.40113.9K43K43-K45 PolarHBondContact O-N 3.15Å
46M96.1Very high95.9Very high87 Ų8782.3 Ų82.343%0.42942%0.417SS..SBendtrans-74159.6178.3-64.3-175.677.600111R42 K43R42-M46 HydrophobicContact CB-SD 3.93Å; R42-M46 HydrophobicContact CG-SD 4.19Å; R42-M46 VanDerWaalsContact NH1-CE 3.31Å; K43-M46 HydrophobicContact CB-CG 4.06Å; K43-M46 HydrophobicContact CB-SD 4.19Å; K43-M46 PolarHBondContact N-SD 3.49Å; K43-M46 WeakPolarHBondContact O-CB 3.46Å; K43-M46 WeakPolarHBondContact O-CG 3.43Å; K43-M46 PolarHBondContact O-N 2.93Å
47C96.6Very high95.9Very high73 Ų7381.8 Ų81.849%0.49341%0.414SS..  trans-56.3142.3176.9-171.10000111.4R42 F49 Y59R42-C47 PolarHBondContact NH2-O 3.15Å; C47-F49 PolarHBondContact O-N 2.95Å; C47-F49 WeakPolarHBondContact SG-CD2 3.5Å; C47-F49 PolarHBondContact SG-N 3.3Å; C47-F49 VanDerWaalsContact SG-N 3.38Å; C47-Y59 WeakPolarHBondContact O-CE1 3.47Å; C47-Y59 PolarHBondContact O-OH 3.38Å
48S97.4Very high96Very high24 Ų2475.8 Ų75.817%0.16839%0.386CS..SBendtrans-71-4.9173-89.80000113.7Y59S48-Y59 VanDerWaalsContact CB-O 3.22Å; S48-Y59 WeakPolarHBondContact CB-O 3.41Å; S48-Y59 VanDerWaalsContact O-CD1 3.24Å; S48-Y59 WeakPolarHBondContact O-CD1 3.39Å; S48-Y59 PolarHBondContact O-N 3.45Å; S48-Y59 PolarHBondContact OG-O 2.63Å
49F97.9Very high96.1Very high60 Ų6074 Ų7426%0.26337%0.373SS..EExtended strand (participates in β ladder)trans-113.4144.6-178.5-42.2-47.9000110.8C47 I57 V58 E77 L78 L81C47-F49 PolarHBondContact O-N 2.95Å; C47-F49 WeakPolarHBondContact SG-CD2 3.5Å; C47-F49 PolarHBondContact SG-N 3.3Å; C47-F49 VanDerWaalsContact SG-N 3.38Å; F49-I57 CarbonylContact C-O 3.59Å; F49-I57 VanDerWaalsContact CA-O 3.28Å; F49-I57 WeakPolarHBondContact CA-O 3.43Å; F49-V58 HydrophobicContact CD1-CB 4.3Å; F49-V58 HydrophobicContact CD1-CG1 3.95Å; F49-V58 HydrophobicContact CD1-CG2 3.94Å; F49-V58 HydrophobicContact CE1-CG1 3.8Å; F49-V58 HydrophobicContact CE1-CG2 4.35Å; F49-E77 HydrophobicContact CD1-CB 3.63Å; F49-E77 HydrophobicContact CD1-CG 4.31Å; F49-E77 HydrophobicContact CD2-CB 4.24Å; F49-E77 HydrophobicContact CE1-CB 3.63Å; F49-E77 HydrophobicContact CE2-CB 4.26Å; F49-E77 HydrophobicContact CG-CB 3.97Å; F49-E77 HydrophobicContact CG-CG 4.31Å; F49-E77 HydrophobicContact CZ-CB 3.98Å; F49-L78 HydrophobicContact CE2-CD2 4.2Å; F49-L78 HydrophobicContact CZ-CD2 3.82Å; F49-L81 HydrophobicContact CE1-CD2 4.47Å; F49-L81 HydrophobicContact CZ-CD2 4.38Å
50L96Very high96.1Very high24 Ų2477.8 Ų77.813%0.12639%0.39CS..EExtended strand (participates in β ladder)trans-136.9139.5176.1-50.9160.6000108.9I39 K56 I57 Y59I39-L50 HydrophobicContact CG1-CD1 3.98Å; L50-K56 CarbonylContact O-C 3.51Å; L50-K56 WeakPolarHBondContact O-CA 3.24Å; L50-I57 HydrophobicContact CB-CB 4.03Å; L50-I57 HydrophobicContact CB-CG1 4.47Å; L50-I57 HydrophobicContact CD1-CB 4.13Å; L50-I57 HydrophobicContact CD1-CG2 4.18Å; L50-I57 HydrophobicContact CG-CB 4.47Å; L50-I57 PolarHBondContact N-O 2.93Å; L50-I57 PolarHBondContact O-N 3.01Å; L50-Y59 HydrophobicContact CD1-CD1 4.03Å; L50-Y59 HydrophobicContact CD1-CE1 4.07Å; L50-Y59 HydrophobicContact CG-CD1 4.34Å; L50-Y59 HydrophobicContact CG-CE1 4.15Å
51E95.9Very high96.1Very high180 Ų18080.4 Ų80.484%0.84140%0.396SS*.EExtended strand (participates in β ladder)trans-81.3126.9158-67.6175.3-17200108
52W94.9Very high96.1Very high28 Ų2879 Ų7911%0.10637%0.373CS..EExtended strand (participates in β ladder)trans-141107.9176.4177.985.4000108.5I31 D34 L35 L55 I57I31-W52 HydrophobicContact CB-CH2 4.26Å; I31-W52 HydrophobicContact CD1-CH2 4.32Å; I31-W52 HydrophobicContact CG1-CH2 3.88Å; I31-W52 HydrophobicContact CG1-CZ2 4.43Å; I31-W52 HydrophobicContact CG2-CH2 3.66Å; I31-W52 HydrophobicContact CG2-CZ2 4.18Å; I31-W52 HydrophobicContact CG2-CZ3 4.37Å; D34-W52 PolarHBondContact OD2-NE1 3.06Å; L35-W52 HydrophobicContact CD1-CE3 4.5Å; L35-W52 HydrophobicContact CD2-CB 4.37Å; L35-W52 HydrophobicContact CD2-CD2 3.82Å; L35-W52 HydrophobicContact CD2-CE3 4.48Å; L35-W52 HydrophobicContact CD2-CG 3.74Å; L35-W52 HydrophobicContact CG-CD2 4.34Å; L35-W52 HydrophobicContact CG-CZ2 4.27Å; W52-L55 CarbonylContact C-O 3.58Å; W52-L55 HydrophobicContact CZ3-CD1 4.25Å; W52-L55 PolarHBondContact N-O 3.37Å; W52-L55 PolarHBondContact O-N 3.3Å; W52-L55 VanDerWaalsContact O-O 3.07Å; W52-I57 HydrophobicContact CB-CD1 4.21Å; W52-I57 HydrophobicContact CB-CG1 3.59Å; W52-I57 HydrophobicContact CD2-CD1 4.46Å; W52-I57 HydrophobicContact CE3-CD1 4.03Å; W52-I57 HydrophobicContact CG-CG1 4.28Å
53R91.6Very high96Very high139 Ų13980.5 Ų80.553%0.52540%0.397SS..THydrogen-bonded Turntrans55.8-139.1-169.2-49.1179.7-177.4174.66.5109.2L55R53-L55 PolarHBondContact O-N 3Å
54D93.6Very high95.9Very high155 Ų15575 Ų7583%0.82938%0.379SS*.THydrogen-bonded Turntrans-87.121178.3-46.2-55.8000112.6
55L96.9Very high96.3Very high34 Ų3469.5 Ų69.518%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-125.7156.7-179.9-62.5177000111.2Q3 W52 R53 A70 E72Q3-L55 HydrophobicContact CB-CD1 4.42Å; Q3-L55 HydrophobicContact CG-CD1 4.06Å; Q3-L55 HydrophobicContact CG-CD2 3.88Å; W52-L55 CarbonylContact C-O 3.58Å; W52-L55 HydrophobicContact CZ3-CD1 4.25Å; W52-L55 PolarHBondContact N-O 3.37Å; W52-L55 PolarHBondContact O-N 3.3Å; W52-L55 VanDerWaalsContact O-O 3.07Å; R53-L55 PolarHBondContact O-N 3Å; L55-A70 HydrophobicContact CD1-CB 4.21Å; L55-E72 HydrophobicContact CD2-CG 4.31Å
56K97.9Very high96.6Very high33 Ų3360.5 Ų60.514%0.14330%0.302CS..EExtended strand (participates in β ladder)trans-100.8130.4169.5-64.4177.4174.61760109.7L50 A70 V71 D73 E77L50-K56 CarbonylContact O-C 3.51Å; L50-K56 WeakPolarHBondContact O-CA 3.24Å; K56-A70 WeakPolarHBondContact O-CA 3.36Å; K56-V71 HydrophobicContact CB-CG2 3.91Å; K56-V71 PolarHBondContact N-O 3.27Å; K56-V71 PolarHBondContact O-N 2.83Å; K56-D73 WeakPolarHBondContact CE-O 3.29Å; K56-D73 WeakPolarHBondContact CE-OD1 3.03Å; K56-D73 PolarHBondContact NZ-O 3.25Å; K56-D73 IonicContact NZ-OD1 2.86Å; K56-E77 HydrophobicContact CD-CG 3.96Å; K56-E77 WeakPolarHBondContact CD-OE1 3.19Å; K56-E77 VanDerWaalsContact CE-OE1 3.22Å; K56-E77 WeakPolarHBondContact CE-OE1 3.13Å; K56-E77 IonicContact NZ-OE1 2.75Å; K56-E77 PolarHBondContact NZ-OE1 3.08Å
57I98.4Very high96.7Very high1 Ų156.7 Ų56.71%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-101.7124.2174.4-49-61.2000108.8L35 I39 F49 L50 W52 C68 C69 A70L35-I57 HydrophobicContact CD1-CD1 3.94Å; L35-I57 HydrophobicContact CD2-CD1 4.02Å; L35-I57 HydrophobicContact CD2-CG1 3.85Å; I39-I57 HydrophobicContact CD1-CG2 4.25Å; F49-I57 CarbonylContact C-O 3.59Å; F49-I57 VanDerWaalsContact CA-O 3.28Å; F49-I57 WeakPolarHBondContact CA-O 3.43Å; L50-I57 HydrophobicContact CB-CB 4.03Å; L50-I57 HydrophobicContact CB-CG1 4.47Å; L50-I57 HydrophobicContact CD1-CB 4.13Å; L50-I57 HydrophobicContact CD1-CG2 4.18Å; L50-I57 HydrophobicContact CG-CB 4.47Å; L50-I57 PolarHBondContact N-O 2.93Å; L50-I57 PolarHBondContact O-N 3.01Å; W52-I57 HydrophobicContact CB-CD1 4.21Å; W52-I57 HydrophobicContact CB-CG1 3.59Å; W52-I57 HydrophobicContact CD2-CD1 4.46Å; W52-I57 HydrophobicContact CE3-CD1 4.03Å; W52-I57 HydrophobicContact CG-CG1 4.28Å; I57-C68 WeakPolarHBondContact CG2-SG 3.24Å; I57-C69 CarbonylContact C-O 3.53Å; I57-C69 WeakPolarHBondContact CA-O 3.24Å; I57-A70 HydrophobicContact CD1-CB 3.55Å
58V98.7Very high96.8Very high0 Ų053.2 Ų53.20%026%0.26CS..EExtended strand (participates in β ladder)trans-109.4120.8174.1-178.10000108.1F49 C68 C69 V71 E77 T80 L81 I84F49-V58 HydrophobicContact CD1-CB 4.3Å; F49-V58 HydrophobicContact CD1-CG1 3.95Å; F49-V58 HydrophobicContact CD1-CG2 3.94Å; F49-V58 HydrophobicContact CE1-CG1 3.8Å; F49-V58 HydrophobicContact CE1-CG2 4.35Å; V58-C68 CarbonylContact O-C 3.49Å; V58-C68 WeakPolarHBondContact O-CA 3.32Å; V58-C69 PolarHBondContact N-O 2.64Å; V58-C69 PolarHBondContact O-N 2.88Å; V58-V71 HydrophobicContact CG2-CG2 4.21Å; V58-E77 HydrophobicContact CG2-CB 3.9Å; V58-E77 HydrophobicContact CG2-CG 4.26Å; V58-T80 HydrophobicContact CB-CG2 3.8Å; V58-T80 HydrophobicContact CG1-CG2 4.11Å; V58-T80 HydrophobicContact CG2-CG2 3.94Å; V58-L81 HydrophobicContact CG1-CB 4.08Å; V58-L81 HydrophobicContact CG1-CD1 3.98Å; V58-I84 HydrophobicContact CG1-CD1 4.12Å
59Y98.5Very high96.9Very high18 Ų1852 Ų527%0.07125%0.252CS..EExtended strand (participates in β ladder)trans-134.6147.5179.881.3-83.4000113.4I39 R42 C47 S48 L50 Y66 F67I39-Y59 HydrophobicContact CD1-CG 4.26Å; I39-Y59 HydrophobicContact CG1-CD1 4.36Å; I39-Y59 HydrophobicContact CG1-CG 4.3Å; I39-Y59 HydrophobicContact CG2-CD2 3.56Å; I39-Y59 HydrophobicContact CG2-CE2 3.83Å; I39-Y59 HydrophobicContact CG2-CG 4Å; R42-Y59 WeakPolarHBondContact CD-OH 3.09Å; R42-Y59 PolarHBondContact NE-OH 2.63Å; C47-Y59 WeakPolarHBondContact O-CE1 3.47Å; C47-Y59 PolarHBondContact O-OH 3.38Å; S48-Y59 VanDerWaalsContact CB-O 3.22Å; S48-Y59 WeakPolarHBondContact CB-O 3.41Å; S48-Y59 VanDerWaalsContact O-CD1 3.24Å; S48-Y59 WeakPolarHBondContact O-CD1 3.39Å; S48-Y59 PolarHBondContact O-N 3.45Å; S48-Y59 PolarHBondContact OG-O 2.63Å; L50-Y59 HydrophobicContact CD1-CD1 4.03Å; L50-Y59 HydrophobicContact CD1-CE1 4.07Å; L50-Y59 HydrophobicContact CG-CD1 4.34Å; L50-Y59 HydrophobicContact CG-CE1 4.15Å; Y59-Y66 HydrophobicContact CD2-CD1 4.36Å; Y59-F67 CarbonylContact C-O 3.57Å; Y59-F67 WeakPolarHBondContact CA-O 3.46Å; Y59-F67 WeakPolarHBondContact CB-O 3.48Å
60K98.2Very high96.9Very high81 Ų8149.2 Ų49.235%0.35224%0.239SC..EExtended strand (participates in β ladder)trans-142.5141.4175.5-168.464.5170.3-169.10110.5Y62 F67 L81 I84K60-Y62 HydrophobicContact CB-CD2 4.39Å; K60-Y62 HydrophobicContact CB-CE2 3.79Å; K60-Y62 HydrophobicContact CG-CD2 4Å; K60-Y62 HydrophobicContact CG-CE2 3.33Å; K60-F67 PolarHBondContact N-O 3.01Å; K60-F67 PolarHBondContact O-N 2.98Å; K60-L81 HydrophobicContact CB-CD1 3.85Å; K60-L81 HydrophobicContact CD-CD1 4.3Å; K60-L81 HydrophobicContact CG-CD1 4.32Å; K60-I84 HydrophobicContact CB-CG2 4.23Å
61R97.8Very high97Very high109 Ų10948.2 Ų48.241%0.41123%0.234SC..EExtended strand (participates in β ladder)trans-99.5128174.7-174.1-171.7170.2-160-12.5110A63 L65 Y66R61-A63 VanDerWaalsContact CZ-O 3.28Å; R61-A63 PolarHBondContact NE-O 2.95Å; R61-A63 PolarHBondContact NH2-O 2.92Å; R61-L65 CarbonylContact C-O 3.58Å; R61-L65 WeakPolarHBondContact CA-O 3.43Å; R61-L65 WeakPolarHBondContact CG-O 3.44Å; R61-Y66 HydrophobicContact CB-CD1 3.97Å; R61-Y66 HydrophobicContact CB-CE1 3.85Å; R61-Y66 HydrophobicContact CG-CD1 4.24Å; R61-Y66 HydrophobicContact CG-CD2 4.39Å; R61-Y66 HydrophobicContact CG-CE1 3.97Å; R61-Y66 HydrophobicContact CG-CE2 4.12Å; R61-Y66 HydrophobicContact CG-CG 4.44Å
62Y97.1Very high97Very high57 Ų5741.7 Ų41.722%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-120.7115169.7-68-93.5000108.2K60 S64 L65 F67 I84 H85 V88K60-Y62 HydrophobicContact CB-CD2 4.39Å; K60-Y62 HydrophobicContact CB-CE2 3.79Å; K60-Y62 HydrophobicContact CG-CD2 4Å; K60-Y62 HydrophobicContact CG-CE2 3.33Å; Y62-S64 PolarHBondContact O-N 3.23Å; Y62-S64 VanDerWaalsContact O-N 3.1Å; Y62-L65 PolarHBondContact N-O 2.73Å; Y62-L65 PolarHBondContact O-N 2.94Å; Y62-L65 VanDerWaalsContact O-O 3.13Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.15Å; Y62-I84 HydrophobicContact CE2-CG2 3.92Å; Y62-H85 AromaticContact CE1-ND1 3.79Å; Y62-H85 AromaticContact CZ-ND1 3.79Å; Y62-H85 WeakPolarHBondContact OH-CA 3.38Å; Y62-H85 WeakPolarHBondContact OH-CB 3.18Å; Y62-H85 PolarHBondContact OH-ND1 3.08Å; Y62-H85 VanDerWaalsContact OH-ND1 3.13Å; Y62-V88 HydrophobicContact CD1-CG1 4.01Å; Y62-V88 HydrophobicContact CD1-CG2 4.43Å; Y62-V88 HydrophobicContact CD2-CG2 3.81Å; Y62-V88 HydrophobicContact CE1-CG1 4.25Å; Y62-V88 HydrophobicContact CE1-CG2 4.48Å; Y62-V88 HydrophobicContact CE2-CG2 3.87Å; Y62-V88 HydrophobicContact CG-CG1 4.29Å; Y62-V88 HydrophobicContact CG-CG2 4.11Å
63A94.8Very high97Very high88 Ų8845.6 Ų45.673%0.72723%0.227SC*.THydrogen-bonded Turntrans50.2-112.4-17400000113.7R61R61-A63 VanDerWaalsContact CZ-O 3.28Å; R61-A63 PolarHBondContact NE-O 2.95Å; R61-A63 PolarHBondContact NH2-O 2.92Å
64S94.1Very high97.1Very high43 Ų4345.8 Ų45.830%0.30123%0.234SC..THydrogen-bonded Turntrans-91.6-8.9178.159.70000114.2S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.52Å; R10-S64 PolarHBondContact N-O 2.66Å; Y62-S64 PolarHBondContact O-N 3.23Å; Y62-S64 VanDerWaalsContact O-N 3.1Å; S64-E100 WeakPolarHBondContact CB-OE2 3.22Å; S64-E100 PolarHBondContact OG-OE2 3.19Å
65L97.5Very high97.2Very high12 Ų1240 Ų406%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-101.9142.8-174.8-71.7172.8000112.3R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.87Å; R61-L65 CarbonylContact C-O 3.58Å; R61-L65 WeakPolarHBondContact CA-O 3.43Å; R61-L65 WeakPolarHBondContact CG-O 3.44Å; Y62-L65 PolarHBondContact N-O 2.73Å; Y62-L65 PolarHBondContact O-N 2.94Å; Y62-L65 VanDerWaalsContact O-O 3.13Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.84Å; L65-F67 HydrophobicContact CD1-CE2 4.45Å; L65-E100 HydrophobicContact CD1-CB 4.01Å; L65-E100 HydrophobicContact CD1-CG 4.42Å; L65-E100 HydrophobicContact CD2-CB 4.24Å; L65-E100 HydrophobicContact CD2-CG 3.84Å; L65-E100 HydrophobicContact CG-CB 4.02Å; L65-E100 HydrophobicContact CG-CG 4.19Å; L65-I103 HydrophobicContact CD1-CD1 3.68Å
66Y98.5Very high97.2Very high25 Ų2542 Ų4210%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-108.9132168.8-70.3-98.8000108.7L7 F8 R10 I39 L40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.34Å; F8-Y66 HydrophobicContact CD2-CD2 4.26Å; F8-Y66 HydrophobicContact CD2-CG 4.24Å; F8-Y66 VanDerWaalsContact CE2-CB 3.4Å; F8-Y66 HydrophobicContact CE2-CD1 4.36Å; F8-Y66 HydrophobicContact CE2-CD2 4.04Å; F8-Y66 AromaticContact CE2-CG 3.7Å; F8-Y66 HydrophobicContact CE2-CG 3.7Å; F8-Y66 HydrophobicContact CZ-CG 4.13Å; F8-Y66 PolarHBondContact N-O 3.39Å; F8-Y66 PolarHBondContact O-N 2.91Å; R10-Y66 HydrophobicContact CB-CE2 4.42Å; I39-Y66 HydrophobicContact CG2-CD1 3.73Å; I39-Y66 HydrophobicContact CG2-CE1 4.1Å; L40-Y66 HydrophobicContact CD2-CD2 3.95Å; L40-Y66 HydrophobicContact CD2-CE2 3.54Å; Y59-Y66 HydrophobicContact CD2-CD1 4.36Å; R61-Y66 HydrophobicContact CB-CD1 3.97Å; R61-Y66 HydrophobicContact CB-CE1 3.85Å; R61-Y66 HydrophobicContact CG-CD1 4.24Å; R61-Y66 HydrophobicContact CG-CD2 4.39Å; R61-Y66 HydrophobicContact CG-CE1 3.97Å; R61-Y66 HydrophobicContact CG-CE2 4.12Å; R61-Y66 HydrophobicContact CG-CG 4.44Å
67F98.7Very high97.2Very high6 Ų642.9 Ų42.93%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-109.3131.4172.3-68-109.3000107M5 L7 Y59 K60 Y62 L65 I84 Y87 V88 L91M5-F67 HydrophobicContact CE-CD1 3.79Å; L7-F67 HydrophobicContact CD1-CD1 3.73Å; L7-F67 HydrophobicContact CD1-CE1 4.02Å; L7-F67 HydrophobicContact CD1-CG 4.49Å; L7-F67 HydrophobicContact CD2-CD1 4.04Å; L7-F67 HydrophobicContact CD2-CE1 3.47Å; L7-F67 VanDerWaalsContact CD2-CE1 3.47Å; L7-F67 HydrophobicContact CD2-CZ 3.86Å; L7-F67 HydrophobicContact CG-CD1 3.63Å; L7-F67 HydrophobicContact CG-CE1 3.61Å; L7-F67 HydrophobicContact CG-CG 4.19Å; L7-F67 HydrophobicContact CG-CZ 4.13Å; Y59-F67 CarbonylContact C-O 3.57Å; Y59-F67 WeakPolarHBondContact CA-O 3.46Å; Y59-F67 WeakPolarHBondContact CB-O 3.48Å; K60-F67 PolarHBondContact N-O 3.01Å; K60-F67 PolarHBondContact O-N 2.98Å; Y62-F67 AromaticContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CD2 3.85Å; Y62-F67 HydrophobicContact CD2-CE2 4.15Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.84Å; L65-F67 HydrophobicContact CD1-CE2 4.45Å; F67-I84 HydrophobicContact CB-CD1 4.48Å; F67-I84 HydrophobicContact CB-CG1 4.49Å; F67-I84 HydrophobicContact CB-CG2 3.46Å; F67-I84 VanDerWaalsContact CB-CG2 3.46Å; F67-I84 HydrophobicContact CD1-CG2 4.25Å; F67-I84 HydrophobicContact CG-CG2 3.95Å; F67-Y87 HydrophobicContact CD1-CD1 4.19Å; F67-Y87 AromaticContact CE1-CD1 3.83Å; F67-Y87 HydrophobicContact CE1-CD1 3.83Å; F67-Y87 HydrophobicContact CE1-CE1 4.03Å; F67-V88 HydrophobicContact CD1-CG2 4.21Å; F67-V88 HydrophobicContact CD2-CG2 4.32Å; F67-V88 HydrophobicContact CE1-CG2 3.75Å; F67-V88 HydrophobicContact CE2-CG2 3.9Å; F67-V88 HydrophobicContact CG-CG2 4.49Å; F67-V88 HydrophobicContact CZ-CG2 3.6Å; F67-L91 HydrophobicContact CE1-CD1 4.28Å; F67-L91 HydrophobicContact CZ-CD1 4.4Å
68C98.5Very high97.2Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-140.9122.6-172.6171.80000109.4M5 L6 F8 I39 I57 V58M5-C68 CarbonylContact C-O 3.58Å; M5-C68 WeakPolarHBondContact CA-O 3.25Å; L6-C68 HydrophobicContact CB-CB 4.34Å; L6-C68 PolarHBondContact N-O 2.81Å; L6-C68 PolarHBondContact O-N 3.47Å; F8-C68 HydrophobicContact CE1-CB 3.85Å; I39-C68 HydrophobicContact CD1-CB 3.96Å; I39-C68 WeakPolarHBondContact CD1-SG 3.43Å; I57-C68 WeakPolarHBondContact CG2-SG 3.24Å; V58-C68 CarbonylContact O-C 3.49Å; V58-C68 WeakPolarHBondContact O-CA 3.32Å
69C98.6Very high97.2Very high0 Ų053 Ų530%027%0.271CS..EExtended strand (participates in β ladder)trans-116142.4173.5-60.10000109.4M2 F4 I57 V58 T80 I84M2-C69 HydrophobicContact CE-CB 3.98Å; M2-C69 HydrophobicContact CG-CB 4.3Å; M2-C69 HydrophobicContact SD-CB 3.97Å; F4-C69 WeakPolarHBondContact O-CA 3.28Å; I57-C69 CarbonylContact C-O 3.53Å; I57-C69 WeakPolarHBondContact CA-O 3.24Å; V58-C69 PolarHBondContact N-O 2.64Å; V58-C69 PolarHBondContact O-N 2.88Å; C69-T80 HydrophobicContact CB-CG2 3.69Å; C69-I84 HydrophobicContact CB-CD1 4.49Å
70A98.4Very high97.2Very high0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-105.7127.916600000109.2M2 Q3 F4 L55 K56 I57M2-A70 CarbonylContact C-O 3.58Å; M2-A70 WeakPolarHBondContact CA-O 3.48Å; M2-A70 WeakPolarHBondContact CG-O 3.47Å; Q3-A70 HydrophobicContact CB-CB 4.3Å; Q3-A70 PolarHBondContact N-O 3.45Å; F4-A70 HydrophobicContact CD1-CB 3.9Å; F4-A70 HydrophobicContact CD2-CB 4.05Å; F4-A70 HydrophobicContact CE1-CB 3.41Å; F4-A70 VanDerWaalsContact CE1-CB 3.41Å; F4-A70 HydrophobicContact CE2-CB 3.59Å; F4-A70 HydrophobicContact CG-CB 4.2Å; F4-A70 HydrophobicContact CZ-CB 3.24Å; F4-A70 PolarHBondContact O-N 2.88Å; L55-A70 HydrophobicContact CD1-CB 4.21Å; K56-A70 WeakPolarHBondContact O-CA 3.36Å; I57-A70 HydrophobicContact CD1-CB 3.55Å
71V98.1Very high97.2Very high3 Ų350.3 Ų50.32%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-129.4161.4-177.1-59.80000110M2 K56 V58 D75 T80M2-V71 HydrophobicContact CB-CG1 4.21Å; M2-V71 HydrophobicContact CG-CG1 4.2Å; K56-V71 HydrophobicContact CB-CG2 3.91Å; K56-V71 PolarHBondContact N-O 3.27Å; K56-V71 PolarHBondContact O-N 2.83Å; V58-V71 HydrophobicContact CG2-CG2 4.21Å; V71-D75 HydrophobicContact CB-CB 3.93Å; V71-D75 HydrophobicContact CG2-CB 4.08Å; V71-T80 HydrophobicContact CG1-CG2 3.68Å
72E97.1Very high97.2Very high44 Ų4450.6 Ų50.621%0.20627%0.268CS..  trans-77.9163.3-179.1-67.9167.2171.500111M1 Q3 L55 Q74 D75M1-E72 PolarHBondContact N-OE2 2.86Å; Q3-E72 PolarHBondContact NE2-OE1 2.95Å; L55-E72 HydrophobicContact CD2-CG 4.31Å; E72-Q74 PolarHBondContact O-N 2.86Å; E72-Q74 PolarHBondContact OE2-NE2 3.49Å; E72-D75 PolarHBondContact N-OD2 2.67Å; E72-D75 WeakPolarHBondContact O-CB 3.38Å; E72-D75 PolarHBondContact O-N 2.98Å
73D94Very high97.2Very high110 Ų11049.2 Ų49.259%0.58826%0.264SS*.THydrogen-bonded Turntrans-60.9-33.1-173.1-173.751.8000113.1K56 D75K56-D73 WeakPolarHBondContact CE-O 3.29Å; K56-D73 WeakPolarHBondContact CE-OD1 3.03Å; K56-D73 PolarHBondContact NZ-O 3.25Å; K56-D73 IonicContact NZ-OD1 2.86Å; D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 3.41Å
74Q94.9Very high97.4Very high142 Ų14245 Ų4566%0.66423%0.229SC*.THydrogen-bonded Turntrans-77.7-10.6178.272.5-81.8900114.7E72E72-Q74 PolarHBondContact O-N 2.86Å; E72-Q74 PolarHBondContact OE2-NE2 3.49Å
75D95.7Very high97.6Very high34 Ų3446.2 Ų46.218%0.18223%0.23CC..SBendtrans-79.4150.2-178.7-64.8-40.8000111.8M1 V71 E72 D73M1-D75 WeakPolarHBondContact CA-OD2 3.46Å; M1-D75 PolarHBondContact N-OD1 2.94Å; M1-D75 PolarHBondContact N-OD2 3.08Å; V71-D75 HydrophobicContact CB-CB 3.93Å; V71-D75 HydrophobicContact CG2-CB 4.08Å; E72-D75 PolarHBondContact N-OD2 2.67Å; E72-D75 WeakPolarHBondContact O-CB 3.38Å; E72-D75 PolarHBondContact O-N 2.98Å; D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 3.41Å
76N96.8Very high97.7Very high77 Ų7748.8 Ų48.841%0.41224%0.239SC..  trans-85.3116.9179.3-173.7-53.2000111.4L78 I79 T80N76-L78 VanDerWaalsContact C-N 3.31Å; N76-L78 PolarHBondContact O-N 3.11Å; N76-L78 WeakPolarHBondContact OD1-CA 3.42Å; N76-L78 WeakPolarHBondContact OD1-CB 3.36Å; N76-L78 PolarHBondContact OD1-N 2.93Å; N76-I79 HydrophobicContact CB-CB 4.15Å; N76-I79 HydrophobicContact CB-CD1 3.88Å; N76-I79 HydrophobicContact CB-CG1 3.97Å; N76-I79 PolarHBondContact O-N 3.39Å; N76-I79 PolarHBondContact OD1-N 3.19Å; N76-I79 VanDerWaalsContact OD1-N 3.11Å; N76-T80 PolarHBondContact O-N 3.23Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 2.97Å; N76-T80 VanDerWaalsContact O-OG1 3.13Å
77E97.8Very high97.7Very high50 Ų5047.6 Ų47.623%0.23423%0.234CC..Hα-helixtrans-66.8-31.1-175.3-52.788.8156.700112.8F49 K56 V58 T80 L81F49-E77 HydrophobicContact CD1-CB 3.63Å; F49-E77 HydrophobicContact CD1-CG 4.31Å; F49-E77 HydrophobicContact CD2-CB 4.24Å; F49-E77 HydrophobicContact CE1-CB 3.63Å; F49-E77 HydrophobicContact CE2-CB 4.26Å; F49-E77 HydrophobicContact CG-CB 3.97Å; F49-E77 HydrophobicContact CG-CG 4.31Å; F49-E77 HydrophobicContact CZ-CB 3.98Å; K56-E77 HydrophobicContact CD-CG 3.96Å; K56-E77 WeakPolarHBondContact CD-OE1 3.19Å; K56-E77 VanDerWaalsContact CE-OE1 3.22Å; K56-E77 WeakPolarHBondContact CE-OE1 3.13Å; K56-E77 IonicContact NZ-OE1 2.75Å; K56-E77 PolarHBondContact NZ-OE1 3.08Å; V58-E77 HydrophobicContact CG2-CB 3.9Å; V58-E77 HydrophobicContact CG2-CG 4.26Å; E77-T80 PolarHBondContact O-N 2.98Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 3.34Å
78L98.3Very high97.7Very high110 Ų11048.3 Ų48.358%0.57624%0.239SC*.Hα-helixtrans-70.4-39.7177-59.3176.4000111.1F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.2Å; F49-L78 HydrophobicContact CZ-CD2 3.82Å; N76-L78 VanDerWaalsContact C-N 3.31Å; N76-L78 PolarHBondContact O-N 3.11Å; N76-L78 WeakPolarHBondContact OD1-CA 3.42Å; N76-L78 WeakPolarHBondContact OD1-CB 3.36Å; N76-L78 PolarHBondContact OD1-N 2.93Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-L81 WeakPolarHBondContact O-CB 3.46Å; L78-L81 PolarHBondContact O-N 3.45Å; L78-E82 PolarHBondContact O-N 3.45Å
79I97.6Very high97.6Very high105 Ų10551.2 Ų51.254%0.53825%0.252SS..Hα-helixtrans-64.7-41.7174.5-63.5179.4000109.9N76 L81 E82 I83N76-I79 HydrophobicContact CB-CB 4.15Å; N76-I79 HydrophobicContact CB-CD1 3.88Å; N76-I79 HydrophobicContact CB-CG1 3.97Å; N76-I79 PolarHBondContact O-N 3.39Å; N76-I79 PolarHBondContact OD1-N 3.19Å; N76-I79 VanDerWaalsContact OD1-N 3.11Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 2.87Å; I79-E82 WeakPolarHBondContact O-CB 3.2Å; I79-E82 PolarHBondContact O-N 3.46Å; I79-I83 HydrophobicContact CG2-CD1 4.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.22Å; I79-I83 PolarHBondContact O-N 3.37Å
80T98.3Very high97.6Very high7 Ų751.2 Ų51.24%0.04325%0.252CS..Hα-helixtrans-61.6-37.7174-48.60000112.2M2 V58 C69 V71 N76 E77 L78 E82 I83 I84M2-T80 HydrophobicContact CE-CG2 4.27Å; V58-T80 HydrophobicContact CB-CG2 3.8Å; V58-T80 HydrophobicContact CG1-CG2 4.11Å; V58-T80 HydrophobicContact CG2-CG2 3.94Å; C69-T80 HydrophobicContact CB-CG2 3.69Å; V71-T80 HydrophobicContact CG1-CG2 3.68Å; N76-T80 PolarHBondContact O-N 3.23Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 2.97Å; N76-T80 VanDerWaalsContact O-OG1 3.13Å; E77-T80 PolarHBondContact O-N 2.98Å; L78-T80 VanDerWaalsContact C-N 3.34Å; T80-E82 VanDerWaalsContact C-N 3.33Å; T80-I83 WeakPolarHBondContact O-CB 3.32Å; T80-I83 PolarHBondContact O-N 2.97Å; T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 3.26Å
81L98.3Very high97.6Very high34 Ų3451.3 Ų51.318%0.17825%0.253CS..Hα-helixtrans-64.9-38.9175.8-166.566.3000111.7F49 V58 K60 E77 L78 I79 I84 H85F49-L81 HydrophobicContact CE1-CD2 4.47Å; F49-L81 HydrophobicContact CZ-CD2 4.38Å; V58-L81 HydrophobicContact CG1-CB 4.08Å; V58-L81 HydrophobicContact CG1-CD1 3.98Å; K60-L81 HydrophobicContact CB-CD1 3.85Å; K60-L81 HydrophobicContact CD-CD1 4.3Å; K60-L81 HydrophobicContact CG-CD1 4.32Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 3.34Å; L78-L81 WeakPolarHBondContact O-CB 3.46Å; L78-L81 PolarHBondContact O-N 3.45Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 2.87Å; L81-I84 PolarHBondContact O-N 3.22Å; L81-H85 PolarHBondContact O-N 2.79Å
82E98.1Very high97.6Very high116 Ų11654.7 Ų54.754%0.54227%0.271SS..Hα-helixtrans-66.6-36.5172.2-75.3-59.2139.400112.4L78 I79 T80 I84 H85 R86L78-E82 PolarHBondContact O-N 3.45Å; I79-E82 WeakPolarHBondContact O-CB 3.2Å; I79-E82 PolarHBondContact O-N 3.46Å; T80-E82 VanDerWaalsContact C-N 3.33Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.48Å; E82-H85 PolarHBondContact O-N 3.23Å; E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.33Å
83I98.3Very high97.6Very high28 Ų2859.9 Ų59.914%0.14429%0.293CS..Hα-helixtrans-60-46172.2-73.6169.7000110.5M2 I79 T80 H85 R86 Y87 F117 L118M2-I83 HydrophobicContact CE-CG2 4.1Å; I79-I83 HydrophobicContact CG2-CD1 4.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.22Å; I79-I83 PolarHBondContact O-N 3.37Å; T80-I83 WeakPolarHBondContact O-CB 3.32Å; T80-I83 PolarHBondContact O-N 2.97Å; I83-H85 VanDerWaalsContact C-N 3.33Å; I83-H85 PolarHBondContact O-N 3.27Å; I83-R86 PolarHBondContact O-N 3.49Å; I83-Y87 PolarHBondContact O-N 3.41Å; I83-F117 HydrophobicContact CB-CZ 4.38Å; I83-F117 HydrophobicContact CG1-CZ 4.4Å; I83-F117 HydrophobicContact CG2-CE1 3.76Å; I83-F117 HydrophobicContact CG2-CZ 3.96Å; I83-F117 WeakPolarHBondContact O-CE1 3.44Å; I83-L118 HydrophobicContact CG2-CD1 3.94Å; I83-L118 HydrophobicContact CG2-CD2 3.95Å; I83-L118 HydrophobicContact CG2-CG 4.49Å
84I98.5Very high97.8Very high0 Ų057.8 Ų57.80%028%0.277CS..Hα-helixtrans-58.7-48.2174.8-69.6170.8000110.1M5 V58 K60 Y62 F67 C69 T80 L81 E82 R86 Y87 V88M5-I84 HydrophobicContact CE-CG1 4.47Å; V58-I84 HydrophobicContact CG1-CD1 4.12Å; K60-I84 HydrophobicContact CB-CG2 4.23Å; Y62-I84 HydrophobicContact CE2-CG2 3.92Å; F67-I84 HydrophobicContact CB-CD1 4.48Å; F67-I84 HydrophobicContact CB-CG1 4.49Å; F67-I84 HydrophobicContact CB-CG2 3.46Å; F67-I84 VanDerWaalsContact CB-CG2 3.46Å; F67-I84 HydrophobicContact CD1-CG2 4.25Å; F67-I84 HydrophobicContact CG-CG2 3.95Å; C69-I84 HydrophobicContact CB-CD1 4.49Å; T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 3.26Å; L81-I84 PolarHBondContact O-N 3.22Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.48Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.4Å; I84-Y87 PolarHBondContact O-N 2.98Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.48Å; I84-V88 VanDerWaalsContact O-N 3.1Å
85H98.3Very high97.9Very high67 Ų6753.2 Ų53.231%0.3126%0.255SS..Hα-helixtrans-62-43.9-178.8-172.335.2000111.7Y62 L81 E82 I83 Y87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.79Å; Y62-H85 AromaticContact CZ-ND1 3.79Å; Y62-H85 WeakPolarHBondContact OH-CA 3.38Å; Y62-H85 WeakPolarHBondContact OH-CB 3.18Å; Y62-H85 PolarHBondContact OH-ND1 3.08Å; Y62-H85 VanDerWaalsContact OH-ND1 3.13Å; L81-H85 PolarHBondContact O-N 2.79Å; E82-H85 PolarHBondContact O-N 3.23Å; I83-H85 VanDerWaalsContact C-N 3.33Å; I83-H85 PolarHBondContact O-N 3.27Å; H85-Y87 VanDerWaalsContact C-N 3.32Å; H85-Y87 PolarHBondContact O-N 3.32Å; H85-V88 WeakPolarHBondContact O-CB 3.46Å; H85-V88 PolarHBondContact O-N 2.79Å; H85-V88 VanDerWaalsContact O-N 3.12Å; H85-E89 WeakPolarHBondContact O-CG 3.43Å; H85-E89 PolarHBondContact O-N 2.76Å
86R98.4Very high97.8Very high67 Ų6754 Ų5425%0.25327%0.272SS..Hα-helixtrans-58.1-43.8176.717855.960.777.25.1112.1E82 I83 I84 V88 E89 L90 F117 T126E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.33Å; I83-R86 PolarHBondContact O-N 3.49Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.4Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 2.96Å; R86-E89 IonicContact NE-OE2 2.64Å; R86-E89 PolarHBondContact NE-OE2 2.96Å; R86-E89 PolarHBondContact O-N 3.5Å; R86-L90 HydrophobicContact CG-CD1 4.36Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 2.88Å; R86-F117 HydrophobicContact CB-CE1 4.28Å; R86-F117 HydrophobicContact CB-CZ 3.83Å; R86-F117 HydrophobicContact CG-CD2 4.47Å; R86-F117 HydrophobicContact CG-CE1 4.13Å; R86-F117 HydrophobicContact CG-CE2 3.71Å; R86-F117 HydrophobicContact CG-CZ 3.52Å; R86-T126 PolarHBondContact NH1-O 3.03Å
87Y98.6Very high97.6Very high0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-63.3-39.5176.6-178.5-125.2000111.9M5 L7 L16 F67 I83 I84 H85 E89 L90 L91 A110 I113 L114 F117M5-Y87 HydrophobicContact CE-CD1 3.48Å; M5-Y87 VanDerWaalsContact CE-CD1 3.48Å; M5-Y87 HydrophobicContact CE-CE1 4.03Å; M5-Y87 HydrophobicContact CE-CG 4.3Å; M5-Y87 HydrophobicContact SD-CD1 4.41Å; L7-Y87 HydrophobicContact CD1-CE1 4.38Å; L7-Y87 HydrophobicContact CD2-CE1 4.19Å; L16-Y87 WeakPolarHBondContact CD1-OH 3.48Å; F67-Y87 HydrophobicContact CD1-CD1 4.19Å; F67-Y87 AromaticContact CE1-CD1 3.83Å; F67-Y87 HydrophobicContact CE1-CD1 3.83Å; F67-Y87 HydrophobicContact CE1-CE1 4.03Å; I83-Y87 PolarHBondContact O-N 3.41Å; I84-Y87 PolarHBondContact O-N 2.98Å; H85-Y87 VanDerWaalsContact C-N 3.32Å; H85-Y87 PolarHBondContact O-N 3.32Å; Y87-E89 VanDerWaalsContact C-N 3.35Å; Y87-E89 PolarHBondContact O-N 3.02Å; Y87-L90 PolarHBondContact O-N 3.05Å; Y87-L91 HydrophobicContact CD1-CD1 3.98Å; Y87-L91 HydrophobicContact CD2-CG 4.38Å; Y87-L91 HydrophobicContact CE1-CD1 3.63Å; Y87-L91 HydrophobicContact CE1-CG 4.34Å; Y87-L91 HydrophobicContact CE2-CD1 4.21Å; Y87-L91 HydrophobicContact CE2-CD2 4.12Å; Y87-L91 HydrophobicContact CE2-CG 4Å; Y87-L91 HydrophobicContact CG-CD1 4.44Å; Y87-L91 WeakPolarHBondContact O-CG 3.48Å; Y87-L91 PolarHBondContact O-N 2.86Å; Y87-A110 PolarHBondContact OH-O 3.44Å; Y87-I113 HydrophobicContact CD2-CG2 4.36Å; Y87-I113 HydrophobicContact CE2-CB 4.39Å; Y87-I113 HydrophobicContact CE2-CG2 4Å; Y87-L114 HydrophobicContact CD1-CD1 4.35Å; Y87-L114 HydrophobicContact CD2-CB 4.5Å; Y87-L114 HydrophobicContact CD2-CD1 3.94Å; Y87-L114 HydrophobicContact CE1-CD1 4.25Å; Y87-L114 HydrophobicContact CE2-CB 3.69Å; Y87-L114 HydrophobicContact CE2-CD1 3.87Å; Y87-L114 HydrophobicContact CE2-CG 4.37Å; Y87-L114 HydrophobicContact CG-CD1 4.19Å; Y87-F117 HydrophobicContact CD2-CD1 4.29Å
88V98.3Very high97.6Very high21 Ų2154.6 Ų54.613%0.12729%0.286CS..Hα-helixtrans-62.1-41.5173.2175.10000111.6Y62 F67 I84 H85 R86 L90 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4.01Å; Y62-V88 HydrophobicContact CD1-CG2 4.43Å; Y62-V88 HydrophobicContact CD2-CG2 3.81Å; Y62-V88 HydrophobicContact CE1-CG1 4.25Å; Y62-V88 HydrophobicContact CE1-CG2 4.48Å; Y62-V88 HydrophobicContact CE2-CG2 3.87Å; Y62-V88 HydrophobicContact CG-CG1 4.29Å; Y62-V88 HydrophobicContact CG-CG2 4.11Å; F67-V88 HydrophobicContact CD1-CG2 4.21Å; F67-V88 HydrophobicContact CD2-CG2 4.32Å; F67-V88 HydrophobicContact CE1-CG2 3.75Å; F67-V88 HydrophobicContact CE2-CG2 3.9Å; F67-V88 HydrophobicContact CG-CG2 4.49Å; F67-V88 HydrophobicContact CZ-CG2 3.6Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.48Å; I84-V88 VanDerWaalsContact O-N 3.1Å; H85-V88 WeakPolarHBondContact O-CB 3.46Å; H85-V88 PolarHBondContact O-N 2.79Å; H85-V88 VanDerWaalsContact O-N 3.12Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 2.96Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 2.9Å; V88-L91 PolarHBondContact O-N 2.85Å; V88-D92 WeakPolarHBondContact O-CB 3.32Å; V88-D92 PolarHBondContact O-N 2.77Å
89E98.2Very high97.5Very high60 Ų6052.2 Ų52.228%0.2828%0.277SS..Hα-helixtrans-64.7-36.8176-65.3-174.711400112.8H85 R86 Y87 D92 K93 K128H85-E89 WeakPolarHBondContact O-CG 3.43Å; H85-E89 PolarHBondContact O-N 2.76Å; R86-E89 IonicContact NE-OE2 2.64Å; R86-E89 PolarHBondContact NE-OE2 2.96Å; R86-E89 PolarHBondContact O-N 3.5Å; Y87-E89 VanDerWaalsContact C-N 3.35Å; Y87-E89 PolarHBondContact O-N 3.02Å; E89-D92 PolarHBondContact O-N 3.04Å; E89-K93 VanDerWaalsContact O-CB 3.29Å; E89-K93 WeakPolarHBondContact O-CB 3.36Å; E89-K93 PolarHBondContact O-N 3.34Å; E89-K128 HydrophobicContact CB-CD 3.98Å; E89-K128 IonicContact OE1-NZ 3.45Å; E89-K128 PolarHBondContact OE1-NZ 3.21Å; E89-K128 WeakPolarHBondContact OE2-CD 3.41Å; E89-K128 WeakPolarHBondContact OE2-CE 3.18Å; E89-K128 IonicContact OE2-NZ 2.67Å; E89-K128 PolarHBondContact OE2-NZ 3.12Å
90L98.4Very high97.4Very high1 Ų148.7 Ų48.71%0.00526%0.258CS..Hα-helixtrans-64.4-47.7175.3-72.6168.6000111R86 Y87 V88 D92 K93 Y94 I113 F117 K128 V131 L132R86-L90 HydrophobicContact CG-CD1 4.36Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 2.88Å; Y87-L90 PolarHBondContact O-N 3.05Å; V88-L90 VanDerWaalsContact C-N 3.34Å; V88-L90 PolarHBondContact O-N 2.9Å; L90-D92 VanDerWaalsContact C-N 3.35Å; L90-D92 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 2.8Å; L90-Y94 WeakPolarHBondContact O-CB 3.38Å; L90-Y94 PolarHBondContact O-N 3.02Å; L90-I113 HydrophobicContact CB-CG2 3.82Å; L90-I113 HydrophobicContact CD1-CG2 4.45Å; L90-F117 HydrophobicContact CD1-CB 3.87Å; L90-F117 HydrophobicContact CD1-CD1 4.06Å; L90-F117 HydrophobicContact CD1-CD2 4.12Å; L90-F117 HydrophobicContact CD1-CG 3.74Å; L90-K128 HydrophobicContact CD2-CB 4.17Å; L90-K128 HydrophobicContact CD2-CG 4.09Å; L90-V131 HydrophobicContact CD1-CB 4.45Å; L90-V131 HydrophobicContact CD1-CG1 3.97Å; L90-V131 HydrophobicContact CD2-CB 3.86Å; L90-V131 HydrophobicContact CD2-CG1 3.84Å; L90-L132 HydrophobicContact CD2-CD1 4.37Å; L90-L132 HydrophobicContact CD2-CD2 4.27Å; L90-L132 HydrophobicContact CD2-CG 3.91Å
91L98.3Very high97.4Very high1 Ų153.2 Ų53.21%0.00528%0.282CS..Hα-helixtrans-59.1-46.3175-69.5170.5000111.3F67 Y87 V88 K93 Y94 F95 V98 I103 A110 I113F67-L91 HydrophobicContact CE1-CD1 4.28Å; F67-L91 HydrophobicContact CZ-CD1 4.4Å; Y87-L91 HydrophobicContact CD1-CD1 3.98Å; Y87-L91 HydrophobicContact CD2-CG 4.38Å; Y87-L91 HydrophobicContact CE1-CD1 3.63Å; Y87-L91 HydrophobicContact CE1-CG 4.34Å; Y87-L91 HydrophobicContact CE2-CD1 4.21Å; Y87-L91 HydrophobicContact CE2-CD2 4.12Å; Y87-L91 HydrophobicContact CE2-CG 4Å; Y87-L91 HydrophobicContact CG-CD1 4.44Å; Y87-L91 WeakPolarHBondContact O-CG 3.48Å; Y87-L91 PolarHBondContact O-N 2.86Å; V88-L91 PolarHBondContact O-N 2.85Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.27Å; L91-Y94 PolarHBondContact O-N 2.99Å; L91-F95 HydrophobicContact CB-CD2 4.47Å; L91-F95 HydrophobicContact CD2-CD2 4.34Å; L91-F95 HydrophobicContact CD2-CE2 3.85Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.94Å; L91-V98 HydrophobicContact CB-CB 4.5Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.23Å; L91-I103 HydrophobicContact CD1-CD1 4.1Å; L91-A110 HydrophobicContact CD2-CB 4.09Å; L91-I113 HydrophobicContact CD2-CD1 4.05Å
92D97.8Very high97.3Very high75 Ų7553.8 Ų53.840%0.40129%0.285SS..Hα-helixtrans-62-40.5179.5-172.564.5000112.5V88 E89 L90 G96 S97 V98V88-D92 WeakPolarHBondContact O-CB 3.32Å; V88-D92 PolarHBondContact O-N 2.77Å; E89-D92 PolarHBondContact O-N 3.04Å; L90-D92 VanDerWaalsContact C-N 3.35Å; L90-D92 PolarHBondContact O-N 2.85Å; D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.36Å; D92-G96 PolarHBondContact O-N 3.24Å; D92-S97 PolarHBondContact O-N 3.17Å; D92-S97 WeakPolarHBondContact OD1-CA 3.32Å; D92-S97 PolarHBondContact OD1-N 2.75Å; D92-V98 HydrophobicContact CB-CG1 3.83Å; D92-V98 PolarHBondContact OD1-N 3.13Å
93K97.6Very high97.3Very high152 Ų15248.4 Ų48.466%0.66126%0.26SS*.Hα-helixtrans-72.1-33.8179.2-172.156.4175.3174.10112.8E89 L90 L91 L132E89-K93 VanDerWaalsContact O-CB 3.29Å; E89-K93 WeakPolarHBondContact O-CB 3.36Å; E89-K93 PolarHBondContact O-N 3.34Å; L90-K93 PolarHBondContact O-N 2.8Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.27Å; K93-L132 HydrophobicContact CB-CD1 3.86Å; K93-L132 HydrophobicContact CB-CD2 4.26Å; K93-L132 HydrophobicContact CG-CD1 3.32Å; K93-L132 HydrophobicContact CG-CD2 4.29Å; K93-L132 HydrophobicContact CG-CG 4.45Å
94Y97.7Very high97.2Very high67 Ų6749.8 Ų49.826%0.26327%0.267SS..Hα-helixtrans-73.4-52.2177.2-178.7-96.1000112L90 L91 K109 I113 I135 D139L90-Y94 WeakPolarHBondContact O-CB 3.38Å; L90-Y94 PolarHBondContact O-N 3.02Å; L91-Y94 PolarHBondContact O-N 2.99Å; Y94-K109 HydrophobicContact CE1-CB 4.02Å; Y94-K109 HydrophobicContact CE1-CG 4.41Å; Y94-I113 HydrophobicContact CD1-CD1 3.58Å; Y94-I113 HydrophobicContact CD2-CD1 4.13Å; Y94-I113 HydrophobicContact CE1-CD1 4.14Å; Y94-I113 HydrophobicContact CG-CD1 3.56Å; Y94-I113 HydrophobicContact CG-CG1 4.46Å; Y94-I135 HydrophobicContact CD2-CG2 3.84Å; Y94-I135 HydrophobicContact CE2-CG2 3.44Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.44Å; Y94-D139 VanDerWaalsContact CE2-OD2 3.28Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.31Å; Y94-D139 PolarHBondContact OH-OD2 3Å
95F96.7Very high97.2Very high45 Ų4556.8 Ų56.820%0.19730%0.298CS..Hα-helixtrans-80.8-22-177-70.2-69000113.8L91 V98 D102 N106 K109 I113L91-F95 HydrophobicContact CB-CD2 4.47Å; L91-F95 HydrophobicContact CD2-CD2 4.34Å; L91-F95 HydrophobicContact CD2-CE2 3.85Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.94Å; F95-V98 HydrophobicContact CB-CB 4.07Å; F95-V98 HydrophobicContact CB-CG2 4.15Å; F95-V98 HydrophobicContact CD2-CB 4.36Å; F95-V98 HydrophobicContact CD2-CG2 3.71Å; F95-V98 HydrophobicContact CG-CG2 4.21Å; F95-D102 HydrophobicContact CB-CB 4.4Å; F95-D102 HydrophobicContact CD1-CB 3.85Å; F95-D102 HydrophobicContact CD2-CB 4.41Å; F95-D102 HydrophobicContact CE1-CB 4.21Å; F95-D102 HydrophobicContact CG-CB 3.96Å; F95-N106 HydrophobicContact CE1-CB 3.76Å; F95-N106 HydrophobicContact CZ-CB 3.95Å; F95-K109 HydrophobicContact CZ-CB 4.23Å; F95-I113 HydrophobicContact CE2-CD1 4.4Å
96G94.4Very high97.1Very high52 Ų5256.4 Ų56.454%0.53630%0.298SS..THydrogen-bonded Turntrans72.983.7-177.700000112.6D92D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.36Å; D92-G96 PolarHBondContact O-N 3.24Å
97S92.7Very high97Very high102 Ų10258.5 Ų58.571%0.71331%0.309SS*.SBendtrans71.163.3-170-48.90000112.4D92D92-S97 PolarHBondContact O-N 3.17Å; D92-S97 WeakPolarHBondContact OD1-CA 3.32Å; D92-S97 PolarHBondContact OD1-N 2.75Å
98V96.5Very high96.9Very high37 Ų3761.5 Ų61.522%0.22432%0.323CS..  trans-60.2137.3-171.565.70000112.6L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CB 4.5Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.23Å; D92-V98 HydrophobicContact CB-CG1 3.83Å; D92-V98 PolarHBondContact OD1-N 3.13Å; F95-V98 HydrophobicContact CB-CB 4.07Å; F95-V98 HydrophobicContact CB-CG2 4.15Å; F95-V98 HydrophobicContact CD2-CB 4.36Å; F95-V98 HydrophobicContact CD2-CG2 3.71Å; F95-V98 HydrophobicContact CG-CG2 4.21Å; V98-D102 HydrophobicContact CG2-CB 4.35Å; V98-I103 HydrophobicContact CG2-CD1 4.49Å; V98-I103 HydrophobicContact CG2-CG1 4.27Å
99C95.8Very high96.8Very high59 Ų5961.9 Ų61.940%0.39932%0.323SS..  trans-124.8170.2170.779.60000112.3L101 D102C99-L101 PolarHBondContact O-N 3.34Å; C99-D102 PolarHBondContact N-OD2 2.95Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 VanDerWaalsContact SG-CG 3.57Å; C99-D102 PolarHBondContact SG-OD2 3.22Å
100E96.6Very high96.8Very high31 Ų3159 Ų5915%0.14531%0.31CS..Hα-helixtrans-60.5-32179172.5173.7-178.100112.8S9 R15 S64 L65 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.27Å; R15-E100 IonicContact CZ-OE1 2.76Å; R15-E100 VanDerWaalsContact CZ-OE1 3.23Å; R15-E100 IonicContact NE-OE1 3.8Å; R15-E100 PolarHBondContact NE-OE1 2.98Å; R15-E100 IonicContact NH2-OE1 3.56Å; R15-E100 PolarHBondContact NH2-OE1 3.1Å; S64-E100 WeakPolarHBondContact CB-OE2 3.22Å; S64-E100 PolarHBondContact OG-OE2 3.19Å; L65-E100 HydrophobicContact CD1-CB 4.01Å; L65-E100 HydrophobicContact CD1-CG 4.42Å; L65-E100 HydrophobicContact CD2-CB 4.24Å; L65-E100 HydrophobicContact CD2-CG 3.84Å; L65-E100 HydrophobicContact CG-CB 4.02Å; L65-E100 HydrophobicContact CG-CG 4.19Å; E100-I103 PolarHBondContact O-N 3Å; E100-I104 HydrophobicContact CG-CD1 3.79Å; E100-I104 HydrophobicContact CG-CG1 4.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.5Å; E100-I104 VanDerWaalsContact O-CG1 3.29Å; E100-I104 WeakPolarHBondContact O-CG1 3.28Å; E100-I104 PolarHBondContact O-N 3.1Å; E100-I104 VanDerWaalsContact O-N 3.11Å
101L96.9Very high96.8Very high102 Ų10261.7 Ų61.753%0.53432%0.32SS..Hα-helixtrans-67.1-37.4178.7-69.1174.5000111.6C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.34Å; L101-I103 VanDerWaalsContact C-N 3.27Å; L101-I103 PolarHBondContact O-N 3.45Å; L101-I104 HydrophobicContact CD2-CD1 4.23Å; L101-I104 WeakPolarHBondContact O-CB 3.29Å; L101-I104 PolarHBondContact O-N 3.29Å; L101-F105 HydrophobicContact CB-CD2 4.2Å; L101-F105 HydrophobicContact CB-CE2 4.25Å; L101-F105 HydrophobicContact CD2-CE2 4.13Å; L101-F105 WeakPolarHBondContact O-CD2 3.27Å; L101-F105 PolarHBondContact O-N 3.5Å
102D97.6Very high96.8Very high46 Ų4666.1 Ų66.125%0.24634%0.34CS..Hα-helixtrans-60.1-41.2178.5-55.3-40.4000111.1F95 V98 C99 N106F95-D102 HydrophobicContact CB-CB 4.4Å; F95-D102 HydrophobicContact CD1-CB 3.85Å; F95-D102 HydrophobicContact CD2-CB 4.41Å; F95-D102 HydrophobicContact CE1-CB 4.21Å; F95-D102 HydrophobicContact CG-CB 3.96Å; V98-D102 HydrophobicContact CG2-CB 4.35Å; C99-D102 PolarHBondContact N-OD2 2.95Å; C99-D102 PolarHBondContact O-N 3.26Å; C99-D102 VanDerWaalsContact SG-CG 3.57Å; C99-D102 PolarHBondContact SG-OD2 3.22Å; D102-N106 WeakPolarHBondContact O-CB 3.37Å; D102-N106 PolarHBondContact O-N 3.37Å; D102-N106 PolarHBondContact O-ND2 2.98Å
103I97.4Very high96.8Very high3 Ų362.5 Ų62.52%0.01532%0.32CS..Hα-helixtrans-69.4-33.5175.9-57.9179.2000111.6L7 R15 L65 L91 V98 E100 L101 F107 A110L7-I103 HydrophobicContact CD2-CD1 4.34Å; R15-I103 HydrophobicContact CB-CG2 4.21Å; L65-I103 HydrophobicContact CD1-CD1 3.68Å; L91-I103 HydrophobicContact CD1-CD1 4.1Å; V98-I103 HydrophobicContact CG2-CD1 4.49Å; V98-I103 HydrophobicContact CG2-CG1 4.27Å; E100-I103 PolarHBondContact O-N 3Å; L101-I103 VanDerWaalsContact C-N 3.27Å; L101-I103 PolarHBondContact O-N 3.45Å; I103-F107 WeakPolarHBondContact O-CA 3.46Å; I103-F107 WeakPolarHBondContact O-CB 3.44Å; I103-F107 PolarHBondContact O-N 2.99Å; I103-A110 HydrophobicContact CG2-CB 4.26Å
104I96.9Very high96.8Very high57 Ų5755.3 Ų55.329%0.29229%0.289SS..Hα-helixtrans-69.4-43.3177.8-71.3163.7000111.1E100 L101E100-I104 HydrophobicContact CG-CD1 3.79Å; E100-I104 HydrophobicContact CG-CG1 4.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.5Å; E100-I104 VanDerWaalsContact O-CG1 3.29Å; E100-I104 WeakPolarHBondContact O-CG1 3.28Å; E100-I104 PolarHBondContact O-N 3.1Å; E100-I104 VanDerWaalsContact O-N 3.11Å; L101-I104 HydrophobicContact CD2-CD1 4.23Å; L101-I104 WeakPolarHBondContact O-CB 3.29Å; L101-I104 PolarHBondContact O-N 3.29Å
105F97.3Very high96.8Very high147 Ų14754.7 Ų54.765%0.64529%0.29SS*.Hα-helixtrans-82.1-28.8-176-73.9-65.9000113.1L101L101-F105 HydrophobicContact CB-CD2 4.2Å; L101-F105 HydrophobicContact CB-CE2 4.25Å; L101-F105 HydrophobicContact CD2-CE2 4.13Å; L101-F105 WeakPolarHBondContact O-CD2 3.27Å; L101-F105 PolarHBondContact O-N 3.5Å
106N96.8Very high96.9Very high59 Ų5955.6 Ų55.632%0.31630%0.295SS..SBendtrans-122.550.3-178.7-46.1-82.4000110.4F95 D102 E108 K109 A110F95-N106 HydrophobicContact CE1-CB 3.76Å; F95-N106 HydrophobicContact CZ-CB 3.95Å; D102-N106 WeakPolarHBondContact O-CB 3.37Å; D102-N106 PolarHBondContact O-N 3.37Å; D102-N106 PolarHBondContact O-ND2 2.98Å; N106-E108 VanDerWaalsContact C-N 3.25Å; N106-E108 WeakPolarHBondContact CA-OE1 3.28Å; N106-E108 PolarHBondContact O-N 3.13Å; N106-K109 HydrophobicContact CB-CB 4.16Å; N106-K109 HydrophobicContact CB-CG 4.17Å; N106-K109 PolarHBondContact O-N 3.12Å; N106-A110 PolarHBondContact O-N 2.92Å; N106-A110 VanDerWaalsContact O-N 3.17Å
107F96.4Very high97.1Very high112 Ų11253.4 Ų53.449%0.49127%0.271SS..Hα-helixtrans-63.7-35.7-173.471.1-88.6000111.3I103 A110 Y111I103-F107 WeakPolarHBondContact O-CA 3.46Å; I103-F107 WeakPolarHBondContact O-CB 3.44Å; I103-F107 PolarHBondContact O-N 2.99Å; F107-A110 WeakPolarHBondContact O-CB 3.43Å; F107-A110 PolarHBondContact O-N 3.06Å; F107-Y111 HydrophobicContact CD2-CD2 4.13Å; F107-Y111 HydrophobicContact CD2-CE2 4.12Å; F107-Y111 WeakPolarHBondContact O-CD2 3.36Å; F107-Y111 PolarHBondContact O-N 3.42Å
108E96Very high97.3Very high62 Ų6248.6 Ų48.629%0.2924%0.237SC..Hα-helixtrans-60.6-43.5174.866.2-65.9154.800111.9N106 A110 Y111 F112N106-E108 VanDerWaalsContact C-N 3.25Å; N106-E108 WeakPolarHBondContact CA-OE1 3.28Å; N106-E108 PolarHBondContact O-N 3.13Å; E108-A110 VanDerWaalsContact C-N 3.3Å; E108-A110 PolarHBondContact O-N 3.48Å; E108-Y111 CarbonylContact O-C 3.58Å; E108-Y111 WeakPolarHBondContact O-CA 3.48Å; E108-Y111 WeakPolarHBondContact O-CB 3.29Å; E108-Y111 PolarHBondContact O-N 2.96Å; E108-Y111 VanDerWaalsContact O-N 3.08Å; E108-F112 HydrophobicContact CB-CE2 4.4Å; E108-F112 HydrophobicContact CB-CZ 4.25Å; E108-F112 HydrophobicContact CG-CE2 4.44Å; E108-F112 WeakPolarHBondContact O-CD1 3.38Å; E108-F112 VanDerWaalsContact O-CG 3.24Å; E108-F112 WeakPolarHBondContact O-CG 3.22Å; E108-F112 PolarHBondContact O-N 2.61Å
109K96.9Very high97.4Very high30 Ų3052 Ų5213%0.1325%0.254CS..Hα-helixtrans-63.6-37.9175.4-60.9-57-170177.90111.4Y94 F95 N106 Y111 F112 I113 D139Y94-K109 HydrophobicContact CE1-CB 4.02Å; Y94-K109 HydrophobicContact CE1-CG 4.41Å; F95-K109 HydrophobicContact CZ-CB 4.23Å; N106-K109 HydrophobicContact CB-CB 4.16Å; N106-K109 HydrophobicContact CB-CG 4.17Å; N106-K109 PolarHBondContact O-N 3.12Å; K109-Y111 PolarHBondContact O-N 2.88Å; K109-F112 HydrophobicContact CD-CD2 3.89Å; K109-F112 HydrophobicContact CD-CE2 4.24Å; K109-F112 PolarHBondContact O-N 3.31Å; K109-I113 WeakPolarHBondContact O-CD1 3.41Å; K109-I113 VanDerWaalsContact O-CG1 3.24Å; K109-I113 WeakPolarHBondContact O-CG1 3.36Å; K109-I113 PolarHBondContact O-N 3.01Å; K109-D139 IonicContact NZ-OD1 2.81Å; K109-D139 PolarHBondContact NZ-OD1 3.42Å
110A98.2Very high97.4Very high0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-61.6-42.5172.100000111.9L16 Y87 L91 I103 N106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.18Å; Y87-A110 PolarHBondContact OH-O 3.44Å; L91-A110 HydrophobicContact CD2-CB 4.09Å; I103-A110 HydrophobicContact CG2-CB 4.26Å; N106-A110 PolarHBondContact O-N 2.92Å; N106-A110 VanDerWaalsContact O-N 3.17Å; F107-A110 WeakPolarHBondContact O-CB 3.43Å; F107-A110 PolarHBondContact O-N 3.06Å; E108-A110 VanDerWaalsContact C-N 3.3Å; E108-A110 PolarHBondContact O-N 3.48Å; A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 PolarHBondContact O-N 3.32Å
111Y98.3Very high97.4Very high56 Ų5650 Ų5022%0.2225%0.252CS..Hα-helixtrans-63.3-40.5173.2-81.9-79.5000112.6L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.47Å; L16-Y111 HydrophobicContact CD1-CE1 4.48Å; L16-Y111 HydrophobicContact CD2-CD1 4.42Å; L16-Y111 HydrophobicContact CD2-CE1 3.83Å; L16-Y111 HydrophobicContact CG-CD1 4.22Å; L16-Y111 HydrophobicContact CG-CD2 4.4Å; L16-Y111 HydrophobicContact CG-CE1 3.76Å; L16-Y111 HydrophobicContact CG-CE2 3.94Å; Q17-Y111 PolarHBondContact N-OH 2.89Å; Q17-Y111 PolarHBondContact O-OH 2.96Å; K18-Y111 HydrophobicContact CD-CD1 4.36Å; K18-Y111 HydrophobicContact CD-CE1 4.41Å; F107-Y111 HydrophobicContact CD2-CD2 4.13Å; F107-Y111 HydrophobicContact CD2-CE2 4.12Å; F107-Y111 WeakPolarHBondContact O-CD2 3.36Å; F107-Y111 PolarHBondContact O-N 3.42Å; E108-Y111 CarbonylContact O-C 3.58Å; E108-Y111 WeakPolarHBondContact O-CA 3.48Å; E108-Y111 WeakPolarHBondContact O-CB 3.29Å; E108-Y111 PolarHBondContact O-N 2.96Å; E108-Y111 VanDerWaalsContact O-N 3.08Å; K109-Y111 PolarHBondContact O-N 2.88Å; Y111-L114 PolarHBondContact O-N 2.93Å; Y111-D115 VanDerWaalsContact O-CB 3.29Å; Y111-D115 WeakPolarHBondContact O-CB 3.24Å; Y111-D115 VanDerWaalsContact O-CG 3.23Å; Y111-D115 PolarHBondContact O-N 3.17Å
112F97.8Very high97.3Very high94 Ų9450 Ų5041%0.41225%0.249SC..Hα-helixtrans-63.7-46178.3-60.4-21.4000111.7E108 K109 L114 D115 E116 I135E108-F112 HydrophobicContact CB-CE2 4.4Å; E108-F112 HydrophobicContact CB-CZ 4.25Å; E108-F112 HydrophobicContact CG-CE2 4.44Å; E108-F112 WeakPolarHBondContact O-CD1 3.38Å; E108-F112 VanDerWaalsContact O-CG 3.24Å; E108-F112 WeakPolarHBondContact O-CG 3.22Å; E108-F112 PolarHBondContact O-N 2.61Å; K109-F112 HydrophobicContact CD-CD2 3.89Å; K109-F112 HydrophobicContact CD-CE2 4.24Å; K109-F112 PolarHBondContact O-N 3.31Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 3.14Å; F112-D115 PolarHBondContact O-N 2.92Å; F112-D115 VanDerWaalsContact O-N 3.15Å; F112-E116 PolarHBondContact O-N 2.79Å; F112-I135 HydrophobicContact CB-CD1 4.15Å; F112-I135 WeakPolarHBondContact O-CD1 3.45Å
113I98.3Very high97.3Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-60.3-41.7175.3-63.5160.9000110.7Y87 L90 L91 Y94 F95 K109 D115 E116 F117 I135Y87-I113 HydrophobicContact CD2-CG2 4.36Å; Y87-I113 HydrophobicContact CE2-CB 4.39Å; Y87-I113 HydrophobicContact CE2-CG2 4Å; L90-I113 HydrophobicContact CB-CG2 3.82Å; L90-I113 HydrophobicContact CD1-CG2 4.45Å; L91-I113 HydrophobicContact CD2-CD1 4.05Å; Y94-I113 HydrophobicContact CD1-CD1 3.58Å; Y94-I113 HydrophobicContact CD2-CD1 4.13Å; Y94-I113 HydrophobicContact CE1-CD1 4.14Å; Y94-I113 HydrophobicContact CG-CD1 3.56Å; Y94-I113 HydrophobicContact CG-CG1 4.46Å; F95-I113 HydrophobicContact CE2-CD1 4.4Å; K109-I113 WeakPolarHBondContact O-CD1 3.41Å; K109-I113 VanDerWaalsContact O-CG1 3.24Å; K109-I113 WeakPolarHBondContact O-CG1 3.36Å; K109-I113 PolarHBondContact O-N 3.01Å; I113-D115 VanDerWaalsContact C-N 3.33Å; I113-E116 PolarHBondContact O-N 2.84Å; I113-F117 WeakPolarHBondContact O-CB 3.45Å; I113-F117 PolarHBondContact O-N 2.82Å; I113-F117 VanDerWaalsContact O-N 3.15Å; I113-I135 HydrophobicContact CG1-CD1 4.27Å; I113-I135 HydrophobicContact CG1-CG1 4.1Å; I113-I135 HydrophobicContact CG1-CG2 4.21Å
114L98.3Very high97.3Very high0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-63.9-41176.9-174.761.3000111.6M5 L16 K18 Y87 A110 Y111 F112 E116 F117 L118M5-L114 HydrophobicContact SD-CD1 3.78Å; M5-L114 HydrophobicContact SD-CD2 4.31Å; L16-L114 HydrophobicContact CD1-CD2 4.23Å; L16-L114 HydrophobicContact CD2-CD2 3.84Å; K18-L114 HydrophobicContact CB-CD2 3.79Å; K18-L114 HydrophobicContact CG-CD2 4.08Å; Y87-L114 HydrophobicContact CD1-CD1 4.35Å; Y87-L114 HydrophobicContact CD2-CB 4.5Å; Y87-L114 HydrophobicContact CD2-CD1 3.94Å; Y87-L114 HydrophobicContact CE1-CD1 4.25Å; Y87-L114 HydrophobicContact CE2-CB 3.69Å; Y87-L114 HydrophobicContact CE2-CD1 3.87Å; Y87-L114 HydrophobicContact CE2-CG 4.37Å; Y87-L114 HydrophobicContact CG-CD1 4.19Å; A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 PolarHBondContact O-N 3.32Å; Y111-L114 PolarHBondContact O-N 2.93Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 3.14Å; L114-E116 VanDerWaalsContact C-N 3.34Å; L114-F117 PolarHBondContact O-N 2.78Å; L114-L118 HydrophobicContact CD1-CB 4.42Å; L114-L118 HydrophobicContact CD1-CD1 3.79Å; L114-L118 HydrophobicContact CD1-CG 4.15Å; L114-L118 PolarHBondContact O-N 2.89Å
115D97.9Very high97.3Very high54 Ų5453.6 Ų53.629%0.28927%0.27SS..Hα-helixtrans-76.7-19.9-176.9-74.7-1.5000113.1K18 Y111 F112 I113 Q124K18-D115 WeakPolarHBondContact CE-OD1 3.43Å; K18-D115 IonicContact NZ-OD1 3.23Å; K18-D115 PolarHBondContact NZ-OD1 2.88Å; K18-D115 IonicContact NZ-OD2 2.77Å; K18-D115 PolarHBondContact NZ-OD2 2.9Å; Y111-D115 VanDerWaalsContact O-CB 3.29Å; Y111-D115 WeakPolarHBondContact O-CB 3.24Å; Y111-D115 VanDerWaalsContact O-CG 3.23Å; Y111-D115 PolarHBondContact O-N 3.17Å; F112-D115 PolarHBondContact O-N 2.92Å; F112-D115 VanDerWaalsContact O-N 3.15Å; I113-D115 VanDerWaalsContact C-N 3.33Å; D115-Q124 PolarHBondContact O-NE2 2.86Å
116E97.9Very high97.2Very high65 Ų6551.6 Ų51.630%0.30427%0.27SS..Hα-helixtrans-82.2-24.4168.4-169.861.7-149.600111.6F112 I113 L114 Q124 V131 A134 I135F112-E116 PolarHBondContact O-N 2.79Å; I113-E116 PolarHBondContact O-N 2.84Å; L114-E116 VanDerWaalsContact C-N 3.34Å; E116-Q124 VanDerWaalsContact O-CD 3.28Å; E116-Q124 VanDerWaalsContact O-CG 3.28Å; E116-Q124 WeakPolarHBondContact O-CG 3.35Å; E116-Q124 PolarHBondContact O-NE2 2.89Å; E116-V131 HydrophobicContact CB-CG1 4.04Å; E116-V131 HydrophobicContact CG-CB 4.38Å; E116-V131 HydrophobicContact CG-CG1 3.88Å; E116-A134 HydrophobicContact CG-CB 3.85Å; E116-A134 VanDerWaalsContact OE1-CB 3.25Å; E116-A134 WeakPolarHBondContact OE1-CB 3.21Å; E116-I135 HydrophobicContact CB-CD1 3.75Å; E116-I135 HydrophobicContact CB-CG1 4.17Å; E116-I135 HydrophobicContact CG-CD1 4.23Å; E116-I135 HydrophobicContact CG-CG1 4.28Å
117F98.4Very high97.2Very high5 Ų550.6 Ų50.62%0.02227%0.268CS..Hα-helixtrans-89.6-44.1178.9175.4-136.2000113.3I83 R86 Y87 L90 I113 L114 Q124 E125 V131I83-F117 HydrophobicContact CB-CZ 4.38Å; I83-F117 HydrophobicContact CG1-CZ 4.4Å; I83-F117 HydrophobicContact CG2-CE1 3.76Å; I83-F117 HydrophobicContact CG2-CZ 3.96Å; I83-F117 WeakPolarHBondContact O-CE1 3.44Å; R86-F117 HydrophobicContact CB-CE1 4.28Å; R86-F117 HydrophobicContact CB-CZ 3.83Å; R86-F117 HydrophobicContact CG-CD2 4.47Å; R86-F117 HydrophobicContact CG-CE1 4.13Å; R86-F117 HydrophobicContact CG-CE2 3.71Å; R86-F117 HydrophobicContact CG-CZ 3.52Å; Y87-F117 HydrophobicContact CD2-CD1 4.29Å; L90-F117 HydrophobicContact CD1-CB 3.87Å; L90-F117 HydrophobicContact CD1-CD1 4.06Å; L90-F117 HydrophobicContact CD1-CD2 4.12Å; L90-F117 HydrophobicContact CD1-CG 3.74Å; I113-F117 WeakPolarHBondContact O-CB 3.45Å; I113-F117 PolarHBondContact O-N 2.82Å; I113-F117 VanDerWaalsContact O-N 3.15Å; L114-F117 PolarHBondContact O-N 2.78Å; F117-Q124 PolarHBondContact O-N 3.38Å; F117-Q124 VanDerWaalsContact O-N 3.08Å; F117-E125 VanDerWaalsContact CD2-O 3.32Å; F117-E125 WeakPolarHBondContact CD2-O 3.47Å; F117-V131 HydrophobicContact CB-CG1 4.46Å
118L97.8Very high97.2Very high1 Ų148.9 Ų48.91%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-125.1133.4-174.7-61.2-175000111M2 M5 Y20 I83 L114 E122 A123M2-L118 HydrophobicContact CE-CD1 4.16Å; M2-L118 HydrophobicContact SD-CD1 4.34Å; M5-L118 HydrophobicContact SD-CD1 4.47Å; Y20-L118 WeakPolarHBondContact OH-CB 3.07Å; I83-L118 HydrophobicContact CG2-CD1 3.94Å; I83-L118 HydrophobicContact CG2-CD2 3.95Å; I83-L118 HydrophobicContact CG2-CG 4.49Å; L114-L118 HydrophobicContact CD1-CB 4.42Å; L114-L118 HydrophobicContact CD1-CD1 3.79Å; L114-L118 HydrophobicContact CD1-CG 4.15Å; L114-L118 PolarHBondContact O-N 2.89Å; L118-E122 CarbonylContact C-O 3.58Å; L118-E122 WeakPolarHBondContact CA-O 3.24Å; L118-A123 HydrophobicContact CD2-CB 3.96Å
119L96.9Very high97.3Very high110 Ų11053.8 Ų53.858%0.57628%0.28SS*.EExtended strand (participates in β ladder)trans-137.4134.6176.1-170.466.4000110.3G121 E122 Q124L119-G121 PolarHBondContact O-N 2.79Å; L119-G121 VanDerWaalsContact O-N 3.11Å; L119-E122 PolarHBondContact N-O 2.9Å; L119-E122 PolarHBondContact O-N 2.91Å; L119-Q124 HydrophobicContact CB-CB 4.32Å
120G96.5Very high97.3Very high45 Ų4556 Ų5646%0.46429%0.293SS..THydrogen-bonded Turntrans6122.1177.100000115
121G96.4Very high97.3Very high3 Ų356 Ų563%0.03129%0.294CS..THydrogen-bonded Turntrans85.59.5-177.600000114.4M2 Y20 L119M2-G121 WeakPolarHBondContact CB-O 3.26Å; M2-G121 PolarHBondContact N-O 3.35Å; M2-G121 WeakPolarHBondContact O-CA 3.48Å; Y20-G121 VanDerWaalsContact CG-CA 3.49Å; Y20-G121 VanDerWaalsContact CG-N 3.34Å; L119-G121 PolarHBondContact O-N 2.79Å; L119-G121 VanDerWaalsContact O-N 3.11Å
122E96.3Very high97.3Very high101 Ų10154.9 Ų54.947%0.47229%0.291SS..EExtended strand (participates in β ladder)trans-129.1158.3179.5-61.5-61.716300111.2M1 L118 L119 Q124M1-E122 WeakPolarHBondContact CA-OE1 3.37Å; M1-E122 WeakPolarHBondContact CB-OE1 3.36Å; L118-E122 CarbonylContact C-O 3.58Å; L118-E122 WeakPolarHBondContact CA-O 3.24Å; L119-E122 PolarHBondContact N-O 2.9Å; L119-E122 PolarHBondContact O-N 2.91Å; E122-Q124 PolarHBondContact O-N 3.31Å
123A96.5Very high97.3Very high43 Ų4356 Ų5636%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-75.9123.8174.500000110.6L118L118-A123 HydrophobicContact CD2-CB 3.96Å
124Q97.4Very high97.2Very high89 Ų8957.1 Ų57.142%0.41631%0.305SS..SBendtrans-94.6-37.7179.180-173-6200112.4D115 E116 F117 L119 E122D115-Q124 PolarHBondContact O-NE2 2.86Å; E116-Q124 VanDerWaalsContact O-CD 3.28Å; E116-Q124 VanDerWaalsContact O-CG 3.28Å; E116-Q124 WeakPolarHBondContact O-CG 3.35Å; E116-Q124 PolarHBondContact O-NE2 2.89Å; F117-Q124 PolarHBondContact O-N 3.38Å; F117-Q124 VanDerWaalsContact O-N 3.08Å; L119-Q124 HydrophobicContact CB-CB 4.32Å; E122-Q124 PolarHBondContact O-N 3.31Å
125E97.2Very high97.1Very high49 Ų4957.4 Ų57.423%0.22931%0.307CS..  trans-130.7123.8-178.1177.854.7-9000109.2F117 S127 N130 V131F117-E125 VanDerWaalsContact CD2-O 3.32Å; F117-E125 WeakPolarHBondContact CD2-O 3.47Å; E125-S127 VanDerWaalsContact OE1-CB 3.3Å; E125-S127 WeakPolarHBondContact OE1-CB 3.06Å; E125-S127 PolarHBondContact OE1-N 2.9Å; E125-N130 HydrophobicContact CG-CB 3.78Å; E125-N130 WeakPolarHBondContact OE2-CB 3.32Å; E125-N130 PolarHBondContact OE2-ND2 2.87Å; E125-V131 HydrophobicContact CB-CG2 3.86Å; E125-V131 HydrophobicContact CG-CG2 3.56Å
126T95.5Very high97Very high105 Ų10560.8 Ų60.864%0.64432%0.321SS*.  trans-101.1-9.2-17661.70000112.3R86R86-T126 PolarHBondContact NH1-O 3.03Å
127S97.2Very high96.9Very high39 Ų3962.5 Ų62.527%0.27333%0.329SS..  trans-89.4114.1174.7174.60000110.8E125 K129 N130 V131E125-S127 VanDerWaalsContact OE1-CB 3.3Å; E125-S127 WeakPolarHBondContact OE1-CB 3.06Å; E125-S127 PolarHBondContact OE1-N 2.9Å; S127-K129 PolarHBondContact O-N 2.77Å; S127-K129 PolarHBondContact OG-N 3.03Å; S127-N130 PolarHBondContact O-N 3.11Å; S127-N130 VanDerWaalsContact O-N 3.08Å; S127-N130 PolarHBondContact OG-N 3.43Å; S127-N130 PolarHBondContact OG-OD1 2.98Å; S127-V131 PolarHBondContact O-N 3.34Å
128K96.2Very high96.7Very high75 Ų7564.6 Ų64.633%0.32635%0.347SS..Hα-helixtrans-51.5-40.8171.9-76.3-170.4-74.2-1660112.4E89 L90 N130 L132E89-K128 HydrophobicContact CB-CD 3.98Å; E89-K128 IonicContact OE1-NZ 3.45Å; E89-K128 PolarHBondContact OE1-NZ 3.21Å; E89-K128 WeakPolarHBondContact OE2-CD 3.41Å; E89-K128 WeakPolarHBondContact OE2-CE 3.18Å; E89-K128 IonicContact OE2-NZ 2.67Å; E89-K128 PolarHBondContact OE2-NZ 3.12Å; L90-K128 HydrophobicContact CD2-CB 4.17Å; L90-K128 HydrophobicContact CD2-CG 4.09Å; K128-N130 VanDerWaalsContact C-N 3.32Å; K128-N130 PolarHBondContact O-N 3.4Å; K128-L132 WeakPolarHBondContact O-CB 3.2Å; K128-L132 WeakPolarHBondContact O-CD1 3.49Å; K128-L132 VanDerWaalsContact O-CG 3.28Å; K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.2Å; K128-L132 VanDerWaalsContact O-N 3.08Å
129K97.1Very high96.5Very high165 Ų16565.7 Ų65.772%0.71735%0.353SS*.Hα-helixtrans-64.3-39-177.5-173.8-177.3178.6-176.60111.4S127 K133S127-K129 PolarHBondContact O-N 2.77Å; S127-K129 PolarHBondContact OG-N 3.03Å; K129-K133 VanDerWaalsContact O-CB 3.27Å; K129-K133 WeakPolarHBondContact O-CB 3.5Å; K129-K133 PolarHBondContact O-N 3.09Å; K129-K133 VanDerWaalsContact O-N 3.09Å
130N97.9Very high96.4Very high76 Ų7664.8 Ų64.841%0.40635%0.348SS..Hα-helixtrans-71.9-46.7-178.4-67.43000110.6E125 S127 K128 L132 K133 A134E125-N130 HydrophobicContact CG-CB 3.78Å; E125-N130 WeakPolarHBondContact OE2-CB 3.32Å; E125-N130 PolarHBondContact OE2-ND2 2.87Å; S127-N130 PolarHBondContact O-N 3.11Å; S127-N130 VanDerWaalsContact O-N 3.08Å; S127-N130 PolarHBondContact OG-N 3.43Å; S127-N130 PolarHBondContact OG-OD1 2.98Å; K128-N130 VanDerWaalsContact C-N 3.32Å; K128-N130 PolarHBondContact O-N 3.4Å; N130-L132 PolarHBondContact O-N 2.84Å; N130-K133 PolarHBondContact O-N 3.32Å; N130-A134 PolarHBondContact O-N 3Å
131V97.9Very high96.2Very high1 Ų168 Ų681%0.00635%0.354CS..Hα-helixtrans-54.9-51.9175.9177.30000110.8L90 E116 F117 E125 S127 K133 A134 I135L90-V131 HydrophobicContact CD1-CB 4.45Å; L90-V131 HydrophobicContact CD1-CG1 3.97Å; L90-V131 HydrophobicContact CD2-CB 3.86Å; L90-V131 HydrophobicContact CD2-CG1 3.84Å; E116-V131 HydrophobicContact CB-CG1 4.04Å; E116-V131 HydrophobicContact CG-CB 4.38Å; E116-V131 HydrophobicContact CG-CG1 3.88Å; F117-V131 HydrophobicContact CB-CG1 4.46Å; E125-V131 HydrophobicContact CB-CG2 3.86Å; E125-V131 HydrophobicContact CG-CG2 3.56Å; S127-V131 PolarHBondContact O-N 3.34Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.33Å; V131-A134 PolarHBondContact O-N 2.94Å; V131-I135 WeakPolarHBondContact O-CG1 3.46Å; V131-I135 PolarHBondContact O-N 3.46Å
132L97.1Very high95.9Very high32 Ų3271.3 Ų71.317%0.16837%0.369CS..Hα-helixtrans-63.5-38.5-178.1-69.6164.8000112.6L90 K93 K128 N130 I135 E136L90-L132 HydrophobicContact CD2-CD1 4.37Å; L90-L132 HydrophobicContact CD2-CD2 4.27Å; L90-L132 HydrophobicContact CD2-CG 3.91Å; K93-L132 HydrophobicContact CB-CD1 3.86Å; K93-L132 HydrophobicContact CB-CD2 4.26Å; K93-L132 HydrophobicContact CG-CD1 3.32Å; K93-L132 HydrophobicContact CG-CD2 4.29Å; K93-L132 HydrophobicContact CG-CG 4.45Å; K128-L132 WeakPolarHBondContact O-CB 3.2Å; K128-L132 WeakPolarHBondContact O-CD1 3.49Å; K128-L132 VanDerWaalsContact O-CG 3.28Å; K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.2Å; K128-L132 VanDerWaalsContact O-N 3.08Å; N130-L132 PolarHBondContact O-N 2.84Å; L132-I135 PolarHBondContact O-N 3.07Å; L132-E136 WeakPolarHBondContact O-CB 3.48Å; L132-E136 PolarHBondContact O-N 3.48Å
133K97.8Very high95.5Very high117 Ų11772.8 Ų72.851%0.50938%0.376SS..Hα-helixtrans-64.9-40.9176.6-176-177.2176.6-170.70111.5K129 N130 V131 E136 Q137K129-K133 VanDerWaalsContact O-CB 3.27Å; K129-K133 WeakPolarHBondContact O-CB 3.5Å; K129-K133 PolarHBondContact O-N 3.09Å; K129-K133 VanDerWaalsContact O-N 3.09Å; N130-K133 PolarHBondContact O-N 3.32Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.33Å; K133-E136 PolarHBondContact O-N 2.91Å; K133-Q137 WeakPolarHBondContact O-CB 3.34Å; K133-Q137 VanDerWaalsContact O-CG 3.27Å; K133-Q137 WeakPolarHBondContact O-CG 3.4Å; K133-Q137 PolarHBondContact O-N 3.25Å
134A97.3Very high95.1Very high24 Ų2477.5 Ų77.520%0.19839%0.391CS..Hα-helixtrans-65.4-42.8177.900000111.5E116 N130 V131 Q137 A138E116-A134 HydrophobicContact CG-CB 3.85Å; E116-A134 VanDerWaalsContact OE1-CB 3.25Å; E116-A134 WeakPolarHBondContact OE1-CB 3.21Å; N130-A134 PolarHBondContact O-N 3Å; V131-A134 PolarHBondContact O-N 2.94Å; A134-Q137 PolarHBondContact O-N 3.35Å; A134-A138 WeakPolarHBondContact O-CB 3.5Å; A134-A138 PolarHBondContact O-N 3.08Å
135I96.8Very high94.6Very high7 Ų777.3 Ų77.34%0.03640%0.404CS..Hα-helixtrans-62.5-44.9174.4-63.8-63.5000111.6Y94 F112 I113 E116 V131 L132 Q137 A138 D139Y94-I135 HydrophobicContact CD2-CG2 3.84Å; Y94-I135 HydrophobicContact CE2-CG2 3.44Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.44Å; F112-I135 HydrophobicContact CB-CD1 4.15Å; F112-I135 WeakPolarHBondContact O-CD1 3.45Å; I113-I135 HydrophobicContact CG1-CD1 4.27Å; I113-I135 HydrophobicContact CG1-CG1 4.1Å; I113-I135 HydrophobicContact CG1-CG2 4.21Å; E116-I135 HydrophobicContact CB-CD1 3.75Å; E116-I135 HydrophobicContact CB-CG1 4.17Å; E116-I135 HydrophobicContact CG-CD1 4.23Å; E116-I135 HydrophobicContact CG-CG1 4.28Å; V131-I135 WeakPolarHBondContact O-CG1 3.46Å; V131-I135 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 3.07Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.86Å; I135-A138 PolarHBondContact O-N 2.86Å; I135-A138 VanDerWaalsContact O-N 3.16Å; I135-D139 PolarHBondContact O-N 2.97Å
136E95.6Very high93.9Very high124 Ų12481.5 Ų81.558%0.57942%0.424SS*.Hα-helixtrans-60.1-41.4176.8-176.7179.7-16400111.8L132 K133 D139 L140L132-E136 WeakPolarHBondContact O-CB 3.48Å; L132-E136 PolarHBondContact O-N 3.48Å; K133-E136 PolarHBondContact O-N 2.91Å; E136-D139 PolarHBondContact O-N 3.31Å; E136-L140 WeakPolarHBondContact O-CG 3.47Å; E136-L140 PolarHBondContact O-N 2.86Å
137Q95.6Very high92.9Very high101 Ų10179.1 Ų79.147%0.47242%0.415SS..Hα-helixtrans-65.4-40174.8-72.9177.5-25.300112.4K133 A134 I135 L140 L141K133-Q137 WeakPolarHBondContact O-CB 3.34Å; K133-Q137 VanDerWaalsContact O-CG 3.27Å; K133-Q137 WeakPolarHBondContact O-CG 3.4Å; K133-Q137 PolarHBondContact O-N 3.25Å; A134-Q137 PolarHBondContact O-N 3.35Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.86Å; Q137-L140 PolarHBondContact O-N 2.85Å; Q137-L141 WeakPolarHBondContact O-CG 3.24Å; Q137-L141 PolarHBondContact O-N 3.29Å; Q137-L141 VanDerWaalsContact O-N 3.12Å
138A94.1Very high91.6Very high50 Ų5083.1 Ų83.141%0.41344%0.44SS..Hα-helixtrans-65.9-39.5176.800000112A134 I135 L141 Q142A134-A138 WeakPolarHBondContact O-CB 3.5Å; A134-A138 PolarHBondContact O-N 3.08Å; I135-A138 PolarHBondContact O-N 2.86Å; I135-A138 VanDerWaalsContact O-N 3.16Å; A138-L141 PolarHBondContact O-N 2.86Å; A138-Q142 PolarHBondContact O-N 2.92Å
139D93.4Very high90.1Very high24 Ų2488.5 Ų88.513%0.12846%0.458CS..Hα-helixtrans-63.9-45.4176.2-74.8-17.1000111.3Y94 K109 I135 E136 L141 Q142 E143Y94-D139 VanDerWaalsContact CE2-OD2 3.28Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.31Å; Y94-D139 PolarHBondContact OH-OD2 3Å; K109-D139 IonicContact NZ-OD1 2.81Å; K109-D139 PolarHBondContact NZ-OD1 3.42Å; I135-D139 PolarHBondContact O-N 2.97Å; E136-D139 PolarHBondContact O-N 3.31Å; D139-L141 PolarHBondContact O-N 2.81Å; D139-Q142 WeakPolarHBondContact O-CB 3.39Å; D139-Q142 PolarHBondContact O-N 2.94Å; D139-Q142 VanDerWaalsContact O-N 3.15Å; D139-E143 WeakPolarHBondContact O-CG 3.46Å; D139-E143 PolarHBondContact O-N 3.1Å
140L94.1Very high88.6Confident90 Ų9083 Ų8347%0.47144%0.44SS..Hα-helixtrans-59.1-43.9175.7-71.9170.5000112.5E136 Q137 Q142 E143 E144E136-L140 WeakPolarHBondContact O-CG 3.47Å; E136-L140 PolarHBondContact O-N 2.86Å; Q137-L140 PolarHBondContact O-N 2.85Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 2.68Å; L140-E143 PolarHBondContact O-N 2.91Å; L140-E144 WeakPolarHBondContact O-CG 3.45Å; L140-E144 PolarHBondContact O-N 2.84Å
141L92.4Very high86.9Confident112 Ų11284.2 Ų84.259%0.58645%0.45SS*.Hα-helixtrans-65-35.5177.2-72170.9000112.2Q137 A138 D139 A145Q137-L141 WeakPolarHBondContact O-CG 3.24Å; Q137-L141 PolarHBondContact O-N 3.29Å; Q137-L141 VanDerWaalsContact O-N 3.12Å; A138-L141 PolarHBondContact O-N 2.86Å; D139-L141 PolarHBondContact O-N 2.81Å; L141-A145 WeakPolarHBondContact O-CB 3.45Å; L141-A145 PolarHBondContact O-N 2.87Å; L141-A145 VanDerWaalsContact O-N 3.12Å
142Q89.9Confident85.1Confident74 Ų7488.8 Ų88.835%0.34647%0.474SS..Hα-helixtrans-65.7-44.9175.2-169.7-172.7-30.800110.6A138 D139 L140 A145 E146A138-Q142 PolarHBondContact O-N 2.92Å; D139-Q142 WeakPolarHBondContact O-CB 3.39Å; D139-Q142 PolarHBondContact O-N 2.94Å; D139-Q142 VanDerWaalsContact O-N 3.15Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 2.68Å; Q142-A145 PolarHBondContact O-N 2.77Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.32Å; Q142-E146 PolarHBondContact NE2-OE1 3.08Å; Q142-E146 WeakPolarHBondContact O-CG 3.2Å; Q142-E146 PolarHBondContact O-N 3.27Å
143E89.3Confident83.7Confident131 Ų13192.5 Ų92.561%0.61249%0.491SS*.Hα-helixtrans-61.6-42.7176.6-71.4179.5179.300112.2D139 L140 A145 E146 A147D139-E143 WeakPolarHBondContact O-CG 3.46Å; D139-E143 PolarHBondContact O-N 3.1Å; L140-E143 PolarHBondContact O-N 2.91Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.92Å; E143-E146 PolarHBondContact O-N 3.47Å; E143-A147 PolarHBondContact O-N 3.49Å
144E87.9Confident82.1Confident143 Ų14393.6 Ų93.667%0.66850%0.497SS*.Hα-helixtrans-62.1-37175.7-75.318017700112.5L140L140-E144 WeakPolarHBondContact O-CG 3.45Å; L140-E144 PolarHBondContact O-N 2.84Å
145A85.3Confident81Confident85 Ų8597.2 Ų97.270%0.70251%0.512SS*.Hα-helixtrans-73.4-29.8178.500000113.1L141 Q142 E143L141-A145 WeakPolarHBondContact O-CB 3.45Å; L141-A145 PolarHBondContact O-N 2.87Å; L141-A145 VanDerWaalsContact O-N 3.12Å; Q142-A145 PolarHBondContact O-N 2.77Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.92Å
146E82.5Confident79.6Confident137 Ų13799.8 Ų99.864%0.6454%0.541SS*.Hα-helixtrans-87.1-13.3178.1-69.7177.4-165.200112.9Q142 E143Q142-E146 WeakPolarHBondContact CG-OE1 3.32Å; Q142-E146 PolarHBondContact NE2-OE1 3.08Å; Q142-E146 WeakPolarHBondContact O-CG 3.2Å; Q142-E146 PolarHBondContact O-N 3.27Å; E143-E146 PolarHBondContact O-N 3.47Å
147A76.1Confident78.1Confident54 Ų5499.9 Ų99.945%0.44655%0.545SS..SBendtrans-59.6130.8175.700000110.4E143 R149E143-A147 PolarHBondContact O-N 3.49Å; A147-R149 PolarHBondContact O-N 3.12Å; A147-R149 VanDerWaalsContact O-N 3.1Å
148P68.3Low76.5Confident123 Ų123102.5 Ų102.580%0.79957%0.568SS**PPolyproline II helixtrans-59.8122.3176.723.3-30.8000108.4S150P148-S150 PolarHBondContact O-N 3.43Å
149R66Low75.6Confident189 Ų189105.1 Ų105.171%0.71358%0.575SS**PPolyproline II helixtrans-50.6134.3169.3-80.2-176.3176.9176.5-1.3107.6A147 V151 E154A147-R149 PolarHBondContact O-N 3.12Å; A147-R149 VanDerWaalsContact O-N 3.1Å; R149-V151 PolarHBondContact O-N 3.47Å; R149-E154 HydrophobicContact CB-CG 4.02Å
150S66.3Low74.6Confident48 Ų48109.4 Ų109.434%0.33660%0.599SS.*PPolyproline II helixtrans-58.3139.3177.268.10000107.8P148 L152 E153 E154P148-S150 PolarHBondContact O-N 3.43Å; S150-L152 PolarHBondContact O-N 3.01Å; S150-E153 PolarHBondContact N-OE2 3.4Å; S150-E153 WeakPolarHBondContact O-CB 3.48Å; S150-E153 PolarHBondContact O-N 2.85Å; S150-E153 VanDerWaalsContact OG-CG 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.06Å; S150-E153 PolarHBondContact OG-N 3.14Å; S150-E153 PolarHBondContact OG-OE2 2.78Å; S150-E154 PolarHBondContact O-N 2.75Å; S150-E154 VanDerWaalsContact O-N 3.1Å
151V61Low73.6Confident103 Ų103110.4 Ų110.462%0.62461%0.606SS**Hα-helixtrans-52.8-28.1176-179.20000110.5R149 E154 I155R149-V151 PolarHBondContact O-N 3.47Å; V151-E154 PolarHBondContact O-N 3.46Å; V151-I155 HydrophobicContact CG1-CD1 4.49Å; V151-I155 WeakPolarHBondContact O-CD1 3.42Å; V151-I155 WeakPolarHBondContact O-CG1 3.4Å; V151-I155 WeakPolarHBondContact O-CG2 3.41Å; V151-I155 PolarHBondContact O-N 3.16Å
152L61.1Low72.5Confident96 Ų96110.4 Ų110.450%0.50361%0.607SS.*Hα-helixtrans-64.6-39.5174.4-64170.3000113.6S150 I155 G156 L157S150-L152 PolarHBondContact O-N 3.01Å; L152-I155 HydrophobicContact CD2-CD1 4.39Å; L152-G156 PolarHBondContact O-N 3.05Å; L152-L157 PolarHBondContact O-N 3.34Å
153E67.8Low71.4Confident111 Ų111112.6 Ų112.652%0.51962%0.623SS.*Hα-helixtrans-72.5-35.9172.8-74.6163.6142.200111.8S150 I155 G156S150-E153 PolarHBondContact N-OE2 3.4Å; S150-E153 WeakPolarHBondContact O-CB 3.48Å; S150-E153 PolarHBondContact O-N 2.85Å; S150-E153 VanDerWaalsContact OG-CG 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.06Å; S150-E153 PolarHBondContact OG-N 3.14Å; S150-E153 PolarHBondContact OG-OE2 2.78Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.05Å; E153-G156 PolarHBondContact O-N 3.05Å
154E62.4Low70.2Confident139 Ų139111.4 Ų111.465%0.6562%0.624SS**Hα-helixtrans-67.2-33.1177-70.1-168.8157.800112.9R149 S150 V151R149-E154 HydrophobicContact CB-CG 4.02Å; S150-E154 PolarHBondContact O-N 2.75Å; S150-E154 VanDerWaalsContact O-N 3.1Å; V151-E154 PolarHBondContact O-N 3.46Å
155I74.2Confident68.9Low100 Ų100109.1 Ų109.151%0.51362%0.621SS.*THydrogen-bonded Turntrans-92.66.6176.568.8-166.3000113.6V151 L152 E153 L157V151-I155 HydrophobicContact CG1-CD1 4.49Å; V151-I155 WeakPolarHBondContact O-CD1 3.42Å; V151-I155 WeakPolarHBondContact O-CG1 3.4Å; V151-I155 WeakPolarHBondContact O-CG2 3.41Å; V151-I155 PolarHBondContact O-N 3.16Å; L152-I155 HydrophobicContact CD2-CD1 4.39Å; E153-I155 VanDerWaalsContact C-N 3.33Å; E153-I155 PolarHBondContact O-N 3.05Å; I155-L157 HydrophobicContact CD1-CD1 3.64Å; I155-L157 HydrophobicContact CD1-CG 4.43Å; I155-L157 HydrophobicContact CG1-CB 4.11Å; I155-L157 HydrophobicContact CG1-CD1 3.81Å; I155-L157 HydrophobicContact CG1-CG 4.05Å; I155-L157 PolarHBondContact O-N 3.44Å
156G67.4Low67.6Low62 Ų62111 Ų11164%0.63962%0.615SS**THydrogen-bonded Turntrans66.631.5173.400000114.7L152 E153L152-G156 PolarHBondContact O-N 3.05Å; E153-G156 PolarHBondContact O-N 3.05Å
157L64.8Low66.4Low125 Ų125108.8 Ų108.865%0.65461%0.613SS**  trans-98.16.9-177.8-83.7173.9000114.5L152 I155L152-L157 PolarHBondContact O-N 3.34Å; I155-L157 HydrophobicContact CD1-CD1 3.64Å; I155-L157 HydrophobicContact CD1-CG 4.43Å; I155-L157 HydrophobicContact CG1-CB 4.11Å; I155-L157 HydrophobicContact CG1-CD1 3.81Å; I155-L157 HydrophobicContact CG1-CG 4.05Å; I155-L157 PolarHBondContact O-N 3.44Å
158T61.5Low65.5Low156 Ų156113.8 Ų113.896%0.95763%0.628SS**  trans-139.40167.647.80000110.5

Retrieved 158 of 158 residues in 114.5 ms (Link to these results)

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