A0A093HMF0_STRCA Loading...

Chorion-specific transcription factor GCMb

AlphaFold DB , UniProt , Accession A0A093HMF0, Species STRCA (Struthio camelus australis), Gene n/a, Length 468 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
1M46.3Very low80.5Confident241 Ų241101.8 Ų101.8100%1.18753%0.527SS*.  0154.20-64.2170.9-178.300108.7
2K51.4Low81.4Confident201 Ų20193.8 Ų93.887%0.87449%0.486SS*.  trans-78.5118.8171.7-122.4179.1-178178.40108.2T4K2-T4 PolarHBondContact O-N 3.23Å
3L65.4Low81.9Confident71 Ų7190.8 Ų90.837%0.37248%0.475SS..  trans-71112.4174.3-70.6170.3000109W5 R31L3-W5 HydrophobicContact CD1-CZ2 4.46Å; L3-R31 HydrophobicContact CB-CB 4.43Å; L3-R31 HydrophobicContact CD1-CB 3.78Å; L3-R31 WeakPolarHBondContact CD1-O 3.18Å; L3-R31 PolarHBondContact O-NH1 2.97Å
4T83.4Confident81.7Confident135 Ų13592.5 Ų92.583%0.82848%0.48SS*.  trans-77.6-16.8-168.143.10000114.9K2K2-T4 PolarHBondContact O-N 3.23Å
5W90.1Very high81.5Confident11 Ų1198.1 Ų98.14%0.04250%0.503CS..  trans-88.6150.9-179.460.3-92.4000112.7L3 I7 D9 L12 P13 R31 V33 F134 F135L3-W5 HydrophobicContact CD1-CZ2 4.46Å; W5-I7 HydrophobicContact CZ3-CB 4.17Å; W5-I7 HydrophobicContact CZ3-CG1 4.48Å; W5-D9 WeakPolarHBondContact CA-OD2 3.35Å; W5-L12 HydrophobicContact CB-CD2 4.23Å; W5-L12 HydrophobicContact CD2-CD2 4.43Å; W5-L12 HydrophobicContact CE3-CD2 3.94Å; W5-P13 HydrophobicContact CB-CG 4.22Å; W5-P13 HydrophobicContact CG-CG 4.22Å; W5-R31 HydrophobicContact CH2-CB 3.88Å; W5-R31 HydrophobicContact CH2-CG 4.26Å; W5-R31 HydrophobicContact CZ2-CB 3.83Å; W5-R31 HydrophobicContact CZ3-CG 4.49Å; W5-R31 WeakPolarHBondContact O-CD 3.39Å; W5-R31 PolarHBondContact O-NE 3.13Å; W5-R31 PolarHBondContact O-NH1 2.77Å; W5-V33 HydrophobicContact CZ2-CG2 3.58Å; W5-F134 AromaticContact CD2-CD1 3.99Å; W5-F134 HydrophobicContact CD2-CD1 3.99Å; W5-F134 HydrophobicContact CD2-CE1 4.36Å; W5-F134 AromaticContact CE2-CD1 3.79Å; W5-F134 HydrophobicContact CE3-CD1 4.04Å; W5-F134 HydrophobicContact CH2-CB 4.07Å; W5-F134 AromaticContact CH2-CD1 3.8Å; W5-F134 HydrophobicContact CH2-CD1 3.8Å; W5-F134 HydrophobicContact CH2-CG 4.45Å; W5-F134 AromaticContact CZ2-CD1 3.73Å; W5-F134 HydrophobicContact CZ2-CD1 3.73Å; W5-F134 HydrophobicContact CZ2-CE1 4.42Å; W5-F134 HydrophobicContact CZ3-CB 4.08Å; W5-F134 AromaticContact CZ3-CD1 3.95Å; W5-F134 HydrophobicContact CZ3-CD1 3.95Å; W5-F134 HydrophobicContact CZ3-CG 4.49Å; W5-F135 WeakPolarHBondContact CH2-O 3.41Å
6D91.8Very high81.5Confident28 Ų2893.7 Ų93.715%0.1548%0.482CS..  trans-112152.6159-160.7-92.6000109.8N8 D9 L12 R31 Q136 K138D6-N8 PolarHBondContact O-N 3.33Å; D6-N8 PolarHBondContact OD1-ND2 2.73Å; D6-D9 PolarHBondContact N-OD2 2.95Å; D6-D9 WeakPolarHBondContact O-CB 3.29Å; D6-D9 PolarHBondContact O-N 2.78Å; D6-L12 WeakPolarHBondContact O-CD2 3.47Å; D6-R31 IonicContact OD2-CZ 3.59Å; D6-R31 IonicContact OD2-NE 3.66Å; D6-R31 IonicContact OD2-NH2 2.73Å; D6-R31 PolarHBondContact OD2-NH2 3.14Å; D6-Q136 PolarHBondContact OD1-OE1 3.37Å; D6-Q136 PolarHBondContact OD2-NE2 2.95Å; D6-Q136 PolarHBondContact OD2-OE1 2.73Å; D6-K138 IonicContact OD1-NZ 3.55Å; D6-K138 PolarHBondContact OD1-NZ 2.78Å; D6-K138 IonicContact OD2-NZ 2.74Å
7I94.1Very high81.5Confident0 Ų0101 Ų1010%051%0.51CS..THydrogen-bonded Turntrans-67.7-15-172.1-154.8167.5000113.8W5 I60 F125 R127 F134 Q136W5-I7 HydrophobicContact CZ3-CB 4.17Å; W5-I7 HydrophobicContact CZ3-CG1 4.48Å; I7-I60 WeakPolarHBondContact O-CD1 3.37Å; I7-F125 HydrophobicContact CD1-CB 3.75Å; I7-F125 WeakPolarHBondContact CD1-O 3.47Å; I7-F125 HydrophobicContact CG2-CB 3.77Å; I7-F125 HydrophobicContact CG2-CG 4.19Å; I7-R127 HydrophobicContact CD1-CB 3.97Å; I7-R127 HydrophobicContact CG1-CB 3.82Å; I7-R127 PolarHBondContact O-NH1 3.04Å; I7-R127 VanDerWaalsContact O-NH1 3.13Å; I7-F134 HydrophobicContact CD1-CB 4.43Å; I7-F134 WeakPolarHBondContact CD1-O 3.14Å; I7-F134 HydrophobicContact CG1-CB 4.4Å; I7-Q136 HydrophobicContact CB-CB 4.3Å; I7-Q136 HydrophobicContact CD1-CB 4.46Å; I7-Q136 HydrophobicContact CG2-CB 4.34Å
8N92.8Very high81.8Confident86 Ų86102.7 Ų102.746%0.4652%0.515SS..THydrogen-bonded Turntrans-90-5.6179.1-55.3-79.3000113D6D6-N8 PolarHBondContact O-N 3.33Å; D6-N8 PolarHBondContact OD1-ND2 2.73Å
9D92.9Very high82.5Confident59 Ų59101.6 Ų101.632%0.31651%0.507SS..SBendtrans-62.1140.2178.2-63.3-15.7000110.1W5 D6 Q11 L12 R127W5-D9 WeakPolarHBondContact CA-OD2 3.35Å; D6-D9 PolarHBondContact N-OD2 2.95Å; D6-D9 WeakPolarHBondContact O-CB 3.29Å; D6-D9 PolarHBondContact O-N 2.78Å; D9-Q11 VanDerWaalsContact C-N 3.28Å; D9-Q11 PolarHBondContact O-N 3.35Å; D9-L12 HydrophobicContact CB-CD2 4.45Å; D9-R127 PolarHBondContact O-NH1 2.75Å
10P89.6Confident83.1Confident122 Ų12298.9 Ų98.979%0.79249%0.494SS*.SBendtrans-56.4-42-176.2-27.935.5000113.1R127P10-R127 PolarHBondContact O-NH2 3.06Å
11Q87.6Confident83.7Confident166 Ų16699.5 Ų99.578%0.77651%0.508SS*.SBendtrans-117.3135.7175.2-64.4178-4.500109.5D9D9-Q11 VanDerWaalsContact C-N 3.28Å; D9-Q11 PolarHBondContact O-N 3.35Å
12L91.1Very high86.2Confident6 Ų690.4 Ų90.43%0.03146%0.462CS..  trans-101.4162.4171.9-66.4171000110.3W5 D6 D9 Q14 R127 D129 F134W5-L12 HydrophobicContact CB-CD2 4.23Å; W5-L12 HydrophobicContact CD2-CD2 4.43Å; W5-L12 HydrophobicContact CE3-CD2 3.94Å; D6-L12 WeakPolarHBondContact O-CD2 3.47Å; D9-L12 HydrophobicContact CB-CD2 4.45Å; L12-Q14 PolarHBondContact O-N 3.05Å; L12-Q14 PolarHBondContact O-NE2 2.88Å; L12-R127 HydrophobicContact CD1-CB 4.42Å; L12-R127 HydrophobicContact CD1-CG 3.94Å; L12-D129 HydrophobicContact CD1-CB 4.36Å; L12-F134 HydrophobicContact CB-CD2 4.2Å; L12-F134 HydrophobicContact CB-CE1 4.21Å; L12-F134 HydrophobicContact CB-CE2 3.84Å; L12-F134 HydrophobicContact CB-CZ 3.87Å; L12-F134 HydrophobicContact CD1-CB 4.02Å; L12-F134 HydrophobicContact CD1-CD1 4.26Å; L12-F134 HydrophobicContact CD1-CD2 3.58Å; L12-F134 HydrophobicContact CD1-CE2 4.1Å; L12-F134 HydrophobicContact CD1-CG 3.68Å; L12-F134 HydrophobicContact CG-CD2 4.47Å
13P88.3Confident88.3Confident54 Ų5484.1 Ų84.135%0.35144%0.436SS..  trans-58.5108179.1-2534.8000111.8W5 E15 P16 F134W5-P13 HydrophobicContact CB-CG 4.22Å; W5-P13 HydrophobicContact CG-CG 4.22Å; P13-E15 VanDerWaalsContact C-N 3.3Å; P13-E15 PolarHBondContact O-N 2.99Å; P13-P16 WeakPolarHBondContact O-CD 3.37Å; P13-F134 WeakPolarHBondContact O-CZ 3.4Å
14Q79.4Confident89.8Confident115 Ų11584.3 Ų84.354%0.53744%0.435SS..SBendtrans-65.7-31-170.9-63.6-61.5-69.100113.6L12 P16 D129L12-Q14 PolarHBondContact O-N 3.05Å; L12-Q14 PolarHBondContact O-NE2 2.88Å; Q14-P16 WeakPolarHBondContact O-CD 3.49Å; Q14-D129 PolarHBondContact NE2-OD2 2.93Å
15E78.6Confident90.4Very high177 Ų17780.2 Ų80.283%0.82740%0.404SS*.SBendtrans-122.981.2176.8-63.4-166.4149.400110.7P13 K17P13-E15 VanDerWaalsContact C-N 3.3Å; P13-E15 PolarHBondContact O-N 2.99Å; E15-K17 PolarHBondContact O-N 2.74Å
16P81.6Confident90.7Very high27 Ų2779.8 Ų79.818%0.17540%0.403CS..  trans-68.8114.9174.328.7-32.4000109.8P13 Q14 H18 F19 V33 A132P13-P16 WeakPolarHBondContact O-CD 3.37Å; Q14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-H18 PolarHBondContact O-N 3.25Å; P16-F19 HydrophobicContact CG-CD1 4.36Å; P16-F19 HydrophobicContact CG-CE1 3.59Å; P16-F19 HydrophobicContact CG-CZ 3.9Å; P16-V33 HydrophobicContact CB-CG1 3.89Å; P16-V33 HydrophobicContact CG-CG1 3.91Å; P16-A132 HydrophobicContact CG-CB 3.84Å
17K80.8Confident90.9Very high218 Ų21880.8 Ų80.895%0.94841%0.408SS*.SBendtrans-67-5.3-178.7-60-173.7179-174.30114.7E15E15-K17 PolarHBondContact O-N 2.74Å
18H87.3Confident91Very high132 Ų13281.4 Ų81.461%0.61141%0.414SS*.  trans-147.3143.4-179.9-176.267.3000109P16P16-H18 PolarHBondContact O-N 3.25Å
19F94.4Very high91.1Very high81 Ų8184 Ų8436%0.35542%0.419SS..  trans-119130.9171.9-66-70.6000109.4P16 V33 Y34 S35 A132P16-F19 HydrophobicContact CG-CD1 4.36Å; P16-F19 HydrophobicContact CG-CE1 3.59Å; P16-F19 HydrophobicContact CG-CZ 3.9Å; F19-V33 CarbonylContact C-O 3.23Å; F19-V33 VanDerWaalsContact CA-O 3.25Å; F19-V33 WeakPolarHBondContact CA-O 3.36Å; F19-V33 HydrophobicContact CD1-CG1 4.16Å; F19-V33 HydrophobicContact CE1-CG1 4.32Å; F19-Y34 VanDerWaalsContact CD1-C 3.45Å; F19-S35 VanDerWaalsContact CD1-N 3.32Å; F19-A132 HydrophobicContact CE1-CB 4.04Å
20D95.3Very high91.2Very high48 Ų4883.2 Ų83.226%0.25742%0.416SS..  trans-70.1148.6175.4-64-74.7000110.9L32 V33 Y34D20-L32 HydrophobicContact CB-CB 4.21Å; D20-L32 HydrophobicContact CB-CD2 4.02Å; D20-L32 VanDerWaalsContact OD2-CA 3.25Å; D20-L32 WeakPolarHBondContact OD2-CA 3.05Å; D20-V33 PolarHBondContact N-O 2.9Å; D20-V33 PolarHBondContact OD2-N 3.47Å; D20-Y34 HydrophobicContact CB-CD1 4.31Å; D20-Y34 HydrophobicContact CB-CE1 4.28Å; D20-Y34 WeakPolarHBondContact O-CD1 3.45Å
21S96.3Very high91.5Very high112 Ų11281 Ų8178%0.78339%0.392SS*.  trans-71.5143.3168.9-68.30000110.6Q23S21-Q23 PolarHBondContact O-N 3.04Å; S21-Q23 VanDerWaalsContact O-N 3.1Å
22F97.3Very high91.9Very high49 Ų4974 Ų7422%0.21536%0.36CS..  trans-58.7115.6-175.3178.3-98.4000113.1E24 Y34 E38 N40 A41 L45 W126F22-E24 HydrophobicContact CE1-CB 4.12Å; F22-Y34 HydrophobicContact CD2-CE1 4.42Å; F22-Y34 HydrophobicContact CD2-CE2 4.5Å; F22-E38 HydrophobicContact CB-CG 4Å; F22-E38 HydrophobicContact CD2-CG 4.47Å; F22-N40 HydrophobicContact CD1-CB 3.67Å; F22-N40 HydrophobicContact CD2-CB 3.65Å; F22-N40 HydrophobicContact CE1-CB 3.7Å; F22-N40 HydrophobicContact CE2-CB 3.67Å; F22-N40 HydrophobicContact CG-CB 3.66Å; F22-N40 HydrophobicContact CZ-CB 3.71Å; F22-A41 HydrophobicContact CD2-CB 4.37Å; F22-L45 HydrophobicContact CZ-CB 3.87Å; F22-W126 HydrophobicContact CE2-CH2 4.24Å
23Q96.8Very high92.1Very high70 Ų7074 Ų7433%0.32736%0.36SS..  trans-92.4109.7177.1-169.91750.100110.5S21 W25 L32 Y34S21-Q23 PolarHBondContact O-N 3.04Å; S21-Q23 VanDerWaalsContact O-N 3.1Å; Q23-W25 VanDerWaalsContact C-N 3.32Å; Q23-W25 PolarHBondContact NE2-O 3.25Å; Q23-W25 PolarHBondContact O-N 2.99Å; Q23-L32 HydrophobicContact CB-CD1 4.1Å; Q23-Y34 PolarHBondContact N-OH 3.2Å
24E96.3Very high92.5Very high75 Ų7571.4 Ų71.435%0.3534%0.343SS..SBendtrans-64-39.3174.9-178.2-178.1-153.100111.6F22 P26 S46 G47F22-E24 HydrophobicContact CE1-CB 4.12Å; E24-P26 WeakPolarHBondContact O-CD 3.49Å; E24-S46 CarbonylContact O-C 3.58Å; E24-S46 WeakPolarHBondContact O-CA 3.44Å; E24-S46 PolarHBondContact O-OG 2.85Å; E24-G47 PolarHBondContact O-N 2.96Å
25W97.3Very high93.3Very high49 Ų4967.1 Ų67.119%0.18633%0.326CS..SBendtrans-112.967.5-174.7-57.694.1000111.5Q23 G47 W48 R145 P146Q23-W25 VanDerWaalsContact C-N 3.32Å; Q23-W25 PolarHBondContact NE2-O 3.25Å; Q23-W25 PolarHBondContact O-N 2.99Å; W25-G47 VanDerWaalsContact CH2-CA 3.47Å; W25-G47 WeakPolarHBondContact CH2-O 3.44Å; W25-G47 WeakPolarHBondContact CZ3-O 3.44Å; W25-W48 AromaticContact CE3-CD2 3.8Å; W25-W48 HydrophobicContact CE3-CD2 3.8Å; W25-W48 AromaticContact CE3-CE2 3.82Å; W25-W48 HydrophobicContact CE3-CE3 4.21Å; W25-W48 HydrophobicContact CE3-CG 4.15Å; W25-W48 HydrophobicContact CE3-CZ2 4.28Å; W25-W48 AromaticContact CZ3-CD2 3.91Å; W25-W48 HydrophobicContact CZ3-CD2 3.91Å; W25-W48 AromaticContact CZ3-CE3 3.93Å; W25-W48 HydrophobicContact CZ3-CE3 3.93Å; W25-W48 HydrophobicContact CZ3-CG 4.31Å; W25-W48 HydrophobicContact CZ3-CZ3 4.44Å; W25-R145 HydrophobicContact CD2-CG 4.46Å; W25-R145 HydrophobicContact CE3-CB 4.23Å; W25-R145 HydrophobicContact CE3-CG 3.74Å; W25-R145 HydrophobicContact CH2-CB 4.03Å; W25-R145 HydrophobicContact CH2-CG 4.44Å; W25-R145 HydrophobicContact CZ3-CB 3.7Å; W25-R145 HydrophobicContact CZ3-CG 3.73Å; W25-P146 VanDerWaalsContact CH2-O 3.28Å; W25-P146 WeakPolarHBondContact CH2-O 3.49Å
26P96.3Very high94.1Very high1 Ų159.8 Ų59.81%0.00629%0.294CS..  trans-67.7137.2172.131.1-33.4000108.9E24 V30 W48 F135E24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-V30 HydrophobicContact CB-CG2 4.11Å; P26-W48 VanDerWaalsContact O-CD1 3.3Å; P26-W48 PolarHBondContact O-NE1 2.82Å; P26-F135 HydrophobicContact CB-CE1 3.59Å; P26-F135 HydrophobicContact CB-CZ 3.54Å; P26-F135 HydrophobicContact CG-CE1 4.11Å; P26-F135 HydrophobicContact CG-CE2 4.37Å; P26-F135 HydrophobicContact CG-CZ 3.53Å
27D95.4Very high94.7Very high49 Ų4964.2 Ų64.226%0.26231%0.312SS..  trans-149.7150.9-177.7-156.2-10.6000109.4V30 V140 H141D27-V30 WeakPolarHBondContact O-CG1 3.47Å; D27-V140 WeakPolarHBondContact OD1-CA 3.11Å; D27-H141 IonicContact OD1-CD2 3.35Å; D27-H141 PolarHBondContact OD1-CD2 2.74Å; D27-H141 PolarHBondContact OD1-N 2.75Å
28G95.1Very high95.5Very high13 Ų1356.6 Ų56.613%0.13428%0.28CS..SBendtrans68.7-169-169.700000114.2V30 A137 G139G28-V30 PolarHBondContact O-N 3.32Å; G28-A137 VanDerWaalsContact O-CB 3.24Å; G28-A137 WeakPolarHBondContact O-CB 3.49Å; G28-G139 CarbonylContact C-O 3.58Å; G28-G139 VanDerWaalsContact C-O 3.23Å; G28-G139 WeakPolarHBondContact CA-O 3.49Å; G28-G139 PolarHBondContact N-O 2.6Å
29Y95.6Very high96Very high140 Ų14057 Ų5755%0.54928%0.28SS..SBendtrans-82.846.8-175.1-64.8-91.4000112.7H117 A137 K138 G139Y29-H117 AromaticContact CE1-CE1 3.89Å; Y29-H117 AromaticContact CE1-ND1 3.92Å; Y29-H117 AromaticContact CZ-ND1 3.87Å; Y29-H117 PolarHBondContact OH-ND1 2.92Å; Y29-A137 WeakPolarHBondContact CA-O 3.29Å; Y29-K138 HydrophobicContact CD1-CB 4.12Å; Y29-K138 HydrophobicContact CD1-CG 4.4Å; Y29-K138 HydrophobicContact CE1-CB 4.04Å; Y29-G139 VanDerWaalsContact CE1-N 3.25Å
30V95.2Very high96.1Very high43 Ų4356 Ų5626%0.26128%0.278SS..  trans-73.6146-178.9-69.70000112.4P26 D27 G28 F135 Q136 A137P26-V30 HydrophobicContact CB-CG2 4.11Å; D27-V30 WeakPolarHBondContact O-CG1 3.47Å; G28-V30 PolarHBondContact O-N 3.32Å; V30-F135 HydrophobicContact CG2-CE1 4.09Å; V30-Q136 WeakPolarHBondContact O-CA 3.36Å; V30-A137 HydrophobicContact CG2-CB 3.82Å; V30-A137 PolarHBondContact O-N 3.31Å
31R95.8Very high96.2Very high77 Ų7753.7 Ų53.729%0.29127%0.266SS..EExtended strand (participates in β ladder)trans-121135166.4-70.8175.9-179157.6-5106.9L3 W5 D6 F135 Q136L3-R31 HydrophobicContact CB-CB 4.43Å; L3-R31 HydrophobicContact CD1-CB 3.78Å; L3-R31 WeakPolarHBondContact CD1-O 3.18Å; L3-R31 PolarHBondContact O-NH1 2.97Å; W5-R31 HydrophobicContact CH2-CB 3.88Å; W5-R31 HydrophobicContact CH2-CG 4.26Å; W5-R31 HydrophobicContact CZ2-CB 3.83Å; W5-R31 HydrophobicContact CZ3-CG 4.49Å; W5-R31 WeakPolarHBondContact O-CD 3.39Å; W5-R31 PolarHBondContact O-NE 3.13Å; W5-R31 PolarHBondContact O-NH1 2.77Å; D6-R31 IonicContact OD2-CZ 3.59Å; D6-R31 IonicContact OD2-NE 3.66Å; D6-R31 IonicContact OD2-NH2 2.73Å; D6-R31 PolarHBondContact OD2-NH2 3.14Å; R31-F135 CarbonylContact C-O 3.52Å; R31-F135 WeakPolarHBondContact CA-O 3.36Å; R31-Q136 HydrophobicContact CG-CB 4.39Å; R31-Q136 HydrophobicContact CG-CG 3.92Å; R31-Q136 VanDerWaalsContact NE-NE2 3.11Å
32L95.7Very high96.2Very high18 Ų1852.8 Ų52.89%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-141.1154-178-58.2168.4000109.5D20 Q23 Y34 F135D20-L32 HydrophobicContact CB-CB 4.21Å; D20-L32 HydrophobicContact CB-CD2 4.02Å; D20-L32 VanDerWaalsContact OD2-CA 3.25Å; D20-L32 WeakPolarHBondContact OD2-CA 3.05Å; Q23-L32 HydrophobicContact CB-CD1 4.1Å; L32-Y34 HydrophobicContact CB-CE1 4.24Å; L32-Y34 HydrophobicContact CD1-CE1 4.26Å; L32-Y34 VanDerWaalsContact CD1-OH 3.23Å; L32-Y34 WeakPolarHBondContact CD1-OH 3.31Å; L32-F135 HydrophobicContact CB-CB 4.29Å; L32-F135 HydrophobicContact CB-CD1 4.05Å; L32-F135 HydrophobicContact CD1-CD1 3.86Å; L32-F135 HydrophobicContact CD1-CE1 4.21Å; L32-F135 HydrophobicContact CG-CD1 4.15Å; L32-F135 PolarHBondContact N-O 3.31Å; L32-F135 PolarHBondContact O-N 3Å
33V96.5Very high96.2Very high6 Ų658.7 Ų58.74%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-127.7106.2177.2-169.50000108.7W5 P16 F19 D20 A132 F134W5-V33 HydrophobicContact CZ2-CG2 3.58Å; P16-V33 HydrophobicContact CB-CG1 3.89Å; P16-V33 HydrophobicContact CG-CG1 3.91Å; F19-V33 CarbonylContact C-O 3.23Å; F19-V33 VanDerWaalsContact CA-O 3.25Å; F19-V33 WeakPolarHBondContact CA-O 3.36Å; F19-V33 HydrophobicContact CD1-CG1 4.16Å; F19-V33 HydrophobicContact CE1-CG1 4.32Å; D20-V33 PolarHBondContact N-O 2.9Å; D20-V33 PolarHBondContact OD2-N 3.47Å; V33-A132 HydrophobicContact CG1-CB 3.91Å; V33-F134 HydrophobicContact CB-CE1 4.48Å; V33-F134 HydrophobicContact CG1-CD1 4.15Å; V33-F134 HydrophobicContact CG1-CE1 3.87Å; V33-F134 HydrophobicContact CG1-CZ 4.12Å; V33-F134 HydrophobicContact CG2-CD1 3.79Å; V33-F134 HydrophobicContact CG2-CE1 3.74Å
34Y96.8Very high96.2Very high0 Ų057.6 Ų57.60%027%0.265CS..EExtended strand (participates in β ladder)trans-91.6153.6175.1-50.6-60.9000110.2F19 D20 F22 Q23 L32 A41 W126 A132 I133 F135F19-Y34 VanDerWaalsContact CD1-C 3.45Å; D20-Y34 HydrophobicContact CB-CD1 4.31Å; D20-Y34 HydrophobicContact CB-CE1 4.28Å; D20-Y34 WeakPolarHBondContact O-CD1 3.45Å; F22-Y34 HydrophobicContact CD2-CE1 4.42Å; F22-Y34 HydrophobicContact CD2-CE2 4.5Å; Q23-Y34 PolarHBondContact N-OH 3.2Å; L32-Y34 HydrophobicContact CB-CE1 4.24Å; L32-Y34 HydrophobicContact CD1-CE1 4.26Å; L32-Y34 VanDerWaalsContact CD1-OH 3.23Å; L32-Y34 WeakPolarHBondContact CD1-OH 3.31Å; Y34-A41 HydrophobicContact CD2-CB 3.55Å; Y34-A41 HydrophobicContact CE2-CB 4.4Å; Y34-A41 HydrophobicContact CG-CB 3.7Å; Y34-W126 HydrophobicContact CD2-CZ3 4.04Å; Y34-W126 HydrophobicContact CE2-CH2 4.25Å; Y34-W126 AromaticContact CE2-CZ3 3.69Å; Y34-W126 HydrophobicContact CE2-CZ3 3.69Å; Y34-A132 WeakPolarHBondContact O-CA 3.06Å; Y34-I133 PolarHBondContact N-O 2.99Å; Y34-I133 PolarHBondContact O-N 2.9Å; Y34-F135 HydrophobicContact CD2-CB 4.12Å; Y34-F135 HydrophobicContact CE2-CB 3.62Å; Y34-F135 HydrophobicContact CE2-CD2 4.42Å; Y34-F135 AromaticContact CE2-CG 3.95Å; Y34-F135 HydrophobicContact CE2-CG 3.95Å
35S95.6Very high96.2Very high24 Ų2456 Ų5617%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-74.1157.9173.696.50000111.4F19 E37 E38F19-S35 VanDerWaalsContact CD1-N 3.32Å; S35-E37 WeakPolarHBondContact CB-OE2 3.47Å; S35-E37 PolarHBondContact O-N 3.19Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-N 3.21Å; S35-E37 PolarHBondContact OG-OE2 2.93Å; S35-E38 PolarHBondContact O-N 3.36Å
36S94.9Very high96.2Very high24 Ų2454.4 Ų54.417%0.16826%0.255CS..THydrogen-bonded Turntrans-61.5-16.3177.236.10000114.1Q42 K131S36-Q42 WeakPolarHBondContact O-CG 3.4Å; S36-Q42 PolarHBondContact O-NE2 2.94Å; S36-K131 PolarHBondContact N-O 3.17Å; S36-K131 VanDerWaalsContact OG-C 3.31Å; S36-K131 VanDerWaalsContact OG-CA 3.29Å; S36-K131 WeakPolarHBondContact OG-CA 3.48Å; S36-K131 PolarHBondContact OG-O 3.41Å; S36-K131 VanDerWaalsContact OG-O 3.05Å
37E95.3Very high96.2Very high120 Ų12054.3 Ų54.356%0.56126%0.255SS*.THydrogen-bonded Turntrans-89.2-16.1-176.6-58.664.1-123.500112.6S35 K39S35-E37 WeakPolarHBondContact CB-OE2 3.47Å; S35-E37 PolarHBondContact O-N 3.19Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-N 3.21Å; S35-E37 PolarHBondContact OG-OE2 2.93Å; E37-K39 PolarHBondContact O-N 2.88Å
38E97Very high96.4Very high58 Ų5852.2 Ų52.227%0.27124%0.243SC..  trans-71.399.4-177.3176.839.4-106.400111.1F22 S35 N40 A41 Q42F22-E38 HydrophobicContact CB-CG 4Å; F22-E38 HydrophobicContact CD2-CG 4.47Å; S35-E38 PolarHBondContact O-N 3.36Å; E38-N40 PolarHBondContact O-N 2.89Å; E38-N40 VanDerWaalsContact O-N 3.08Å; E38-N40 WeakPolarHBondContact OE1-CA 3.43Å; E38-N40 WeakPolarHBondContact OE1-CB 3.25Å; E38-N40 PolarHBondContact OE1-N 2.76Å; E38-N40 PolarHBondContact OE1-ND2 2.96Å; E38-A41 HydrophobicContact CB-CB 4.04Å; E38-A41 HydrophobicContact CG-CB 3.81Å; E38-A41 WeakPolarHBondContact O-CA 3.42Å; E38-A41 WeakPolarHBondContact O-CB 3.33Å; E38-A41 PolarHBondContact O-N 2.84Å; E38-Q42 WeakPolarHBondContact O-CG 3.24Å; E38-Q42 PolarHBondContact O-N 3.07Å
39K97.1Very high96.5Very high140 Ų14051.6 Ų51.661%0.60924%0.237SC*.Hα-helixtrans-56.4-27.7-173.1-66.2170.4-175.41670114E37 R43E37-K39 PolarHBondContact O-N 2.88Å; K39-R43 WeakPolarHBondContact O-CB 3.33Å; K39-R43 VanDerWaalsContact O-CD 3.24Å; K39-R43 WeakPolarHBondContact O-CD 3.43Å; K39-R43 WeakPolarHBondContact O-CG 3.27Å; K39-R43 PolarHBondContact O-N 2.8Å
40N96.5Very high96.6Very high59 Ų5946 Ų4632%0.31622%0.216SC..Hα-helixtrans-79.5-35.4176.7-58-71000111.9F22 E38 R43 H44 L45F22-N40 HydrophobicContact CD1-CB 3.67Å; F22-N40 HydrophobicContact CD2-CB 3.65Å; F22-N40 HydrophobicContact CE1-CB 3.7Å; F22-N40 HydrophobicContact CE2-CB 3.67Å; F22-N40 HydrophobicContact CG-CB 3.66Å; F22-N40 HydrophobicContact CZ-CB 3.71Å; E38-N40 PolarHBondContact O-N 2.89Å; E38-N40 VanDerWaalsContact O-N 3.08Å; E38-N40 WeakPolarHBondContact OE1-CA 3.43Å; E38-N40 WeakPolarHBondContact OE1-CB 3.25Å; E38-N40 PolarHBondContact OE1-N 2.76Å; E38-N40 PolarHBondContact OE1-ND2 2.96Å; N40-R43 CarbonylContact O-C 3.46Å; N40-R43 PolarHBondContact O-N 2.89Å; N40-H44 PolarHBondContact O-N 2.85Å; N40-H44 VanDerWaalsContact O-N 3.12Å; N40-L45 HydrophobicContact CB-CD1 4.11Å; N40-L45 PolarHBondContact O-N 2.84Å; N40-L45 WeakPolarHBondContact OD1-CD1 3.25Å
41A97.1Very high96.7Very high0 Ų048.2 Ų48.20%022%0.219CC..Hα-helixtrans-71.3-43.3172.600000111.9F22 Y34 E38 R43 H44 W126 I133F22-A41 HydrophobicContact CD2-CB 4.37Å; Y34-A41 HydrophobicContact CD2-CB 3.55Å; Y34-A41 HydrophobicContact CE2-CB 4.4Å; Y34-A41 HydrophobicContact CG-CB 3.7Å; E38-A41 HydrophobicContact CB-CB 4.04Å; E38-A41 HydrophobicContact CG-CB 3.81Å; E38-A41 WeakPolarHBondContact O-CA 3.42Å; E38-A41 WeakPolarHBondContact O-CB 3.33Å; E38-A41 PolarHBondContact O-N 2.84Å; A41-R43 PolarHBondContact O-N 3.35Å; A41-H44 VanDerWaalsContact O-CA 3.3Å; A41-H44 WeakPolarHBondContact O-CA 3.35Å; A41-H44 PolarHBondContact O-CD2 3.43Å; A41-H44 VanDerWaalsContact O-CD2 3.31Å; A41-H44 PolarHBondContact O-N 3.36Å; A41-W126 HydrophobicContact CB-CZ3 4.39Å; A41-I133 HydrophobicContact CB-CB 4.38Å; A41-I133 HydrophobicContact CB-CD1 3.93Å; A41-I133 HydrophobicContact CB-CG2 4.26Å
42Q97.3Very high96.8Very high93 Ų9349.6 Ų49.644%0.43523%0.232SC..Hα-helixtrans-53.4-38.9170.9-70.4179-1200112.4S36 E38 H44 I133S36-Q42 WeakPolarHBondContact O-CG 3.4Å; S36-Q42 PolarHBondContact O-NE2 2.94Å; E38-Q42 WeakPolarHBondContact O-CG 3.24Å; E38-Q42 PolarHBondContact O-N 3.07Å; Q42-H44 VanDerWaalsContact C-N 3.25Å; Q42-H44 PolarHBondContact O-CE1 3.48Å; Q42-H44 VanDerWaalsContact O-CE1 3.22Å; Q42-H44 PolarHBondContact O-ND1 3.04Å; Q42-H44 VanDerWaalsContact O-ND1 3.12Å; Q42-I133 HydrophobicContact CB-CD1 4.43Å; Q42-I133 HydrophobicContact CG-CD1 4.02Å
43R96.8Very high96.8Very high173 Ų17350.6 Ų50.665%0.65324%0.239SC*.THydrogen-bonded Turntrans-84.2-1.3177.3-69.8170.9-179.9-175.7-3112.7K39 N40 A41 L45K39-R43 WeakPolarHBondContact O-CB 3.33Å; K39-R43 VanDerWaalsContact O-CD 3.24Å; K39-R43 WeakPolarHBondContact O-CD 3.43Å; K39-R43 WeakPolarHBondContact O-CG 3.27Å; K39-R43 PolarHBondContact O-N 2.8Å; N40-R43 CarbonylContact O-C 3.46Å; N40-R43 PolarHBondContact O-N 2.89Å; A41-R43 PolarHBondContact O-N 3.35Å; R43-L45 HydrophobicContact CB-CD1 4.19Å; R43-L45 HydrophobicContact CB-CD2 3.98Å; R43-L45 HydrophobicContact CB-CG 3.71Å; R43-L45 PolarHBondContact O-N 2.79Å
44H96.8Very high96.7Very high48 Ų4855.3 Ų55.322%0.22226%0.264CS..THydrogen-bonded Turntrans52.342.8178.1-50.4103.7000111.8N40 A41 Q42 L61 K63 W126N40-H44 PolarHBondContact O-N 2.85Å; N40-H44 VanDerWaalsContact O-N 3.12Å; A41-H44 VanDerWaalsContact O-CA 3.3Å; A41-H44 WeakPolarHBondContact O-CA 3.35Å; A41-H44 PolarHBondContact O-CD2 3.43Å; A41-H44 VanDerWaalsContact O-CD2 3.31Å; A41-H44 PolarHBondContact O-N 3.36Å; Q42-H44 VanDerWaalsContact C-N 3.25Å; Q42-H44 PolarHBondContact O-CE1 3.48Å; Q42-H44 VanDerWaalsContact O-CE1 3.22Å; Q42-H44 PolarHBondContact O-ND1 3.04Å; Q42-H44 VanDerWaalsContact O-ND1 3.12Å; H44-L61 HydrophobicContact CB-CD2 4.01Å; H44-K63 PolarHBondContact O-NZ 2.93Å; H44-W126 HydrophobicContact CB-CD2 3.8Å; H44-W126 HydrophobicContact CB-CE3 4.17Å; H44-W126 HydrophobicContact CB-CG 4.1Å; H44-W126 HydrophobicContact CB-CZ2 4.32Å; H44-W126 VanDerWaalsContact CD2-CB 3.43Å; H44-W126 WeakPolarHBondContact CD2-CB 3.24Å; H44-W126 AromaticContact CD2-CD2 3.61Å; H44-W126 AromaticContact CD2-CE3 3.64Å; H44-W126 AromaticContact CD2-CG 3.56Å
45L96.6Very high96.6Very high40 Ų4057.8 Ų57.821%0.20928%0.278CS..  trans-75159.2-171.9-64.3-178.6000112.5F22 N40 R43 W126 K149F22-L45 HydrophobicContact CZ-CB 3.87Å; N40-L45 HydrophobicContact CB-CD1 4.11Å; N40-L45 PolarHBondContact O-N 2.84Å; N40-L45 WeakPolarHBondContact OD1-CD1 3.25Å; R43-L45 HydrophobicContact CB-CD1 4.19Å; R43-L45 HydrophobicContact CB-CD2 3.98Å; R43-L45 HydrophobicContact CB-CG 3.71Å; R43-L45 PolarHBondContact O-N 2.79Å; L45-W126 VanDerWaalsContact O-CH2 3.26Å; L45-W126 WeakPolarHBondContact O-CH2 3.38Å; L45-W126 VanDerWaalsContact O-CZ2 3.28Å; L45-W126 WeakPolarHBondContact O-CZ2 3.34Å; L45-K149 HydrophobicContact CD2-CD 4.32Å
46S96.7Very high96.5Very high16 Ų1664.8 Ų64.811%0.11231%0.308CS..  trans-160.2148.7164.8-178.90000109.9E24 W48 R86E24-S46 CarbonylContact O-C 3.58Å; E24-S46 WeakPolarHBondContact O-CA 3.44Å; E24-S46 PolarHBondContact O-OG 2.85Å; S46-W48 PolarHBondContact O-N 2.84Å; S46-W48 PolarHBondContact OG-N 2.78Å; S46-W48 VanDerWaalsContact OG-N 3.14Å; S46-R86 PolarHBondContact O-NH2 2.98Å
47G97.1Very high96.5Very high0 Ų066.5 Ų66.50%032%0.315CS..SBendtrans-61.8-30.1167.600000111.5E24 W25 R86E24-G47 PolarHBondContact O-N 2.96Å; W25-G47 VanDerWaalsContact CH2-CA 3.47Å; W25-G47 WeakPolarHBondContact CH2-O 3.44Å; W25-G47 WeakPolarHBondContact CZ3-O 3.44Å; G47-R86 PolarHBondContact O-NH1 2.98Å; G47-R86 PolarHBondContact O-NH2 2.88Å
48W98.2Very high96.4Very high5 Ų567.2 Ų67.22%0.01933%0.332CS..SBendtrans-68.7150172.6-60.1117.9000112.7W25 P26 S46 M50 R86 H141 H143 R145W25-W48 AromaticContact CE3-CD2 3.8Å; W25-W48 HydrophobicContact CE3-CD2 3.8Å; W25-W48 AromaticContact CE3-CE2 3.82Å; W25-W48 HydrophobicContact CE3-CE3 4.21Å; W25-W48 HydrophobicContact CE3-CG 4.15Å; W25-W48 HydrophobicContact CE3-CZ2 4.28Å; W25-W48 AromaticContact CZ3-CD2 3.91Å; W25-W48 HydrophobicContact CZ3-CD2 3.91Å; W25-W48 AromaticContact CZ3-CE3 3.93Å; W25-W48 HydrophobicContact CZ3-CE3 3.93Å; W25-W48 HydrophobicContact CZ3-CG 4.31Å; W25-W48 HydrophobicContact CZ3-CZ3 4.44Å; P26-W48 VanDerWaalsContact O-CD1 3.3Å; P26-W48 PolarHBondContact O-NE1 2.82Å; S46-W48 PolarHBondContact O-N 2.84Å; S46-W48 PolarHBondContact OG-N 2.78Å; S46-W48 VanDerWaalsContact OG-N 3.14Å; W48-M50 VanDerWaalsContact C-N 3.25Å; W48-M50 HydrophobicContact CB-CG 4.02Å; W48-M50 HydrophobicContact CB-SD 3.61Å; W48-M50 PolarHBondContact O-N 3.13Å; W48-R86 PolarHBondContact O-NH2 2.95Å; W48-H141 AromaticContact CD1-CD2 3.95Å; W48-H141 AromaticContact CD1-CE1 3.92Å; W48-H141 AromaticContact CD1-NE2 3.44Å; W48-H141 AromaticContact CD2-CD2 3.85Å; W48-H141 AromaticContact CD2-CE1 3.57Å; W48-H141 AromaticContact CD2-CG 3.82Å; W48-H141 AromaticContact CD2-ND1 3.65Å; W48-H141 AromaticContact CD2-NE2 3.7Å; W48-H141 AromaticContact CE2-CD2 3.32Å; W48-H141 AromaticContact CE2-CE1 3.89Å; W48-H141 AromaticContact CE2-CG 3.51Å; W48-H141 AromaticContact CE2-ND1 3.87Å; W48-H141 AromaticContact CE2-NE2 3.59Å; W48-H141 AromaticContact CE3-CE1 3.96Å; W48-H141 AromaticContact CE3-CG 3.99Å; W48-H141 AromaticContact CE3-ND1 3.65Å; W48-H141 AromaticContact CG-CE1 3.6Å; W48-H141 AromaticContact CG-NE2 3.6Å; W48-H141 HydrophobicContact CH2-CB 3.33Å; W48-H141 AromaticContact CH2-CG 3.58Å; W48-H141 HydrophobicContact CZ2-CB 3.48Å; W48-H141 VanDerWaalsContact CZ2-CB 3.48Å; W48-H141 AromaticContact CZ2-CD2 3.53Å; W48-H141 AromaticContact CZ2-CG 3.4Å; W48-H141 VanDerWaalsContact CZ2-CG 3.4Å; W48-H141 HydrophobicContact CZ3-CB 3.91Å; W48-H141 AromaticContact CZ3-CG 3.88Å; W48-H141 AromaticContact CZ3-ND1 3.84Å; W48-H141 AromaticContact NE1-CD2 3.41Å; W48-H141 PolarHBondContact NE1-CD2 3.46Å; W48-H141 AromaticContact NE1-NE2 3.42Å; W48-H141 PolarHBondContact NE1-NE2 2.91Å; W48-H143 AromaticContact CE3-CE1 3.56Å; W48-H143 AromaticContact CZ3-CE1 3.38Å; W48-H143 WeakPolarHBondContact CZ3-CE1 3.36Å; W48-H143 AromaticContact CZ3-ND1 3.89Å; W48-R145 HydrophobicContact CH2-CB 4.47Å; W48-R145 HydrophobicContact CH2-CG 3.52Å; W48-R145 HydrophobicContact CZ2-CG 4.08Å; W48-R145 HydrophobicContact CZ3-CB 4.25Å; W48-R145 HydrophobicContact CZ3-CG 3.76Å
49A98Very high96.3Very high0 Ų070.2 Ų70.20%035%0.346CS..  trans-80.168-178.100000112L66 R86 P87 P146A49-L66 HydrophobicContact CB-CB 4.26Å; A49-L66 VanDerWaalsContact O-CB 3.28Å; A49-L66 WeakPolarHBondContact O-CB 3.29Å; A49-L66 VanDerWaalsContact O-CG 3.32Å; A49-L66 WeakPolarHBondContact O-CG 3.41Å; A49-L66 PolarHBondContact O-N 3.11Å; A49-R86 HydrophobicContact CB-CG 4.23Å; A49-P87 HydrophobicContact CB-CB 4.33Å; A49-P87 HydrophobicContact CB-CG 3.95Å; A49-P146 HydrophobicContact CB-CG 4.38Å
50M97.9Very high96.3Very high21 Ų2163.7 Ų63.710%0.10332%0.317CS..EExtended strand (participates in β ladder)trans-83.2123.3-174.4-49.7-52.5-78.400112.2W48 K63 S64 C65 N124W48-M50 VanDerWaalsContact C-N 3.25Å; W48-M50 HydrophobicContact CB-CG 4.02Å; W48-M50 HydrophobicContact CB-SD 3.61Å; W48-M50 PolarHBondContact O-N 3.13Å; M50-K63 HydrophobicContact CB-CB 4.03Å; M50-K63 HydrophobicContact CB-CD 4.27Å; M50-S64 WeakPolarHBondContact CA-O 3.41Å; M50-C65 HydrophobicContact CE-CB 4Å; M50-C65 VanDerWaalsContact CE-N 3.34Å; M50-C65 VanDerWaalsContact SD-CA 3.52Å; M50-C65 HydrophobicContact SD-CB 3.6Å; M50-C65 VanDerWaalsContact SD-CB 3.6Å; M50-N124 HydrophobicContact CE-CB 4.09Å; M50-N124 WeakPolarHBondContact CE-OD1 3.47Å
51R97.8Very high96.3Very high90 Ų9063.5 Ų63.534%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-89.9152.216658.7163169.7-175.32.7110.9K63 S64 L66 I89R51-K63 CarbonylContact O-C 3.58Å; R51-K63 WeakPolarHBondContact O-CA 3.38Å; R51-K63 VanDerWaalsContact O-CB 3.25Å; R51-K63 WeakPolarHBondContact O-CB 3.42Å; R51-S64 VanDerWaalsContact CG-O 3.31Å; R51-S64 WeakPolarHBondContact CG-O 3.47Å; R51-S64 PolarHBondContact N-O 2.88Å; R51-S64 PolarHBondContact O-N 2.78Å; R51-L66 HydrophobicContact CB-CD1 4.31Å; R51-L66 HydrophobicContact CB-CD2 4.2Å; R51-L66 HydrophobicContact CB-CG 4.2Å; R51-L66 HydrophobicContact CG-CD2 3.79Å; R51-L66 HydrophobicContact CG-CG 4.08Å; R51-I89 HydrophobicContact CB-CG2 4.09Å
52N97.4Very high96.4Very high106 Ų10666.2 Ų66.257%0.56733%0.328SS*.EExtended strand (participates in β ladder)trans-58.3151.2163.9174.5-78.1000109.8L61N52-L61 VanDerWaalsContact ND2-CD1 3.33Å; N52-L61 WeakPolarHBondContact ND2-CD1 3.27Å
53T95.6Very high96.4Very high39 Ų3963.4 Ų63.424%0.23931%0.314CS..  trans-144.3123.5171.5-61.20000108.5N55 K62 S64T53-N55 PolarHBondContact O-N 3.13Å; T53-K62 PolarHBondContact N-O 2.97Å; T53-K62 WeakPolarHBondContact O-CB 3.46Å; T53-S64 WeakPolarHBondContact CB-OG 3.49Å; T53-S64 WeakPolarHBondContact OG1-CB 3.35Å; T53-S64 PolarHBondContact OG1-OG 3.1Å
54N94.4Very high96.5Very high105 Ų10555.7 Ų55.756%0.56129%0.287SS*.  trans-61.4136.9179.6-170.216.5000110.9H56N54-H56 PolarHBondContact ND2-CE1 2.8Å; N54-H56 PolarHBondContact ND2-NE2 3.34Å; N54-H56 VanDerWaalsContact ND2-NE2 3.19Å; N54-H56 PolarHBondContact OD1-N 3.01Å
55N93.8Very high96.6Very high52 Ų5253.5 Ų53.528%0.27828%0.277SS..  trans-129.63.8176.863.5-22.6000112T53 N57 I60 K62T53-N55 PolarHBondContact O-N 3.13Å; N55-N57 PolarHBondContact O-N 3.23Å; N55-N57 VanDerWaalsContact O-N 3.14Å; N55-N57 PolarHBondContact OD1-N 3.36Å; N55-N57 PolarHBondContact OD1-O 3.46Å; N55-I60 PolarHBondContact ND2-O 2.77Å; N55-K62 HydrophobicContact CB-CB 4.01Å; N55-K62 HydrophobicContact CB-CD 3.91Å
56H94.3Very high96.7Very high172 Ų17252.1 Ų52.180%0.79627%0.269SS*.SBendtrans58.219.2-176.8-58.2-101.5000114.9N54N54-H56 PolarHBondContact ND2-CE1 2.8Å; N54-H56 PolarHBondContact ND2-NE2 3.34Å; N54-H56 VanDerWaalsContact ND2-NE2 3.19Å; N54-H56 PolarHBondContact OD1-N 3.01Å
57N94.1Very high96.7Very high59 Ų5951.3 Ų51.332%0.31626%0.264SS..  trans-125.5111174-179.2-19000109.8N55 Q59 I60N55-N57 PolarHBondContact O-N 3.23Å; N55-N57 VanDerWaalsContact O-N 3.14Å; N55-N57 PolarHBondContact OD1-N 3.36Å; N55-N57 PolarHBondContact OD1-O 3.46Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; N57-Q59 PolarHBondContact O-N 2.82Å; N57-Q59 WeakPolarHBondContact OD1-CB 3.25Å; N57-Q59 PolarHBondContact OD1-N 3.39Å; N57-I60 PolarHBondContact O-N 3.41Å
58C93.4Very high96.8Very high136 Ų13651.3 Ų51.392%0.91926%0.264SS*.THydrogen-bonded Turntrans-69.7-19.2-177.856.60000114.6
59Q94.9Very high96.8Very high121 Ų12151.1 Ų51.157%0.56526%0.263SS*.THydrogen-bonded Turntrans-79.8-20.8177.5-58.5177.5-12.700112.6N57 R127N57-Q59 VanDerWaalsContact C-N 3.29Å; N57-Q59 PolarHBondContact O-N 2.82Å; N57-Q59 WeakPolarHBondContact OD1-CB 3.25Å; N57-Q59 PolarHBondContact OD1-N 3.39Å; Q59-R127 WeakPolarHBondContact O-CG 3.48Å
60I97.1Very high96.7Very high3 Ų352.1 Ų52.12%0.01527%0.27CS..SBendtrans-118.9104.7-175.1-56.6176.9000109.5I7 N55 N57 K62 F125 W126 R127I7-I60 WeakPolarHBondContact O-CD1 3.37Å; N55-I60 PolarHBondContact ND2-O 2.77Å; N57-I60 PolarHBondContact O-N 3.41Å; I60-K62 PolarHBondContact O-N 3.47Å; I60-F125 HydrophobicContact CG2-CB 4.01Å; I60-F125 HydrophobicContact CG2-CD1 3.94Å; I60-F125 HydrophobicContact CG2-CG 4.49Å; I60-W126 CarbonylContact C-O 3.5Å; I60-W126 WeakPolarHBondContact CA-O 3.17Å; I60-R127 HydrophobicContact CG1-CB 4.41Å
61L97.9Very high96.7Very high54 Ų5451.4 Ų51.428%0.28327%0.266SS..EExtended strand (participates in β ladder)trans-74.693.1173.7173.456.4000110.3H44 N52 K63 W126H44-L61 HydrophobicContact CB-CD2 4.01Å; N52-L61 VanDerWaalsContact ND2-CD1 3.33Å; N52-L61 WeakPolarHBondContact ND2-CD1 3.27Å; L61-K63 HydrophobicContact CD1-CG 4.45Å; L61-K63 HydrophobicContact CG-CG 4.35Å; L61-W126 HydrophobicContact CB-CB 4.3Å; L61-W126 PolarHBondContact N-O 3.09Å; L61-W126 PolarHBondContact O-N 3.23Å; L61-W126 VanDerWaalsContact O-N 3.13Å
62K98.1Very high96.5Very high57 Ų5749.1 Ų49.125%0.24827%0.267CS..EExtended strand (participates in β ladder)trans-76.8137172-174.8179.2-173.9177.40111.5T53 N55 I60 F125T53-K62 PolarHBondContact N-O 2.97Å; T53-K62 WeakPolarHBondContact O-CB 3.46Å; N55-K62 HydrophobicContact CB-CB 4.01Å; N55-K62 HydrophobicContact CB-CD 3.91Å; I60-K62 PolarHBondContact O-N 3.47Å; K62-F125 HydrophobicContact CB-CD1 4.12Å; K62-F125 HydrophobicContact CB-CE1 4.27Å; K62-F125 HydrophobicContact CD-CD1 4.41Å; K62-F125 HydrophobicContact CD-CE1 3.71Å; K62-F125 HydrophobicContact CD-CZ 4.23Å; K62-F125 HydrophobicContact CG-CD1 4.02Å; K62-F125 HydrophobicContact CG-CE1 3.76Å; K62-F125 HydrophobicContact CG-CZ 4.31Å
63K98.2Very high96.3Very high34 Ų3446 Ų4615%0.14826%0.26CS..EExtended strand (participates in β ladder)trans-134.5146.8173.6-54.2-171.9-174.9-173.70110.4H44 M50 R51 L61 T123 N124H44-K63 PolarHBondContact O-NZ 2.93Å; M50-K63 HydrophobicContact CB-CB 4.03Å; M50-K63 HydrophobicContact CB-CD 4.27Å; R51-K63 CarbonylContact O-C 3.58Å; R51-K63 WeakPolarHBondContact O-CA 3.38Å; R51-K63 VanDerWaalsContact O-CB 3.25Å; R51-K63 WeakPolarHBondContact O-CB 3.42Å; L61-K63 HydrophobicContact CD1-CG 4.45Å; L61-K63 HydrophobicContact CG-CG 4.35Å; K63-T123 CarbonylContact O-C 3.42Å; K63-T123 VanDerWaalsContact O-CA 3.27Å; K63-T123 WeakPolarHBondContact O-CA 3.43Å; K63-N124 PolarHBondContact N-O 3.09Å; K63-N124 PolarHBondContact O-N 3.42Å
64S98.2Very high96.1Very high11 Ų1149.8 Ų49.88%0.07728%0.275CS..EExtended strand (participates in β ladder)trans-123.7144.7177.4-47.20000110.5M50 R51 T53M50-S64 WeakPolarHBondContact CA-O 3.41Å; R51-S64 VanDerWaalsContact CG-O 3.31Å; R51-S64 WeakPolarHBondContact CG-O 3.47Å; R51-S64 PolarHBondContact N-O 2.88Å; R51-S64 PolarHBondContact O-N 2.78Å; T53-S64 WeakPolarHBondContact CB-OG 3.49Å; T53-S64 WeakPolarHBondContact OG1-CB 3.35Å; T53-S64 PolarHBondContact OG1-OG 3.1Å
65C98.6Very high96Very high2 Ų245.7 Ų45.71%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-67.8149.1177.9-161.50000112.1M50 G67 C114 P121 V122 H141M50-C65 HydrophobicContact CE-CB 4Å; M50-C65 VanDerWaalsContact CE-N 3.34Å; M50-C65 VanDerWaalsContact SD-CA 3.52Å; M50-C65 HydrophobicContact SD-CB 3.6Å; M50-C65 VanDerWaalsContact SD-CB 3.6Å; C65-G67 PolarHBondContact SG-N 3.09Å; C65-G67 VanDerWaalsContact SG-N 3.36Å; C65-C114 HydrophobicContact CB-CB 3.78Å; C65-P121 WeakPolarHBondContact O-CB 3.45Å; C65-V122 PolarHBondContact N-O 2.89Å; C65-H141 VanDerWaalsContact SG-CE1 3.53Å
66L98.4Very high95.9Very high11 Ų1146 Ų466%0.05826%0.264CS..  trans-95.5-12.3171.1-69171.7000113.4A49 R51 P87 I89A49-L66 HydrophobicContact CB-CB 4.26Å; A49-L66 VanDerWaalsContact O-CB 3.28Å; A49-L66 WeakPolarHBondContact O-CB 3.29Å; A49-L66 VanDerWaalsContact O-CG 3.32Å; A49-L66 WeakPolarHBondContact O-CG 3.41Å; A49-L66 PolarHBondContact O-N 3.11Å; R51-L66 HydrophobicContact CB-CD1 4.31Å; R51-L66 HydrophobicContact CB-CD2 4.2Å; R51-L66 HydrophobicContact CB-CG 4.2Å; R51-L66 HydrophobicContact CG-CD2 3.79Å; R51-L66 HydrophobicContact CG-CG 4.08Å; L66-P87 HydrophobicContact CB-CB 3.85Å; L66-P87 HydrophobicContact CB-CG 4.08Å; L66-P87 HydrophobicContact CD1-CB 4.08Å; L66-I89 HydrophobicContact CD1-CD1 3.81Å
67G98.3Very high95.5Very high0 Ų040.4 Ų40.40%024%0.24CC..  trans85.7-140.9-168.200000113.1C65 P87 I112C65-G67 PolarHBondContact SG-N 3.09Å; C65-G67 VanDerWaalsContact SG-N 3.36Å; G67-P87 WeakPolarHBondContact O-CG 3.48Å; G67-I112 VanDerWaalsContact CA-O 3.28Å; G67-I112 WeakPolarHBondContact CA-O 3.4Å
68V98.4Very high94.9Very high0 Ų044 Ų440%027%0.266CS..EExtended strand (participates in β ladder)trans-145.4144.8-173.559.50000111.1V70 Q84 I112 H143 P144 P146V68-V70 HydrophobicContact CG1-CG1 4.28Å; V68-V70 HydrophobicContact CG2-CG1 4.33Å; V68-Q84 HydrophobicContact CG2-CB 4.2Å; V68-I112 HydrophobicContact CG1-CB 4.11Å; V68-I112 PolarHBondContact N-O 2.94Å; V68-I112 PolarHBondContact O-N 2.83Å; V68-H143 HydrophobicContact CG1-CB 3.92Å; V68-P144 HydrophobicContact CG1-CG 4.01Å; V68-P146 HydrophobicContact CG2-CB 4.06Å
69V97.9Very high94.3Very high0 Ų040.7 Ų40.70%026%0.255CS..EExtended strand (participates in β ladder)trans-98.2122.1174.4171.60000109.6L85 P87 L109 E110 L111V69-L85 HydrophobicContact CB-CB 4Å; V69-L85 HydrophobicContact CG1-CB 4.17Å; V69-L85 HydrophobicContact CG1-CD1 4.49Å; V69-L85 PolarHBondContact N-O 3.36Å; V69-L85 WeakPolarHBondContact O-CA 3.42Å; V69-L85 WeakPolarHBondContact O-CB 3.04Å; V69-L85 PolarHBondContact O-N 3.29Å; V69-P87 HydrophobicContact CG2-CB 4.34Å; V69-P87 HydrophobicContact CG2-CG 4.17Å; V69-L109 HydrophobicContact CG1-CB 4Å; V69-L109 HydrophobicContact CG1-CD1 4.42Å; V69-L109 HydrophobicContact CG1-CD2 4.34Å; V69-L109 HydrophobicContact CG1-CG 4.5Å; V69-E110 CarbonylContact C-O 2.97Å; V69-E110 WeakPolarHBondContact CA-O 3.34Å; V69-L111 HydrophobicContact CG2-CB 4.29Å; V69-L111 HydrophobicContact CG2-CD1 3.69Å
70V97Very high93.7Very high22 Ų2237.7 Ų37.713%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-116.6171.3-177.8-60.90000111.6V68 L109 E110 I112V68-V70 HydrophobicContact CG1-CG1 4.28Å; V68-V70 HydrophobicContact CG2-CG1 4.33Å; V70-L109 WeakPolarHBondContact O-CA 3.23Å; V70-L109 WeakPolarHBondContact O-CD2 3.47Å; V70-E110 HydrophobicContact CG2-CB 4.27Å; V70-E110 PolarHBondContact N-O 3.13Å; V70-E110 PolarHBondContact O-N 3.35Å; V70-I112 HydrophobicContact CG1-CD1 4.01Å; V70-I112 HydrophobicContact CG2-CD1 3.78Å; V70-I112 HydrophobicContact CG2-CG1 4.02Å
71C96.4Very high93.3Very high5 Ų541.7 Ų41.73%0.03428%0.281CS..EExtended strand (participates in β ladder)trans-86.5123.9168.4-176.60000110.4G73 H74 L83 C102 C105C71-G73 PolarHBondContact O-N 2.59Å; C71-G73 PolarHBondContact SG-N 2.93Å; C71-G73 VanDerWaalsContact SG-N 3.37Å; C71-H74 WeakPolarHBondContact O-CA 3.28Å; C71-H74 PolarHBondContact O-N 3.26Å; C71-L83 HydrophobicContact CB-CB 4.5Å; C71-L83 HydrophobicContact CB-CD2 4.38Å; C71-C102 HydrophobicContact CB-CB 4.41Å; C71-C102 VanDerWaalsContact SG-SG 3.61Å; C71-C105 PolarHBondContact SG-SG 3.12Å
72A95Very high92.9Very high42 Ų4246.6 Ų46.635%0.34730%0.296SS..THydrogen-bonded Turntrans-65-27.8174.600000112.2H74 A108 E110A72-H74 PolarHBondContact O-N 2.8Å; A72-H74 PolarHBondContact O-ND1 2.85Å; A72-A108 HydrophobicContact CB-CB 4.36Å; A72-A108 PolarHBondContact N-O 2.93Å; A72-E110 HydrophobicContact CB-CB 4.48Å
73G92.6Very high92.7Very high42 Ų4244.5 Ų44.543%0.43329%0.288SS..THydrogen-bonded Turntrans-74.25.7169.400000114.6C71 C75C71-G73 PolarHBondContact O-N 2.59Å; C71-G73 PolarHBondContact SG-N 2.93Å; C71-G73 VanDerWaalsContact SG-N 3.37Å; G73-C75 PolarHBondContact O-N 2.86Å
74H91.3Very high92.6Very high118 Ų11846.5 Ų46.555%0.54630%0.298SS..  trans55.417.4172.9-72.978.9000116.5C71 A72C71-H74 WeakPolarHBondContact O-CA 3.28Å; C71-H74 PolarHBondContact O-N 3.26Å; A72-H74 PolarHBondContact O-N 2.8Å; A72-H74 PolarHBondContact O-ND1 2.85Å
75C91.4Very high92.5Very high19 Ų1946.3 Ų46.313%0.12830%0.295CS..PPolyproline II helixtrans-59.2138.1-170.766.90000113.9G73 C102 N104 C105G73-C75 PolarHBondContact O-N 2.86Å; C75-C102 VanDerWaalsContact SG-SG 3.64Å; C75-N104 PolarHBondContact SG-ND2 2.75Å; C75-N104 VanDerWaalsContact SG-ND2 3.4Å; C75-C105 HydrophobicContact CB-CB 4.08Å; C75-C105 VanDerWaalsContact CB-SG 3.59Å; C75-C105 PolarHBondContact SG-SG 3.38Å
76A91.5Very high92.4Very high59 Ų5947.4 Ų47.449%0.48830%0.299SS..BIsolated β-bridgetrans-77144.6164.400000110.8N104A76-N104 PolarHBondContact O-ND2 3.31Å
77L86.9Confident92.4Very high54 Ų5447 Ų4728%0.28330%0.297SS..PPolyproline II helixtrans-77.2166.1162.6-65.5169.4000109.4G79 G80 T81 L83 N104L77-G79 PolarHBondContact O-N 3Å; L77-G80 PolarHBondContact O-N 3.03Å; L77-T81 WeakPolarHBondContact CB-O 3.35Å; L77-T81 PolarHBondContact N-O 3.12Å; L77-L83 HydrophobicContact CD1-CD1 4.44Å; L77-L83 HydrophobicContact CD2-CD1 4.11Å; L77-N104 HydrophobicContact CD2-CB 4.35Å
78P81.3Confident92.4Very high133 Ų13348.2 Ų48.286%0.86431%0.307SS*.THydrogen-bonded Turntrans-55.8-24.6179.5-28.936.7000115.3G80P78-G80 VanDerWaalsContact C-N 3.32Å
79G79.9Confident92.3Very high67 Ų6752.1 Ų52.169%0.69133%0.327SS*.THydrogen-bonded Turntrans-88.219.6172.800000115L77 T81L77-G79 PolarHBondContact O-N 3Å; G79-T81 PolarHBondContact O-N 3.05Å
80G84.4Confident92.2Very high58 Ų5856 Ų5660%0.59835%0.353SS*.SBendtrans73.4-17.5-179.900000115.8L77 P78L77-G80 PolarHBondContact O-N 3.03Å; P78-G80 VanDerWaalsContact C-N 3.32Å
81T87.6Confident92.2Very high88 Ų8858.5 Ų58.554%0.5437%0.366SS..PPolyproline II helixtrans-68.6145.9178.952.60000112.2L77 G79L77-T81 WeakPolarHBondContact CB-O 3.35Å; L77-T81 PolarHBondContact N-O 3.12Å; G79-T81 PolarHBondContact O-N 3.05Å
82R90.6Very high92.2Very high156 Ų15665.5 Ų65.559%0.58940%0.396SS*.BIsolated β-bridgetrans-79.1147.8174.4-69.3-176.6178.6-177.9-1110.9Q84R82-Q84 PolarHBondContact O-N 3.22Å
83L92.8Very high92.3Very high14 Ų1465.5 Ų65.57%0.07340%0.396CS..PPolyproline II helixtrans-64.7118.1177.4-17477.9000111.9C71 L77 L85 C102 P103 L109C71-L83 HydrophobicContact CB-CB 4.5Å; C71-L83 HydrophobicContact CB-CD2 4.38Å; L77-L83 HydrophobicContact CD1-CD1 4.44Å; L77-L83 HydrophobicContact CD2-CD1 4.11Å; L83-L85 HydrophobicContact CD1-CD2 3.73Å; L83-L85 HydrophobicContact CD1-CG 4.27Å; L83-L85 HydrophobicContact CD2-CD1 4.13Å; L83-L85 HydrophobicContact CD2-CD2 4.28Å; L83-L85 HydrophobicContact CD2-CG 3.96Å; L83-L85 HydrophobicContact CG-CD2 3.97Å; L83-L85 HydrophobicContact CG-CG 3.94Å; L83-C102 VanDerWaalsContact CD2-SG 3.57Å; L83-P103 HydrophobicContact CD1-CG 4.31Å; L83-P103 HydrophobicContact CD2-CG 4.08Å; L83-L109 HydrophobicContact CD2-CD2 4.05Å
84Q95.4Very high92.5Very high76 Ų7664.9 Ų64.936%0.35538%0.381SS..EExtended strand (participates in β ladder)trans-124.682.1-178-70.3161.8-100110.5V68 R82 P144 R145 E147V68-Q84 HydrophobicContact CG2-CB 4.2Å; R82-Q84 PolarHBondContact O-N 3.22Å; Q84-P144 HydrophobicContact CG-CB 4.34Å; Q84-R145 WeakPolarHBondContact CB-O 3.17Å; Q84-R145 PolarHBondContact OE1-O 3.29Å; Q84-R145 VanDerWaalsContact OE1-O 3.13Å; Q84-E147 PolarHBondContact O-N 3.18Å
85L96.1Very high92.7Very high6 Ų665.1 Ų65.13%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-80.7147.1-178.7-59.3-171.7000112.4V69 L83 P87 L109V69-L85 HydrophobicContact CB-CB 4Å; V69-L85 HydrophobicContact CG1-CB 4.17Å; V69-L85 HydrophobicContact CG1-CD1 4.49Å; V69-L85 PolarHBondContact N-O 3.36Å; V69-L85 WeakPolarHBondContact O-CA 3.42Å; V69-L85 WeakPolarHBondContact O-CB 3.04Å; V69-L85 PolarHBondContact O-N 3.29Å; L83-L85 HydrophobicContact CD1-CD2 3.73Å; L83-L85 HydrophobicContact CD1-CG 4.27Å; L83-L85 HydrophobicContact CD2-CD1 4.13Å; L83-L85 HydrophobicContact CD2-CD2 4.28Å; L83-L85 HydrophobicContact CD2-CG 3.96Å; L83-L85 HydrophobicContact CG-CD2 3.97Å; L83-L85 HydrophobicContact CG-CG 3.94Å; L85-P87 WeakPolarHBondContact O-CD 3.46Å; L85-L109 HydrophobicContact CD1-CD1 3.93Å; L85-L109 HydrophobicContact CD1-CD2 4.15Å
86R97.9Very high93Very high26 Ų2671.1 Ų71.110%0.09841%0.406CS..PPolyproline II helixtrans-76.4122.8177-169.4178.4-161.2813.8110S46 G47 W48 A49 A88 Q97 P146 E147 S148 A152S46-R86 PolarHBondContact O-NH2 2.98Å; G47-R86 PolarHBondContact O-NH1 2.98Å; G47-R86 PolarHBondContact O-NH2 2.88Å; W48-R86 PolarHBondContact O-NH2 2.95Å; A49-R86 HydrophobicContact CB-CG 4.23Å; R86-A88 PolarHBondContact O-N 2.91Å; R86-Q97 PolarHBondContact O-NE2 3.41Å; R86-Q97 PolarHBondContact O-OE1 2.95Å; R86-P146 HydrophobicContact CB-CB 4.26Å; R86-P146 HydrophobicContact CG-CB 4.49Å; R86-E147 HydrophobicContact CB-CG 3.58Å; R86-E147 WeakPolarHBondContact CB-OE1 3.32Å; R86-E147 PolarHBondContact N-OE1 3.47Å; R86-E147 PolarHBondContact NH1-O 3.21Å; R86-S148 VanDerWaalsContact NH1-C 3.33Å; R86-A152 HydrophobicContact CB-CB 3.95Å
87P98.1Very high93.2Very high1 Ų169.4 Ų69.41%0.00639%0.388CS..PPolyproline II helixtrans-56.9134169.9-21.428.6000111.8A49 L66 G67 V69 L85 R94 L111A49-P87 HydrophobicContact CB-CB 4.33Å; A49-P87 HydrophobicContact CB-CG 3.95Å; L66-P87 HydrophobicContact CB-CB 3.85Å; L66-P87 HydrophobicContact CB-CG 4.08Å; L66-P87 HydrophobicContact CD1-CB 4.08Å; G67-P87 WeakPolarHBondContact O-CG 3.48Å; V69-P87 HydrophobicContact CG2-CB 4.34Å; V69-P87 HydrophobicContact CG2-CG 4.17Å; L85-P87 WeakPolarHBondContact O-CD 3.46Å; P87-R94 HydrophobicContact CB-CG 4.48Å; P87-L111 HydrophobicContact CB-CD1 4.08Å; P87-L111 HydrophobicContact CG-CD1 3.8Å
88A97.3Very high93.6Very high26 Ų2670.2 Ų70.222%0.21539%0.39CS..PPolyproline II helixtrans-66134.1171.300000110.6R86 A93 R94R86-A88 PolarHBondContact O-N 2.91Å; A88-A93 HydrophobicContact CB-CB 3.82Å; A88-R94 HydrophobicContact CB-CB 4.25Å; A88-R94 WeakPolarHBondContact O-CB 3.45Å; A88-R94 WeakPolarHBondContact O-CD 3.48Å; A88-R94 PolarHBondContact O-NH1 2.75Å; A88-R94 VanDerWaalsContact O-NH1 3.1Å
89I96.5Very high94.3Very high82 Ų8272.9 Ų72.942%0.42139%0.388SS..SBendtrans-68.3-40.1-174.4-50.5-54.3000111.7R51 L66 R94R51-I89 HydrophobicContact CB-CG2 4.09Å; L66-I89 HydrophobicContact CD1-CD1 3.81Å; I89-R94 PolarHBondContact O-NH1 3.28Å
90C96.7Very high95Very high81 Ų8176.1 Ų76.155%0.54738%0.383SS..SBendtrans-73.7127.9173.8174.40000111.2K92 A93 R94C90-K92 PolarHBondContact O-N 2.9Å; C90-A93 HydrophobicContact CB-CB 4.05Å; C90-A93 CarbonylContact O-C 3.56Å; C90-A93 WeakPolarHBondContact O-CA 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.48Å; C90-A93 PolarHBondContact O-N 3.45Å; C90-R94 PolarHBondContact O-N 2.95Å
91D95.9Very high95.5Very high76 Ų7676 Ų7641%0.40638%0.376SS..Hα-helixtrans-59.6-43.6-175.8-64.9-7.3000113A93 R94 Q95D91-A93 PolarHBondContact O-N 2.93Å; D91-R94 PolarHBondContact O-N 3.01Å; D91-R94 VanDerWaalsContact O-N 3.09Å; D91-R94 IonicContact OD1-CZ 2.7Å; D91-R94 IonicContact OD1-NH1 3.17Å; D91-R94 PolarHBondContact OD1-NH1 3Å; D91-R94 IonicContact OD1-NH2 3.47Å; D91-R94 PolarHBondContact OD1-NH2 2.71Å; D91-Q95 WeakPolarHBondContact O-CG 3.31Å; D91-Q95 PolarHBondContact O-N 2.82Å
92K97.1Very high95.8Very high152 Ų15271.8 Ų71.866%0.66135%0.35SS*.Hα-helixtrans-62.7-29.4175.2-167.3170.4-173.5170.70112.5C90 K96C90-K92 PolarHBondContact O-N 2.9Å; K92-K96 WeakPolarHBondContact O-CG 3.49Å; K92-K96 PolarHBondContact O-N 3.14Å
93A96.8Very high95.9Very high42 Ų4268.2 Ų68.235%0.34735%0.347SS..Hα-helixtrans-79.2-35.517300000112.1A88 C90 D91 K96 Q97A88-A93 HydrophobicContact CB-CB 3.82Å; C90-A93 HydrophobicContact CB-CB 4.05Å; C90-A93 CarbonylContact O-C 3.56Å; C90-A93 WeakPolarHBondContact O-CA 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.48Å; C90-A93 PolarHBondContact O-N 3.45Å; D91-A93 PolarHBondContact O-N 2.93Å; A93-K96 CarbonylContact O-C 3.54Å; A93-K96 PolarHBondContact O-N 2.81Å; A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 PolarHBondContact O-N 3.49Å
94R96.9Very high95.9Very high28 Ų2871 Ų7111%0.10636%0.362CS..Hα-helixtrans-70.8-36.4177.9-162.8167.960-95.4-1112.6P87 A88 I89 C90 D91 Q97 Q98 L111P87-R94 HydrophobicContact CB-CG 4.48Å; A88-R94 HydrophobicContact CB-CB 4.25Å; A88-R94 WeakPolarHBondContact O-CB 3.45Å; A88-R94 WeakPolarHBondContact O-CD 3.48Å; A88-R94 PolarHBondContact O-NH1 2.75Å; A88-R94 VanDerWaalsContact O-NH1 3.1Å; I89-R94 PolarHBondContact O-NH1 3.28Å; C90-R94 PolarHBondContact O-N 2.95Å; D91-R94 PolarHBondContact O-N 3.01Å; D91-R94 VanDerWaalsContact O-N 3.09Å; D91-R94 IonicContact OD1-CZ 2.7Å; D91-R94 IonicContact OD1-NH1 3.17Å; D91-R94 PolarHBondContact OD1-NH1 3Å; D91-R94 IonicContact OD1-NH2 3.47Å; D91-R94 PolarHBondContact OD1-NH2 2.71Å; R94-Q97 WeakPolarHBondContact O-CB 3.21Å; R94-Q97 PolarHBondContact O-N 2.75Å; R94-Q98 PolarHBondContact O-N 3.08Å; R94-Q98 VanDerWaalsContact O-N 3.09Å; R94-Q98 PolarHBondContact O-NE2 3.01Å; R94-L111 HydrophobicContact CG-CD2 4.34Å
95Q96.5Very high95.7Very high124 Ų12469.8 Ų69.858%0.57936%0.362SS*.Hα-helixtrans-60.7-45.9168.1-71.5172.5-5.700111D91 Q97 K99D91-Q95 WeakPolarHBondContact O-CG 3.31Å; D91-Q95 PolarHBondContact O-N 2.82Å; Q95-Q97 VanDerWaalsContact C-N 3.26Å; Q95-Q97 PolarHBondContact O-N 3.12Å; Q95-K99 WeakPolarHBondContact O-CG 3.46Å; Q95-K99 PolarHBondContact O-N 3.24Å
96K96.4Very high95.6Very high144 Ų14475.7 Ų75.763%0.62639%0.394SS*.Hα-helixtrans-64.4-26.7173.8-76.1-176.2176.1-167.50113.5K92 A93K92-K96 WeakPolarHBondContact O-CG 3.49Å; K92-K96 PolarHBondContact O-N 3.14Å; A93-K96 CarbonylContact O-C 3.54Å; A93-K96 PolarHBondContact O-N 2.81Å
97Q96.1Very high95.5Very high23 Ų2376.7 Ų76.711%0.10741%0.405CS..Hα-helixtrans-74.4-46.1177.6179.4176.6600112.3R86 A93 R94 Q95 K99 K100R86-Q97 PolarHBondContact O-NE2 3.41Å; R86-Q97 PolarHBondContact O-OE1 2.95Å; A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 PolarHBondContact O-N 3.49Å; R94-Q97 WeakPolarHBondContact O-CB 3.21Å; R94-Q97 PolarHBondContact O-N 2.75Å; Q95-Q97 VanDerWaalsContact C-N 3.26Å; Q95-Q97 PolarHBondContact O-N 3.12Å; Q97-K99 PolarHBondContact O-N 3.31Å; Q97-K100 WeakPolarHBondContact O-CB 3.43Å; Q97-K100 PolarHBondContact O-N 2.87Å
98Q94.7Very high95.4Very high71 Ų7179.8 Ų79.833%0.33243%0.43SS..Hα-helixtrans-63.9-31.2177.1-71.3159.696.500111.9R94 K100 L111R94-Q98 PolarHBondContact O-N 3.08Å; R94-Q98 VanDerWaalsContact O-N 3.09Å; R94-Q98 PolarHBondContact O-NE2 3.01Å; Q98-K100 PolarHBondContact O-N 2.76Å; Q98-L111 HydrophobicContact CG-CB 4.09Å
99K95.5Very high95.4Very high190 Ų19079.2 Ų79.283%0.82642%0.424SS*.THydrogen-bonded Turntrans-74.88172.4-66.7-172.4177.8-166.40114.7Q95 Q97Q95-K99 WeakPolarHBondContact O-CG 3.46Å; Q95-K99 PolarHBondContact O-N 3.24Å; Q97-K99 PolarHBondContact O-N 3.31Å
100K95.4Very high95.4Very high135 Ų13580.2 Ų80.259%0.58743%0.426SS*.SBendtrans-97.9147.8172.5-70.2-172.8176.7-1620111.3Q97 Q98 L109Q97-K100 WeakPolarHBondContact O-CB 3.43Å; Q97-K100 PolarHBondContact O-N 2.87Å; Q98-K100 PolarHBondContact O-N 2.76Å; K100-L109 HydrophobicContact CB-CD1 4.2Å; K100-L109 WeakPolarHBondContact O-CD1 3.07Å; K100-L109 WeakPolarHBondContact O-CG 3.28Å
101A95.6Very high95.5Very high54 Ų5478.1 Ų78.145%0.44641%0.409SS..BIsolated β-bridgetrans-64.6153.3165.500000111.7N106A101-N106 HydrophobicContact CB-CB 4.38Å; A101-N106 WeakPolarHBondContact CB-O 3.38Å
102C94.3Very high95.6Very high0 Ų077.3 Ų77.30%041%0.405CS..PPolyproline II helixtrans-63.4128.5172.8175.40000110.6C71 C75 L83 N104 N106 S107 L109C71-C102 HydrophobicContact CB-CB 4.41Å; C71-C102 VanDerWaalsContact SG-SG 3.61Å; C75-C102 VanDerWaalsContact SG-SG 3.64Å; L83-C102 VanDerWaalsContact CD2-SG 3.57Å; C102-N104 PolarHBondContact O-N 3.37Å; C102-N104 PolarHBondContact SG-N 3.1Å; C102-N106 VanDerWaalsContact O-CA 3.28Å; C102-N106 WeakPolarHBondContact O-CA 3.33Å; C102-N106 PolarHBondContact O-N 3.32Å; C102-N106 PolarHBondContact O-OD1 2.7Å; C102-S107 WeakPolarHBondContact CB-O 3.35Å; C102-S107 PolarHBondContact N-O 3.25Å; C102-L109 HydrophobicContact CB-CD2 4.13Å
103P91.4Very high95.6Very high81 Ų8173 Ų7353%0.52639%0.392SS..THydrogen-bonded Turntrans-68.2-2.1-178.930-37.8000115.1L83L83-P103 HydrophobicContact CD1-CG 4.31Å; L83-P103 HydrophobicContact CD2-CG 4.08Å
104N92.1Very high95.7Very high72 Ų7271.1 Ų71.139%0.38538%0.377SS..THydrogen-bonded Turntrans-111.9-39.1-177.2-171.759.7000112.8C75 A76 L77 C102C75-N104 PolarHBondContact SG-ND2 2.75Å; C75-N104 VanDerWaalsContact SG-ND2 3.4Å; A76-N104 PolarHBondContact O-ND2 3.31Å; L77-N104 HydrophobicContact CD2-CB 4.35Å; C102-N104 PolarHBondContact O-N 3.37Å; C102-N104 PolarHBondContact SG-N 3.1Å
105C92.6Very high95.8Very high51 Ų5177.3 Ų77.335%0.34540%0.4SS..THydrogen-bonded Turntrans-135.57.3-174.462.70000114.4C71 C75 S107C71-C105 PolarHBondContact SG-SG 3.12Å; C75-C105 HydrophobicContact CB-CB 4.08Å; C75-C105 VanDerWaalsContact CB-SG 3.59Å; C75-C105 PolarHBondContact SG-SG 3.38Å; C105-S107 PolarHBondContact O-N 2.84Å; C105-S107 PolarHBondContact SG-OG 3.46Å; C105-S107 VanDerWaalsContact SG-OG 3.38Å
106N94.3Very high95.8Very high131 Ų13172.3 Ų72.370%0.70138%0.382SS*.  trans58.3-1.1-176.9-64.1-38.9000117.8A101 C102A101-N106 HydrophobicContact CB-CB 4.38Å; A101-N106 WeakPolarHBondContact CB-O 3.38Å; C102-N106 VanDerWaalsContact O-CA 3.28Å; C102-N106 WeakPolarHBondContact O-CA 3.33Å; C102-N106 PolarHBondContact O-N 3.32Å; C102-N106 PolarHBondContact O-OD1 2.7Å
107S95Very high95.9Very high47 Ų4767.9 Ų67.933%0.32936%0.363SS..PPolyproline II helixtrans-60.9166.1171.3-46.60000112.9C102 C105C102-S107 WeakPolarHBondContact CB-O 3.35Å; C102-S107 PolarHBondContact N-O 3.25Å; C105-S107 PolarHBondContact O-N 2.84Å; C105-S107 PolarHBondContact SG-OG 3.46Å; C105-S107 VanDerWaalsContact SG-OG 3.38Å
108A96.7Very high95.9Very high66 Ų6671.8 Ų71.855%0.54539%0.393SS..BIsolated β-bridgetrans-60.6151.6179.300000113.7A72A72-A108 HydrophobicContact CB-CB 4.36Å; A72-A108 PolarHBondContact N-O 2.93Å
109L97.2Very high96Very high14 Ų1470.7 Ų70.77%0.07340%0.401CS..EExtended strand (participates in β ladder)trans-101.5130171.6-70.7178000110.8V69 V70 L83 L85 K100 C102V69-L109 HydrophobicContact CG1-CB 4Å; V69-L109 HydrophobicContact CG1-CD1 4.42Å; V69-L109 HydrophobicContact CG1-CD2 4.34Å; V69-L109 HydrophobicContact CG1-CG 4.5Å; V70-L109 WeakPolarHBondContact O-CA 3.23Å; V70-L109 WeakPolarHBondContact O-CD2 3.47Å; L83-L109 HydrophobicContact CD2-CD2 4.05Å; L85-L109 HydrophobicContact CD1-CD1 3.93Å; L85-L109 HydrophobicContact CD1-CD2 4.15Å; K100-L109 HydrophobicContact CB-CD1 4.2Å; K100-L109 WeakPolarHBondContact O-CD1 3.07Å; K100-L109 WeakPolarHBondContact O-CG 3.28Å; C102-L109 HydrophobicContact CB-CD2 4.13Å
110E97Very high96.1Very high103 Ų10369.9 Ų69.948%0.48139%0.394SS..EExtended strand (participates in β ladder)trans-113.6144.6-178-176.2175.7179.400110.5V69 V70 A72V69-E110 CarbonylContact C-O 2.97Å; V69-E110 WeakPolarHBondContact CA-O 3.34Å; V70-E110 HydrophobicContact CG2-CB 4.27Å; V70-E110 PolarHBondContact N-O 3.13Å; V70-E110 PolarHBondContact O-N 3.35Å; A72-E110 HydrophobicContact CB-CB 4.48Å
111L97.9Very high96.2Very high36 Ų3665.2 Ų65.219%0.18838%0.378CS..EExtended strand (participates in β ladder)trans-100.8108.5172.7175.266.7000109.3V69 P87 R94 Q98 P113V69-L111 HydrophobicContact CG2-CB 4.29Å; V69-L111 HydrophobicContact CG2-CD1 3.69Å; P87-L111 HydrophobicContact CB-CD1 4.08Å; P87-L111 HydrophobicContact CG-CD1 3.8Å; R94-L111 HydrophobicContact CG-CD2 4.34Å; Q98-L111 HydrophobicContact CG-CB 4.09Å; L111-P113 VanDerWaalsContact O-CD 3.28Å; L111-P113 WeakPolarHBondContact O-CD 3.28Å
112I97.9Very high96.4Very high60 Ų6062.7 Ų62.731%0.30836%0.356SS..EExtended strand (participates in β ladder)trans-78.7112.9166.2-62.5175000106.8G67 V68 V70 H143G67-I112 VanDerWaalsContact CA-O 3.28Å; G67-I112 WeakPolarHBondContact CA-O 3.4Å; V68-I112 HydrophobicContact CG1-CB 4.11Å; V68-I112 PolarHBondContact N-O 2.94Å; V68-I112 PolarHBondContact O-N 2.83Å; V70-I112 HydrophobicContact CG1-CD1 4.01Å; V70-I112 HydrophobicContact CG2-CD1 3.78Å; V70-I112 HydrophobicContact CG2-CG1 4.02Å; I112-H143 HydrophobicContact CG2-CB 4.13Å
113P98.3Very high96.6Very high61 Ų6163.3 Ų63.340%0.39636%0.36SS..  trans-78.2146.5177.533.8-34.4000110.5L111L111-P113 VanDerWaalsContact O-CD 3.28Å; L111-P113 WeakPolarHBondContact O-CD 3.28Å
114C98.5Very high96.9Very high3 Ų359.4 Ų59.42%0.0234%0.335CS..  trans-72.7133.6170.4-178.80000111C65 P121 V122 D142C65-C114 HydrophobicContact CB-CB 3.78Å; C114-P121 HydrophobicContact CB-CB 4.22Å; C114-P121 VanDerWaalsContact O-CA 3.25Å; C114-P121 WeakPolarHBondContact O-CA 3.49Å; C114-P121 WeakPolarHBondContact O-CB 3.28Å; C114-P121 WeakPolarHBondContact O-CG 3.19Å; C114-V122 PolarHBondContact SG-N 3.36Å; C114-D142 WeakPolarHBondContact CA-OD1 3.18Å; C114-D142 PolarHBondContact SG-OD1 2.68Å
115R98.3Very high97.2Very high157 Ų15756.8 Ų56.859%0.59232%0.32SS*.  trans-132.511.1175.5-62.6-175.2174.5168.7-1.9113H117 G119 Y120 D142R115-H117 PolarHBondContact O-N 2.87Å; R115-G119 WeakPolarHBondContact CB-O 3.28Å; R115-G119 WeakPolarHBondContact CG-O 3.46Å; R115-G119 CarbonylContact O-C 3.5Å; R115-G119 VanDerWaalsContact O-CA 3.29Å; R115-G119 WeakPolarHBondContact O-CA 3.32Å; R115-G119 PolarHBondContact O-N 3.46Å; R115-Y120 CarbonylContact C-O 3.53Å; R115-Y120 VanDerWaalsContact CA-O 3.27Å; R115-Y120 WeakPolarHBondContact CA-O 3.48Å; R115-Y120 VanDerWaalsContact O-O 3.14Å; R115-D142 WeakPolarHBondContact CA-OD2 3.32Å; R115-D142 WeakPolarHBondContact CB-OD2 3.3Å; R115-D142 PolarHBondContact N-OD1 2.75Å; R115-D142 PolarHBondContact N-OD2 2.92Å
116G97.6Very high97.4Very high20 Ų2054.5 Ų54.521%0.20631%0.305CS..THydrogen-bonded Turntrans-60.62.4-175.600000119Y120 G139 V140 D142G116-Y120 PolarHBondContact N-O 2.84Å; G116-G139 CarbonylContact O-C 3.54Å; G116-G139 VanDerWaalsContact O-CA 3.31Å; G116-G139 WeakPolarHBondContact O-CA 3.48Å; G116-V140 CarbonylContact C-O 3.43Å; G116-V140 WeakPolarHBondContact CA-O 3.31Å; G116-V140 PolarHBondContact O-N 2.67Å; G116-D142 PolarHBondContact N-OD1 2.82Å; G116-D142 PolarHBondContact N-OD2 2.8Å
117H97.4Very high97.6Very high51 Ų5149.1 Ų49.124%0.23627%0.274CS..BIsolated β-bridgetrans-122.180.5172.2-171.733.7000109.6Y29 R115 G119 Y120Y29-H117 AromaticContact CE1-CE1 3.89Å; Y29-H117 AromaticContact CE1-ND1 3.92Å; Y29-H117 AromaticContact CZ-ND1 3.87Å; Y29-H117 PolarHBondContact OH-ND1 2.92Å; R115-H117 PolarHBondContact O-N 2.87Å; H117-G119 VanDerWaalsContact C-N 3.29Å; H117-G119 PolarHBondContact O-N 3.43Å; H117-Y120 WeakPolarHBondContact CA-O 3.41Å; H117-Y120 WeakPolarHBondContact CB-O 3.46Å; H117-Y120 PolarHBondContact N-O 3.28Å; H117-Y120 WeakPolarHBondContact O-CB 3.39Å; H117-Y120 PolarHBondContact O-N 3.19Å
118S96.3Very high97.6Very high104 Ų10452 Ų5273%0.72729%0.286SS*.THydrogen-bonded Turntrans53.940.2178.6-530000114.1
119G96.8Very high97.5Very high49 Ų4950.9 Ų50.951%0.50527%0.27SS..THydrogen-bonded Turntrans93.4-16.4-176.200000114.3R115 H117R115-G119 WeakPolarHBondContact CB-O 3.28Å; R115-G119 WeakPolarHBondContact CG-O 3.46Å; R115-G119 CarbonylContact O-C 3.5Å; R115-G119 VanDerWaalsContact O-CA 3.29Å; R115-G119 WeakPolarHBondContact O-CA 3.32Å; R115-G119 PolarHBondContact O-N 3.46Å; H117-G119 VanDerWaalsContact C-N 3.29Å; H117-G119 PolarHBondContact O-N 3.43Å
120Y97.8Very high97.2Very high172 Ų17252.8 Ų52.868%0.67529%0.294SS*.BIsolated β-bridgetrans-95.7158175.4-58-84.2000111.5R115 G116 H117R115-Y120 CarbonylContact C-O 3.53Å; R115-Y120 VanDerWaalsContact CA-O 3.27Å; R115-Y120 WeakPolarHBondContact CA-O 3.48Å; R115-Y120 VanDerWaalsContact O-O 3.14Å; G116-Y120 PolarHBondContact N-O 2.84Å; H117-Y120 WeakPolarHBondContact CA-O 3.41Å; H117-Y120 WeakPolarHBondContact CB-O 3.46Å; H117-Y120 PolarHBondContact N-O 3.28Å; H117-Y120 WeakPolarHBondContact O-CB 3.39Å; H117-Y120 PolarHBondContact O-N 3.19Å
121P98.2Very high96.9Very high38 Ų3855.5 Ų55.525%0.24730%0.304CS..PPolyproline II helixtrans-62.3143.6176.5-18.630000112.2C65 C114 T123C65-P121 WeakPolarHBondContact O-CB 3.45Å; C114-P121 HydrophobicContact CB-CB 4.22Å; C114-P121 VanDerWaalsContact O-CA 3.25Å; C114-P121 WeakPolarHBondContact O-CA 3.49Å; C114-P121 WeakPolarHBondContact O-CB 3.28Å; C114-P121 WeakPolarHBondContact O-CG 3.19Å; P121-T123 PolarHBondContact O-N 2.88Å
122V98.6Very high96.8Very high0 Ų053.9 Ų53.90%030%0.296CS..PPolyproline II helixtrans-53138.1170.5177.90000109.9C65 C114 H141C65-V122 PolarHBondContact N-O 2.89Å; C114-V122 PolarHBondContact SG-N 3.36Å; V122-H141 WeakPolarHBondContact CG1-NE2 3.22Å
123T98.2Very high96.7Very high13 Ų1351.2 Ų51.28%0.0828%0.282CS..EExtended strand (participates in β ladder)trans-121.2137.4-176.953.40000112.5K63 P121 F125 A137 K138K63-T123 CarbonylContact O-C 3.42Å; K63-T123 VanDerWaalsContact O-CA 3.27Å; K63-T123 WeakPolarHBondContact O-CA 3.43Å; P121-T123 PolarHBondContact O-N 2.88Å; T123-F125 VanDerWaalsContact OG1-CE2 3.29Å; T123-F125 WeakPolarHBondContact OG1-CE2 3.38Å; T123-A137 CarbonylContact O-C 3.53Å; T123-A137 WeakPolarHBondContact O-CA 3.37Å; T123-K138 PolarHBondContact N-O 3.24Å; T123-K138 PolarHBondContact O-N 3.46Å
124N98.3Very high96.7Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-112.9139173.6-65.716.2000108.9M50 K63 F135 Q136M50-N124 HydrophobicContact CE-CB 4.09Å; M50-N124 WeakPolarHBondContact CE-OD1 3.47Å; K63-N124 PolarHBondContact N-O 3.09Å; K63-N124 PolarHBondContact O-N 3.42Å; N124-F135 HydrophobicContact CB-CE2 3.78Å; N124-F135 HydrophobicContact CB-CZ 4.17Å; N124-F135 WeakPolarHBondContact ND2-CE2 3.39Å; N124-F135 WeakPolarHBondContact ND2-CZ 3.43Å; N124-Q136 CarbonylContact C-O 3.58Å; N124-Q136 WeakPolarHBondContact CA-O 3.38Å
125F98.2Very high96.7Very high17 Ų1748.3 Ų48.38%0.07526%0.263CS..EExtended strand (participates in β ladder)trans-122.1138.2177.7-56.1-102.5000107.8I7 I60 K62 T123 F135 Q136 K138I7-F125 HydrophobicContact CD1-CB 3.75Å; I7-F125 WeakPolarHBondContact CD1-O 3.47Å; I7-F125 HydrophobicContact CG2-CB 3.77Å; I7-F125 HydrophobicContact CG2-CG 4.19Å; I60-F125 HydrophobicContact CG2-CB 4.01Å; I60-F125 HydrophobicContact CG2-CD1 3.94Å; I60-F125 HydrophobicContact CG2-CG 4.49Å; K62-F125 HydrophobicContact CB-CD1 4.12Å; K62-F125 HydrophobicContact CB-CE1 4.27Å; K62-F125 HydrophobicContact CD-CD1 4.41Å; K62-F125 HydrophobicContact CD-CE1 3.71Å; K62-F125 HydrophobicContact CD-CZ 4.23Å; K62-F125 HydrophobicContact CG-CD1 4.02Å; K62-F125 HydrophobicContact CG-CE1 3.76Å; K62-F125 HydrophobicContact CG-CZ 4.31Å; T123-F125 VanDerWaalsContact OG1-CE2 3.29Å; T123-F125 WeakPolarHBondContact OG1-CE2 3.38Å; F125-F135 WeakPolarHBondContact O-CA 3.39Å; F125-Q136 PolarHBondContact N-O 2.92Å; F125-Q136 PolarHBondContact O-N 2.79Å; F125-K138 HydrophobicContact CD2-CG 4.48Å; F125-K138 HydrophobicContact CE2-CB 4.35Å; F125-K138 HydrophobicContact CE2-CD 3.81Å; F125-K138 HydrophobicContact CE2-CG 3.94Å; F125-K138 HydrophobicContact CZ-CD 4.37Å
126W98.1Very high96.6Very high3 Ų341.2 Ų41.21%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-131136.1177.6-51.473.4000109.4F22 Y34 A41 H44 L45 I60 L61 I133 F134 F135F22-W126 HydrophobicContact CE2-CH2 4.24Å; Y34-W126 HydrophobicContact CD2-CZ3 4.04Å; Y34-W126 HydrophobicContact CE2-CH2 4.25Å; Y34-W126 AromaticContact CE2-CZ3 3.69Å; Y34-W126 HydrophobicContact CE2-CZ3 3.69Å; A41-W126 HydrophobicContact CB-CZ3 4.39Å; H44-W126 HydrophobicContact CB-CD2 3.8Å; H44-W126 HydrophobicContact CB-CE3 4.17Å; H44-W126 HydrophobicContact CB-CG 4.1Å; H44-W126 HydrophobicContact CB-CZ2 4.32Å; H44-W126 VanDerWaalsContact CD2-CB 3.43Å; H44-W126 WeakPolarHBondContact CD2-CB 3.24Å; H44-W126 AromaticContact CD2-CD2 3.61Å; H44-W126 AromaticContact CD2-CE3 3.64Å; H44-W126 AromaticContact CD2-CG 3.56Å; L45-W126 VanDerWaalsContact O-CH2 3.26Å; L45-W126 WeakPolarHBondContact O-CH2 3.38Å; L45-W126 VanDerWaalsContact O-CZ2 3.28Å; L45-W126 WeakPolarHBondContact O-CZ2 3.34Å; I60-W126 CarbonylContact C-O 3.5Å; I60-W126 WeakPolarHBondContact CA-O 3.17Å; L61-W126 HydrophobicContact CB-CB 4.3Å; L61-W126 PolarHBondContact N-O 3.09Å; L61-W126 PolarHBondContact O-N 3.23Å; L61-W126 VanDerWaalsContact O-N 3.13Å; W126-I133 HydrophobicContact CE3-CG2 4.07Å; W126-F134 WeakPolarHBondContact CA-O 3.48Å; W126-F135 AromaticContact CD2-CD2 3.65Å; W126-F135 HydrophobicContact CD2-CD2 3.65Å; W126-F135 HydrophobicContact CD2-CE2 4.26Å; W126-F135 AromaticContact CE2-CD2 3.55Å; W126-F135 AromaticContact CE2-CE2 3.68Å; W126-F135 HydrophobicContact CE3-CB 4.37Å; W126-F135 AromaticContact CE3-CD2 3.74Å; W126-F135 HydrophobicContact CE3-CD2 3.74Å; W126-F135 HydrophobicContact CG-CD2 4.36Å; W126-F135 AromaticContact CH2-CD2 3.7Å; W126-F135 HydrophobicContact CH2-CD2 3.7Å; W126-F135 AromaticContact CH2-CE2 3.96Å; W126-F135 HydrophobicContact CH2-CE2 3.96Å; W126-F135 AromaticContact CZ2-CD2 3.6Å; W126-F135 HydrophobicContact CZ2-CD2 3.6Å; W126-F135 AromaticContact CZ2-CE2 3.53Å; W126-F135 HydrophobicContact CZ2-CE2 3.53Å; W126-F135 AromaticContact CZ3-CD2 3.77Å; W126-F135 HydrophobicContact CZ3-CD2 3.77Å; W126-F135 HydrophobicContact CZ3-CE2 4.48Å; W126-F135 HydrophobicContact CZ3-CG 4.47Å
127R97.3Very high96.6Very high17 Ų1740.2 Ų40.26%0.06423%0.226CC..EExtended strand (participates in β ladder)trans-141.2122.9175.4174.3162.9161-161.31.2109I7 D9 P10 L12 Q59 I60 F134I7-R127 HydrophobicContact CD1-CB 3.97Å; I7-R127 HydrophobicContact CG1-CB 3.82Å; I7-R127 PolarHBondContact O-NH1 3.04Å; I7-R127 VanDerWaalsContact O-NH1 3.13Å; D9-R127 PolarHBondContact O-NH1 2.75Å; P10-R127 PolarHBondContact O-NH2 3.06Å; L12-R127 HydrophobicContact CD1-CB 4.42Å; L12-R127 HydrophobicContact CD1-CG 3.94Å; Q59-R127 WeakPolarHBondContact O-CG 3.48Å; I60-R127 HydrophobicContact CG1-CB 4.41Å; R127-F134 PolarHBondContact N-O 3.45Å; R127-F134 PolarHBondContact O-N 3.43Å
128L95.5Very high96.6Very high109 Ų10939.9 Ų39.957%0.57122%0.224SC*.EExtended strand (participates in β ladder)trans-81.9127.2167.3175.668000107.5A132 I133L128-A132 WeakPolarHBondContact CA-O 3.44Å; L128-I133 HydrophobicContact CD1-CG1 3.73Å
129D93.9Very high96.7Very high41 Ų4135 Ų3522%0.21919%0.19CC..EExtended strand (participates in β ladder)trans-142128.3170.9-163.217.2000109.1L12 Q14 K131 A132 F134L12-D129 HydrophobicContact CD1-CB 4.36Å; Q14-D129 PolarHBondContact NE2-OD2 2.93Å; D129-K131 PolarHBondContact O-N 2.88Å; D129-K131 VanDerWaalsContact O-N 3.13Å; D129-A132 PolarHBondContact N-O 3.29Å; D129-A132 PolarHBondContact O-N 3.37Å; D129-A132 VanDerWaalsContact O-O 3.07Å; D129-F134 HydrophobicContact CB-CD2 4.23Å; D129-F134 HydrophobicContact CB-CE2 4.09Å
130G90.8Very high96.7Very high55 Ų5536.4 Ų36.457%0.56719%0.189SC*.THydrogen-bonded Turntrans49.5-116.4-171.500000113.7
131K91.7Very high96.8Very high160 Ų16029.1 Ų29.170%0.69616%0.161SC*.THydrogen-bonded Turntrans-102.120.5179.8-61.2176.4-175.1169.70113.3S36 D129S36-K131 PolarHBondContact N-O 3.17Å; S36-K131 VanDerWaalsContact OG-C 3.31Å; S36-K131 VanDerWaalsContact OG-CA 3.29Å; S36-K131 WeakPolarHBondContact OG-CA 3.48Å; S36-K131 PolarHBondContact OG-O 3.41Å; S36-K131 VanDerWaalsContact OG-O 3.05Å; D129-K131 PolarHBondContact O-N 2.88Å; D129-K131 VanDerWaalsContact O-N 3.13Å
132A95.3Very high96.7Very high2 Ų231 Ų312%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-136.3139.3-170.800000112.4P16 F19 V33 Y34 L128 D129 F134P16-A132 HydrophobicContact CG-CB 3.84Å; F19-A132 HydrophobicContact CE1-CB 4.04Å; V33-A132 HydrophobicContact CG1-CB 3.91Å; Y34-A132 WeakPolarHBondContact O-CA 3.06Å; L128-A132 WeakPolarHBondContact CA-O 3.44Å; D129-A132 PolarHBondContact N-O 3.29Å; D129-A132 PolarHBondContact O-N 3.37Å; D129-A132 VanDerWaalsContact O-O 3.07Å; A132-F134 HydrophobicContact CB-CD2 4.15Å; A132-F134 HydrophobicContact CB-CE2 3.53Å; A132-F134 HydrophobicContact CB-CZ 3.98Å
133I96.9Very high96.7Very high4 Ų431.6 Ų31.62%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-107.897.9174.1-59.1172.5000107.3Y34 A41 Q42 W126 L128Y34-I133 PolarHBondContact N-O 2.99Å; Y34-I133 PolarHBondContact O-N 2.9Å; A41-I133 HydrophobicContact CB-CB 4.38Å; A41-I133 HydrophobicContact CB-CD1 3.93Å; A41-I133 HydrophobicContact CB-CG2 4.26Å; Q42-I133 HydrophobicContact CB-CD1 4.43Å; Q42-I133 HydrophobicContact CG-CD1 4.02Å; W126-I133 HydrophobicContact CE3-CG2 4.07Å; L128-I133 HydrophobicContact CD1-CG1 3.73Å
134F97.1Very high96.6Very high2 Ų233.6 Ų33.61%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-73.7132.7176.4-67.1-91.5000110W5 I7 L12 P13 V33 W126 R127 D129 A132W5-F134 AromaticContact CD2-CD1 3.99Å; W5-F134 HydrophobicContact CD2-CD1 3.99Å; W5-F134 HydrophobicContact CD2-CE1 4.36Å; W5-F134 AromaticContact CE2-CD1 3.79Å; W5-F134 HydrophobicContact CE3-CD1 4.04Å; W5-F134 HydrophobicContact CH2-CB 4.07Å; W5-F134 AromaticContact CH2-CD1 3.8Å; W5-F134 HydrophobicContact CH2-CD1 3.8Å; W5-F134 HydrophobicContact CH2-CG 4.45Å; W5-F134 AromaticContact CZ2-CD1 3.73Å; W5-F134 HydrophobicContact CZ2-CD1 3.73Å; W5-F134 HydrophobicContact CZ2-CE1 4.42Å; W5-F134 HydrophobicContact CZ3-CB 4.08Å; W5-F134 AromaticContact CZ3-CD1 3.95Å; W5-F134 HydrophobicContact CZ3-CD1 3.95Å; W5-F134 HydrophobicContact CZ3-CG 4.49Å; I7-F134 HydrophobicContact CD1-CB 4.43Å; I7-F134 WeakPolarHBondContact CD1-O 3.14Å; I7-F134 HydrophobicContact CG1-CB 4.4Å; L12-F134 HydrophobicContact CB-CD2 4.2Å; L12-F134 HydrophobicContact CB-CE1 4.21Å; L12-F134 HydrophobicContact CB-CE2 3.84Å; L12-F134 HydrophobicContact CB-CZ 3.87Å; L12-F134 HydrophobicContact CD1-CB 4.02Å; L12-F134 HydrophobicContact CD1-CD1 4.26Å; L12-F134 HydrophobicContact CD1-CD2 3.58Å; L12-F134 HydrophobicContact CD1-CE2 4.1Å; L12-F134 HydrophobicContact CD1-CG 3.68Å; L12-F134 HydrophobicContact CG-CD2 4.47Å; P13-F134 WeakPolarHBondContact O-CZ 3.4Å; V33-F134 HydrophobicContact CB-CE1 4.48Å; V33-F134 HydrophobicContact CG1-CD1 4.15Å; V33-F134 HydrophobicContact CG1-CE1 3.87Å; V33-F134 HydrophobicContact CG1-CZ 4.12Å; V33-F134 HydrophobicContact CG2-CD1 3.79Å; V33-F134 HydrophobicContact CG2-CE1 3.74Å; W126-F134 WeakPolarHBondContact CA-O 3.48Å; R127-F134 PolarHBondContact N-O 3.45Å; R127-F134 PolarHBondContact O-N 3.43Å; D129-F134 HydrophobicContact CB-CD2 4.23Å; D129-F134 HydrophobicContact CB-CE2 4.09Å; A132-F134 HydrophobicContact CB-CD2 4.15Å; A132-F134 HydrophobicContact CB-CE2 3.53Å; A132-F134 HydrophobicContact CB-CZ 3.98Å
135F97.8Very high96.5Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-127.7135.1-178.7171.7-91.4000110.7W5 P26 V30 R31 L32 Y34 N124 F125 W126 A137W5-F135 WeakPolarHBondContact CH2-O 3.41Å; P26-F135 HydrophobicContact CB-CE1 3.59Å; P26-F135 HydrophobicContact CB-CZ 3.54Å; P26-F135 HydrophobicContact CG-CE1 4.11Å; P26-F135 HydrophobicContact CG-CE2 4.37Å; P26-F135 HydrophobicContact CG-CZ 3.53Å; V30-F135 HydrophobicContact CG2-CE1 4.09Å; R31-F135 CarbonylContact C-O 3.52Å; R31-F135 WeakPolarHBondContact CA-O 3.36Å; L32-F135 HydrophobicContact CB-CB 4.29Å; L32-F135 HydrophobicContact CB-CD1 4.05Å; L32-F135 HydrophobicContact CD1-CD1 3.86Å; L32-F135 HydrophobicContact CD1-CE1 4.21Å; L32-F135 HydrophobicContact CG-CD1 4.15Å; L32-F135 PolarHBondContact N-O 3.31Å; L32-F135 PolarHBondContact O-N 3Å; Y34-F135 HydrophobicContact CD2-CB 4.12Å; Y34-F135 HydrophobicContact CE2-CB 3.62Å; Y34-F135 HydrophobicContact CE2-CD2 4.42Å; Y34-F135 AromaticContact CE2-CG 3.95Å; Y34-F135 HydrophobicContact CE2-CG 3.95Å; N124-F135 HydrophobicContact CB-CE2 3.78Å; N124-F135 HydrophobicContact CB-CZ 4.17Å; N124-F135 WeakPolarHBondContact ND2-CE2 3.39Å; N124-F135 WeakPolarHBondContact ND2-CZ 3.43Å; F125-F135 WeakPolarHBondContact O-CA 3.39Å; W126-F135 AromaticContact CD2-CD2 3.65Å; W126-F135 HydrophobicContact CD2-CD2 3.65Å; W126-F135 HydrophobicContact CD2-CE2 4.26Å; W126-F135 AromaticContact CE2-CD2 3.55Å; W126-F135 AromaticContact CE2-CE2 3.68Å; W126-F135 HydrophobicContact CE3-CB 4.37Å; W126-F135 AromaticContact CE3-CD2 3.74Å; W126-F135 HydrophobicContact CE3-CD2 3.74Å; W126-F135 HydrophobicContact CG-CD2 4.36Å; W126-F135 AromaticContact CH2-CD2 3.7Å; W126-F135 HydrophobicContact CH2-CD2 3.7Å; W126-F135 AromaticContact CH2-CE2 3.96Å; W126-F135 HydrophobicContact CH2-CE2 3.96Å; W126-F135 AromaticContact CZ2-CD2 3.6Å; W126-F135 HydrophobicContact CZ2-CD2 3.6Å; W126-F135 AromaticContact CZ2-CE2 3.53Å; W126-F135 HydrophobicContact CZ2-CE2 3.53Å; W126-F135 AromaticContact CZ3-CD2 3.77Å; W126-F135 HydrophobicContact CZ3-CD2 3.77Å; W126-F135 HydrophobicContact CZ3-CE2 4.48Å; W126-F135 HydrophobicContact CZ3-CG 4.47Å; F135-A137 HydrophobicContact CE1-CB 4.09Å; F135-A137 HydrophobicContact CZ-CB 4.09Å
136Q97.5Very high96.5Very high8 Ų839.3 Ų39.34%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-137.2134.5171.8-175.4175.538.700111.2D6 I7 V30 R31 N124 F125 K138D6-Q136 PolarHBondContact OD1-OE1 3.37Å; D6-Q136 PolarHBondContact OD2-NE2 2.95Å; D6-Q136 PolarHBondContact OD2-OE1 2.73Å; I7-Q136 HydrophobicContact CB-CB 4.3Å; I7-Q136 HydrophobicContact CD1-CB 4.46Å; I7-Q136 HydrophobicContact CG2-CB 4.34Å; V30-Q136 WeakPolarHBondContact O-CA 3.36Å; R31-Q136 HydrophobicContact CG-CB 4.39Å; R31-Q136 HydrophobicContact CG-CG 3.92Å; R31-Q136 VanDerWaalsContact NE-NE2 3.11Å; N124-Q136 CarbonylContact C-O 3.58Å; N124-Q136 WeakPolarHBondContact CA-O 3.38Å; F125-Q136 PolarHBondContact N-O 2.92Å; F125-Q136 PolarHBondContact O-N 2.79Å; Q136-K138 HydrophobicContact CG-CG 4.37Å; Q136-K138 VanDerWaalsContact NE2-CE 3.3Å
137A97.6Very high96.3Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-104.1149.9166.500000111G28 Y29 V30 T123 F135G28-A137 VanDerWaalsContact O-CB 3.24Å; G28-A137 WeakPolarHBondContact O-CB 3.49Å; Y29-A137 WeakPolarHBondContact CA-O 3.29Å; V30-A137 HydrophobicContact CG2-CB 3.82Å; V30-A137 PolarHBondContact O-N 3.31Å; T123-A137 CarbonylContact O-C 3.53Å; T123-A137 WeakPolarHBondContact O-CA 3.37Å; F135-A137 HydrophobicContact CE1-CB 4.09Å; F135-A137 HydrophobicContact CZ-CB 4.09Å
138K97.1Very high96.1Very high44 Ų4440.2 Ų40.219%0.19121%0.213CC..EExtended strand (participates in β ladder)trans-137.1115.1174-58.9-170.9-175.6-171.20109.6D6 Y29 T123 F125 Q136D6-K138 IonicContact OD1-NZ 3.55Å; D6-K138 PolarHBondContact OD1-NZ 2.78Å; D6-K138 IonicContact OD2-NZ 2.74Å; Y29-K138 HydrophobicContact CD1-CB 4.12Å; Y29-K138 HydrophobicContact CD1-CG 4.4Å; Y29-K138 HydrophobicContact CE1-CB 4.04Å; T123-K138 PolarHBondContact N-O 3.24Å; T123-K138 PolarHBondContact O-N 3.46Å; F125-K138 HydrophobicContact CD2-CG 4.48Å; F125-K138 HydrophobicContact CE2-CB 4.35Å; F125-K138 HydrophobicContact CE2-CD 3.81Å; F125-K138 HydrophobicContact CE2-CG 3.94Å; F125-K138 HydrophobicContact CZ-CD 4.37Å; Q136-K138 HydrophobicContact CG-CG 4.37Å; Q136-K138 VanDerWaalsContact NE2-CE 3.3Å
139G97.5Very high95.9Very high0 Ų040 Ų400%021%0.207CC..SBendtrans109.9166.2-173.700000113.9G28 Y29 G116G28-G139 CarbonylContact C-O 3.58Å; G28-G139 VanDerWaalsContact C-O 3.23Å; G28-G139 WeakPolarHBondContact CA-O 3.49Å; G28-G139 PolarHBondContact N-O 2.6Å; Y29-G139 VanDerWaalsContact CE1-N 3.25Å; G116-G139 CarbonylContact O-C 3.54Å; G116-G139 VanDerWaalsContact O-CA 3.31Å; G116-G139 WeakPolarHBondContact O-CA 3.48Å
140V98.2Very high95.7Very high80 Ų8044.5 Ų44.549%0.48523%0.231SC..  trans-117.9132.6175.6175.50000108.7D27 G116 D142D27-V140 WeakPolarHBondContact OD1-CA 3.11Å; G116-V140 CarbonylContact C-O 3.43Å; G116-V140 WeakPolarHBondContact CA-O 3.31Å; G116-V140 PolarHBondContact O-N 2.67Å; V140-D142 PolarHBondContact O-N 2.96Å
141H98.3Very high95.7Very high18 Ų1847.2 Ų47.28%0.08323%0.229CC..  trans-67.9117-174.3-77.3-90.7000113.2D27 W48 C65 V122 H143D27-H141 IonicContact OD1-CD2 3.35Å; D27-H141 PolarHBondContact OD1-CD2 2.74Å; D27-H141 PolarHBondContact OD1-N 2.75Å; W48-H141 AromaticContact CD1-CD2 3.95Å; W48-H141 AromaticContact CD1-CE1 3.92Å; W48-H141 AromaticContact CD1-NE2 3.44Å; W48-H141 AromaticContact CD2-CD2 3.85Å; W48-H141 AromaticContact CD2-CE1 3.57Å; W48-H141 AromaticContact CD2-CG 3.82Å; W48-H141 AromaticContact CD2-ND1 3.65Å; W48-H141 AromaticContact CD2-NE2 3.7Å; W48-H141 AromaticContact CE2-CD2 3.32Å; W48-H141 AromaticContact CE2-CE1 3.89Å; W48-H141 AromaticContact CE2-CG 3.51Å; W48-H141 AromaticContact CE2-ND1 3.87Å; W48-H141 AromaticContact CE2-NE2 3.59Å; W48-H141 AromaticContact CE3-CE1 3.96Å; W48-H141 AromaticContact CE3-CG 3.99Å; W48-H141 AromaticContact CE3-ND1 3.65Å; W48-H141 AromaticContact CG-CE1 3.6Å; W48-H141 AromaticContact CG-NE2 3.6Å; W48-H141 HydrophobicContact CH2-CB 3.33Å; W48-H141 AromaticContact CH2-CG 3.58Å; W48-H141 HydrophobicContact CZ2-CB 3.48Å; W48-H141 VanDerWaalsContact CZ2-CB 3.48Å; W48-H141 AromaticContact CZ2-CD2 3.53Å; W48-H141 AromaticContact CZ2-CG 3.4Å; W48-H141 VanDerWaalsContact CZ2-CG 3.4Å; W48-H141 HydrophobicContact CZ3-CB 3.91Å; W48-H141 AromaticContact CZ3-CG 3.88Å; W48-H141 AromaticContact CZ3-ND1 3.84Å; W48-H141 AromaticContact NE1-CD2 3.41Å; W48-H141 PolarHBondContact NE1-CD2 3.46Å; W48-H141 AromaticContact NE1-NE2 3.42Å; W48-H141 PolarHBondContact NE1-NE2 2.91Å; C65-H141 VanDerWaalsContact SG-CE1 3.53Å; V122-H141 WeakPolarHBondContact CG1-NE2 3.22Å; H141-H143 VanDerWaalsContact C-N 3.3Å; H141-H143 AromaticContact ND1-CD2 3.99Å; H141-H143 AromaticContact ND1-CE1 3.79Å; H141-H143 AromaticContact ND1-NE2 3.09Å; H141-H143 PolarHBondContact ND1-NE2 3.43Å; H141-H143 PolarHBondContact O-N 3.11Å
142D97.8Very high95.6Very high78 Ų7839.6 Ų39.642%0.41720%0.195SC..  trans-89.416.4-175.662.3-45.9000114C114 R115 G116 V140C114-D142 WeakPolarHBondContact CA-OD1 3.18Å; C114-D142 PolarHBondContact SG-OD1 2.68Å; R115-D142 WeakPolarHBondContact CA-OD2 3.32Å; R115-D142 WeakPolarHBondContact CB-OD2 3.3Å; R115-D142 PolarHBondContact N-OD1 2.75Å; R115-D142 PolarHBondContact N-OD2 2.92Å; G116-D142 PolarHBondContact N-OD1 2.82Å; G116-D142 PolarHBondContact N-OD2 2.8Å; V140-D142 PolarHBondContact O-N 2.96Å
143H97.4Very high95.4Very high13 Ų1344.1 Ų44.16%0.0622%0.216CC..SBendtrans-146.6155-174.166.183.7000110.7W48 V68 I112 H141W48-H143 AromaticContact CE3-CE1 3.56Å; W48-H143 AromaticContact CZ3-CE1 3.38Å; W48-H143 WeakPolarHBondContact CZ3-CE1 3.36Å; W48-H143 AromaticContact CZ3-ND1 3.89Å; V68-H143 HydrophobicContact CG1-CB 3.92Å; I112-H143 HydrophobicContact CG2-CB 4.13Å; H141-H143 VanDerWaalsContact C-N 3.3Å; H141-H143 AromaticContact ND1-CD2 3.99Å; H141-H143 AromaticContact ND1-CE1 3.79Å; H141-H143 AromaticContact ND1-NE2 3.09Å; H141-H143 PolarHBondContact ND1-NE2 3.43Å; H141-H143 PolarHBondContact O-N 3.11Å
144P96.3Very high95.1Very high55 Ų5546.9 Ų46.936%0.35724%0.24SC..PPolyproline II helixtrans-61.815317722.6-30.6000112V68 Q84V68-P144 HydrophobicContact CG1-CG 4.01Å; Q84-P144 HydrophobicContact CG-CB 4.34Å
145R97.2Very high94.7Very high132 Ų13250.3 Ų50.350%0.49825%0.253SS..PPolyproline II helixtrans-60.9128.7176.2-68.4177.8-174.6170.53.9109.7W25 W48 Q84W25-R145 HydrophobicContact CD2-CG 4.46Å; W25-R145 HydrophobicContact CE3-CB 4.23Å; W25-R145 HydrophobicContact CE3-CG 3.74Å; W25-R145 HydrophobicContact CH2-CB 4.03Å; W25-R145 HydrophobicContact CH2-CG 4.44Å; W25-R145 HydrophobicContact CZ3-CB 3.7Å; W25-R145 HydrophobicContact CZ3-CG 3.73Å; W48-R145 HydrophobicContact CH2-CB 4.47Å; W48-R145 HydrophobicContact CH2-CG 3.52Å; W48-R145 HydrophobicContact CZ2-CG 4.08Å; W48-R145 HydrophobicContact CZ3-CB 4.25Å; W48-R145 HydrophobicContact CZ3-CG 3.76Å; Q84-R145 WeakPolarHBondContact CB-O 3.17Å; Q84-R145 PolarHBondContact OE1-O 3.29Å; Q84-R145 VanDerWaalsContact OE1-O 3.13Å
146P96.9Very high94.1Very high5 Ų556 Ų563%0.03227%0.274CS..PPolyproline II helixtrans-68.6164166.929.6-35.1000110.8W25 A49 V68 R86W25-P146 VanDerWaalsContact CH2-O 3.28Å; W25-P146 WeakPolarHBondContact CH2-O 3.49Å; A49-P146 HydrophobicContact CB-CG 4.38Å; V68-P146 HydrophobicContact CG2-CB 4.06Å; R86-P146 HydrophobicContact CB-CB 4.26Å; R86-P146 HydrophobicContact CG-CB 4.49Å
147E94.4Very high93.5Very high26 Ų2658.5 Ų58.512%0.12129%0.293CS..PPolyproline II helixtrans-47.5141.3159.667.7-172.6161.300110.7Q84 R86 E151 A152 R155Q84-E147 PolarHBondContact O-N 3.18Å; R86-E147 HydrophobicContact CB-CG 3.58Å; R86-E147 WeakPolarHBondContact CB-OE1 3.32Å; R86-E147 PolarHBondContact N-OE1 3.47Å; R86-E147 PolarHBondContact NH1-O 3.21Å; E147-E151 HydrophobicContact CB-CB 4.14Å; E147-A152 HydrophobicContact CG-CB 3.88Å; E147-R155 IonicContact OE1-CZ 2.68Å; E147-R155 IonicContact OE1-NE 2.95Å; E147-R155 IonicContact OE1-NH2 3.93Å; E147-R155 PolarHBondContact OE1-NH2 3.06Å; E147-R155 IonicContact OE2-CZ 3.46Å; E147-R155 IonicContact OE2-NE 3.51Å; E147-R155 PolarHBondContact OE2-NE 3.38Å; E147-R155 IonicContact OE2-NH2 3.53Å; E147-R155 PolarHBondContact OE2-NH2 2.95Å
148S92.6Very high92.9Very high13 Ų1361.1 Ų61.19%0.09131%0.314CS..PPolyproline II helixtrans-60.3169.9179.668.50000112R86 L150 E151 A152R86-S148 VanDerWaalsContact NH1-C 3.33Å; S148-L150 PolarHBondContact O-N 2.99Å; S148-E151 WeakPolarHBondContact CA-OE2 3.4Å; S148-E151 WeakPolarHBondContact CB-OE2 3.28Å; S148-E151 PolarHBondContact N-OE2 3.03Å; S148-E151 VanDerWaalsContact OG-CG 3.31Å; S148-E151 WeakPolarHBondContact OG-CG 3.48Å; S148-E151 PolarHBondContact OG-N 3Å; S148-E151 PolarHBondContact OG-OE2 2.98Å; S148-A152 WeakPolarHBondContact O-CB 3.33Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.11Å
149K92.1Very high92Very high103 Ų10363.2 Ų63.245%0.44833%0.326SS..Hα-helixtrans-58.9-38.1177-173.7-173.4172.5-168.40111.5L45 E153L45-K149 HydrophobicContact CD2-CD 4.32Å; K149-E153 PolarHBondContact O-N 3.32Å
150L89.1Confident91.1Very high136 Ų13671.1 Ų71.171%0.71236%0.361SS*.Hα-helixtrans-75.8-45.9-175.8-61178.5000111.8S148 A152 E153 A154S148-L150 PolarHBondContact O-N 2.99Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.46Å; L150-E153 WeakPolarHBondContact O-CA 3.44Å; L150-E153 WeakPolarHBondContact O-CB 3.4Å; L150-E153 PolarHBondContact O-N 2.87Å; L150-A154 PolarHBondContact O-N 3.28Å
151E90.9Very high90Very high112 Ų11274.6 Ų74.652%0.52337%0.369SS..Hα-helixtrans-60.2-44.2175.8-69.3162.3120.100111.5E147 S148 E153 A154 R155E147-E151 HydrophobicContact CB-CB 4.14Å; S148-E151 WeakPolarHBondContact CA-OE2 3.4Å; S148-E151 WeakPolarHBondContact CB-OE2 3.28Å; S148-E151 PolarHBondContact N-OE2 3.03Å; S148-E151 VanDerWaalsContact OG-CG 3.31Å; S148-E151 WeakPolarHBondContact OG-CG 3.48Å; S148-E151 PolarHBondContact OG-N 3Å; S148-E151 PolarHBondContact OG-OE2 2.98Å; E151-E153 PolarHBondContact O-N 3.03Å; E151-A154 PolarHBondContact O-N 2.87Å; E151-R155 WeakPolarHBondContact O-CB 3.38Å; E151-R155 PolarHBondContact O-N 2.92Å
152A90.8Very high88.6Confident0 Ų080.3 Ų80.30%040%0.396CS..Hα-helixtrans-57.9-32.1174.600000112.1R86 E147 S148 L150 R156R86-A152 HydrophobicContact CB-CB 3.95Å; E147-A152 HydrophobicContact CG-CB 3.88Å; S148-A152 WeakPolarHBondContact O-CB 3.33Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.11Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.46Å; A152-R156 VanDerWaalsContact C-NH1 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 VanDerWaalsContact O-CG 3.24Å; A152-R156 WeakPolarHBondContact O-CG 3.24Å; A152-R156 PolarHBondContact O-N 3.01Å; A152-R156 VanDerWaalsContact O-N 3.15Å; A152-R156 PolarHBondContact O-NE 3.38Å; A152-R156 PolarHBondContact O-NH1 3.48Å
153E90.1Very high87Confident97 Ų9780.4 Ų80.445%0.45340%0.399SS..Hα-helixtrans-80.1-42.3179.3-162.2142.3136.200112.9K149 L150 E151 R155 R156 S157K149-E153 PolarHBondContact O-N 3.32Å; L150-E153 WeakPolarHBondContact O-CA 3.44Å; L150-E153 WeakPolarHBondContact O-CB 3.4Å; L150-E153 PolarHBondContact O-N 2.87Å; E151-E153 PolarHBondContact O-N 3.03Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 3.5Å; E153-R156 VanDerWaalsContact CA-NH2 3.33Å; E153-R156 PolarHBondContact O-N 3.5Å; E153-R156 IonicContact OE2-NH2 2.75Å; E153-R156 PolarHBondContact OE2-NH2 3.17Å; E153-S157 VanDerWaalsContact O-CB 3.32Å; E153-S157 WeakPolarHBondContact O-CB 3.36Å; E153-S157 PolarHBondContact O-N 3.4Å; E153-S157 PolarHBondContact O-OG 2.93Å
154A90.1Very high85.3Confident63 Ų6383.2 Ų83.252%0.52142%0.421SS..Hα-helixtrans-57-47.3171.100000110.7L150 E151 S157 A158L150-A154 PolarHBondContact O-N 3.28Å; E151-A154 PolarHBondContact O-N 2.87Å; A154-S157 PolarHBondContact O-N 3.28Å; A154-S157 VanDerWaalsContact O-N 3.15Å; A154-A158 WeakPolarHBondContact O-CB 3.32Å; A154-A158 PolarHBondContact O-N 3.15Å
155R88.4Confident83.5Confident74 Ų7483.4 Ų83.428%0.27942%0.423SS..Hα-helixtrans-63.2-44177.6-170176.460.678.11.3112.7E147 E151 E153 S157 I159E147-R155 IonicContact OE1-CZ 2.68Å; E147-R155 IonicContact OE1-NE 2.95Å; E147-R155 IonicContact OE1-NH2 3.93Å; E147-R155 PolarHBondContact OE1-NH2 3.06Å; E147-R155 IonicContact OE2-CZ 3.46Å; E147-R155 IonicContact OE2-NE 3.51Å; E147-R155 PolarHBondContact OE2-NE 3.38Å; E147-R155 IonicContact OE2-NH2 3.53Å; E147-R155 PolarHBondContact OE2-NH2 2.95Å; E151-R155 WeakPolarHBondContact O-CB 3.38Å; E151-R155 PolarHBondContact O-N 2.92Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 3.5Å; R155-S157 VanDerWaalsContact C-N 3.28Å; R155-S157 PolarHBondContact O-N 2.87Å; R155-I159 HydrophobicContact CG-CD1 4.33Å; R155-I159 WeakPolarHBondContact O-CD1 3.32Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.48Å
156R85.5Confident81.6Confident120 Ų12080.3 Ų80.345%0.45342%0.421SS..Hα-helixtrans-58.3-41.3172.1-78.6-176.5-57.7-90.37111.7A152 E153 K160A152-R156 VanDerWaalsContact C-NH1 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 VanDerWaalsContact O-CG 3.24Å; A152-R156 WeakPolarHBondContact O-CG 3.24Å; A152-R156 PolarHBondContact O-N 3.01Å; A152-R156 VanDerWaalsContact O-N 3.15Å; A152-R156 PolarHBondContact O-NE 3.38Å; A152-R156 PolarHBondContact O-NH1 3.48Å; E153-R156 VanDerWaalsContact CA-NH2 3.33Å; E153-R156 PolarHBondContact O-N 3.5Å; E153-R156 IonicContact OE2-NH2 2.75Å; E153-R156 PolarHBondContact OE2-NH2 3.17Å; R156-K160 PolarHBondContact O-N 2.89Å
157S84.6Confident79.7Confident60 Ų6087 Ų8742%0.4245%0.452SS..Hα-helixtrans-72.7-39.9-177.1-58.10000112.6E153 A154 R155 K160 K161E153-S157 VanDerWaalsContact O-CB 3.32Å; E153-S157 WeakPolarHBondContact O-CB 3.36Å; E153-S157 PolarHBondContact O-N 3.4Å; E153-S157 PolarHBondContact O-OG 2.93Å; A154-S157 PolarHBondContact O-N 3.28Å; A154-S157 VanDerWaalsContact O-N 3.15Å; R155-S157 VanDerWaalsContact C-N 3.28Å; R155-S157 PolarHBondContact O-N 2.87Å; S157-K160 PolarHBondContact O-N 3Å; S157-K161 WeakPolarHBondContact O-CG 3.48Å; S157-K161 PolarHBondContact O-N 3.36Å
158A85.5Confident77.7Confident54 Ų5493.5 Ų93.545%0.44648%0.482SS..Hα-helixtrans-61.3-46.117500000111.7A154 K160 K161 Q162A154-A158 WeakPolarHBondContact O-CB 3.32Å; A154-A158 PolarHBondContact O-N 3.15Å; A158-K160 VanDerWaalsContact C-N 3.32Å; A158-K160 PolarHBondContact O-N 2.91Å; A158-K161 PolarHBondContact O-N 2.76Å; A158-Q162 WeakPolarHBondContact O-CG 3.41Å; A158-Q162 PolarHBondContact O-N 2.98Å
159I78.6Confident75.6Confident88 Ų8897.3 Ų97.345%0.45151%0.509SS..Hα-helixtrans-60-42.6175.6-65.4165.4000110.9R155 K161 Q162 V163R155-I159 HydrophobicContact CG-CD1 4.33Å; R155-I159 WeakPolarHBondContact O-CD1 3.32Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.48Å; I159-K161 PolarHBondContact O-N 3.22Å; I159-Q162 PolarHBondContact O-N 3.29Å; I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.2Å
160K78.9Confident73.7Confident166 Ų166101.1 Ų101.172%0.72253%0.528SS*.Hα-helixtrans-61.1-44.1175.9-172.7-177.3177.2-173.30111.8R156 S157 A158 V163 S164R156-K160 PolarHBondContact O-N 2.89Å; S157-K160 PolarHBondContact O-N 3Å; A158-K160 VanDerWaalsContact C-N 3.32Å; A158-K160 PolarHBondContact O-N 2.91Å; K160-V163 PolarHBondContact O-N 3.44Å; K160-S164 PolarHBondContact O-N 3.49Å; K160-S164 PolarHBondContact O-OG 3.41Å
161K74.6Confident71.9Confident154 Ų154103.8 Ų103.867%0.6753%0.534SS*.Hα-helixtrans-59.3-49.3177.9-75.3-177.4177.2-174.40111.5S157 A158 I159 V163 S164 S165S157-K161 WeakPolarHBondContact O-CG 3.48Å; S157-K161 PolarHBondContact O-N 3.36Å; A158-K161 PolarHBondContact O-N 2.76Å; I159-K161 PolarHBondContact O-N 3.22Å; K161-V163 PolarHBondContact O-N 3.02Å; K161-S164 WeakPolarHBondContact CA-OG 3.49Å; K161-S164 PolarHBondContact O-N 3.19Å; K161-S164 VanDerWaalsContact O-N 3.1Å; K161-S164 PolarHBondContact O-OG 3.1Å; K161-S165 PolarHBondContact O-N 2.83Å; K161-S165 PolarHBondContact O-OG 2.73Å; K161-S165 VanDerWaalsContact O-OG 3.08Å
162Q68.4Low70Confident138 Ų138108 Ų10865%0.64555%0.551SS**Hα-helixtrans-56.5-46.6179.3-73.4-67.1-20.200112.8A158 I159 S164 S165 S166A158-Q162 WeakPolarHBondContact O-CG 3.41Å; A158-Q162 PolarHBondContact O-N 2.98Å; I159-Q162 PolarHBondContact O-N 3.29Å; Q162-S164 VanDerWaalsContact C-N 3.35Å; Q162-S164 PolarHBondContact O-N 3.41Å; Q162-S165 WeakPolarHBondContact CA-OG 3.48Å; Q162-S165 PolarHBondContact O-N 3.15Å; Q162-S165 PolarHBondContact O-OG 3.18Å; Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.47Å
163V64.3Low67.7Low79 Ų79118.9 Ų118.948%0.47959%0.592SS.*Hα-helixtrans-64.8-37176.6175.30000111.8I159 K160 K161 S166 H167I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.2Å; K160-V163 PolarHBondContact O-N 3.44Å; K161-V163 PolarHBondContact O-N 3.02Å; V163-S166 PolarHBondContact O-OG 2.84Å; V163-S166 VanDerWaalsContact O-OG 3.08Å; V163-H167 PolarHBondContact O-CD2 3.19Å
164S62.3Low65.5Low73 Ų73119.9 Ų119.951%0.5161%0.606SS.*Hα-helixtrans-70.6-32.9176.354.90000113.9K160 K161 Q162K160-S164 PolarHBondContact O-N 3.49Å; K160-S164 PolarHBondContact O-OG 3.41Å; K161-S164 WeakPolarHBondContact CA-OG 3.49Å; K161-S164 PolarHBondContact O-N 3.19Å; K161-S164 VanDerWaalsContact O-N 3.1Å; K161-S164 PolarHBondContact O-OG 3.1Å; Q162-S164 VanDerWaalsContact C-N 3.35Å; Q162-S164 PolarHBondContact O-N 3.41Å
165S58.8Low63.2Low58 Ų58124.4 Ų124.441%0.40662%0.621SS.*Hα-helixtrans-69.5-43.6178.436.40000112.7K161 Q162 H167 H168 S169K161-S165 PolarHBondContact O-N 2.83Å; K161-S165 PolarHBondContact O-OG 2.73Å; K161-S165 VanDerWaalsContact O-OG 3.08Å; Q162-S165 WeakPolarHBondContact CA-OG 3.48Å; Q162-S165 PolarHBondContact O-N 3.15Å; Q162-S165 PolarHBondContact O-OG 3.18Å; S165-H167 VanDerWaalsContact C-N 3.27Å; S165-H167 PolarHBondContact O-N 3.08Å; S165-H168 PolarHBondContact O-N 3.07Å; S165-S169 PolarHBondContact O-N 3.41Å; S165-S169 PolarHBondContact O-OG 3.47Å
166S56.2Low60.8Low67 Ų67127 Ų12747%0.46964%0.64SS.*Hα-helixtrans-62.3-33.4-179.253.30000113.1Q162 V163 H168Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.47Å; V163-S166 PolarHBondContact O-OG 2.84Å; V163-S166 VanDerWaalsContact O-OG 3.08Å; S166-H168 VanDerWaalsContact C-N 3.31Å; S166-H168 PolarHBondContact O-N 2.96Å
167H57.2Low58.4Low146 Ų146126.5 Ų126.568%0.67666%0.656SS**Hα-helixtrans-73.9-16.5176-71.3-53.7000114.2V163 S165V163-H167 PolarHBondContact O-CD2 3.19Å; S165-H167 VanDerWaalsContact C-N 3.27Å; S165-H167 PolarHBondContact O-N 3.08Å
168H52.4Low56.1Low162 Ų162130.5 Ų130.575%0.7567%0.672SS**Hα-helixtrans-89-26.2177.9-157.549.9000112.8S165 S166 Q170S165-H168 PolarHBondContact O-N 3.07Å; S166-H168 VanDerWaalsContact C-N 3.31Å; S166-H168 PolarHBondContact O-N 2.96Å; H168-Q170 VanDerWaalsContact C-N 3.3Å; H168-Q170 PolarHBondContact O-N 3.33Å
169S49Very low53.8Low94 Ų94133.6 Ų133.666%0.65769%0.686SS**Hα-helixtrans-63.1-28.1-178-560000114.7S165 K171S165-S169 PolarHBondContact O-N 3.41Å; S165-S169 PolarHBondContact O-OG 3.47Å; S169-K171 VanDerWaalsContact C-N 3.27Å; S169-K171 PolarHBondContact O-N 3.28Å
170Q52.9Low51.7Low182 Ų182133 Ų13385%0.8570%0.701SS**THydrogen-bonded Turntrans-81.912.4-172.6-68.1-161.7-32.500115.5H168H168-Q170 VanDerWaalsContact C-N 3.3Å; H168-Q170 PolarHBondContact O-N 3.33Å
171K49.6Very low49.6Very low193 Ų193136.4 Ų136.484%0.83971%0.71SS**THydrogen-bonded Turntrans-11833.5-179.3-140.8176-174.9179.50115.4S169S169-K171 VanDerWaalsContact C-N 3.27Å; S169-K171 PolarHBondContact O-N 3.28Å
172K51.4Low47.5Very low200 Ų200136.6 Ų136.687%0.8771%0.713SS**  trans-97.7102.6160.4-75.2-163.6173.7-171.60110.6
173R42.3Very low46Very low229 Ų229139.1 Ų139.186%0.86472%0.724SS**PPolyproline II helixtrans-65.3133168.5-164.5-175-152.1170.24.1108.3L175R173-L175 PolarHBondContact O-N 3.46Å
174P45Very low44.3Very low117 Ų117141.1 Ų141.176%0.7673%0.732SS**PPolyproline II helixtrans-65.4121.3166.128-31.7000107.9
175L40.7Very low43Very low159 Ų159143.2 Ų143.283%0.83275%0.746SS**PPolyproline II helixtrans-102.1116.8172.2179.561.2000107R173 S177R173-L175 PolarHBondContact O-N 3.46Å; L175-S177 PolarHBondContact O-N 3.44Å
176N39.4Very low41.6Very low127 Ų127145.9 Ų145.968%0.67977%0.765SS**PPolyproline II helixtrans-59.2137.4172.7-72.5-6.2000109.5
177S33.5Very low40.4Very low111 Ų111147.4 Ų147.478%0.77678%0.776SS**  trans-103.663.9178.4-178.10000110L175 V179L175-S177 PolarHBondContact O-N 3.44Å; S177-V179 PolarHBondContact O-N 3.08Å; S177-V179 VanDerWaalsContact O-N 3.15Å
178D36.4Very low39.4Very low144 Ų144151.2 Ų151.277%0.7779%0.786SS**  trans-68.2107172.2-68-61.5000109.8
179V38.8Very low38.6Very low119 Ų119151.9 Ų151.972%0.72179%0.793SS**  trans-123.392.1168.9178.20000107.9S177S177-V179 PolarHBondContact O-N 3.08Å; S177-V179 VanDerWaalsContact O-N 3.15Å
180G33.8Very low37.7Very low76 Ų76150.9 Ų150.978%0.78480%0.798SS**  trans-73.6143.7172.400000111.8
181R35.4Very low36.6Very low237 Ų237149.4 Ų149.489%0.89480%0.796SS**  trans-135.6142.7154.2-71.4-165.1-179.8-149.51.2108.8
182H30.3Very low36Very low158 Ų158146.2 Ų146.273%0.73179%0.787SS**  trans-64.3146.7177.2-81.6-118.9000111.8D184H182-D184 IonicContact ND1-OD1 3.52Å
183H35.6Very low35.2Very low190 Ų190145.1 Ų145.188%0.8879%0.785SS**  -151.1147.6123.6-99-64.7000109.4
184D30.3Very low34.7Very low122 Ų122141.4 Ų141.465%0.65278%0.782SS**  trans-95.2146.6-167-40.8-88.9000112.5H182H182-D184 IonicContact ND1-OD1 3.52Å
185S33Very low34.3Very low116 Ų116143.4 Ų143.481%0.81179%0.785SS**  168114127.8-77.40000115.6
186S31.3Very low34.5Very low115 Ų115141.4 Ų141.480%0.80478%0.782SS**  trans62.6162.9133.7-145.80000124.3
187S30.6Very low34.1Very low98 Ų98140.5 Ų140.569%0.68578%0.784SS**  trans68.976.7157.938.50000121.6
188Y36.5Very low34Very low227 Ų227142.2 Ų142.289%0.8978%0.784SS**  18.9149.3122.4-68.9-87.7000123.8
189I34Very low33.6Very low175 Ų175143.6 Ų143.690%0.89779%0.786SS**  trans80.8126161.6-40.5-167.2000117.5
190G30.4Very low33.2Very low74 Ų74141.1 Ų141.176%0.76379%0.785SS**  trans152.4112.4161.800000115.2
191N31.2Very low34.4Very low151 Ų151143.2 Ų143.281%0.80778%0.784SS**  trans-150.8162.8-173-144.26000107.9
192I36.8Very low34.3Very low126 Ų126138.7 Ų138.765%0.64677%0.773SS**  cis-152151.418.3-35.2156.5000108.7
193Q34.4Very low34.9Very low177 Ų177140.1 Ų140.183%0.82777%0.772SS**  trans147.7152.5136.1-78.916830.500118
194N30.8Very low34.8Very low151 Ų151137.9 Ų137.981%0.80777%0.772SS**  trans-83.3161.7-167.2-56.8-67.6000116.3
195L36.2Very low34.7Very low159 Ų159136.7 Ų136.783%0.83277%0.773SS**  trans-9.4157.4140.1-66.3165.7000118.4
196P46.2Very low35Very low116 Ų116138.7 Ų138.775%0.75377%0.772SS**  cis-147.816329.242.1-22.5000120.2
197C29.6Very low35.1Very low108 Ų108140.7 Ų140.773%0.7377%0.773SS**  trans46.6152.6135.4-143.30000125
198L33Very low35.3Very low147 Ų147141.4 Ų141.477%0.7777%0.773SS**  trans69.4152.9161.2-82.2158.7000116.3
199E26.6Very low35Very low173 Ų173137.1 Ų137.181%0.80877%0.765SS**  cis-157.4158.6-2.8-174.2164.4-177.400111.1
200G31.1Very low34.9Very low68 Ų68134.1 Ų134.170%0.70176%0.756SS**  trans89.6154144.500000120
201P60Low34.8Very low120 Ų120135.8 Ų135.878%0.77976%0.755SS**  trans-107.5172.5170.340-31.8000112.7
202E33.1Very low34.8Very low141 Ų141138.3 Ų138.366%0.65976%0.76SS**  -177.5151.3121.9-101.9-174.7-158.700117.7
203R42.2Very low34.4Very low189 Ų189138.2 Ų138.271%0.71377%0.77SS**  trans-30.5150.816658-159.4156.9-171-8.3120.6
204V33.9Very low34.3Very low143 Ų143136.4 Ų136.487%0.86777%0.771SS**  trans-133.7158.2160.1-1800000109.2
205S27.1Very low34.9Very low96 Ų96135 Ų13567%0.67177%0.77SS**  trans-158.6-175.1-173.6-64.30000112.5
206I39.6Very low34.5Very low158 Ų158131.6 Ų131.681%0.8176%0.764SS**  trans72146.9169.7-18.6-176.6000112.2
207I34.5Very low33.7Very low157 Ų157135 Ų13581%0.80577%0.771SS**  cis-140.8167.118.5-29.3-171000112.6
208T32.9Very low33.6Very low113 Ų113134.6 Ų134.669%0.69377%0.769SS**  trans-91.9-172.5-178.751.10000115.4
209D31.4Very low33.3Very low137 Ų137138.1 Ų138.173%0.73377%0.773SS**  trans102.1144148.6-90.787.5000118.7
210T30.9Very low34.2Very low113 Ų113135.2 Ų135.269%0.69377%0.769SS**  cis-158.3-179.45.4-156.40000115.1
211S29.6Very low34.3Very low108 Ų108136.8 Ų136.876%0.75577%0.77SS**  trans86160.7160.173.50000122.7
212F31.4Very low33.3Very low205 Ų205136.5 Ų136.590%0.89977%0.768SS**  trans-117.5160.5-166.7-72.5-108.7000113.3
213S27.1Very low33.2Very low123 Ų123137.3 Ų137.386%0.8677%0.771SS**  -171.8149129.5-84.50000113.5
214V33.3Very low32.6Very low140 Ų140134.9 Ų134.985%0.84877%0.773SS**  trans-147.1132.8175.4170.80000108.2
215P43Very low32.4Very low121 Ų121131.8 Ų131.879%0.78676%0.762SS**  -151.9150.8124.436.5-18.6000118.1
216A28.3Very low32.5Very low87 Ų87133.7 Ų133.772%0.71977%0.765SS**  trans85.6129.1136.700000124.4
217Q28.4Very low32.2Very low189 Ų189133.2 Ų133.288%0.88376%0.763SS**  trans81.3174145.8-71.2-175.96.700121.1
218S27.7Very low31.9Very low98 Ų98135 Ų13569%0.68576%0.761SS**  -165.7176.7-129.752.70000114.9
219Y28Very low31.8Very low221 Ų221138.9 Ų138.987%0.86777%0.768SS**  trans87.7165.1168.9-90.6-61.2000117.2
220P44.1Very low31.5Very low112 Ų112135.7 Ų135.773%0.72776%0.761SS**  -130.9-173.8-112.849-35.8000119.5
221S33.1Very low31.3Very low101 Ų101135 Ų13571%0.70676%0.761SS**  trans-22.7149.2168.8-179.30000122.5
222P39.8Very low31.4Very low114 Ų114139.7 Ų139.774%0.7476%0.764SS**  -111.9159121.535.7-29.7000111.4
223Q30.8Very low31.1Very low158 Ų158137.5 Ų137.574%0.73876%0.761SS**  cis75.5131.939.8-68.8-156.223.400113.8
224N28.9Very low31.5Very low138 Ų138135.7 Ų135.774%0.73875%0.749SS**  cis-147.6-175.4-2.5-81.7-33000108.2
225A30.6Very low31.3Very low78 Ų78135.6 Ų135.665%0.64575%0.748SS**  cis-133.3-141.17.300000110.1
226D29.8Very low30.6Very low136 Ų136134.6 Ų134.673%0.72774%0.744SS**  cis-146.7162.97.6-93.4-53.8000108.1
227L32.1Very low30.6Very low149 Ų149140.4 Ų140.478%0.7875%0.754SS**  72121.650-58.6179.1000115.3
228Y29.1Very low30.5Very low194 Ų194139.1 Ų139.176%0.76175%0.748SS**  cis-144.1152.68.3-178.9-113.7000113A230Y228-A230 HydrophobicContact CE1-CB 3.85Å
229K30Very low30.5Very low194 Ų194141.9 Ų141.984%0.84375%0.75SS**  trans-140121.3168.6-177.7-172.5178-172.50109
230A26.6Very low30.5Very low70 Ų70136.8 Ų136.858%0.57974%0.738SS**  trans-78.8151.8-178.800000113.2Y228Y228-A230 HydrophobicContact CE1-CB 3.85Å
231S26.6Very low29.9Very low100 Ų100138.5 Ų138.570%0.69974%0.736SS**  trans-159.3123.3175.1179.20000112.1
232Y31.1Very low29.8Very low206 Ų206140.9 Ų140.981%0.80874%0.74SS**  trans58138.4157.8-86.2-101.9000121.6
233D25.2Very low29.2Very low158 Ų158140.4 Ų140.485%0.84574%0.739SS**  -147.6178.3120.1-149.5-20.6000109.5
234S36Very low29.9Very low85 Ų85137.7 Ų137.759%0.59474%0.735SS**  trans-153127.7-170.6-68.20000117.4
235T29Very low30Very low138 Ų138140.4 Ų140.485%0.84774%0.737SS**  trans-158.5152174.750.20000111.7
236S27.6Very low30Very low100 Ų100145.2 Ų145.270%0.69975%0.746SS**  cis-173.6117.6-22.9520000112.3
237F27.2Very low30Very low209 Ų209146.7 Ų146.792%0.91775%0.746SS**  trans66156.5158.6-88.9-91.4000122.8
238Q27.5Very low29.8Very low162 Ų162149.1 Ų149.176%0.75775%0.746SS**  trans66.9122.2178.6-70.4-162.1-71.100116.5
239E27.6Very low30.6Very low157 Ų157145.5 Ų145.573%0.73475%0.746SS**  84.7124.758.8-173.5170.6-156.500109.7
240D28.3Very low31Very low114 Ų114143.6 Ų143.661%0.6175%0.745SS**  cis-150.8172.823.9-16712.8000113.1
241Q30.6Very low31.7Very low147 Ų147145.9 Ų145.969%0.68775%0.754SS**  trans57.7138153.5-87.3177.779.100120.3
242L31.1Very low32.1Very low151 Ų151153 Ų15379%0.79177%0.766SS**  cis-142.1165.26.3-97.3170.4000111.7
243S28.6Very low32.5Very low104 Ų104150.9 Ų150.973%0.72777%0.767SS**  trans-91.5176.6176.581.40000112.1
244P44.3Very low32.9Very low101 Ų101153.7 Ų153.766%0.65677%0.767SS**  cis-136.9-154.428.544.7-23.4000113.1
245Y31.3Very low33Very low196 Ų196157.4 Ų157.477%0.76978%0.777SS**  cis-152.2115.93.1-131.6-43.5000112.7
246Q30.1Very low33.4Very low178 Ų178156.7 Ų156.783%0.83278%0.775SS**  trans50.6-178.2155.3-79.6173.8-4100121.6
247K30.1Very low33.5Very low168 Ų168163.8 Ų163.873%0.7379%0.786SS**  trans-160.5144.1-137.1-133174.8179.7175.80114.2
248Y28.7Very low33.9Very low199 Ų199158.4 Ų158.478%0.7878%0.78SS**  trans64.2169.1161-67.3-58000119
249P44.3Very low34Very low118 Ų118156.9 Ų156.977%0.76679%0.786SS**  cis-128.4-175.9-1925-1.8000114.6
250N39.6Very low34.1Very low155 Ų155154.8 Ų154.883%0.82979%0.789SS**PPolyproline II helixtrans-72136.4174-136.9-10.3000112.9
251P41.6Very low34.4Very low117 Ų117160.4 Ų160.476%0.7680%0.803SS**PPolyproline II helixtrans-88146.5173.233.9-33000113.3
252R33.8Very low34.7Very low249 Ų249161.8 Ų161.894%0.9481%0.809SS**PPolyproline II helixtrans-92.7163.2173.5-79178.8171.4150.8-4.2112.2
253I40.1Very low34.7Very low162 Ų162164.1 Ų164.183%0.83181%0.814SS**PPolyproline II helixtrans-55.8140171-59.9164.1000110.7
254Y33.4Very low35Very low218 Ų218162.5 Ų162.586%0.85581%0.813SS**  trans-141137.5166.4-137.4-93.8000110
255M37.9Very low34.7Very low162 Ų162163.1 Ų163.180%0.79882%0.815SS**  trans-104.1139.2170.1-72.9-16183.600110.5
256P37.5Very low35.2Very low124 Ų124159.3 Ų159.381%0.80581%0.814SS**  trans-81.2135.9168.932.5-31.8000111.1
257R30.4Very low35.4Very low249 Ų249156.5 Ų156.594%0.9481%0.809SS**  trans-116142.5164.4-163.6179.4-168.8-171.73.7108.2
258A34.5Very low35.6Very low96 Ų96158.3 Ų158.379%0.79382%0.818SS**  trans-74.6145.6-173.200000113.5
259C29.9Very low36Very low130 Ų130155.1 Ų155.188%0.87882%0.818SS**  trans-154.6158.3148.6-96.90000111.4
260S29.8Very low35.1Very low113 Ų113154.6 Ų154.679%0.7982%0.818SS**  trans-30.3147.4175.149.20000119.4
261Y35.4Very low34.8Very low232 Ų232152.2 Ų152.291%0.9181%0.813SS**  trans-131.6133.4157.2-171.4-92.1000108.9
262E35.6Very low34.2Very low175 Ų175152.7 Ų152.782%0.81881%0.814SS**  trans-89.8167.7-175-73.3-167.9121.900113.8
263F31.8Very low34.1Very low201 Ų201146.1 Ų146.188%0.88281%0.806SS**  trans-99.5123.4-177.7-134.7-92.6000111
264G34.1Very low33.6Very low70 Ų70148.4 Ų148.472%0.72281%0.806SS**  trans-109.4132.1175.800000112.1
265V38.1Very low34.1Very low114 Ų114144.2 Ų144.269%0.69181%0.805SS**  trans-116.8138.1-178.4177.20000110.6T267V265-T267 HydrophobicContact CG1-CG2 4.44Å
266P42.1Very low33.9Very low116 Ų116140.9 Ų140.975%0.75379%0.794SS**  trans-112.8141.6150.5-0.822.2000111.9
267T33.8Very low33.6Very low118 Ų118144.7 Ų144.772%0.72480%0.799SS**  trans-102138-178.434.40000112.7V265V265-T267 HydrophobicContact CG1-CG2 4.44Å
268F36.1Very low33.6Very low207 Ų207142 Ų14291%0.90879%0.79SS**  trans-143.3161.4158.4-77.2-65.7000111.8
269V35.3Very low33.5Very low131 Ų131145.4 Ų145.479%0.79479%0.787SS**  trans-111.9145.4-145.2-175.60000114
270S27.3Very low33.5Very low107 Ų107143.7 Ų143.775%0.74877%0.769SS**  trans147.8122146.1-68.50000110.7
271S31.5Very low33.5Very low106 Ų106144.3 Ų144.374%0.74177%0.768SS**  67.5133.675.7-52.60000113.1
272T30.9Very low33.4Very low127 Ų127138.5 Ų138.578%0.77976%0.757SS**  cis-161.6161.825.3-27.90000114
273S29.8Very low33.3Very low110 Ų110136.4 Ų136.477%0.76975%0.751SS**  trans69.9134.6146.9520000124.2
274Y30.2Very low33.4Very low210 Ų210133.8 Ų133.882%0.82475%0.745SS**  trans-81.1170166.4-90.8-96.7000113.2
275P44.6Very low34.4Very low130 Ų130135.1 Ų135.184%0.84474%0.741SS**  -136.2-179101.838.1-26.4000115.4
276T33.4Very low34.2Very low92 Ų92136.8 Ų136.856%0.56474%0.744SS**  trans-129.6145.7-156.6-53.20000114.9Y278T276-Y278 HydrophobicContact CG2-CD2 4.24Å
277F31.2Very low33.8Very low205 Ų205137.4 Ų137.490%0.89974%0.741SS**  trans-152.6124.4153.2-81.1-73.9000106.1
278Y30.3Very low33.9Very low192 Ų192137 Ų13775%0.75374%0.739SS**  cis52.9125.946.2-88.7-58.9000112.7T276 D280T276-Y278 HydrophobicContact CG2-CD2 4.24Å; Y278-D280 HydrophobicContact CD1-CB 4.49Å
279K32.8Very low33.7Very low168 Ų168133.1 Ų133.173%0.7373%0.728SS**  cis-136.6150.920.8-92.5-156.7161.7-130.10111.4
280D29.1Very low33.9Very low93 Ų93134 Ų13450%0.49773%0.727SS.*  cis96.5113.440.1161.841.1000113.9Y278Y278-D280 HydrophobicContact CD1-CB 4.49Å
281T30.4Very low34Very low127 Ų127136.7 Ų136.778%0.77973%0.733SS**  trans-157.4109.6149.11.40000112.7
282T33.9Very low33.9Very low109 Ų109134 Ų13467%0.66972%0.722SS**  trans46.6119.6147.555.10000120.5
283D32.1Very low34.1Very low132 Ų132133.6 Ų133.671%0.70673%0.725SS**  80147.854.5-70.2-36.9000114.9
284I33.6Very low34.3Very low145 Ų145137 Ų13774%0.74473%0.728SS**  cis170.1164-24.9-119.4-175000106.7
285P55.8Low34.3Very low98 Ų98131.2 Ų131.264%0.63672%0.717SS**  cis-132.9-131.4-40.243-22.5000111.6
286I34.5Very low33.6Very low150 Ų150131.5 Ų131.577%0.76971%0.712SS**  trans82.7126.5166.3-54.7-174.5000117.4
287D32.3Very low33.4Very low129 Ų129132.3 Ų132.369%0.6972%0.721SS**  cis-173.5166.5-32.6-114.9-21000111.2
288T35.8Very low33.4Very low110 Ų110129 Ų12968%0.67572%0.717SS**  trans52.6130.1138.4-62.30000120.8
289D32.3Very low33.4Very low125 Ų125125.2 Ų125.267%0.66871%0.714SS**  cis-167.6161.91.4-122.1-8.1000116.3
290L39.6Very low33.2Very low149 Ų149122.8 Ų122.878%0.7871%0.714SS**  trans62.3150.3140.6-70.4167.2000126.6
291N29.6Very low33.3Very low164 Ų164126.9 Ų126.988%0.87773%0.73SS**  trans81.3138.4150.5-134.121.8000119.4
292G28.8Very low33.4Very low50 Ų50127.1 Ų127.152%0.51573%0.726SS.*  cis158.5146.8-13.200000114.5
293S35.5Very low33.6Very low118 Ų118129.9 Ų129.983%0.82573%0.729SS**  trans63141179.456.60000117
294Q35.5Very low33.6Very low180 Ų180128.6 Ų128.684%0.84173%0.73SS**  cis72.8140.247.6-70.4-169.1-1.600113.9
295C30.1Very low33.5Very low89 Ų89131.3 Ų131.360%0.60174%0.737SS**  cis-162.2162.63.2-125.20000114.4
296N29.4Very low32.6Very low137 Ų137134 Ų13473%0.73375%0.746SS**  trans65.6119.3139.3-67.7-1.7000125.4
297S29.6Very low32.3Very low108 Ų108134 Ų13476%0.75575%0.748SS**  103.5163.211073.40000124.1
298V29.7Very low32.3Very low135 Ų135134.3 Ų134.382%0.81875%0.754SS**  trans88.8161.2168.8-166.60000116.9
299T30.2Very low32Very low113 Ų113132.7 Ų132.769%0.69376%0.76SS**  trans-131.2-178.5-141.3550000115.3
300T28.7Very low32.2Very low118 Ų118137.6 Ų137.672%0.72477%0.769SS**  trans65.9116.2149.537.50000119.8
301H32.4Very low32.1Very low178 Ų178139 Ų13982%0.82477%0.771SS**  -16217399.1-128.1-86.3000114.6
302D31.4Very low32.2Very low132 Ų132141.3 Ų141.371%0.70677%0.769SS**  trans-119.2170.7-173.5176.337.1000112.7
303K38.2Very low32.3Very low168 Ų168142.4 Ų142.473%0.7378%0.78SS**  trans104.6128.2-177.1-61.4158.1-174.3174.60113.1
304S32.3Very low32.2Very low105 Ų105144.5 Ų144.573%0.73478%0.782SS**  cis79113.527.1-165.50000115.8
305F31.4Very low32.4Very low202 Ų202144.4 Ų144.489%0.88678%0.778SS**  trans-168.4129.6147.5-105.5-65.9000111.8
306D36.3Very low33.3Very low153 Ų153145.7 Ų145.782%0.81879%0.785SS**  trans-81.7150.8158-78.9-64.2000110.5
307N28.7Very low33.5Very low152 Ų152144.8 Ų144.881%0.81379%0.785SS**  -160.5168.7124.7-135.6-35.2000114.9
308T33.1Very low33.6Very low134 Ų134149.1 Ų149.182%0.82279%0.785SS**  trans-94.2164.4-172.760.10000114
309G28.4Very low33.7Very low77 Ų77145.2 Ų145.279%0.79477%0.772SS**  trans-170135166.300000111.3
310R37.9Very low34.1Very low227 Ų227148.6 Ų148.686%0.85778%0.777SS**  trans-108.3167.7178.2-58.1-176.2-177.1-156.21.6110.5
311H37.6Very low34.2Very low178 Ų178147.6 Ų147.682%0.82478%0.781SS**  -176.3166.8116.1-97.5-77.5000112.3
312Y31.9Very low34Very low213 Ų213142.9 Ų142.984%0.83578%0.78SS**  trans-64.3164.5-175.3-61.9-121.4000112.5
313G30.7Very low33.8Very low73 Ų73143 Ų14375%0.75379%0.792SS**  cis-156.1-140.93.100000109.3
314L32.3Very low33.3Very low163 Ų163138.7 Ų138.785%0.85379%0.794SS**  cis-162.1-159.4-11.5-151.473.8000108.6
315K40.8Very low33.2Very low178 Ų178141 Ų14177%0.77480%0.798SS**  trans-147.9157.8171.9-76.6-160.7176.2-171.10112.6
316P47.8Very low33.2Very low115 Ų115141.8 Ų141.875%0.74780%0.795SS**  -117.9166.9109.3-10.831.5000113.4
317V33.1Very low33Very low119 Ų119139.6 Ų139.672%0.72179%0.792SS**  cis78.612221.4177.70000112.4
318W33.6Very low33.1Very low198 Ų198140.3 Ų140.375%0.7580%0.796SS**  cis-154.817612.4-160.5-118.8000109.2K320W318-K320 HydrophobicContact CZ2-CG 4.29Å
319G30.7Very low32.9Very low53 Ų53144.9 Ų144.955%0.54680%0.8SS.*  cis134.5151.8-8.300000114.3
320K39.8Very low33Very low185 Ų185144.6 Ų144.680%0.80480%0.796SS**  trans73.2156177.6-71.1-176.6179.3-176.70117.4W318W318-K320 HydrophobicContact CZ2-CG 4.29Å
321A29.8Very low32.9Very low97 Ų97142 Ų14280%0.80279%0.794SS**  cis-165.7167.4-19.100000110.1
322G28.3Very low32.7Very low79 Ų79139 Ų13981%0.81478%0.783SS**  trans176.3130.4169.800000114.5
323S27Very low32.6Very low135 Ų135136.8 Ų136.894%0.94478%0.78SS**  trans-83.6155.1172.9-169.10000111.1
324G28.3Very low32.7Very low76 Ų76138.4 Ų138.478%0.78478%0.776SS**  trans-174.6123.3174.900000113.1
325D30.2Very low32.5Very low153 Ų153137.2 Ų137.282%0.81877%0.77SS**  trans-98.4169.8174.617643.4000111
326R30Very low32Very low219 Ų219133.4 Ų133.483%0.82676%0.762SS**  trans94136.6150.1-152.2167.6-180170.8-0.4118.4
327S32.7Very low31.2Very low108 Ų108133.6 Ų133.676%0.75576%0.757SS**  trans-69.8159.7174.6-37.80000112.8
328D30.3Very low31.3Very low166 Ų166135.9 Ų135.989%0.88876%0.759SS**  trans-146.7168.3150-127.7-38.3000114
329Y29.9Very low32.5Very low231 Ų231131.4 Ų131.491%0.90676%0.756SS**  trans-140.6123.1-157.5-151.9-86.9000113
330G30.6Very low32.5Very low70 Ų70138.3 Ų138.372%0.72277%0.767SS**  trans74.9-176.9177.800000114.8
331Q34.8Very low32.2Very low173 Ų173138 Ų13881%0.80876%0.762SS**  cis-160.1147.6-16.5-135.2-174.2-23.500110.4
332I33.3Very low32.2Very low116 Ų116137.5 Ų137.560%0.59575%0.752SS**  trans63.6111.7148.1-77.3166.8000120.8
333Q31.8Very low32.4Very low166 Ų166137 Ų13778%0.77675%0.747SS**  trans62.6167.1131.8-56.2176.60.200119.3
334T31.2Very low32.9Very low107 Ų107138.1 Ų138.166%0.65674%0.737SS**  cis-153.5162.67.7-19.30000111.2
335N28.3Very low33Very low138 Ų138145 Ų14574%0.73874%0.741SS**  trans22.3149.7138.7-78.15.4000122.1
336T31.6Very low34.1Very low97 Ų97142.5 Ų142.560%0.59573%0.733SS**  cis-172.2156.86.512.50000111.3
337N29.4Very low34Very low120 Ų120137.4 Ų137.464%0.64273%0.73SS**  trans62.7156.6142.8-66.6-7.7000120.1
338H36.8Very low34.2Very low166 Ų166143.1 Ų143.177%0.76974%0.735SS**  cis-155.2-178.1-2.6-112.9-10.3000111.7
339P57.2Low34.3Very low105 Ų105145.1 Ų145.168%0.68273%0.731SS**  trans-123.5-176.4-154.546.2-37.1000117.3
340Y31.4Very low34.2Very low198 Ų198139 Ų13978%0.77672%0.722SS**  trans-178.8161.1150.7-117-139.9000109.1
341Y32.9Very low34.2Very low178 Ų178143.7 Ų143.770%0.69873%0.731SS**  cis-173.5155.8-19.2-144.4-130.2000108.4
342S29.7Very low34Very low86 Ų86140.8 Ų140.860%0.60173%0.73SS**  cis-122.5-109.7-22.7-175.60000108.7E344S342-E344 PolarHBondContact OG-OE1 3.29Å
343G32.3Very low34Very low68 Ų68139.8 Ų139.870%0.70174%0.739SS**  cis138.2150.2-12.200000113.7
344E37.4Very low34.1Very low159 Ų159137.4 Ų137.474%0.74374%0.74SS**  cis-168.7148.5-14.8-131.6173.8-92.900112.8S342S342-E344 PolarHBondContact OG-OE1 3.29Å
345Y31.8Very low34.6Very low222 Ų222138.3 Ų138.387%0.87175%0.748SS**  trans167.7153145.6-90.9-48.6000111.2
346P51.8Low35Very low99 Ų99140 Ų14064%0.64376%0.756SS**  -146.9-175.6-123.842.5-21000118.6
347C29.3Very low35.4Very low112 Ų112139.7 Ų139.776%0.75776%0.763SS**  trans73.1148.8160.2-62.50000117.9
348R36.5Very low36.2Very low229 Ų229139.4 Ų139.486%0.86477%0.768SS**  cis-128.8160.716.2-74.1-177.1178.6-1610.1114.5
349Y31.6Very low36.6Very low208 Ų208137.7 Ų137.782%0.81677%0.771SS**  trans-16.4159.2157.4-57.2-94.7000119.5
350S28.8Very low35.9Very low101 Ų101140.6 Ų140.671%0.70678%0.78SS**  cis177.2151.9-23-92.30000107.5
351N30.4Very low36.4Very low170 Ų170139.9 Ų139.991%0.90978%0.784SS**  trans-159.3158.3145.9-119.91.4000112.6
352S31.4Very low37.1Very low112 Ų112137.4 Ų137.478%0.78379%0.788SS**  trans-81.4148.2-162.452.90000115.9
353A32.6Very low37.8Very low95 Ų95139 Ų13979%0.78579%0.794SS**  trans-84.9162.4171.400000113.3
354S34Very low38.5Very low116 Ų116142.6 Ų142.681%0.81180%0.795SS**  trans-151.1153.4160.5-79.20000109.6
355P40.9Very low38.9Very low125 Ų125140.3 Ų140.381%0.81279%0.792SS**PPolyproline II helixtrans-92.8162.3-142.334-37.4000116.5
356L38.1Very low39.9Very low174 Ų174135.1 Ų135.191%0.91178%0.784SS**PPolyproline II helixtrans-65.8144.5172.3-81.268.2000111.9
357A38.8Very low40.1Very low90 Ų90136.6 Ų136.674%0.74479%0.791SS**PPolyproline II helixtrans-92.2159.5166.200000111.8
358P45.9Very low41.1Very low115 Ų115137 Ų13775%0.74779%0.791SS**PPolyproline II helixtrans-72.5159.2-175.5-16.331.7000114.2
359P45.8Very low41.4Very low129 Ų129135.3 Ų135.384%0.83879%0.789SS**PPolyproline II helixtrans-69.3130.4178.128.6-34.7000112.4Q361P359-Q361 PolarHBondContact O-N 3.42Å
360L41.7Very low41.8Very low167 Ų167132.4 Ų132.487%0.87479%0.793SS**PPolyproline II helixtrans-73.8123.3178.1-71.3173000111.9T362L360-T362 PolarHBondContact O-N 3.35Å
361Q42.5Very low42.4Very low182 Ų182132.3 Ų132.385%0.8579%0.792SS**  trans-81.6102.2-178.6-166.9174.320.200110.6P359 V363P359-Q361 PolarHBondContact O-N 3.42Å; Q361-V363 PolarHBondContact O-N 3.04Å
362T47.8Very low42.7Very low127 Ų127135.7 Ų135.778%0.77979%0.794SS**  trans-72.395.2-179.451.80000112.1L360 I364L360-T362 PolarHBondContact O-N 3.35Å; T362-I364 PolarHBondContact O-N 3.47Å
363V43.8Very low42.7Very low119 Ų119138.6 Ų138.672%0.72180%0.795SS**  trans-68.6121.9169.6178.60000109.8Q361 T365Q361-V363 PolarHBondContact O-N 3.04Å; V363-T365 PolarHBondContact O-N 3.08Å
364I46.6Very low43Very low143 Ų143138.9 Ų138.973%0.73380%0.797SS**  trans-91.895.6175.2-54.6177.7000108.9T362 T366T362-I364 PolarHBondContact O-N 3.47Å; I364-T366 HydrophobicContact CG2-CG2 4.01Å; I364-T366 PolarHBondContact O-N 3.29Å
365T46.9Very low42.7Very low111 Ų111143.7 Ų143.768%0.68180%0.8SS**  trans-75.489.3179.2-45.10000111.5V363 T367V363-T365 PolarHBondContact O-N 3.08Å; T365-T367 HydrophobicContact CG2-CG2 4.15Å; T365-T367 PolarHBondContact O-N 3.22Å
366T52.3Low42.4Very low113 Ų113146.6 Ų146.669%0.69380%0.799SS**  trans-79.275.4178.853.10000112.4I364 T368I364-T366 HydrophobicContact CG2-CG2 4.01Å; I364-T366 PolarHBondContact O-N 3.29Å; T366-T368 PolarHBondContact O-N 3.25Å
367T55.7Low42.3Very low131 Ų131144.7 Ų144.780%0.80480%0.797SS**  trans-69.8113173.752.80000111.1T365T365-T367 HydrophobicContact CG2-CG2 4.15Å; T365-T367 PolarHBondContact O-N 3.22Å
368T50.3Low41.9Very low121 Ų121145.9 Ų145.974%0.74280%0.8SS**  trans-115.8129.2-176.8-62.50000110.9T366T366-T368 PolarHBondContact O-N 3.25Å
369K44.2Very low41.2Very low193 Ų193147.1 Ų147.184%0.83981%0.805SS**  trans60.6107.1161-173-169.4-179.4-1710116.9
370V40.1Very low40.8Very low147 Ų147147 Ų14789%0.89180%0.802SS**  trans-123.8147.3149-159.40000108.2
371S39.7Very low40.3Very low99 Ų99148.7 Ų148.769%0.69280%0.802SS**  trans-84.2155.6-170.342.20000114.2Q373S371-Q373 PolarHBondContact O-N 3.49Å
372Y36.7Very low39.6Very low241 Ų241149.1 Ų149.195%0.94580%0.798SS**  trans-61.4130.3163.7-73.2-96.8000110.4
373Q32.7Very low38.8Very low172 Ų172147.9 Ų147.980%0.80479%0.794SS**  trans-141.1127160.6-163.216810.800108.2S371S371-Q373 PolarHBondContact O-N 3.49Å
374A37.9Very low38.2Very low101 Ų101147.7 Ų147.784%0.83579%0.789SS**PPolyproline II helixtrans-83.1121.2-172.800000110.9
375Y28.4Very low37.5Very low218 Ų218148.2 Ų148.286%0.85579%0.793SS**PPolyproline II helixtrans-88.6123174.2-104.1-94.3000111.3
376K33.8Very low36.9Very low185 Ų185150.6 Ų150.680%0.80480%0.801SS**PPolyproline II helixtrans-79.5151.3157.7-72.9-175.8176.2-178.20108.9
377P37.5Very low35.8Very low134 Ų134151.4 Ų151.487%0.8781%0.81SS**PPolyproline II helixtrans-72.5145.9174.931.1-34.8000111.3
378S30Very low34.5Very low115 Ų115152 Ų15280%0.80481%0.808SS**  trans-118.8141.5170.852.10000110.9
379V30.8Very low33.6Very low141 Ų141151.8 Ų151.886%0.85581%0.807SS**  trans-74.1151.6-170.7171.90000112.3
380V36.7Very low33.1Very low127 Ų127151.4 Ų151.477%0.7781%0.805SS**  trans-44.3136170.9176.60000112.6
381K31.5Very low32.6Very low203 Ų203150.4 Ų150.488%0.88380%0.795SS**  trans-129.9140.7147.6-79.9-161.9172.2-171.60110.5
382Y28.3Very low32.3Very low191 Ų191153.8 Ų153.875%0.74980%0.804SS**  trans-93.6146.9179.1-169.1-86.7000109D384Y382-D384 VanDerWaalsContact CE1-OD1 3.32Å; Y382-D384 WeakPolarHBondContact CE1-OD1 3.45Å; Y382-D384 WeakPolarHBondContact CE1-OD2 3.41Å; Y382-D384 PolarHBondContact OH-OD1 3.15Å
383S30Very low32.1Very low101 Ų101149.8 Ų149.871%0.70679%0.794SS**  trans-156.6105.217459.60000111.4
384D31.8Very low32Very low114 Ų114146.1 Ų146.161%0.6179%0.787SS**  trans-64.9151.4166.7-55.9-67.3000110.9Y382Y382-D384 VanDerWaalsContact CE1-OD1 3.32Å; Y382-D384 WeakPolarHBondContact CE1-OD1 3.45Å; Y382-D384 WeakPolarHBondContact CE1-OD2 3.41Å; Y382-D384 PolarHBondContact OH-OD1 3.15Å
385N32.3Very low31.4Very low154 Ų154151.9 Ų151.982%0.82479%0.789SS**  trans-144.9130.9158.3-83.5-77.3000109.2
386L33.6Very low31.5Very low161 Ų161146.5 Ų146.584%0.84378%0.779SS**  trans-83.7140.7174.2-8272.7000110.9
387C30.8Very low31.4Very low131 Ų131145.5 Ų145.589%0.88578%0.777SS**  trans-178.3149.5151.1-94.80000108.1
388D26.9Very low31.2Very low142 Ų142146.3 Ų146.376%0.75978%0.779SS**  cis-154.1161.5-27-176.922.2000106.7
389V32.5Very low31.3Very low118 Ų118144.8 Ų144.872%0.71577%0.773SS**  trans-103.4117.6-171.51770000112.5
390K34Very low31.4Very low184 Ų184147.5 Ų147.580%0.878%0.777SS**  trans-164.8108.8143.7-97.5129.6-157.1156.90114.9
391N28.9Very low31.2Very low127 Ų127148.5 Ų148.568%0.67978%0.778SS**  54.2112119.9-166.14.9000120.3
392L34.2Very low31.4Very low169 Ų169146.1 Ų146.189%0.88578%0.78SS**  trans-143147.3130.5-147.973.8000112.1
393Q30.9Very low31.7Very low157 Ų157142.4 Ų142.473%0.73478%0.782SS**  trans-76.6168.7176.1-71168.4-32.800112
394S30.3Very low31.7Very low95 Ų95141.5 Ų141.566%0.66479%0.788SS**  cis-174.3-176.6-17.2-89.50000108.6
395Y26.2Very low31.8Very low222 Ų222142 Ų14287%0.87180%0.795SS**  trans75.4150.1169.6-82.4-110.8000118.3
396T30.6Very low31.9Very low105 Ų105142.6 Ų142.664%0.64480%0.797SS**  cis-167.5154-32.3-93.70000108.9
397H30.7Very low31.8Very low164 Ų164145 Ų14576%0.75980%0.796SS**  trans-27.1141.1171-69.6-106.2000118.7
398V34.7Very low31.9Very low151 Ų151143.9 Ų143.992%0.91579%0.79SS**  -130.3158.4110.7-77.40000108.9
399A32Very low32.1Very low83 Ų83140.1 Ų140.169%0.68679%0.785SS**  trans-137.8147.1-179.500000110.5
400E33.1Very low32.1Very low199 Ų199143.9 Ų143.993%0.9380%0.797SS**  trans-140139.4166.5-114.1173.3-168.100109.4
401N31.8Very low32.3Very low148 Ų148143.9 Ų143.979%0.79180%0.797SS**  trans-111.4138-174.5-66.5-76.3000110.4
402V35.1Very low32.7Very low153 Ų153144.8 Ų144.893%0.92780%0.801SS**  trans-131.3122154.8-179.20000108
403S34.5Very low32.4Very low113 Ų113143.9 Ų143.979%0.7979%0.792SS**  trans-88.1145.1-175.2-56.20000112.4
404G31.6Very low32.5Very low82 Ų82143.2 Ų143.285%0.84579%0.789SS**  trans-147.1100.1170.900000110.8
405T33.4Very low32.7Very low123 Ų123145.8 Ų145.876%0.75580%0.795SS**  trans-88.7147.6-170.4-29.80000112.7
406I34.6Very low33Very low168 Ų168143.6 Ų143.686%0.86279%0.79SS**  trans-173.9151.5137.3-98.4152.7000110.9
407Y32.1Very low33Very low210 Ų210141.6 Ų141.682%0.82479%0.79SS**  trans-73.7172.9178-87.2-119.8000112
408S32.7Very low33.2Very low108 Ų108141.1 Ų141.176%0.75579%0.79SS**  cis-15316816.7-147.30000108.4
409G29.3Very low33.2Very low63 Ų63139.7 Ų139.765%0.64978%0.776SS**  cis123.7724.700000112.7
410M34.1Very low33.2Very low198 Ų198143.9 Ų143.998%0.97578%0.779SS**  trans-141146.9164.6-71.8-167.276.300110.5
411K37Very low33.2Very low183 Ų183140.2 Ų140.280%0.79678%0.775SS**  trans-147.3144-179.9179.5-168.4179.9-169.80107.8
412I38.8Very low33.2Very low147 Ų147138.4 Ų138.475%0.75478%0.781SS**  trans-174.5136.8147.9-98.4148.7000109.9
413Q27Very low33.2Very low149 Ų149139 Ų13970%0.69678%0.778SS**  trans22.7138.6158.5-62.3168.1-99.500121.5
414E33.3Very low32.8Very low144 Ų144142 Ų14267%0.67378%0.784SS**  cis8095.532.8-58.2169.9117.900115.4
415D33.4Very low32.7Very low148 Ų148148.4 Ų148.479%0.79179%0.785SS**  175.2166.3121.8-95.8-10.4000109.5
416F32.7Very low32.5Very low176 Ų176150.5 Ų150.577%0.77279%0.786SS**  cis174.6148.9-43.3-127.8-77.4000105.2M418F416-M418 HydrophobicContact CD1-CE 4.18Å; F416-M418 HydrophobicContact CE1-CE 4.13Å
417G30.5Very low32.3Very low63 Ų63150.4 Ų150.465%0.64978%0.781SS**  trans126.4111.3176.800000112.9
418M36.2Very low32.2Very low155 Ų155145.8 Ų145.876%0.76477%0.771SS**  74.8135.950.3-58.5-163.2-165.400113.3F416F416-M418 HydrophobicContact CD1-CE 4.18Å; F416-M418 HydrophobicContact CE1-CE 4.13Å
419I34.1Very low32.7Very low120 Ų120146.3 Ų146.362%0.61577%0.772SS**  cis-164.2155.8-1.1-121.3171.8000111.9
420K32.4Very low32.9Very low172 Ų172150 Ų15075%0.74878%0.775SS**  trans34.6124.7153.7-57.6167.6-167173.20120.4
421S33.4Very low33.3Very low122 Ų122146.1 Ų146.185%0.85377%0.765SS**  71.7114.669.2-52.80000117
422A30.2Very low32.9Very low110 Ų110143 Ų14391%0.90976%0.761SS**  trans-164.3158.5150.500000112.9
423L35.4Very low32.8Very low166 Ų166145.7 Ų145.787%0.86977%0.768SS**  trans-96158.6-173.5-62.7151.6000113.2
424L26.9Very low32.8Very low175 Ų175144.6 Ų144.692%0.91678%0.776SS**  -160.6-178.8122.8-132.570.1000112.7
425Y29.7Very low32.6Very low217 Ų217146.4 Ų146.485%0.85179%0.785SS**  trans-137.6177.7-161.6-138.4-95.8000111.9
426Q29.3Very low33.1Very low166 Ų166144.7 Ų144.778%0.77678%0.781SS**  trans81.7150.7177.4-53-173.8-10.300115.5
427H30.3Very low32.8Very low167 Ų167141 Ų14177%0.77378%0.784SS**  cis-145153.82.4-146.5-75.5000111.4
428D28.4Very low32.9Very low112 Ų112147.5 Ų147.560%0.59980%0.797SS**  trans-95.7154.3172.5-146.8-18.1000109.9
429P43.3Very low32.5Very low120 Ų120146.2 Ų146.278%0.77980%0.803SS**  -151.7168.586.440.4-21.6000118.2
430I34.3Very low32.5Very low139 Ų139147.6 Ų147.671%0.71381%0.811SS**  trans-92.9153.4-179.8-52.4158.3000112.3
431P41.9Very low32.4Very low118 Ų118146 Ų14677%0.76681%0.811SS**  -143120.3125.629.3-10.5000117.2
432T29.2Very low32.2Very low117 Ų117145.1 Ų145.172%0.71881%0.805SS**  trans25.2123.3143.4400000125.1
433K36.1Very low32.1Very low204 Ų204150.3 Ų150.389%0.88780%0.802SS**  35.5134.5124.7-69.2-172.8174.1-173.60122.1
434S27.2Very low31.9Very low125 Ų125154.3 Ų154.387%0.87481%0.806SS**  -159.5153.8120.756.80000114.7
435E29.4Very low32.1Very low183 Ų183157.2 Ų157.286%0.85581%0.806SS**  trans-145.4177.9165-131-163.4-158.900104
436P43.8Very low32.1Very low111 Ų111149.8 Ų149.872%0.72180%0.796SS**  cis-131.9-168.2-7.943.3-26.4000113
437A27Very low32.2Very low100 Ų100150.3 Ų150.383%0.82680%0.803SS**  trans-164.6149.1147.300000112.3
438E33.1Very low32.6Very low198 Ų198149.9 Ų149.993%0.92581%0.806SS**  trans-98.1164.9174.6-60.7173.5119.200111.7
439S27.6Very low33.4Very low128 Ų128150.7 Ų150.790%0.89582%0.817SS**  trans-149147.5158.7-169.80000111.4
440L33.2Very low32.6Very low150 Ų150148.3 Ų148.379%0.78581%0.814SS**  trans-135.6129-167.4169.981.3000107.7
441D30.1Very low32.4Very low137 Ų137150 Ų15073%0.73383%0.825SS**  -169.6143.3129.6-122-39.3000119.1
442S29.5Very low31.8Very low105 Ų105150 Ų15073%0.73483%0.827SS**  trans54.8154.1137.1-78.10000126.6
443Y28.9Very low31.8Very low218 Ų218155.2 Ų155.286%0.85584%0.835SS**  trans-95.4155.2-177.8-72.1-120000113.3
444R31.6Very low31.8Very low251 Ų251150 Ų15095%0.94783%0.831SS**  -164164.3121.3-118.8178.8-101.5-156-2.2115.8
445Y30.1Very low32Very low235 Ų235152.5 Ų152.592%0.92283%0.829SS**  trans-92.8158.3174.6-102.1-116.9000111.4
446G30.3Very low32.3Very low61 Ų61152.1 Ų152.163%0.62983%0.827SS**  trans147.1121136.500000121
447L30.9Very low31.8Very low177 Ų177156.4 Ų156.493%0.92784%0.837SS**  trans78.2146.3144.3-81.676.2000123.2
448L39.3Very low32Very low158 Ų158155.3 Ų155.383%0.82784%0.835SS**  trans-86.8159.4165.5-104.970000111.3
449P45.2Very low32Very low130 Ų130155.4 Ų155.484%0.84484%0.836SS**  -126.6173.5108.737.8-32.8000111.4
450G26.8Very low32.1Very low69 Ų69153.4 Ų153.471%0.71183%0.826SS**  cis160.3136-3.500000109.8
451N29.8Very low32.2Very low176 Ų176153.9 Ų153.994%0.94183%0.829SS**  trans-79.5143-174-70.6-1.3000113.5
452S28.5Very low32.2Very low117 Ų117158.2 Ų158.282%0.81884%0.835SS**  trans-153.3157.7139.868.70000112.1
453Y30.2Very low32.2Very low226 Ų226163.1 Ų163.189%0.88684%0.844SS**  trans-85.1162.5176.3-112.3-119.6000111.8
454A34.9Very low32.7Very low96 Ų96162 Ų16279%0.79385%0.846SS**  trans-150154.7156.900000108.8
455E31.9Very low32.8Very low177 Ų177155.2 Ų155.283%0.82784%0.837SS**  trans-106.3168.7-160.8-72.4176.791.400116.2
456H35.6Very low33.2Very low175 Ų175148 Ų14881%0.8183%0.834SS**  trans-24.8133.6171.4-66.9-91.4000120.3
457E32.7Very low33.9Very low201 Ų201153.9 Ų153.994%0.93985%0.845SS**  -174.6148.7123.7-101.1178.6163.800107.8
458G31.7Very low34.6Very low76 Ų76160.1 Ų160.178%0.78486%0.859SS**  cis-157.9-179.8-6.100000110
459Q32.8Very low34.4Very low201 Ų201160.2 Ų160.294%0.93986%0.86SS**  trans-90.2149-174.2-60.5171.6-65.500114.1
460A30.7Very low33.8Very low85 Ų85161.8 Ų161.870%0.70286%0.861SS**  171.2135.5120.900000114.2
461L33.9Very low34.2Very low161 Ų161166.9 Ų166.984%0.84387%0.869SS**  trans57.4146.4144.3-64.8169.5000119.7
462R30.6Very low34.4Very low227 Ų227166.4 Ų166.486%0.85787%0.865SS**  cis-154.6153-10.1-155.1-179-161.91733.9107.4
463F30.4Very low34.8Very low209 Ų209169.5 Ų169.592%0.91787%0.868SS**  trans-85146.1164.6-100.4-98000110.6
464E37.8Very low35.1Very low194 Ų194165.7 Ų165.791%0.90787%0.867SS**  trans-136.1134.4163.1-173.8162.2-130.200107.9
465S35.3Very low35.1Very low109 Ų109170.7 Ų170.776%0.76287%0.872SS**  trans-126.4113.8-173.5520000109.5
466G38.4Very low35.4Very low83 Ų83170.2 Ų170.286%0.85688%0.876SS**  trans-87.8126.4177.200000112.2
467E45.1Very low35.4Very low184 Ų184169.8 Ų169.886%0.8688%0.881SS**  trans-96.2145.2163.4-61.6-178.4130.800109.8
468Y45.3Very low35.6Very low308 Ų308167 Ų167100%1.20888%0.876SS**  trans-1630151.3-104.8-67.7000110

Retrieved 468 of 468 residues in 160.8 ms (Link to these results)

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