A0A087X9Z5_POEFO Loading...

Phosphoglycerate mutase

Plays a major role in regulating hemoglobin oxygen affinity by controlling the levels of its allosteric effector 2,3-bisphosphoglycerate (2,3-BPG). Also exhibits mutase (EC 5.4.2.11) activity.

AlphaFold DB , UniProt , Accession A0A087X9Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 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
1M69.9Low93Very high217 Ų21753 Ų53100%1.06925%0.248SC*.  0143.90-67.4-176.8-123.800107.8K3M1-K3 PolarHBondContact O-N 3.24Å
2S82.4Confident93.1Very high61 Ų6148.6 Ų48.643%0.42723%0.227SC..  trans-65.4134.6173.442.30000110.1E221S2-E221 WeakPolarHBondContact CB-OE2 3.49Å; S2-E221 PolarHBondContact OG-OE2 3.05Å
3K89.9Confident93.2Very high119 Ų11945.9 Ų45.952%0.51721%0.214SC..  trans-113-35.4180-167.3173.4-178.9-178.50111.6M1 L222 E224M1-K3 PolarHBondContact O-N 3.24Å; K3-L222 PolarHBondContact N-O 2.88Å; K3-E224 HydrophobicContact CD-CB 3.81Å
4Y96.4Very high93Very high19 Ų1942.7 Ų42.78%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-128.2151.7-175.2-46.6-67.4000112.2I177 E221 L222 D223 L226Y4-I177 HydrophobicContact CD1-CG2 4.02Å; Y4-I177 WeakPolarHBondContact CD1-O 3.24Å; Y4-I177 HydrophobicContact CD2-CG2 3.89Å; Y4-I177 WeakPolarHBondContact CE1-O 3.47Å; Y4-I177 HydrophobicContact CG-CG2 3.56Å; Y4-E221 WeakPolarHBondContact O-CA 3.46Å; Y4-L222 HydrophobicContact CD2-CB 4.5Å; Y4-L222 PolarHBondContact N-O 2.85Å; Y4-L222 PolarHBondContact O-N 2.72Å; Y4-D223 WeakPolarHBondContact CD2-O 3.41Å; Y4-D223 VanDerWaalsContact CE2-O 3.31Å; Y4-D223 WeakPolarHBondContact CE2-O 3.47Å; Y4-L226 HydrophobicContact CD2-CD2 3.68Å; Y4-L226 HydrophobicContact CE2-CD2 3.87Å
5R94.6Very high92.5Very high141 Ų14142.1 Ų42.153%0.53221%0.205SC..EExtended strand (participates in β ladder)trans-119.8132.5174-68.4-177.3-178.5176.41.2110.2E221R5-E221 HydrophobicContact CG-CG 4.37Å
6L97.9Very high92.5Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans-131.9135.4177.9174.268.2000109.1L8 W169 I183 I185 L199 L220 L222L6-L8 HydrophobicContact CD1-CD2 4.29Å; L6-L8 HydrophobicContact CD2-CD2 3.97Å; L6-L8 HydrophobicContact CD2-CG 4.49Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L6-W169 HydrophobicContact CD2-CH2 3.64Å; L6-W169 HydrophobicContact CD2-CZ3 4.2Å; L6-I183 HydrophobicContact CD1-CB 3.95Å; L6-I183 HydrophobicContact CD1-CG2 3.71Å; L6-I185 HydrophobicContact CD1-CD1 3.99Å; L6-I185 HydrophobicContact CD1-CG1 4.03Å; L6-L199 HydrophobicContact CD2-CD1 4.01Å; L6-L220 HydrophobicContact CB-CB 4.36Å; L6-L220 HydrophobicContact CD2-CD1 4Å; L6-L220 PolarHBondContact N-O 3.34Å; L6-L220 PolarHBondContact O-N 2.92Å; L6-L222 HydrophobicContact CB-CD1 4.48Å; L6-L222 HydrophobicContact CD2-CD1 4.41Å
7V98.7Very high92.1Very high0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-113.8121.1172.1-178.70000109L45 Y50 F52 I183 L184 I185 P217 V218V7-L45 HydrophobicContact CG1-CD2 4.35Å; V7-L45 HydrophobicContact CG2-CD2 4.47Å; V7-Y50 HydrophobicContact CG2-CD1 3.89Å; V7-Y50 HydrophobicContact CG2-CE1 3.45Å; V7-Y50 VanDerWaalsContact CG2-CE1 3.45Å; V7-F52 HydrophobicContact CB-CE1 4.06Å; V7-F52 HydrophobicContact CB-CZ 4.14Å; V7-F52 HydrophobicContact CG2-CE1 3.91Å; V7-F52 HydrophobicContact CG2-CZ 4Å; V7-I183 PolarHBondContact N-O 3.14Å; V7-L184 HydrophobicContact CB-CD1 4.02Å; V7-L184 HydrophobicContact CG1-CD1 3.77Å; V7-L184 CarbonylContact O-C 3.52Å; V7-L184 WeakPolarHBondContact O-CA 3.08Å; V7-I185 PolarHBondContact O-N 3.4Å; V7-P217 HydrophobicContact CG1-CB 3.88Å; V7-V218 WeakPolarHBondContact CA-O 3.44Å
8L98.6Very high91.6Very high1 Ų145.7 Ų45.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-98.5139.9167.7-52.4-178.6000108.9L6 I185 I195 L196 V218 L220L6-L8 HydrophobicContact CD1-CD2 4.29Å; L6-L8 HydrophobicContact CD2-CD2 3.97Å; L6-L8 HydrophobicContact CD2-CG 4.49Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L8-I185 HydrophobicContact CD2-CB 3.74Å; L8-I185 HydrophobicContact CD2-CD1 3.81Å; L8-I185 HydrophobicContact CD2-CG1 4.04Å; L8-I185 HydrophobicContact CD2-CG2 4.4Å; L8-I195 HydrophobicContact CD1-CB 4.29Å; L8-I195 HydrophobicContact CD1-CG2 3.82Å; L8-I195 HydrophobicContact CD2-CD1 4.44Å; L8-I195 HydrophobicContact CD2-CG2 4.23Å; L8-L196 HydrophobicContact CD1-CD2 3.79Å; L8-L196 HydrophobicContact CD1-CG 3.94Å; L8-V218 HydrophobicContact CB-CB 4.27Å; L8-V218 PolarHBondContact N-O 3.1Å; L8-V218 PolarHBondContact O-N 2.81Å; L8-L220 HydrophobicContact CD1-CD1 3.87Å; L8-L220 HydrophobicContact CG-CD1 4.12Å
9L98.3Very high91.5Very high0 Ų048.1 Ų48.10%023%0.228CC..EExtended strand (participates in β ladder)trans-137.9120177.3178.461000109.4C41 T66 V70 L184 I185 S186 G187 V216 P217L9-C41 HydrophobicContact CD2-CB 4.35Å; L9-T66 HydrophobicContact CD2-CG2 3.61Å; L9-T66 HydrophobicContact CG-CG2 4.27Å; L9-V70 HydrophobicContact CD2-CG2 3.86Å; L9-L184 HydrophobicContact CB-CD1 4.2Å; L9-I185 PolarHBondContact N-O 3.42Å; L9-S186 CarbonylContact O-C 3.59Å; L9-S186 WeakPolarHBondContact O-CA 3.5Å; L9-G187 PolarHBondContact O-N 3.1Å; L9-V216 WeakPolarHBondContact CD1-O 3.43Å; L9-P217 HydrophobicContact CD1-CG 4.49Å
10R98.1Very high91.5Very high21 Ų2146.9 Ų46.98%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-72.1130.9162.2176.8-178.4173.7-169.7-7.4107.6N17 L212 T214 G215R10-N17 PolarHBondContact NH2-ND2 3.25Å; R10-L212 PolarHBondContact NH1-O 3.12Å; R10-T214 HydrophobicContact CG-CG2 4.45Å; R10-T214 VanDerWaalsContact CZ-CG2 3.45Å; R10-G215 PolarHBondContact O-N 2.9Å; R10-G215 VanDerWaalsContact O-N 3.1Å
11H97.9Very high91.7Very high4 Ų447 Ų472%0.01922%0.222CC..PPolyproline II helixtrans-48.5157.317666.880.4000113.5L30 R62 T66 G187 H188 T214H11-L30 HydrophobicContact CB-CD2 4.43Å; H11-R62 VanDerWaalsContact CE1-CD 3.41Å; H11-R62 WeakPolarHBondContact CE1-CD 3.33Å; H11-R62 PolarHBondContact NE2-NE 3.28Å; H11-T66 WeakPolarHBondContact CA-OG1 3.46Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.11Å; H11-G187 PolarHBondContact CD2-O 3.03Å; H11-G187 PolarHBondContact N-O 3.23Å; H11-G187 VanDerWaalsContact N-O 3.14Å; H11-H188 AromaticContact CD2-CE1 3.65Å; H11-H188 AromaticContact CD2-CG 3.84Å; H11-H188 AromaticContact CD2-ND1 3Å; H11-H188 PolarHBondContact CD2-ND1 3.03Å; H11-H188 AromaticContact NE2-CE1 3.91Å; H11-H188 AromaticContact NE2-ND1 3.08Å; H11-H188 PolarHBondContact NE2-ND1 3.34Å; H11-T214 WeakPolarHBondContact O-CB 3.31Å
12G94.7Very high92.9Very high0 Ų036.7 Ų36.70%017%0.171CC..PPolyproline II helixtrans-61.5165174.200000113G14 L30 E37 T66G12-G14 PolarHBondContact O-N 2.85Å; G12-L30 VanDerWaalsContact O-CD2 3.26Å; G12-L30 WeakPolarHBondContact O-CD2 3.28Å; G12-E37 WeakPolarHBondContact CA-OE2 3.29Å; G12-T66 PolarHBondContact N-OG1 3.45Å
13E93.6Very high93.6Very high14 Ų1434.1 Ų34.17%0.06515%0.153CC..PPolyproline II helixtrans-52.7128.4-178.8-163.8-178.3-110.700111.8N17 S31 G34 E37 K247E13-N17 HydrophobicContact CG-CB 3.7Å; E13-S31 PolarHBondContact O-N 3.33Å; E13-S31 PolarHBondContact O-OG 3.27Å; E13-S31 VanDerWaalsContact O-OG 3.06Å; E13-G34 WeakPolarHBondContact O-CA 3.43Å; E13-E37 PolarHBondContact N-OE2 3.16Å; E13-K247 IonicContact OE1-NZ 2.8Å; E13-K247 PolarHBondContact OE1-NZ 2.91Å
14G91.2Very high93.9Very high1 Ų128.6 Ų28.61%0.0113%0.129CC..BIsolated β-bridgetrans-94.6165.217000000111.9G12 W16 N17 K18G12-G14 PolarHBondContact O-N 2.85Å; G14-W16 VanDerWaalsContact C-N 3.29Å; G14-W16 PolarHBondContact O-N 3.24Å; G14-N17 PolarHBondContact N-OD1 2.83Å; G14-N17 WeakPolarHBondContact O-CB 3.41Å; G14-N17 PolarHBondContact O-N 2.87Å; G14-K18 PolarHBondContact O-N 3.09Å
15A85.9Confident94Very high33 Ų3327.8 Ų27.827%0.27313%0.126SC..Hα-helixtrans-51.4-47178.300000112.6N17 K18 E19A15-N17 VanDerWaalsContact C-N 3.29Å; A15-N17 PolarHBondContact O-N 3.28Å; A15-K18 WeakPolarHBondContact O-CB 3.25Å; A15-K18 PolarHBondContact O-N 3.01Å; A15-K18 VanDerWaalsContact O-N 3.11Å; A15-E19 PolarHBondContact O-N 3.27Å
16W92.1Very high94.2Very high12 Ų1221.1 Ų21.15%0.04510%0.101CC..Hα-helixtrans-73.7-16.5179.6-74.621.6000114.5G14 N20 R21 C23 V26 Q28 I96 G97 Y132G14-W16 VanDerWaalsContact C-N 3.29Å; G14-W16 PolarHBondContact O-N 3.24Å; W16-N20 PolarHBondContact O-N 3.02Å; W16-R21 HydrophobicContact CB-CB 4.13Å; W16-R21 HydrophobicContact CD2-CB 4.18Å; W16-R21 VanDerWaalsContact CE2-NH1 3.27Å; W16-R21 HydrophobicContact CE3-CB 3.99Å; W16-R21 HydrophobicContact CG-CB 4.25Å; W16-R21 PolarHBondContact O-N 2.87Å; W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.15Å; W16-V26 HydrophobicContact CH2-CB 4.36Å; W16-V26 HydrophobicContact CH2-CG1 4.02Å; W16-V26 HydrophobicContact CH2-CG2 4.03Å; W16-V26 HydrophobicContact CZ2-CG1 4.35Å; W16-V26 HydrophobicContact CZ3-CB 4.3Å; W16-V26 HydrophobicContact CZ3-CG1 4.37Å; W16-V26 HydrophobicContact CZ3-CG2 4.02Å; W16-Q28 HydrophobicContact CB-CG 4.44Å; W16-Q28 HydrophobicContact CD2-CG 3.89Å; W16-Q28 HydrophobicContact CG-CG 3.85Å; W16-I96 HydrophobicContact CZ3-CG2 4.36Å; W16-G97 VanDerWaalsContact CZ3-CA 3.4Å; W16-Y132 HydrophobicContact CH2-CD1 4.11Å; W16-Y132 HydrophobicContact CH2-CD2 4.07Å; W16-Y132 AromaticContact CH2-CE1 3.63Å; W16-Y132 HydrophobicContact CH2-CE1 3.63Å; W16-Y132 AromaticContact CH2-CE2 3.59Å; W16-Y132 HydrophobicContact CH2-CE2 3.59Å; W16-Y132 HydrophobicContact CH2-CG 4.3Å; W16-Y132 AromaticContact CH2-CZ 3.34Å; W16-Y132 AromaticContact CZ2-CE1 3.83Å; W16-Y132 HydrophobicContact CZ2-CE1 3.83Å; W16-Y132 HydrophobicContact CZ2-CE2 4.31Å; W16-Y132 AromaticContact CZ2-CZ 3.63Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.37Å; W16-Y132 HydrophobicContact CZ3-CE2 4.43Å
17N85.6Confident94.2Very high13 Ų1323.6 Ų23.67%0.0711%0.114CC..Hα-helixtrans-69.5-40.8168.8-66.9106.3000110.3R10 E13 G14 A15 N20R10-N17 PolarHBondContact NH2-ND2 3.25Å; E13-N17 HydrophobicContact CG-CB 3.7Å; G14-N17 PolarHBondContact N-OD1 2.83Å; G14-N17 WeakPolarHBondContact O-CB 3.41Å; G14-N17 PolarHBondContact O-N 2.87Å; A15-N17 VanDerWaalsContact C-N 3.29Å; A15-N17 PolarHBondContact O-N 3.28Å; N17-N20 PolarHBondContact O-N 3.49Å
18K83.1Confident94.1Very high166 Ų16625.9 Ų25.972%0.72213%0.125SC*.Hα-helixtrans-64.8-41.1174.9-171.9177.7179.3178.80112G14 A15 N20G14-K18 PolarHBondContact O-N 3.09Å; A15-K18 WeakPolarHBondContact O-CB 3.25Å; A15-K18 PolarHBondContact O-N 3.01Å; A15-K18 VanDerWaalsContact O-N 3.11Å; K18-N20 PolarHBondContact O-N 2.76Å
19E89.6Confident94Very high92 Ų9233 Ų3343%0.4316%0.155SC..THydrogen-bonded Turntrans-76.3-1.2176-64.8166.9-148.400113.8A15 R21 N99A15-E19 PolarHBondContact O-N 3.27Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 HydrophobicContact CB-CG 4.08Å; E19-R21 PolarHBondContact O-N 3.49Å; E19-R21 VanDerWaalsContact OE2-CD 3.29Å; E19-R21 WeakPolarHBondContact OE2-CD 3.18Å; E19-R21 IonicContact OE2-NH1 3.5Å; E19-N99 PolarHBondContact O-ND2 2.69Å
20N91.5Very high94Very high23 Ų2334.2 Ų34.212%0.12316%0.162CC..THydrogen-bonded Turntrans57.336-175.7-161.725.9000115.1W16 N17 K18 N99 R100 Q251W16-N20 PolarHBondContact O-N 3.02Å; N17-N20 PolarHBondContact O-N 3.49Å; K18-N20 PolarHBondContact O-N 2.76Å; N20-N99 WeakPolarHBondContact O-CA 3.22Å; N20-R100 WeakPolarHBondContact O-CG 3.47Å; N20-R100 PolarHBondContact O-N 3.43Å; N20-R100 PolarHBondContact O-NH1 3Å; N20-R100 WeakPolarHBondContact OD1-CD 3.35Å; N20-R100 PolarHBondContact OD1-NH1 3.14Å; N20-Q251 PolarHBondContact ND2-O 2.8Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.42Å; N20-Q251 WeakPolarHBondContact OD1-CG 3.41Å; N20-Q251 PolarHBondContact OD1-O 2.95Å
21R94.9Very high93.9Very high51 Ų5134.3 Ų34.319%0.19217%0.165CC..BIsolated β-bridgetrans-101.4149.7177.6-6117367.9-159.8-1.6112.6W16 E19 C23 G97 L98 R100 Y132W16-R21 HydrophobicContact CB-CB 4.13Å; W16-R21 HydrophobicContact CD2-CB 4.18Å; W16-R21 VanDerWaalsContact CE2-NH1 3.27Å; W16-R21 HydrophobicContact CE3-CB 3.99Å; W16-R21 HydrophobicContact CG-CB 4.25Å; W16-R21 PolarHBondContact O-N 2.87Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 HydrophobicContact CB-CG 4.08Å; E19-R21 PolarHBondContact O-N 3.49Å; E19-R21 VanDerWaalsContact OE2-CD 3.29Å; E19-R21 WeakPolarHBondContact OE2-CD 3.18Å; E19-R21 IonicContact OE2-NH1 3.5Å; R21-C23 PolarHBondContact O-N 3.26Å; R21-C23 VanDerWaalsContact O-N 3.14Å; R21-G97 VanDerWaalsContact CZ-O 3.29Å; R21-G97 PolarHBondContact NE-O 2.68Å; R21-G97 PolarHBondContact NH2-O 2.87Å; R21-L98 VanDerWaalsContact CA-O 3.28Å; R21-L98 WeakPolarHBondContact CA-O 3.45Å; R21-R100 VanDerWaalsContact O-CZ 3.22Å; R21-R100 PolarHBondContact O-NH1 2.66Å; R21-R100 VanDerWaalsContact O-NH1 3.07Å; R21-R100 PolarHBondContact O-NH2 3.49Å; R21-Y132 PolarHBondContact NH2-OH 3.02Å
22F95.3Very high93.8Very high0 Ų042.9 Ų42.90%021%0.206CC..  trans-71.1102.3172.8-69.8-79000111Y92 L95 G97 L98 R100 M103 R116F22-Y92 HydrophobicContact CB-CG 4.39Å; F22-Y92 AromaticContact CD1-CD1 3.46Å; F22-Y92 HydrophobicContact CD1-CD1 3.46Å; F22-Y92 VanDerWaalsContact CD1-CD1 3.46Å; F22-Y92 HydrophobicContact CD1-CD2 4.05Å; F22-Y92 AromaticContact CD1-CE1 3.41Å; F22-Y92 HydrophobicContact CD1-CE1 3.41Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.41Å; F22-Y92 HydrophobicContact CD1-CE2 4.03Å; F22-Y92 AromaticContact CD1-CG 3.78Å; F22-Y92 HydrophobicContact CD1-CG 3.78Å; F22-Y92 AromaticContact CD1-CZ 3.73Å; F22-Y92 AromaticContact CE1-CD1 3.69Å; F22-Y92 HydrophobicContact CE1-CD1 3.69Å; F22-Y92 AromaticContact CE1-CE1 3.28Å; F22-Y92 HydrophobicContact CE1-CE1 3.28Å; F22-Y92 HydrophobicContact CE1-CG 4.45Å; F22-Y92 AromaticContact CE1-CZ 3.78Å; F22-Y92 HydrophobicContact CG-CD1 4.26Å; F22-Y92 HydrophobicContact CG-CG 4.38Å; F22-Y92 HydrophobicContact CZ-CE1 4.35Å; F22-L95 VanDerWaalsContact CB-O 3.29Å; F22-L95 WeakPolarHBondContact CB-O 3.39Å; F22-L95 HydrophobicContact CD2-CB 4.13Å; F22-L95 WeakPolarHBondContact CD2-O 3.31Å; F22-L95 HydrophobicContact CE2-CB 4.43Å; F22-L95 HydrophobicContact CG-CB 4.4Å; F22-G97 PolarHBondContact O-N 3.44Å; F22-L98 HydrophobicContact CD2-CB 4.47Å; F22-L98 WeakPolarHBondContact CD2-O 3.45Å; F22-L98 PolarHBondContact N-O 2.91Å; F22-R100 HydrophobicContact CD1-CG 4.32Å; F22-R100 HydrophobicContact CD2-CG 4Å; F22-R100 HydrophobicContact CE1-CG 3.98Å; F22-R100 HydrophobicContact CE2-CB 4.33Å; F22-R100 HydrophobicContact CE2-CG 3.65Å; F22-R100 HydrophobicContact CG-CG 4.33Å; F22-R100 HydrophobicContact CZ-CB 4.4Å; F22-R100 HydrophobicContact CZ-CG 3.64Å; F22-M103 HydrophobicContact CE2-CG 4.38Å; F22-R116 HydrophobicContact CE1-CG 3.79Å; F22-R116 HydrophobicContact CZ-CG 4.06Å
23C96.8Very high93.9Very high7 Ų747.1 Ų47.15%0.04723%0.225CC..  trans-77.6-49.2-178.4-176.90000113.5W16 R21 W25 V26W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.15Å; R21-C23 PolarHBondContact O-N 3.26Å; R21-C23 VanDerWaalsContact O-N 3.14Å; C23-W25 PolarHBondContact O-N 3.34Å; C23-V26 VanDerWaalsContact O-CB 3.31Å; C23-V26 WeakPolarHBondContact O-CB 3.14Å; C23-V26 WeakPolarHBondContact O-CG2 3.31Å; C23-V26 PolarHBondContact O-N 3.11Å; C23-V26 VanDerWaalsContact O-N 3.15Å; C23-V26 PolarHBondContact SG-O 3.36Å
24S98Very high94.1Very high3 Ų346.4 Ų46.42%0.02122%0.222CC..THydrogen-bonded Turntrans55.5-130.7174.7-169.90000112.5V26 R62 R90 H91 Y92 I96S24-V26 VanDerWaalsContact C-N 3.32Å; S24-R62 PolarHBondContact O-NH2 2.91Å; S24-R90 PolarHBondContact OG-O 3.38Å; S24-R90 VanDerWaalsContact OG-O 3.09Å; S24-H91 WeakPolarHBondContact OG-CA 3.25Å; S24-Y92 PolarHBondContact OG-N 2.99Å; S24-I96 VanDerWaalsContact CB-CG1 3.48Å; S24-I96 WeakPolarHBondContact OG-CD1 3.34Å
25W98.6Very high94.4Very high2 Ų248.1 Ų48.11%0.00823%0.232CC..THydrogen-bonded Turntrans-83.3-3-179-76.237.9000114.2C23 D27 L60 W85 N88 E89 H91 I136 Y142 L152 P153C23-W25 PolarHBondContact O-N 3.34Å; W25-D27 PolarHBondContact O-N 3.05Å; W25-L60 WeakPolarHBondContact O-CD2 3.18Å; W25-W85 AromaticContact CH2-CE3 3.53Å; W25-W85 HydrophobicContact CH2-CE3 3.53Å; W25-W85 AromaticContact CH2-CZ3 3.91Å; W25-W85 HydrophobicContact CH2-CZ3 3.91Å; W25-W85 AromaticContact CZ2-CE3 3.86Å; W25-W85 HydrophobicContact CZ2-CE3 3.86Å; W25-W85 HydrophobicContact CZ2-CZ3 4.15Å; W25-N88 HydrophobicContact CZ2-CB 4.15Å; W25-E89 VanDerWaalsContact CD1-O 3.3Å; W25-E89 PolarHBondContact NE1-O 2.83Å; W25-H91 AromaticContact CD1-CD2 3.78Å; W25-H91 AromaticContact CD2-CD2 3.47Å; W25-H91 VanDerWaalsContact CD2-CD2 3.47Å; W25-H91 AromaticContact CE2-CD2 3.8Å; W25-H91 AromaticContact CE3-CD2 3.9Å; W25-H91 AromaticContact CG-CD2 3.48Å; W25-H91 VanDerWaalsContact CG-CD2 3.48Å; W25-H91 AromaticContact NE1-CD2 3.96Å; W25-I136 HydrophobicContact CB-CD1 4.22Å; W25-I136 HydrophobicContact CB-CG1 4.44Å; W25-I136 HydrophobicContact CB-CG2 4.07Å; W25-I136 HydrophobicContact CE3-CG2 4.2Å; W25-Y142 AromaticContact CE3-CE1 3.68Å; W25-Y142 HydrophobicContact CE3-CE1 3.68Å; W25-Y142 HydrophobicContact CE3-CE2 4.49Å; W25-Y142 AromaticContact CE3-CZ 3.65Å; W25-Y142 HydrophobicContact CH2-CE1 4.4Å; W25-Y142 HydrophobicContact CZ3-CD1 4.04Å; W25-Y142 AromaticContact CZ3-CE1 3.52Å; W25-Y142 HydrophobicContact CZ3-CE1 3.52Å; W25-L152 HydrophobicContact CH2-CD2 4.06Å; W25-L152 HydrophobicContact CZ3-CB 4.36Å; W25-L152 HydrophobicContact CZ3-CD1 4.49Å; W25-L152 HydrophobicContact CZ3-CD2 4.24Å; W25-P153 HydrophobicContact CH2-CG 3.74Å; W25-P153 HydrophobicContact CZ2-CG 3.71Å
26V98.3Very high95Very high1 Ų151.2 Ų51.21%0.00624%0.24CC..SBendtrans-60.3130.2167.9177.50000108.2W16 C23 S24 Q28 R62 I96 Y132 E135 I136W16-V26 HydrophobicContact CH2-CB 4.36Å; W16-V26 HydrophobicContact CH2-CG1 4.02Å; W16-V26 HydrophobicContact CH2-CG2 4.03Å; W16-V26 HydrophobicContact CZ2-CG1 4.35Å; W16-V26 HydrophobicContact CZ3-CB 4.3Å; W16-V26 HydrophobicContact CZ3-CG1 4.37Å; W16-V26 HydrophobicContact CZ3-CG2 4.02Å; C23-V26 VanDerWaalsContact O-CB 3.31Å; C23-V26 WeakPolarHBondContact O-CB 3.14Å; C23-V26 WeakPolarHBondContact O-CG2 3.31Å; C23-V26 PolarHBondContact O-N 3.11Å; C23-V26 VanDerWaalsContact O-N 3.15Å; C23-V26 PolarHBondContact SG-O 3.36Å; S24-V26 VanDerWaalsContact C-N 3.32Å; V26-Q28 HydrophobicContact CG1-CG 3.82Å; V26-Q28 PolarHBondContact O-N 2.84Å; V26-R62 PolarHBondContact O-NH1 3.04Å; V26-I96 HydrophobicContact CG2-CG2 3.37Å; V26-Y132 HydrophobicContact CG2-CD1 4.45Å; V26-Y132 HydrophobicContact CG2-CG 4.2Å; V26-E135 WeakPolarHBondContact CG1-OE1 3.46Å; V26-E135 WeakPolarHBondContact CG2-OE1 3.3Å; V26-I136 HydrophobicContact CG2-CD1 4.08Å; V26-I136 HydrophobicContact CG2-CG1 4.4Å
27D98Very high95.3Very high51 Ų5152.4 Ų52.427%0.27325%0.246SC..  trans-84.152.4-175.4-163.626.7000112.9W25 S61 R141W25-D27 PolarHBondContact O-N 3.05Å; D27-S61 VanDerWaalsContact OD1-CB 3.29Å; D27-S61 WeakPolarHBondContact OD1-CB 3.21Å; D27-S61 PolarHBondContact OD1-N 2.69Å; D27-S61 PolarHBondContact OD1-OG 3.41Å; D27-S61 PolarHBondContact OD2-OG 2.94Å; D27-R141 IonicContact OD1-NH1 2.72Å; D27-R141 IonicContact OD2-CZ 3.89Å; D27-R141 IonicContact OD2-NH1 3.19Å; D27-R141 PolarHBondContact OD2-NH1 2.93Å; D27-R141 IonicContact OD2-NH2 3.7Å; D27-R141 PolarHBondContact OD2-NH2 3.02Å
28Q96.4Very high95.9Very high49 Ų4951.8 Ų51.823%0.22924%0.242CC..PPolyproline II helixtrans-62.8139.7171.8-67.4-58.5-45.200110.8W16 V26 R62W16-Q28 HydrophobicContact CB-CG 4.44Å; W16-Q28 HydrophobicContact CD2-CG 3.89Å; W16-Q28 HydrophobicContact CG-CG 3.85Å; V26-Q28 HydrophobicContact CG1-CG 3.82Å; V26-Q28 PolarHBondContact O-N 2.84Å; Q28-R62 WeakPolarHBondContact O-CD 3.38Å; Q28-R62 PolarHBondContact O-NH1 3.47Å
29K96.8Very high96.6Very high150 Ų15048.5 Ų48.565%0.65223%0.225SC*.PPolyproline II helixtrans-77.5169.2174.8-64.4-176.1179179.70111.7
30L97.1Very high97Very high26 Ų2647 Ų4714%0.13622%0.22CC..BIsolated β-bridgetrans-64147.5168.7-63.9174.1000110.3H11 G12 V35 R62 H65 L69H11-L30 HydrophobicContact CB-CD2 4.43Å; G12-L30 VanDerWaalsContact O-CD2 3.26Å; G12-L30 WeakPolarHBondContact O-CD2 3.28Å; L30-V35 HydrophobicContact CB-CG2 3.97Å; L30-V35 HydrophobicContact CD1-CG2 4.26Å; L30-R62 HydrophobicContact CD2-CB 3.87Å; L30-R62 HydrophobicContact CG-CB 4.13Å; L30-H65 HydrophobicContact CD1-CB 3.94Å; L30-L69 HydrophobicContact CD1-CD1 4Å
31S96.6Very high97.4Very high22 Ų2246 Ų4615%0.15422%0.216CC..PPolyproline II helixtrans-76.9171.7164.272.20000110.3E13 E33 G34 V35E13-S31 PolarHBondContact O-N 3.33Å; E13-S31 PolarHBondContact O-OG 3.27Å; E13-S31 VanDerWaalsContact O-OG 3.06Å; S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 3.48Å; S31-E33 PolarHBondContact OG-N 3.19Å; S31-G34 PolarHBondContact O-N 3.31Å; S31-G34 VanDerWaalsContact O-N 3.12Å; S31-G34 PolarHBondContact OG-N 2.77Å; S31-V35 WeakPolarHBondContact O-CG2 3.06Å; S31-V35 PolarHBondContact O-N 2.79Å
32E96.3Very high97.5Very high184 Ų18443.6 Ų43.686%0.8621%0.206SC*.Hα-helixtrans-56.5-41.4172.1-66.2177.9175.100111.9V35 K36E32-V35 PolarHBondContact O-N 2.85Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 VanDerWaalsContact O-N 3.1Å
33E95.9Very high97.7Very high89 Ų8949.2 Ų49.242%0.41623%0.228SC..Hα-helixtrans-66.1-41.1175-169.559.5-145.400111.2S31 V35 K36 E37S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 3.48Å; S31-E33 PolarHBondContact OG-N 3.19Å; E33-V35 VanDerWaalsContact C-N 3.27Å; E33-V35 PolarHBondContact O-N 2.96Å; E33-K36 CarbonylContact O-C 3.58Å; E33-K36 WeakPolarHBondContact O-CA 3.22Å; E33-K36 WeakPolarHBondContact O-CB 3.16Å; E33-K36 PolarHBondContact O-N 2.94Å; E33-K36 IonicContact OE1-NZ 3.68Å; E33-E37 WeakPolarHBondContact O-CG 3.24Å; E33-E37 PolarHBondContact O-N 3.4Å
34G97.2Very high97.8Very high0 Ų050.8 Ų50.80%024%0.235CC..Hα-helixtrans-62.6-32.9176.400000113.6E13 S31 A38E13-G34 WeakPolarHBondContact O-CA 3.43Å; S31-G34 PolarHBondContact O-N 3.31Å; S31-G34 VanDerWaalsContact O-N 3.12Å; S31-G34 PolarHBondContact OG-N 2.77Å; G34-A38 PolarHBondContact O-N 3.1Å; G34-A38 VanDerWaalsContact O-N 3.13Å
35V98.3Very high97.8Very high37 Ų3750.6 Ų50.622%0.22423%0.234CC..Hα-helixtrans-66.6-42.9171.8169.70000110.6L30 S31 E32 E33 A38 R39 L69L30-V35 HydrophobicContact CB-CG2 3.97Å; L30-V35 HydrophobicContact CD1-CG2 4.26Å; S31-V35 WeakPolarHBondContact O-CG2 3.06Å; S31-V35 PolarHBondContact O-N 2.79Å; E32-V35 PolarHBondContact O-N 2.85Å; E33-V35 VanDerWaalsContact C-N 3.27Å; E33-V35 PolarHBondContact O-N 2.96Å; V35-A38 PolarHBondContact O-N 2.89Å; V35-R39 VanDerWaalsContact CG1-NH1 3.28Å; V35-R39 PolarHBondContact O-N 3.48Å; V35-R39 VanDerWaalsContact O-N 3.14Å; V35-L69 HydrophobicContact CB-CD1 4.2Å; V35-L69 HydrophobicContact CG1-CD1 3.88Å; V35-L69 HydrophobicContact CG1-CD2 4.26Å; V35-L69 HydrophobicContact CG2-CD1 4.15Å
36K98.1Very high97.8Very high98 Ų9856.1 Ų56.143%0.42626%0.258SS..Hα-helixtrans-63.4-47.4176.3-177.4-179163-65.40111.4E32 E33 A38 R39 D40E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 VanDerWaalsContact O-N 3.1Å; E33-K36 CarbonylContact O-C 3.58Å; E33-K36 WeakPolarHBondContact O-CA 3.22Å; E33-K36 WeakPolarHBondContact O-CB 3.16Å; E33-K36 PolarHBondContact O-N 2.94Å; E33-K36 IonicContact OE1-NZ 3.68Å; K36-A38 VanDerWaalsContact C-N 3.29Å; K36-A38 PolarHBondContact O-N 2.91Å; K36-R39 PolarHBondContact O-N 3.19Å; K36-R39 VanDerWaalsContact O-N 3.16Å; K36-D40 IonicContact NZ-OD2 2.64Å; K36-D40 PolarHBondContact NZ-OD2 3.11Å; K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 2.86Å
37E98Very high97.8Very high36 Ų3663.5 Ų63.517%0.16829%0.292CS..Hα-helixtrans-53-44.9175-76.7-179.6157.900111.9G12 E13 E33 D40 C41 T214G12-E37 WeakPolarHBondContact CA-OE2 3.29Å; E13-E37 PolarHBondContact N-OE2 3.16Å; E33-E37 WeakPolarHBondContact O-CG 3.24Å; E33-E37 PolarHBondContact O-N 3.4Å; E37-D40 PolarHBondContact O-N 3.24Å; E37-C41 PolarHBondContact O-N 3.09Å; E37-C41 PolarHBondContact O-SG 3.16Å; E37-T214 PolarHBondContact OE1-OG1 3.32Å; E37-T214 PolarHBondContact OE2-OG1 3.06Å
38A98.6Very high97.7Very high0 Ų065.2 Ų65.20%030%0.299CS..Hα-helixtrans-65.7-41.2178.800000112.8G34 V35 K36 C41 G42 T66 L69 V70G34-A38 PolarHBondContact O-N 3.1Å; G34-A38 VanDerWaalsContact O-N 3.13Å; V35-A38 PolarHBondContact O-N 2.89Å; K36-A38 VanDerWaalsContact C-N 3.29Å; K36-A38 PolarHBondContact O-N 2.91Å; A38-C41 WeakPolarHBondContact O-CB 3.5Å; A38-C41 PolarHBondContact O-N 2.81Å; A38-G42 PolarHBondContact O-N 2.91Å; A38-G42 VanDerWaalsContact O-N 3.14Å; A38-T66 HydrophobicContact CB-CG2 3.92Å; A38-L69 HydrophobicContact CB-CB 3.81Å; A38-L69 HydrophobicContact CB-CD1 3.85Å; A38-V70 VanDerWaalsContact O-CG2 3.28Å; A38-V70 WeakPolarHBondContact O-CG2 3.31Å
39R98.7Very high97.8Very high97 Ų9765.4 Ų65.437%0.36631%0.314SS..Hα-helixtrans-66.7-41.5175.1-70.9-176.6178.4129.50111.8V35 K36 C41 G42 R43 L69V35-R39 VanDerWaalsContact CG1-NH1 3.28Å; V35-R39 PolarHBondContact O-N 3.48Å; V35-R39 VanDerWaalsContact O-N 3.14Å; K36-R39 PolarHBondContact O-N 3.19Å; K36-R39 VanDerWaalsContact O-N 3.16Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 2.72Å; R39-G42 PolarHBondContact O-N 3.32Å; R39-G42 VanDerWaalsContact O-N 3.16Å; R39-R43 WeakPolarHBondContact O-CG 3.48Å; R39-R43 PolarHBondContact O-N 2.71Å; R39-L69 HydrophobicContact CG-CB 4.27Å; R39-L69 HydrophobicContact CG-CD2 4.17Å
40D98.3Very high97.8Very high60 Ų6059.1 Ų59.132%0.32129%0.286SS..Hα-helixtrans-60.9-40.8176.8-67.3-8.9000110.3K36 E37 G42 R43 L44K36-D40 IonicContact NZ-OD2 2.64Å; K36-D40 PolarHBondContact NZ-OD2 3.11Å; K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 2.86Å; E37-D40 PolarHBondContact O-N 3.24Å; D40-G42 PolarHBondContact O-N 2.84Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NH1 2.7Å; D40-R43 PolarHBondContact OD1-NH1 3.33Å; D40-L44 WeakPolarHBondContact O-CB 3.46Å; D40-L44 PolarHBondContact O-N 3.12Å
41C98.4Very high97.9Very high4 Ų465.4 Ų65.43%0.02731%0.313CS..Hα-helixtrans-57.5-47.6171.2-71.80000112.7L9 E37 A38 R39 L44 L45 V70 G215 P217L9-C41 HydrophobicContact CD2-CB 4.35Å; E37-C41 PolarHBondContact O-N 3.09Å; E37-C41 PolarHBondContact O-SG 3.16Å; A38-C41 WeakPolarHBondContact O-CB 3.5Å; A38-C41 PolarHBondContact O-N 2.81Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 2.72Å; C41-L44 PolarHBondContact O-N 3.02Å; C41-L45 WeakPolarHBondContact O-CB 3.36Å; C41-L45 VanDerWaalsContact O-CG 3.3Å; C41-L45 WeakPolarHBondContact O-CG 3.37Å; C41-L45 PolarHBondContact O-N 2.7Å; C41-V70 HydrophobicContact CB-CG2 3.97Å; C41-G215 PolarHBondContact SG-O 2.72Å; C41-P217 HydrophobicContact CB-CG 4.12Å
42G98.6Very high98Very high0 Ų064.5 Ų64.50%031%0.306CS..Hα-helixtrans-64.1-40.2-179.500000112.6A38 R39 D40 L45 K46 M74A38-G42 PolarHBondContact O-N 2.91Å; A38-G42 VanDerWaalsContact O-N 3.14Å; R39-G42 PolarHBondContact O-N 3.32Å; R39-G42 VanDerWaalsContact O-N 3.16Å; D40-G42 PolarHBondContact O-N 2.84Å; G42-L45 PolarHBondContact O-N 3.44Å; G42-K46 WeakPolarHBondContact O-CB 3.31Å; G42-K46 PolarHBondContact O-N 3.36Å; G42-M74 WeakPolarHBondContact O-CG 3.43Å
43R98.7Very high98.1Very high118 Ų11859 Ų5945%0.44528%0.283SS..Hα-helixtrans-61.8-47.1173.8-64.8-168.9-155.197.50.3111.6R39 D40 L45 K46 E47 A73R39-R43 WeakPolarHBondContact O-CG 3.48Å; R39-R43 PolarHBondContact O-N 2.71Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NH1 2.7Å; D40-R43 PolarHBondContact OD1-NH1 3.33Å; R43-L45 PolarHBondContact O-N 3.04Å; R43-K46 WeakPolarHBondContact O-CB 3.39Å; R43-K46 PolarHBondContact O-N 3.23Å; R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.36Å; R43-A73 HydrophobicContact CG-CB 4.33Å
44L98.4Very high98.2Very high39 Ų3955.4 Ų55.420%0.20427%0.266CS..Hα-helixtrans-59.2-46.3177.7178.464.7000112.2D40 C41 K46 E47 Q48 L235D40-L44 WeakPolarHBondContact O-CB 3.46Å; D40-L44 PolarHBondContact O-N 3.12Å; C41-L44 PolarHBondContact O-N 3.02Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.12Å; L44-E47 PolarHBondContact O-N 3Å; L44-Q48 HydrophobicContact CD1-CG 4.5Å; L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.34Å; L44-L235 HydrophobicContact CD2-CB 3.89Å; L44-L235 WeakPolarHBondContact CD2-O 3.5Å
45L98.5Very high98.3Very high0 Ų055.4 Ų55.40%027%0.266CS..Hα-helixtrans-65.6-36.4178.8-70.9167.9000111.6V7 C41 G42 R43 Q48 G49 Y50 F52 V70 M74 P217 L235V7-L45 HydrophobicContact CG1-CD2 4.35Å; V7-L45 HydrophobicContact CG2-CD2 4.47Å; C41-L45 WeakPolarHBondContact O-CB 3.36Å; C41-L45 VanDerWaalsContact O-CG 3.3Å; C41-L45 WeakPolarHBondContact O-CG 3.37Å; C41-L45 PolarHBondContact O-N 2.7Å; G42-L45 PolarHBondContact O-N 3.44Å; R43-L45 PolarHBondContact O-N 3.04Å; L45-Q48 PolarHBondContact O-N 2.97Å; L45-G49 PolarHBondContact O-N 2.93Å; L45-Y50 HydrophobicContact CB-CD2 4.31Å; L45-Y50 HydrophobicContact CB-CG 4.5Å; L45-Y50 HydrophobicContact CD2-CD1 4.36Å; L45-Y50 HydrophobicContact CD2-CD2 3.65Å; L45-Y50 HydrophobicContact CD2-CE2 3.84Å; L45-Y50 HydrophobicContact CD2-CG 3.93Å; L45-Y50 WeakPolarHBondContact O-CB 3.46Å; L45-Y50 WeakPolarHBondContact O-CD2 3.46Å; L45-Y50 PolarHBondContact O-N 3.44Å; L45-F52 HydrophobicContact CD1-CE2 4.09Å; L45-F52 HydrophobicContact CD1-CZ 4.14Å; L45-F52 HydrophobicContact CD2-CZ 4.46Å; L45-V70 HydrophobicContact CD1-CG1 4.02Å; L45-M74 HydrophobicContact CB-CE 3.77Å; L45-M74 HydrophobicContact CB-SD 3.77Å; L45-M74 HydrophobicContact CD1-SD 4.32Å; L45-P217 HydrophobicContact CD1-CB 4.46Å; L45-P217 HydrophobicContact CD1-CG 4.17Å; L45-P217 HydrophobicContact CD2-CB 4.07Å; L45-P217 HydrophobicContact CD2-CG 4.26Å; L45-P217 HydrophobicContact CG-CB 4.44Å; L45-P217 HydrophobicContact CG-CG 4.12Å; L45-L235 HydrophobicContact CD2-CD1 4.01Å
46K98.4Very high98.3Very high118 Ų11853.7 Ų53.751%0.51326%0.256SS..Hα-helixtrans-63.4-47.6173.4-170.6-177.9-166.91660111.9G42 R43 L44 Q48 G49 A73 M74G42-K46 WeakPolarHBondContact O-CB 3.31Å; G42-K46 PolarHBondContact O-N 3.36Å; R43-K46 WeakPolarHBondContact O-CB 3.39Å; R43-K46 PolarHBondContact O-N 3.23Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.12Å; K46-Q48 VanDerWaalsContact C-N 3.26Å; K46-Q48 PolarHBondContact O-N 3.49Å; K46-G49 PolarHBondContact O-N 3.32Å; K46-A73 WeakPolarHBondContact CD-O 3.39Å; K46-M74 HydrophobicContact CB-CG 4.17Å
47E98Very high98.4Very high155 Ų15549 Ų4972%0.72424%0.236SC*.Hα-helixtrans-60.5-35.9178.1-73.6167.3-173.600112.1R43 L44 G49R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.36Å; L44-E47 PolarHBondContact O-N 3Å; E47-G49 PolarHBondContact O-N 2.94Å
48Q96.8Very high98.4Very high87 Ų8747.3 Ų47.341%0.40723%0.228SC..THydrogen-bonded Turntrans-80.43174.7-67.1-170.220.300114L44 L45 K46 Y50L44-Q48 HydrophobicContact CD1-CG 4.5Å; L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.34Å; L45-Q48 PolarHBondContact O-N 2.97Å; K46-Q48 VanDerWaalsContact C-N 3.26Å; K46-Q48 PolarHBondContact O-N 3.49Å; Q48-Y50 HydrophobicContact CB-CD2 3.77Å; Q48-Y50 HydrophobicContact CB-CE2 3.73Å
49G97.3Very high98.4Very high54 Ų5448.9 Ų48.956%0.55724%0.235SC*.THydrogen-bonded Turntrans76.521.7173.500000115.1L45 K46 E47L45-G49 PolarHBondContact O-N 2.93Å; K46-G49 PolarHBondContact O-N 3.32Å; E47-G49 PolarHBondContact O-N 2.94Å
50Y98.2Very high98.4Very high17 Ų1744.2 Ų44.27%0.06722%0.218CC..  trans-67.2137.3176.2-76.4-96.7000111.8V7 L45 Q48 F52 M74 Q76 Q219 L235V7-Y50 HydrophobicContact CG2-CD1 3.89Å; V7-Y50 HydrophobicContact CG2-CE1 3.45Å; V7-Y50 VanDerWaalsContact CG2-CE1 3.45Å; L45-Y50 HydrophobicContact CB-CD2 4.31Å; L45-Y50 HydrophobicContact CB-CG 4.5Å; L45-Y50 HydrophobicContact CD2-CD1 4.36Å; L45-Y50 HydrophobicContact CD2-CD2 3.65Å; L45-Y50 HydrophobicContact CD2-CE2 3.84Å; L45-Y50 HydrophobicContact CD2-CG 3.93Å; L45-Y50 WeakPolarHBondContact O-CB 3.46Å; L45-Y50 WeakPolarHBondContact O-CD2 3.46Å; L45-Y50 PolarHBondContact O-N 3.44Å; Q48-Y50 HydrophobicContact CB-CD2 3.77Å; Q48-Y50 HydrophobicContact CB-CE2 3.73Å; Y50-F52 HydrophobicContact CD1-CE1 4.26Å; Y50-F52 HydrophobicContact CD1-CZ 4.16Å; Y50-F52 HydrophobicContact CG-CZ 4.44Å; Y50-M74 VanDerWaalsContact O-CE 3.22Å; Y50-M74 WeakPolarHBondContact O-CE 3.31Å; Y50-Q76 PolarHBondContact O-NE2 2.69Å; Y50-Q219 VanDerWaalsContact OH-CD 3.28Å; Y50-Q219 VanDerWaalsContact OH-CG 3.3Å; Y50-Q219 WeakPolarHBondContact OH-CG 3.44Å; Y50-Q219 PolarHBondContact OH-OE1 3.34Å; Y50-Q219 VanDerWaalsContact OH-OE1 3.08Å; Y50-L235 HydrophobicContact CE2-CD1 4Å
51K98.3Very high98.4Very high159 Ų15942.1 Ų42.169%0.69121%0.208SC*.  trans-130.3112.8172.8-61.9-179.9-177.6-179.50107.2T182K51-T182 WeakPolarHBondContact O-CB 3.28Å; K51-T182 WeakPolarHBondContact O-CG2 3.44Å
52F98.6Very high98.4Very high2 Ų242 Ų421%0.00921%0.207CC..  trans-91.4139.1-178-66.2-65000110.4V7 L45 Y50 M74 V79 T182 L184V7-F52 HydrophobicContact CB-CE1 4.06Å; V7-F52 HydrophobicContact CB-CZ 4.14Å; V7-F52 HydrophobicContact CG2-CE1 3.91Å; V7-F52 HydrophobicContact CG2-CZ 4Å; L45-F52 HydrophobicContact CD1-CE2 4.09Å; L45-F52 HydrophobicContact CD1-CZ 4.14Å; L45-F52 HydrophobicContact CD2-CZ 4.46Å; Y50-F52 HydrophobicContact CD1-CE1 4.26Å; Y50-F52 HydrophobicContact CD1-CZ 4.16Å; Y50-F52 HydrophobicContact CG-CZ 4.44Å; F52-M74 HydrophobicContact CD2-CE 3.77Å; F52-M74 HydrophobicContact CD2-SD 3.9Å; F52-M74 HydrophobicContact CE2-CE 3.57Å; F52-M74 HydrophobicContact CE2-SD 3.59Å; F52-M74 VanDerWaalsContact CE2-SD 3.59Å; F52-V79 HydrophobicContact CB-CG1 4.26Å; F52-V79 WeakPolarHBondContact O-CG2 3.14Å; F52-T182 HydrophobicContact CD1-CG2 3.89Å; F52-T182 HydrophobicContact CE1-CG2 4.15Å; F52-L184 HydrophobicContact CD1-CB 3.7Å; F52-L184 HydrophobicContact CD2-CB 4.3Å; F52-L184 HydrophobicContact CD2-CD2 4.47Å; F52-L184 HydrophobicContact CE1-CB 3.65Å; F52-L184 HydrophobicContact CE2-CB 4.22Å; F52-L184 HydrophobicContact CE2-CD2 4.21Å; F52-L184 HydrophobicContact CG-CB 4.05Å; F52-L184 HydrophobicContact CZ-CB 3.92Å; F52-L184 HydrophobicContact CZ-CD1 4.24Å; F52-L184 HydrophobicContact CZ-CD2 4.49Å; F52-L184 HydrophobicContact CZ-CG 4.45Å
53D98.8Very high98.4Very high70 Ų7042 Ų4237%0.37421%0.207SC..SBendtrans-98.7-21.8174.7-58.8-66.3000111.7K181 T182D53-K181 HydrophobicContact CB-CB 3.85Å; D53-K181 HydrophobicContact CB-CD 4.04Å; D53-K181 HydrophobicContact CB-CG 3.91Å; D53-K181 WeakPolarHBondContact OD2-CA 3.35Å; D53-T182 PolarHBondContact N-O 3.29Å; D53-T182 PolarHBondContact OD2-N 3.06Å
54L98.8Very high98.5Very high13 Ų1337.4 Ų37.47%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-158.5140.4-177.1-169.460.6000111F56 P80 V82 E176 I183 L184L54-F56 HydrophobicContact CD2-CE1 4.12Å; L54-F56 HydrophobicContact CD2-CE2 3.57Å; L54-F56 HydrophobicContact CD2-CZ 3.31Å; L54-F56 HydrophobicContact CG-CE2 3.94Å; L54-F56 HydrophobicContact CG-CZ 4Å; L54-P80 HydrophobicContact CD1-CB 3.84Å; L54-V82 HydrophobicContact CD1-CG2 3.99Å; L54-E176 HydrophobicContact CD2-CB 4.02Å; L54-E176 HydrophobicContact CD2-CG 3.71Å; L54-I183 HydrophobicContact CB-CG1 4.32Å; L54-I183 WeakPolarHBondContact O-CA 3.43Å; L54-L184 PolarHBondContact O-N 2.88Å; L54-L184 VanDerWaalsContact O-N 3.16Å
55V98.9Very high98.5Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-117.8135.8172.6-174.30000110.7T57 A67 L71 V79 P80 V81 V82 L184V55-T57 HydrophobicContact CG1-CG2 4.13Å; V55-A67 HydrophobicContact CG1-CB 3.88Å; V55-L71 HydrophobicContact CG2-CD1 4Å; V55-L71 HydrophobicContact CG2-CD2 4Å; V55-L71 HydrophobicContact CG2-CG 4.35Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; V55-P80 PolarHBondContact N-O 3.47Å; V55-V81 HydrophobicContact CB-CG1 4.4Å; V55-V81 HydrophobicContact CB-CG2 4.22Å; V55-V81 HydrophobicContact CG1-CG1 4.45Å; V55-V81 CarbonylContact O-C 3.57Å; V55-V81 WeakPolarHBondContact O-CA 3.29Å; V55-V82 PolarHBondContact O-N 3.46Å; V55-L184 CarbonylContact C-O 3.59Å; V55-L184 VanDerWaalsContact CA-O 3.31Å; V55-L184 WeakPolarHBondContact CA-O 3.48Å; V55-L184 HydrophobicContact CG1-CB 4.19Å; V55-L184 HydrophobicContact CG1-CD2 4.05Å; V55-L184 HydrophobicContact CG1-CG 4.1Å; V55-L184 HydrophobicContact CG2-CB 4.07Å; V55-L184 HydrophobicContact CG2-CD2 4.2Å
56F98.9Very high98.5Very high1 Ų139.2 Ų39.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-111.3137.3169.7-62.9-81.2000111.2L54 V82 L87 Y168 T172 V173 E176 I183 L184 I185 S186L54-F56 HydrophobicContact CD2-CE1 4.12Å; L54-F56 HydrophobicContact CD2-CE2 3.57Å; L54-F56 HydrophobicContact CD2-CZ 3.31Å; L54-F56 HydrophobicContact CG-CE2 3.94Å; L54-F56 HydrophobicContact CG-CZ 4Å; F56-V82 CarbonylContact C-O 3.59Å; F56-V82 WeakPolarHBondContact CA-O 3.47Å; F56-V82 HydrophobicContact CD1-CB 3.75Å; F56-V82 HydrophobicContact CD1-CG1 4.15Å; F56-V82 HydrophobicContact CE1-CB 3.88Å; F56-V82 HydrophobicContact CE1-CG1 4.14Å; F56-V82 HydrophobicContact CE1-CG2 4.29Å; F56-L87 HydrophobicContact CB-CD1 3.72Å; F56-Y168 HydrophobicContact CD1-CE1 4.26Å; F56-Y168 VanDerWaalsContact CD1-OH 3.29Å; F56-Y168 WeakPolarHBondContact CD1-OH 3.46Å; F56-T172 HydrophobicContact CE1-CG2 3.87Å; F56-T172 HydrophobicContact CZ-CG2 4.39Å; F56-V173 HydrophobicContact CD1-CG2 4.32Å; F56-V173 HydrophobicContact CD2-CG1 4.27Å; F56-V173 HydrophobicContact CD2-CG2 4.12Å; F56-V173 HydrophobicContact CE1-CG2 4.2Å; F56-V173 HydrophobicContact CE2-CB 4.28Å; F56-V173 HydrophobicContact CE2-CG1 3.97Å; F56-V173 HydrophobicContact CE2-CG2 4Å; F56-V173 HydrophobicContact CG-CG2 4.26Å; F56-V173 HydrophobicContact CZ-CB 4.43Å; F56-V173 HydrophobicContact CZ-CG2 4.02Å; F56-E176 HydrophobicContact CZ-CG 4.45Å; F56-I183 HydrophobicContact CD2-CG2 3.65Å; F56-I183 HydrophobicContact CE2-CD1 4.2Å; F56-I183 HydrophobicContact CE2-CG1 4.35Å; F56-I183 HydrophobicContact CE2-CG2 3.89Å; F56-L184 PolarHBondContact N-O 3.42Å; F56-I185 HydrophobicContact CB-CG1 4.28Å; F56-I185 HydrophobicContact CD2-CG1 4.4Å; F56-I185 CarbonylContact O-C 3.57Å; F56-I185 WeakPolarHBondContact O-CA 2.94Å; F56-S186 PolarHBondContact O-N 2.68Å
57T98.9Very high98.5Very high0 Ų033.6 Ų33.60%017%0.174CC..EExtended strand (participates in β ladder)trans-133168.1175.277.20000111.8V55 I64 A67 V81 V82 K83 S84 L87 S186V55-T57 HydrophobicContact CG1-CG2 4.13Å; T57-I64 WeakPolarHBondContact OG1-CG1 3.44Å; T57-A67 HydrophobicContact CG2-CB 3.7Å; T57-V81 HydrophobicContact CG2-CG1 3.79Å; T57-V82 PolarHBondContact N-O 3.09Å; T57-K83 WeakPolarHBondContact O-CA 3.25Å; T57-K83 WeakPolarHBondContact OG1-CG 3.4Å; T57-S84 PolarHBondContact O-N 3.35Å; T57-L87 WeakPolarHBondContact O-CD1 3.34Å; T57-S186 WeakPolarHBondContact CA-O 3.49Å
58S98.8Very high98.6Very high0 Ų032 Ų320%016%0.161CC..  trans-74.9-178.1164.6850000111.9L60 S63 S84 L87 N88 H188S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 WeakPolarHBondContact OG-CB 3.31Å; S58-L60 PolarHBondContact OG-N 3Å; S58-S63 PolarHBondContact N-OG 2.87Å; S58-S63 PolarHBondContact OG-OG 2.63Å; S58-S84 WeakPolarHBondContact CA-O 3.41Å; S58-L87 VanDerWaalsContact CB-C 3.43Å; S58-L87 WeakPolarHBondContact CB-O 3.29Å; S58-N88 VanDerWaalsContact CB-OD1 3.31Å; S58-N88 WeakPolarHBondContact CB-OD1 3.42Å; S58-H188 VanDerWaalsContact CB-NE2 3.33Å; S58-H188 WeakPolarHBondContact CB-NE2 3.21Å; S58-H188 PolarHBondContact OG-NE2 2.79Å
59L98.7Very high98.7Very high32 Ų3228.8 Ų28.817%0.16815%0.147CC..SBendtrans-84.1-6168.4-65.9-177.5000113K83 W85 N88 R141L59-K83 HydrophobicContact CD2-CB 3.87Å; L59-W85 HydrophobicContact CD1-CB 3.72Å; L59-W85 HydrophobicContact CG-CB 4.23Å; L59-N88 PolarHBondContact N-OD1 3.47Å; L59-R141 HydrophobicContact CD1-CB 4.3Å; L59-R141 HydrophobicContact CD1-CG 4.33Å; L59-R141 PolarHBondContact O-NH1 2.86Å
60L98.6Very high98.7Very high0 Ų026.2 Ų26.20%012%0.12CC..SBendtrans-82.9126.9-179.6-56.8176.1000109.6W25 S58 R62 S63 I64 N88 E89 Y142W25-L60 WeakPolarHBondContact O-CD2 3.18Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 WeakPolarHBondContact OG-CB 3.31Å; S58-L60 PolarHBondContact OG-N 3Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 PolarHBondContact O-N 2.93Å; L60-R62 VanDerWaalsContact O-N 3.13Å; L60-S63 PolarHBondContact O-N 2.62Å; L60-S63 PolarHBondContact O-OG 2.95Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-N88 HydrophobicContact CD1-CB 4.31Å; L60-E89 HydrophobicContact CD1-CB 4.4Å; L60-Y142 WeakPolarHBondContact CD2-OH 3.49Å
61S98.5Very high98.8Very high15 Ų1525.6 Ų25.611%0.10512%0.118CC..Hα-helixtrans-53.4-39.5-168.562.90000112.7D27 S63 I64 H65D27-S61 VanDerWaalsContact OD1-CB 3.29Å; D27-S61 WeakPolarHBondContact OD1-CB 3.21Å; D27-S61 PolarHBondContact OD1-N 2.69Å; D27-S61 PolarHBondContact OD1-OG 3.41Å; D27-S61 PolarHBondContact OD2-OG 2.94Å; S61-S63 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact O-N 3.19Å; S61-I64 WeakPolarHBondContact O-CB 3.46Å; S61-I64 PolarHBondContact O-N 2.98Å; S61-I64 VanDerWaalsContact O-N 3.09Å; S61-H65 WeakPolarHBondContact O-CB 3.19Å; S61-H65 PolarHBondContact O-CD2 2.87Å; S61-H65 PolarHBondContact O-N 3.39Å
62R98.4Very high98.8Very high3 Ų322.7 Ų22.71%0.01111%0.107CC..Hα-helixtrans-59.1-32.317860-172.6179.8-89.11.6114.8H11 S24 V26 Q28 L30 L60 T66H11-R62 VanDerWaalsContact CE1-CD 3.41Å; H11-R62 WeakPolarHBondContact CE1-CD 3.33Å; H11-R62 PolarHBondContact NE2-NE 3.28Å; S24-R62 PolarHBondContact O-NH2 2.91Å; V26-R62 PolarHBondContact O-NH1 3.04Å; Q28-R62 WeakPolarHBondContact O-CD 3.38Å; Q28-R62 PolarHBondContact O-NH1 3.47Å; L30-R62 HydrophobicContact CD2-CB 3.87Å; L30-R62 HydrophobicContact CG-CB 4.13Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 PolarHBondContact O-N 2.93Å; L60-R62 VanDerWaalsContact O-N 3.13Å; R62-T66 WeakPolarHBondContact O-CB 3.49Å; R62-T66 PolarHBondContact O-N 3.25Å; R62-T66 VanDerWaalsContact O-N 3.13Å; R62-T66 PolarHBondContact O-OG1 3.39Å
63S98.7Very high98.8Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-75.4-39.8173.776.50000111.4S58 L60 S61 T66 A67 S186S58-S63 PolarHBondContact N-OG 2.87Å; S58-S63 PolarHBondContact OG-OG 2.63Å; L60-S63 PolarHBondContact O-N 2.62Å; L60-S63 PolarHBondContact O-OG 2.95Å; S61-S63 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact O-N 3.19Å; S63-T66 PolarHBondContact O-N 3.36Å; S63-A67 PolarHBondContact O-N 3.15Å; S63-S186 WeakPolarHBondContact CB-O 3.39Å; S63-S186 PolarHBondContact O-OG 2.86Å; S63-S186 VanDerWaalsContact O-OG 3.05Å
64I98.9Very high98.8Very high20 Ų2020.8 Ų20.810%0.10310%0.1CC..Hα-helixtrans-63-50.6177.4-61.8163.9000110.3T57 L60 S61 T66 A67 W68 K83T57-I64 WeakPolarHBondContact OG1-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.39Å; S61-I64 WeakPolarHBondContact O-CB 3.46Å; S61-I64 PolarHBondContact O-N 2.98Å; S61-I64 VanDerWaalsContact O-N 3.09Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 3.21Å; I64-A67 WeakPolarHBondContact O-CB 3.29Å; I64-A67 PolarHBondContact O-N 3.1Å; I64-W68 HydrophobicContact CG2-CD2 3.92Å; I64-W68 VanDerWaalsContact CG2-CE2 3.45Å; I64-W68 HydrophobicContact CG2-CE3 4.28Å; I64-W68 HydrophobicContact CG2-CH2 3.81Å; I64-W68 HydrophobicContact CG2-CZ2 3.41Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.41Å; I64-W68 HydrophobicContact CG2-CZ3 4.22Å; I64-W68 PolarHBondContact O-N 3.06Å; I64-K83 HydrophobicContact CD1-CD 3.86Å; I64-K83 HydrophobicContact CG1-CD 4.09Å
65H98.8Very high98.8Very high77 Ų7722 Ų2236%0.35612%0.116SC..Hα-helixtrans-63.3-36.3177.1-79.9-78.3000112.3L30 S61 W68 L69L30-H65 HydrophobicContact CD1-CB 3.94Å; S61-H65 WeakPolarHBondContact O-CB 3.19Å; S61-H65 PolarHBondContact O-CD2 2.87Å; S61-H65 PolarHBondContact O-N 3.39Å; H65-W68 AromaticContact CE1-CE3 3.91Å; H65-W68 AromaticContact CE1-CZ3 3.62Å; H65-W68 AromaticContact ND1-CE3 3.62Å; H65-W68 AromaticContact ND1-CZ3 3.82Å; H65-W68 PolarHBondContact O-N 2.83Å; H65-L69 WeakPolarHBondContact O-CB 3.31Å; H65-L69 WeakPolarHBondContact O-CD1 3.15Å; H65-L69 VanDerWaalsContact O-CG 3.24Å; H65-L69 WeakPolarHBondContact O-CG 3.49Å; H65-L69 PolarHBondContact O-N 2.91Å
66T98.9Very high98.8Very high0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-60.3-48.4173-63.50000110.5L9 H11 G12 A38 R62 S63 I64 W68 L69 V70L9-T66 HydrophobicContact CD2-CG2 3.61Å; L9-T66 HydrophobicContact CG-CG2 4.27Å; H11-T66 WeakPolarHBondContact CA-OG1 3.46Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.11Å; G12-T66 PolarHBondContact N-OG1 3.45Å; A38-T66 HydrophobicContact CB-CG2 3.92Å; R62-T66 WeakPolarHBondContact O-CB 3.49Å; R62-T66 PolarHBondContact O-N 3.25Å; R62-T66 VanDerWaalsContact O-N 3.13Å; R62-T66 PolarHBondContact O-OG1 3.39Å; S63-T66 PolarHBondContact O-N 3.36Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 3.21Å; T66-W68 VanDerWaalsContact C-N 3.34Å; T66-W68 PolarHBondContact O-N 3.07Å; T66-L69 PolarHBondContact O-N 2.95Å; T66-V70 HydrophobicContact CG2-CG2 4.35Å; T66-V70 WeakPolarHBondContact O-CB 3.34Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 2.98Å
67A98.9Very high98.8Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-58.9-44.7177.300000112.1V55 T57 S63 I64 V70 L71V55-A67 HydrophobicContact CG1-CB 3.88Å; T57-A67 HydrophobicContact CG2-CB 3.7Å; S63-A67 PolarHBondContact O-N 3.15Å; I64-A67 WeakPolarHBondContact O-CB 3.29Å; I64-A67 PolarHBondContact O-N 3.1Å; A67-V70 PolarHBondContact O-N 3.1Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.46Å; A67-L71 PolarHBondContact O-N 2.85Å
68W98.9Very high98.8Very high123 Ų12337.5 Ų37.547%0.46618%0.18SC..Hα-helixtrans-60.1-47.3177.5-66.8-19.2000112.9I64 H65 T66 V70 L71 E72I64-W68 HydrophobicContact CG2-CD2 3.92Å; I64-W68 VanDerWaalsContact CG2-CE2 3.45Å; I64-W68 HydrophobicContact CG2-CE3 4.28Å; I64-W68 HydrophobicContact CG2-CH2 3.81Å; I64-W68 HydrophobicContact CG2-CZ2 3.41Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.41Å; I64-W68 HydrophobicContact CG2-CZ3 4.22Å; I64-W68 PolarHBondContact O-N 3.06Å; H65-W68 AromaticContact CE1-CE3 3.91Å; H65-W68 AromaticContact CE1-CZ3 3.62Å; H65-W68 AromaticContact ND1-CE3 3.62Å; H65-W68 AromaticContact ND1-CZ3 3.82Å; H65-W68 PolarHBondContact O-N 2.83Å; T66-W68 VanDerWaalsContact C-N 3.34Å; T66-W68 PolarHBondContact O-N 3.07Å; W68-V70 VanDerWaalsContact C-N 3.31Å; W68-V70 PolarHBondContact O-N 2.78Å; W68-L71 PolarHBondContact O-N 3.1Å; W68-E72 WeakPolarHBondContact O-CB 3.45Å; W68-E72 PolarHBondContact O-N 3.37Å
69L98.9Very high98.8Very high19 Ų1937.7 Ų37.710%0.09918%0.181CC..Hα-helixtrans-65.6-34.9179.3-68.9165.7000112.4L30 V35 A38 R39 H65 T66 A73L30-L69 HydrophobicContact CD1-CD1 4Å; V35-L69 HydrophobicContact CB-CD1 4.2Å; V35-L69 HydrophobicContact CG1-CD1 3.88Å; V35-L69 HydrophobicContact CG1-CD2 4.26Å; V35-L69 HydrophobicContact CG2-CD1 4.15Å; A38-L69 HydrophobicContact CB-CB 3.81Å; A38-L69 HydrophobicContact CB-CD1 3.85Å; R39-L69 HydrophobicContact CG-CB 4.27Å; R39-L69 HydrophobicContact CG-CD2 4.17Å; H65-L69 WeakPolarHBondContact O-CB 3.31Å; H65-L69 WeakPolarHBondContact O-CD1 3.15Å; H65-L69 VanDerWaalsContact O-CG 3.24Å; H65-L69 WeakPolarHBondContact O-CG 3.49Å; H65-L69 PolarHBondContact O-N 2.91Å; T66-L69 PolarHBondContact O-N 2.95Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.37Å; L69-A73 VanDerWaalsContact O-N 3.11Å
70V98.9Very high98.8Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-64.4-50.8173.2166.70000110.2L9 A38 C41 L45 T66 A67 W68 E72 A73 M74 L184L9-V70 HydrophobicContact CD2-CG2 3.86Å; A38-V70 VanDerWaalsContact O-CG2 3.28Å; A38-V70 WeakPolarHBondContact O-CG2 3.31Å; C41-V70 HydrophobicContact CB-CG2 3.97Å; L45-V70 HydrophobicContact CD1-CG1 4.02Å; T66-V70 HydrophobicContact CG2-CG2 4.35Å; T66-V70 WeakPolarHBondContact O-CB 3.34Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 2.98Å; A67-V70 PolarHBondContact O-N 3.1Å; W68-V70 VanDerWaalsContact C-N 3.31Å; W68-V70 PolarHBondContact O-N 2.78Å; V70-E72 PolarHBondContact O-N 2.9Å; V70-A73 PolarHBondContact O-N 3.29Å; V70-M74 HydrophobicContact CG1-SD 3.77Å; V70-M74 WeakPolarHBondContact O-CB 3.19Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 3.16Å; V70-L184 HydrophobicContact CG1-CD2 3.94Å
71L98.9Very high98.8Very high3 Ų341.1 Ų41.12%0.01621%0.205CC..Hα-helixtrans-63.5-40.4-180-68.8177.5000112.1V55 A67 W68 M74 G75 Q76 V79 V81V55-L71 HydrophobicContact CG2-CD1 4Å; V55-L71 HydrophobicContact CG2-CD2 4Å; V55-L71 HydrophobicContact CG2-CG 4.35Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.46Å; A67-L71 PolarHBondContact O-N 2.85Å; W68-L71 PolarHBondContact O-N 3.1Å; L71-M74 CarbonylContact O-C 3.53Å; L71-M74 PolarHBondContact O-N 3.07Å; L71-G75 PolarHBondContact O-N 2.86Å; L71-Q76 HydrophobicContact CD2-CB 3.89Å; L71-Q76 PolarHBondContact O-N 2.77Å; L71-V79 HydrophobicContact CD1-CB 4.41Å; L71-V79 HydrophobicContact CD2-CB 4.17Å; L71-V79 HydrophobicContact CD2-CG2 4.45Å; L71-V81 HydrophobicContact CD1-CG2 3.99Å
72E98.9Very high98.8Very high99 Ų9943 Ų4346%0.46322%0.215SC..Hα-helixtrans-56.7-53.3173.8-179.7-170.8-166.200111.1W68 V70 M74 G75 E77W68-E72 WeakPolarHBondContact O-CB 3.45Å; W68-E72 PolarHBondContact O-N 3.37Å; V70-E72 PolarHBondContact O-N 2.9Å; E72-M74 PolarHBondContact O-N 3.2Å; E72-G75 PolarHBondContact O-N 2.87Å; E72-E77 HydrophobicContact CB-CG 4.37Å
73A98.8Very high98.8Very high24 Ų2447 Ų4720%0.19823%0.233CC..Hα-helixtrans-62.1-29.6179.200000112.7R43 K46 L69 V70R43-A73 HydrophobicContact CG-CB 4.33Å; K46-A73 WeakPolarHBondContact CD-O 3.39Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.37Å; L69-A73 VanDerWaalsContact O-N 3.11Å; V70-A73 PolarHBondContact O-N 3.29Å
74M98.7Very high98.8Very high8 Ų847.6 Ų47.64%0.03924%0.237CC..Hα-helixtrans-80.9-19.1176.3-67.7179.278.400113.9G42 L45 K46 Y50 F52 V70 L71 E72 Q76G42-M74 WeakPolarHBondContact O-CG 3.43Å; L45-M74 HydrophobicContact CB-CE 3.77Å; L45-M74 HydrophobicContact CB-SD 3.77Å; L45-M74 HydrophobicContact CD1-SD 4.32Å; K46-M74 HydrophobicContact CB-CG 4.17Å; Y50-M74 VanDerWaalsContact O-CE 3.22Å; Y50-M74 WeakPolarHBondContact O-CE 3.31Å; F52-M74 HydrophobicContact CD2-CE 3.77Å; F52-M74 HydrophobicContact CD2-SD 3.9Å; F52-M74 HydrophobicContact CE2-CE 3.57Å; F52-M74 HydrophobicContact CE2-SD 3.59Å; F52-M74 VanDerWaalsContact CE2-SD 3.59Å; V70-M74 HydrophobicContact CG1-SD 3.77Å; V70-M74 WeakPolarHBondContact O-CB 3.19Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 3.16Å; L71-M74 CarbonylContact O-C 3.53Å; L71-M74 PolarHBondContact O-N 3.07Å; E72-M74 PolarHBondContact O-N 3.2Å; M74-Q76 HydrophobicContact CB-CB 4.23Å; M74-Q76 HydrophobicContact CB-CG 4.17Å
75G98.7Very high98.8Very high39 Ų3947.2 Ų47.240%0.40223%0.234SC..THydrogen-bonded Turntrans70.137.8-168.700000112.9L71 E72 E77L71-G75 PolarHBondContact O-N 2.86Å; E72-G75 PolarHBondContact O-N 2.87Å; G75-E77 WeakPolarHBondContact CA-OE2 3.36Å
76Q98.8Very high98.8Very high20 Ų2045.2 Ų45.29%0.09322%0.224CC..  trans-126.328.4-174.3-71-177.840.900112.3Y50 L71 M74 W78 V79Y50-Q76 PolarHBondContact O-NE2 2.69Å; L71-Q76 HydrophobicContact CD2-CB 3.89Å; L71-Q76 PolarHBondContact O-N 2.77Å; M74-Q76 HydrophobicContact CB-CB 4.23Å; M74-Q76 HydrophobicContact CB-CG 4.17Å; Q76-W78 PolarHBondContact O-N 3.08Å; Q76-W78 VanDerWaalsContact O-N 3.1Å; Q76-V79 HydrophobicContact CB-CG2 3.83Å; Q76-V79 VanDerWaalsContact O-CB 3.31Å; Q76-V79 WeakPolarHBondContact O-CB 3.27Å; Q76-V79 VanDerWaalsContact O-CG2 3.25Å; Q76-V79 WeakPolarHBondContact O-CG2 3.08Å; Q76-V79 PolarHBondContact O-N 3.23Å
77E98.7Very high98.8Very high116 Ų11645.3 Ų45.354%0.54222%0.224SC..THydrogen-bonded Turntrans-60.7-22.6-177.4-58.394.7139.100113.4E72 G75 V79E72-E77 HydrophobicContact CB-CG 4.37Å; G75-E77 WeakPolarHBondContact CA-OE2 3.36Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 PolarHBondContact O-N 3.09Å
78W98.7Very high98.8Very high189 Ų18945.3 Ų45.372%0.71622%0.224SC*.THydrogen-bonded Turntrans-73.3-14.3176.260.4-93.9000113.5Q76Q76-W78 PolarHBondContact O-N 3.08Å; Q76-W78 VanDerWaalsContact O-N 3.1Å
79V98.8Very high98.8Very high4 Ų440.2 Ų40.22%0.02421%0.206CC..SBendtrans-63.6129.7-179.6175.30000109.6F52 V55 L71 Q76 E77F52-V79 HydrophobicContact CB-CG1 4.26Å; F52-V79 WeakPolarHBondContact O-CG2 3.14Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; L71-V79 HydrophobicContact CD1-CB 4.41Å; L71-V79 HydrophobicContact CD2-CB 4.17Å; L71-V79 HydrophobicContact CD2-CG2 4.45Å; Q76-V79 HydrophobicContact CB-CG2 3.83Å; Q76-V79 VanDerWaalsContact O-CB 3.31Å; Q76-V79 WeakPolarHBondContact O-CB 3.27Å; Q76-V79 VanDerWaalsContact O-CG2 3.25Å; Q76-V79 WeakPolarHBondContact O-CG2 3.08Å; Q76-V79 PolarHBondContact O-N 3.23Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 PolarHBondContact O-N 3.09Å
80P98.8Very high98.7Very high72 Ų7239.4 Ų39.447%0.46820%0.201SC..  trans-60.4141-178.8-23.132.9000112.9L54 V55L54-P80 HydrophobicContact CD1-CB 3.84Å; V55-P80 PolarHBondContact N-O 3.47Å
81V98.8Very high98.7Very high32 Ų3239.4 Ų39.419%0.19420%0.201CC..EExtended strand (participates in β ladder)trans-123.4110.6-179.4-172.80000111.5V55 T57 L71 K83V55-V81 HydrophobicContact CB-CG1 4.4Å; V55-V81 HydrophobicContact CB-CG2 4.22Å; V55-V81 HydrophobicContact CG1-CG1 4.45Å; V55-V81 CarbonylContact O-C 3.57Å; V55-V81 WeakPolarHBondContact O-CA 3.29Å; T57-V81 HydrophobicContact CG2-CG1 3.79Å; L71-V81 HydrophobicContact CD1-CG2 3.99Å; V81-K83 PolarHBondContact O-NZ 3.12Å; V81-K83 VanDerWaalsContact O-NZ 3.15Å
82V98.7Very high98.7Very high55 Ų5539.9 Ų39.933%0.33320%0.203SC..EExtended strand (participates in β ladder)trans-99.1137.2178.9-1750000110.2L54 V55 F56 T57 Y168L54-V82 HydrophobicContact CD1-CG2 3.99Å; V55-V82 PolarHBondContact O-N 3.46Å; F56-V82 CarbonylContact C-O 3.59Å; F56-V82 WeakPolarHBondContact CA-O 3.47Å; F56-V82 HydrophobicContact CD1-CB 3.75Å; F56-V82 HydrophobicContact CD1-CG1 4.15Å; F56-V82 HydrophobicContact CE1-CB 3.88Å; F56-V82 HydrophobicContact CE1-CG1 4.14Å; F56-V82 HydrophobicContact CE1-CG2 4.29Å; T57-V82 PolarHBondContact N-O 3.09Å; V82-Y168 WeakPolarHBondContact CG1-OH 3.38Å
83K98.7Very high98.7Very high87 Ų8735.2 Ų35.238%0.37818%0.181SC..EExtended strand (participates in β ladder)trans-124.6138.5-171-46179.5177.356.10109.9T57 L59 I64 V81T57-K83 WeakPolarHBondContact O-CA 3.25Å; T57-K83 WeakPolarHBondContact OG1-CG 3.4Å; L59-K83 HydrophobicContact CD2-CB 3.87Å; I64-K83 HydrophobicContact CD1-CD 3.86Å; I64-K83 HydrophobicContact CG1-CD 4.09Å; V81-K83 PolarHBondContact O-NZ 3.12Å; V81-K83 VanDerWaalsContact O-NZ 3.15Å
84S98.8Very high98.6Very high12 Ų1235.6 Ų35.68%0.08418%0.184CC..  trans-152.1140.9178.9179.10000112.4T57 S58 R86 L87 Y168T57-S84 PolarHBondContact O-N 3.35Å; S58-S84 WeakPolarHBondContact CA-O 3.41Å; S84-R86 PolarHBondContact O-N 2.99Å; S84-R86 PolarHBondContact OG-N 3.44Å; S84-L87 PolarHBondContact O-N 3.27Å; S84-L87 VanDerWaalsContact O-N 3.1Å; S84-Y168 VanDerWaalsContact CB-CE2 3.5Å; S84-Y168 VanDerWaalsContact CB-CZ 3.45Å
85W98.8Very high98.5Very high12 Ų1235.5 Ų35.55%0.04518%0.184CC..G310 helixtrans-64.2-22.9175.677.8-87.7000111.4W25 L59 L87 N88 C145 D146 V147 L152 P153 R164W25-W85 AromaticContact CH2-CE3 3.53Å; W25-W85 HydrophobicContact CH2-CE3 3.53Å; W25-W85 AromaticContact CH2-CZ3 3.91Å; W25-W85 HydrophobicContact CH2-CZ3 3.91Å; W25-W85 AromaticContact CZ2-CE3 3.86Å; W25-W85 HydrophobicContact CZ2-CE3 3.86Å; W25-W85 HydrophobicContact CZ2-CZ3 4.15Å; L59-W85 HydrophobicContact CD1-CB 3.72Å; L59-W85 HydrophobicContact CG-CB 4.23Å; W85-L87 PolarHBondContact O-N 2.84Å; W85-L87 VanDerWaalsContact O-N 3.1Å; W85-N88 WeakPolarHBondContact O-CB 3.06Å; W85-N88 VanDerWaalsContact O-CG 3.27Å; W85-N88 PolarHBondContact O-N 2.83Å; W85-C145 HydrophobicContact CG-CB 4.44Å; W85-D146 PolarHBondContact NE1-OD1 2.91Å; W85-V147 HydrophobicContact CH2-CG2 4.38Å; W85-V147 HydrophobicContact CZ2-CG1 4.09Å; W85-V147 HydrophobicContact CZ2-CG2 3.58Å; W85-L152 HydrophobicContact CD2-CD2 3.86Å; W85-L152 HydrophobicContact CE3-CD2 3.93Å; W85-L152 HydrophobicContact CG-CD2 4.4Å; W85-L152 HydrophobicContact CH2-CD2 4.29Å; W85-L152 HydrophobicContact CZ2-CD2 4.26Å; W85-L152 HydrophobicContact CZ3-CD2 4.13Å; W85-P153 HydrophobicContact CZ3-CG 4.28Å; W85-R164 HydrophobicContact CH2-CB 3.94Å; W85-R164 HydrophobicContact CH2-CG 4.18Å; W85-R164 HydrophobicContact CZ3-CB 4.36Å; W85-R164 HydrophobicContact CZ3-CG 4.11Å
86R98.8Very high98.5Very high35 Ų3533.7 Ų33.713%0.13217%0.165CC..G310 helixtrans-66.6-9.2176.3-63178.9178.4-81.31.8113.4S84 D146 R164 Y168S84-R86 PolarHBondContact O-N 2.99Å; S84-R86 PolarHBondContact OG-N 3.44Å; R86-D146 IonicContact CZ-OD1 3.81Å; R86-D146 IonicContact CZ-OD2 2.63Å; R86-D146 IonicContact NE-OD1 2.86Å; R86-D146 IonicContact NE-OD2 3.96Å; R86-D146 PolarHBondContact NE-OD2 2.96Å; R86-D146 IonicContact NH2-OD1 3.61Å; R86-D146 IonicContact NH2-OD2 2.76Å; R86-D146 PolarHBondContact NH2-OD2 3.34Å; R86-R164 VanDerWaalsContact C-NH1 3.34Å; R86-R164 WeakPolarHBondContact CD-O 3.2Å; R86-R164 WeakPolarHBondContact CG-O 3.5Å; R86-R164 PolarHBondContact NH1-O 2.91Å; R86-R164 PolarHBondContact O-NH1 3.34Å; R86-Y168 HydrophobicContact CB-CG 4.16Å; R86-Y168 VanDerWaalsContact CD-CB 3.47Å
87L98.8Very high98.4Very high2 Ų233.2 Ų33.21%0.0117%0.165CC..G310 helixtrans-102.2-0.7168.7-70177.9000113.6F56 T57 S58 S84 W85 L165 Y168 I185 H188 S191 I195F56-L87 HydrophobicContact CB-CD1 3.72Å; T57-L87 WeakPolarHBondContact O-CD1 3.34Å; S58-L87 VanDerWaalsContact CB-C 3.43Å; S58-L87 WeakPolarHBondContact CB-O 3.29Å; S84-L87 PolarHBondContact O-N 3.27Å; S84-L87 VanDerWaalsContact O-N 3.1Å; W85-L87 PolarHBondContact O-N 2.84Å; W85-L87 VanDerWaalsContact O-N 3.1Å; L87-L165 HydrophobicContact CD2-CD1 4.02Å; L87-L165 HydrophobicContact CD2-CG 4.32Å; L87-Y168 HydrophobicContact CD1-CE1 3.83Å; L87-Y168 HydrophobicContact CG-CD1 4.23Å; L87-Y168 HydrophobicContact CG-CE1 3.98Å; L87-I185 HydrophobicContact CD1-CG2 4.22Å; L87-I185 HydrophobicContact CD2-CG2 4.3Å; L87-H188 PolarHBondContact O-CD2 3.14Å; L87-S191 WeakPolarHBondContact O-CB 3.44Å; L87-S191 PolarHBondContact O-OG 2.87Å; L87-S191 VanDerWaalsContact O-OG 3.07Å; L87-I195 HydrophobicContact CD2-CD1 4.22Å
88N98.9Very high98.3Very high0 Ų031 Ų310%016%0.157CC..SBendtrans-54.9155.3175.5-763.9000111.2W25 S58 L59 L60 W85 Y142 R164 S191W25-N88 HydrophobicContact CZ2-CB 4.15Å; S58-N88 VanDerWaalsContact CB-OD1 3.31Å; S58-N88 WeakPolarHBondContact CB-OD1 3.42Å; L59-N88 PolarHBondContact N-OD1 3.47Å; L60-N88 HydrophobicContact CD1-CB 4.31Å; W85-N88 WeakPolarHBondContact O-CB 3.06Å; W85-N88 VanDerWaalsContact O-CG 3.27Å; W85-N88 PolarHBondContact O-N 2.83Å; N88-Y142 PolarHBondContact ND2-OH 3.47Å; N88-R164 PolarHBondContact O-NH1 3.47Å; N88-R164 VanDerWaalsContact O-NH1 3.16Å; N88-R164 PolarHBondContact O-NH2 3.12Å; N88-S191 WeakPolarHBondContact O-CB 3.45Å
89E98.6Very high98.1Very high17 Ų1723.5 Ų23.58%0.07913%0.131CC..PPolyproline II helixtrans-54.9159.9169.2-173.453.5-73.700110.7W25 L60 H91 R164 H188 G189 N190W25-E89 VanDerWaalsContact CD1-O 3.3Å; W25-E89 PolarHBondContact NE1-O 2.83Å; L60-E89 HydrophobicContact CD1-CB 4.4Å; E89-H91 PolarHBondContact O-N 3.11Å; E89-R164 PolarHBondContact O-NH2 3.09Å; E89-H188 HydrophobicContact CB-CB 3.65Å; E89-H188 VanDerWaalsContact CD-CB 3.4Å; E89-H188 HydrophobicContact CG-CB 4Å; E89-H188 PolarHBondContact N-CD2 3.34Å; E89-H188 VanDerWaalsContact OE2-CB 3.3Å; E89-H188 WeakPolarHBondContact OE2-CB 3.31Å; E89-G189 PolarHBondContact OE2-N 3.49Å; E89-N190 WeakPolarHBondContact OE1-CA 3.32Å; E89-N190 WeakPolarHBondContact OE1-CB 3.38Å; E89-N190 PolarHBondContact OE1-N 2.87Å; E89-N190 PolarHBondContact OE1-ND2 2.78Å
90R98.4Very high97.7Very high2 Ų224 Ų241%0.00813%0.132CC..PPolyproline II helixtrans-54.7132170.1179177.8177.5-104.49.3111.3S24 Y92 W115 I121 P123 E156 V161 N190S24-R90 PolarHBondContact OG-O 3.38Å; S24-R90 VanDerWaalsContact OG-O 3.09Å; R90-Y92 PolarHBondContact O-N 3.46Å; R90-W115 PolarHBondContact NH1-O 3.05Å; R90-W115 PolarHBondContact NH2-O 3.08Å; R90-I121 PolarHBondContact NH2-O 3.34Å; R90-P123 VanDerWaalsContact NH2-CD 3.25Å; R90-E156 WeakPolarHBondContact CD-O 3.45Å; R90-E156 HydrophobicContact CG-CB 4.14Å; R90-E156 VanDerWaalsContact CG-O 3.23Å; R90-E156 WeakPolarHBondContact CG-O 3.28Å; R90-E156 PolarHBondContact NE-O 3.25Å; R90-E156 PolarHBondContact NH2-O 2.92Å; R90-V161 HydrophobicContact CB-CG2 3.71Å; R90-V161 HydrophobicContact CG-CG2 3.84Å; R90-N190 HydrophobicContact CB-CB 3.74Å
91H98.6Very high97.3Very high0 Ų021 Ų210%011%0.113CC..  trans-71.6105172.5-158.5-69.3000111.1S24 W25 E89 G93 Y137 P153 R154 A155 E156S24-H91 WeakPolarHBondContact OG-CA 3.25Å; W25-H91 AromaticContact CD1-CD2 3.78Å; W25-H91 AromaticContact CD2-CD2 3.47Å; W25-H91 VanDerWaalsContact CD2-CD2 3.47Å; W25-H91 AromaticContact CE2-CD2 3.8Å; W25-H91 AromaticContact CE3-CD2 3.9Å; W25-H91 AromaticContact CG-CD2 3.48Å; W25-H91 VanDerWaalsContact CG-CD2 3.48Å; W25-H91 AromaticContact NE1-CD2 3.96Å; E89-H91 PolarHBondContact O-N 3.11Å; H91-G93 WeakPolarHBondContact ND1-CA 3.42Å; H91-G93 PolarHBondContact ND1-N 2.99Å; H91-G93 PolarHBondContact O-N 3.28Å; H91-Y137 PolarHBondContact CE1-OH 3.14Å; H91-Y137 AromaticContact NE2-CZ 3.93Å; H91-Y137 PolarHBondContact NE2-OH 3.44Å; H91-P153 HydrophobicContact CB-CG 4.45Å; H91-R154 PolarHBondContact CE1-O 2.89Å; H91-R154 VanDerWaalsContact CE1-O 3.23Å; H91-R154 PolarHBondContact ND1-O 3.11Å; H91-A155 CarbonylContact O-C 3.58Å; H91-A155 WeakPolarHBondContact O-CA 3.32Å; H91-E156 HydrophobicContact CB-CB 4.23Å; H91-E156 HydrophobicContact CB-CG 3.8Å; H91-E156 PolarHBondContact N-OE2 3.18Å; H91-E156 PolarHBondContact O-N 2.96Å
92Y98.3Very high96.9Very high13 Ų1324.7 Ų24.75%0.05113%0.128CC..  trans-76.6-0.8179.1-86.9-81.2000115.1F22 S24 R90 A94 L95 P123F22-Y92 HydrophobicContact CB-CG 4.39Å; F22-Y92 AromaticContact CD1-CD1 3.46Å; F22-Y92 HydrophobicContact CD1-CD1 3.46Å; F22-Y92 VanDerWaalsContact CD1-CD1 3.46Å; F22-Y92 HydrophobicContact CD1-CD2 4.05Å; F22-Y92 AromaticContact CD1-CE1 3.41Å; F22-Y92 HydrophobicContact CD1-CE1 3.41Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.41Å; F22-Y92 HydrophobicContact CD1-CE2 4.03Å; F22-Y92 AromaticContact CD1-CG 3.78Å; F22-Y92 HydrophobicContact CD1-CG 3.78Å; F22-Y92 AromaticContact CD1-CZ 3.73Å; F22-Y92 AromaticContact CE1-CD1 3.69Å; F22-Y92 HydrophobicContact CE1-CD1 3.69Å; F22-Y92 AromaticContact CE1-CE1 3.28Å; F22-Y92 HydrophobicContact CE1-CE1 3.28Å; F22-Y92 HydrophobicContact CE1-CG 4.45Å; F22-Y92 AromaticContact CE1-CZ 3.78Å; F22-Y92 HydrophobicContact CG-CD1 4.26Å; F22-Y92 HydrophobicContact CG-CG 4.38Å; F22-Y92 HydrophobicContact CZ-CE1 4.35Å; S24-Y92 PolarHBondContact OG-N 2.99Å; R90-Y92 PolarHBondContact O-N 3.46Å; Y92-A94 PolarHBondContact O-N 3.38Å; Y92-L95 HydrophobicContact CD1-CB 4.49Å; Y92-L95 HydrophobicContact CD1-CD1 4.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.36Å; Y92-L95 PolarHBondContact O-N 2.76Å; Y92-L95 VanDerWaalsContact O-N 3.12Å; Y92-P123 WeakPolarHBondContact O-CB 3.13Å
93G98.2Very high96.5Very high0 Ų022.5 Ų22.50%012%0.115CC..G310 helixtrans59.1-133174.600000113.1H91 L95 I96 P124 R154H91-G93 WeakPolarHBondContact ND1-CA 3.42Å; H91-G93 PolarHBondContact ND1-N 2.99Å; H91-G93 PolarHBondContact O-N 3.28Å; G93-L95 PolarHBondContact O-N 3.37Å; G93-L95 VanDerWaalsContact O-N 3.09Å; G93-I96 WeakPolarHBondContact O-CB 3.39Å; G93-I96 WeakPolarHBondContact O-CD1 3.46Å; G93-I96 WeakPolarHBondContact O-CG1 3.5Å; G93-I96 PolarHBondContact O-N 2.96Å; G93-I96 VanDerWaalsContact O-N 3.12Å; G93-P124 CarbonylContact C-O 3.38Å; G93-P124 VanDerWaalsContact CA-O 3.31Å; G93-P124 WeakPolarHBondContact CA-O 3.1Å; G93-R154 WeakPolarHBondContact CA-O 3.43Å
94A97.5Very high96Very high32 Ų3218.6 Ų18.626%0.26410%0.098SC..G310 helixtrans-66.5-8.2179.500000114.1Y92 I96 P124Y92-A94 PolarHBondContact O-N 3.38Å; A94-I96 PolarHBondContact O-N 2.96Å; A94-P124 HydrophobicContact CB-CB 4.15Å; A94-P124 PolarHBondContact N-O 2.91Å
95L96.8Very high95.4Very high6 Ų623.7 Ų23.73%0.03112%0.124CC..G310 helixtrans-78-11174.2-56.5-174.2000112.7F22 Y92 G93 G97 L98 M103 W115 P123F22-L95 VanDerWaalsContact CB-O 3.29Å; F22-L95 WeakPolarHBondContact CB-O 3.39Å; F22-L95 HydrophobicContact CD2-CB 4.13Å; F22-L95 WeakPolarHBondContact CD2-O 3.31Å; F22-L95 HydrophobicContact CE2-CB 4.43Å; F22-L95 HydrophobicContact CG-CB 4.4Å; Y92-L95 HydrophobicContact CD1-CB 4.49Å; Y92-L95 HydrophobicContact CD1-CD1 4.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.36Å; Y92-L95 PolarHBondContact O-N 2.76Å; Y92-L95 VanDerWaalsContact O-N 3.12Å; G93-L95 PolarHBondContact O-N 3.37Å; G93-L95 VanDerWaalsContact O-N 3.09Å; L95-G97 PolarHBondContact O-N 3.21Å; L95-L98 HydrophobicContact CD2-CD1 4.17Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-L98 VanDerWaalsContact O-N 3.1Å; L95-M103 HydrophobicContact CD2-CE 3.7Å; L95-W115 HydrophobicContact CD1-CB 4.03Å; L95-W115 HydrophobicContact CD1-CD2 3.86Å; L95-W115 HydrophobicContact CD1-CE3 3.96Å; L95-W115 HydrophobicContact CD1-CG 3.93Å; L95-P123 HydrophobicContact CD1-CB 3.85Å; L95-P123 HydrophobicContact CG-CB 4.09Å
96I98.2Very high94.9Very high2 Ų229.8 Ų29.81%0.0115%0.153CC..THydrogen-bonded Turntrans-57.9130-177.4-70.1175.1000110.5W16 S24 V26 G93 A94 L98 I126 H130 Y132 I136W16-I96 HydrophobicContact CZ3-CG2 4.36Å; S24-I96 VanDerWaalsContact CB-CG1 3.48Å; S24-I96 WeakPolarHBondContact OG-CD1 3.34Å; V26-I96 HydrophobicContact CG2-CG2 3.37Å; G93-I96 WeakPolarHBondContact O-CB 3.39Å; G93-I96 WeakPolarHBondContact O-CD1 3.46Å; G93-I96 WeakPolarHBondContact O-CG1 3.5Å; G93-I96 PolarHBondContact O-N 2.96Å; G93-I96 VanDerWaalsContact O-N 3.12Å; A94-I96 PolarHBondContact O-N 2.96Å; I96-L98 PolarHBondContact O-N 2.82Å; I96-I126 HydrophobicContact CD1-CD1 4.46Å; I96-H130 PolarHBondContact O-CE1 2.83Å; I96-H130 VanDerWaalsContact O-CE1 3.29Å; I96-H130 PolarHBondContact O-NE2 2.62Å; I96-Y132 HydrophobicContact CG2-CD2 4.07Å; I96-Y132 HydrophobicContact CG2-CG 4.32Å; I96-I136 HydrophobicContact CD1-CD1 3.89Å
97G96.8Very high94.3Very high9 Ų932.1 Ų32.19%0.09317%0.165CC..THydrogen-bonded Turntrans81-9.4-179.400000115.1W16 R21 F22 L95W16-G97 VanDerWaalsContact CZ3-CA 3.4Å; R21-G97 VanDerWaalsContact CZ-O 3.29Å; R21-G97 PolarHBondContact NE-O 2.68Å; R21-G97 PolarHBondContact NH2-O 2.87Å; F22-G97 PolarHBondContact O-N 3.44Å; L95-G97 PolarHBondContact O-N 3.21Å
98L95.9Very high93.9Very high70 Ų7033.6 Ų33.637%0.36618%0.181SC..  trans-77147.9174.4-55.1-177.2000111.3R21 F22 L95 I96 M103R21-L98 VanDerWaalsContact CA-O 3.28Å; R21-L98 WeakPolarHBondContact CA-O 3.45Å; F22-L98 HydrophobicContact CD2-CB 4.47Å; F22-L98 WeakPolarHBondContact CD2-O 3.45Å; F22-L98 PolarHBondContact N-O 2.91Å; L95-L98 HydrophobicContact CD2-CD1 4.17Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-L98 VanDerWaalsContact O-N 3.1Å; I96-L98 PolarHBondContact O-N 2.82Å; L98-M103 HydrophobicContact CB-CG 4.01Å; L98-M103 HydrophobicContact CB-SD 4.24Å; L98-M103 HydrophobicContact CD1-CE 4.29Å; L98-M103 HydrophobicContact CD1-CG 4.36Å; L98-M103 HydrophobicContact CD1-SD 3.57Å; L98-M103 VanDerWaalsContact CD1-SD 3.57Å
99N95.1Very high93.4Very high32 Ų3237.9 Ų37.917%0.17120%0.201CC..BIsolated β-bridgetrans-78132.9174.6-167.7-64.2000110.7E19 N20 A101 E102 M103E19-N99 PolarHBondContact O-ND2 2.69Å; N20-N99 WeakPolarHBondContact O-CA 3.22Å; N99-A101 PolarHBondContact O-N 3.04Å; N99-A101 WeakPolarHBondContact OD1-CB 3.47Å; N99-A101 PolarHBondContact OD1-N 3.08Å; N99-E102 HydrophobicContact CB-CB 4Å; N99-E102 VanDerWaalsContact CB-CD 3.42Å; N99-E102 HydrophobicContact CB-CG 3.81Å; N99-E102 VanDerWaalsContact CB-OE2 3.23Å; N99-E102 WeakPolarHBondContact CB-OE2 3.42Å; N99-E102 PolarHBondContact O-N 2.99Å; N99-M103 WeakPolarHBondContact O-CB 3.3Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 3.08Å
100R91.3Very high93Very high15 Ų1543.6 Ų43.66%0.05723%0.227CC..Hα-helixtrans-66.1-36.1-177.2-59.4-175.3-174.976.97.7113.2N20 R21 F22 A104 Q251N20-R100 WeakPolarHBondContact O-CG 3.47Å; N20-R100 PolarHBondContact O-N 3.43Å; N20-R100 PolarHBondContact O-NH1 3Å; N20-R100 WeakPolarHBondContact OD1-CD 3.35Å; N20-R100 PolarHBondContact OD1-NH1 3.14Å; R21-R100 VanDerWaalsContact O-CZ 3.22Å; R21-R100 PolarHBondContact O-NH1 2.66Å; R21-R100 VanDerWaalsContact O-NH1 3.07Å; R21-R100 PolarHBondContact O-NH2 3.49Å; F22-R100 HydrophobicContact CD1-CG 4.32Å; F22-R100 HydrophobicContact CD2-CG 4Å; F22-R100 HydrophobicContact CE1-CG 3.98Å; F22-R100 HydrophobicContact CE2-CB 4.33Å; F22-R100 HydrophobicContact CE2-CG 3.65Å; F22-R100 HydrophobicContact CG-CG 4.33Å; F22-R100 HydrophobicContact CZ-CB 4.4Å; F22-R100 HydrophobicContact CZ-CG 3.64Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 2.74Å; R100-Q251 VanDerWaalsContact CB-O 3.3Å; R100-Q251 WeakPolarHBondContact CB-O 3.31Å
101A88.9Confident92.6Very high8 Ų848.2 Ų48.27%0.06625%0.248CC..Hα-helixtrans-73.4-38.8-179.500000111.1N99 A104 L105N99-A101 PolarHBondContact O-N 3.04Å; N99-A101 WeakPolarHBondContact OD1-CB 3.47Å; N99-A101 PolarHBondContact OD1-N 3.08Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.02Å; A101-A104 VanDerWaalsContact O-N 3.16Å; A101-L105 WeakPolarHBondContact O-CG 3.49Å; A101-L105 PolarHBondContact O-N 3.32Å
102E90.4Very high92.1Very high110 Ų11048.2 Ų48.251%0.51425%0.248SC..Hα-helixtrans-63.9-42.9173.7-65.3167-17500111N99 A104 L105 Q106N99-E102 HydrophobicContact CB-CB 4Å; N99-E102 VanDerWaalsContact CB-CD 3.42Å; N99-E102 HydrophobicContact CB-CG 3.81Å; N99-E102 VanDerWaalsContact CB-OE2 3.23Å; N99-E102 WeakPolarHBondContact CB-OE2 3.42Å; N99-E102 PolarHBondContact O-N 2.99Å; E102-A104 PolarHBondContact O-N 3.46Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.05Å; E102-L105 VanDerWaalsContact O-N 3.13Å; E102-Q106 WeakPolarHBondContact O-CG 3.42Å; E102-Q106 PolarHBondContact O-N 2.97Å
103M90.3Very high91.6Very high9 Ų953.3 Ų53.34%0.04427%0.27CS..Hα-helixtrans-60.8-34.2173.2-71.4-61.1-64.200112.3F22 L95 L98 N99 Q106 H107 V112 W115F22-M103 HydrophobicContact CE2-CG 4.38Å; L95-M103 HydrophobicContact CD2-CE 3.7Å; L98-M103 HydrophobicContact CB-CG 4.01Å; L98-M103 HydrophobicContact CB-SD 4.24Å; L98-M103 HydrophobicContact CD1-CE 4.29Å; L98-M103 HydrophobicContact CD1-CG 4.36Å; L98-M103 HydrophobicContact CD1-SD 3.57Å; L98-M103 VanDerWaalsContact CD1-SD 3.57Å; N99-M103 WeakPolarHBondContact O-CB 3.3Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 3.08Å; M103-Q106 PolarHBondContact O-N 2.87Å; M103-H107 WeakPolarHBondContact CE-CD2 3.42Å; M103-H107 WeakPolarHBondContact CE-NE2 3.45Å; M103-H107 WeakPolarHBondContact O-CB 3.41Å; M103-H107 PolarHBondContact O-N 2.75Å; M103-V112 HydrophobicContact CB-CG2 3.81Å; M103-W115 HydrophobicContact CE-CE3 4.42Å; M103-W115 HydrophobicContact CE-CH2 4.03Å; M103-W115 HydrophobicContact CE-CZ3 3.55Å
104A89.4Confident91.3Very high4 Ų457.7 Ų57.73%0.03329%0.291CS..Hα-helixtrans-70-34.9176.900000111.8R100 A101 E102 G108 E109 V112R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 2.74Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.02Å; A101-A104 VanDerWaalsContact O-N 3.16Å; E102-A104 PolarHBondContact O-N 3.46Å; A104-G108 CarbonylContact O-C 3.56Å; A104-G108 WeakPolarHBondContact O-CA 3.02Å; A104-G108 PolarHBondContact O-N 2.97Å; A104-E109 HydrophobicContact CB-CG 4.23Å; A104-V112 HydrophobicContact CB-CG2 4.18Å
105L86.2Confident91Very high120 Ų12057.4 Ų57.463%0.62828%0.283SS*.Hα-helixtrans-67.7-43172.5-68.9169.4000111.8A101 E102 A254A101-L105 WeakPolarHBondContact O-CG 3.49Å; A101-L105 PolarHBondContact O-N 3.32Å; E102-L105 WeakPolarHBondContact O-CB 3.44Å; E102-L105 PolarHBondContact O-N 3.05Å; E102-L105 VanDerWaalsContact O-N 3.13Å; L105-A254 HydrophobicContact CD2-CB 3.8Å; L105-A254 HydrophobicContact CG-CB 4.31Å
106Q87.8Confident90.7Very high140 Ų14058 Ų5865%0.65429%0.285SS*.Hα-helixtrans-77.3-37-175.7-69.3175.91.300113.6E102 M103E102-Q106 WeakPolarHBondContact O-CG 3.42Å; E102-Q106 PolarHBondContact O-N 2.97Å; M103-Q106 PolarHBondContact O-N 2.87Å
107H86.6Confident90.4Very high84 Ų8458.9 Ų58.939%0.38929%0.288SS..Hα-helixtrans-120.7-2-170.2-60.2-73.9000114.2M103 K111 W115M103-H107 WeakPolarHBondContact CE-CD2 3.42Å; M103-H107 WeakPolarHBondContact CE-NE2 3.45Å; M103-H107 WeakPolarHBondContact O-CB 3.41Å; M103-H107 PolarHBondContact O-N 2.75Å; H107-K111 HydrophobicContact CB-CB 4.49Å; H107-K111 HydrophobicContact CB-CD 4.31Å; H107-K111 WeakPolarHBondContact O-CB 3Å; H107-W115 HydrophobicContact CB-CH2 4.32Å; H107-W115 HydrophobicContact CB-CZ3 4.17Å
108G89.2Confident90.2Very high33 Ų3359.8 Ų59.834%0.3429%0.293SS..  trans84.1146-176.700000113.7A104 Q110 K111 V112A104-G108 CarbonylContact O-C 3.56Å; A104-G108 WeakPolarHBondContact O-CA 3.02Å; A104-G108 PolarHBondContact O-N 2.97Å; G108-Q110 VanDerWaalsContact C-N 3.27Å; G108-Q110 PolarHBondContact O-N 3.13Å; G108-K111 PolarHBondContact O-N 3.48Å; G108-V112 PolarHBondContact O-N 2.96Å
109E89.4Confident90.2Very high89 Ų8957.6 Ų57.642%0.41628%0.28SS..Hα-helixtrans-58.6-36.4-178.6-63.6-169.2168.200113A104 K111 V112 K113 K253 A254A104-E109 HydrophobicContact CB-CG 4.23Å; E109-K111 PolarHBondContact O-N 3.42Å; E109-V112 PolarHBondContact O-N 3.18Å; E109-K113 VanDerWaalsContact O-CB 3.26Å; E109-K113 WeakPolarHBondContact O-CB 2.89Å; E109-K113 PolarHBondContact O-N 3.09Å; E109-K253 WeakPolarHBondContact OE1-CA 3.49Å; E109-A254 PolarHBondContact OE1-N 2.94Å
110Q89.8Confident90.2Very high137 Ų13760.5 Ų60.564%0.6430%0.295SS*.Hα-helixtrans-63.2-42.4-179.5-68.8-63.3-14.600111.9G108 K113 Q114G108-Q110 VanDerWaalsContact C-N 3.27Å; G108-Q110 PolarHBondContact O-N 3.13Å; Q110-K113 PolarHBondContact O-N 3.23Å; Q110-Q114 WeakPolarHBondContact O-CB 3.22Å; Q110-Q114 WeakPolarHBondContact O-CG 3.04Å; Q110-Q114 PolarHBondContact O-N 2.98Å
111K89.4Confident90.4Very high99 Ų9962.3 Ų62.343%0.4331%0.306SS..Hα-helixtrans-69.5-40179.5-167.5159178.6174.20111.4H107 G108 E109 Q114 W115H107-K111 HydrophobicContact CB-CB 4.49Å; H107-K111 HydrophobicContact CB-CD 4.31Å; H107-K111 WeakPolarHBondContact O-CB 3Å; G108-K111 PolarHBondContact O-N 3.48Å; E109-K111 PolarHBondContact O-N 3.42Å; K111-Q114 WeakPolarHBondContact O-CB 3.34Å; K111-Q114 PolarHBondContact O-N 3.06Å; K111-W115 HydrophobicContact CD-CH2 4.02Å; K111-W115 HydrophobicContact CD-CZ2 4.14Å; K111-W115 HydrophobicContact CG-CD2 4.27Å; K111-W115 HydrophobicContact CG-CE3 4.19Å; K111-W115 HydrophobicContact CG-CH2 3.83Å; K111-W115 HydrophobicContact CG-CZ2 3.91Å; K111-W115 HydrophobicContact CG-CZ3 3.95Å; K111-W115 PolarHBondContact O-N 2.7Å
112V88.1Confident90.6Very high1 Ų164 Ų641%0.00632%0.317CS..Hα-helixtrans-65.2-40.2173.1176.30000111.7M103 A104 G108 E109 W115 R116M103-V112 HydrophobicContact CB-CG2 3.81Å; A104-V112 HydrophobicContact CB-CG2 4.18Å; G108-V112 PolarHBondContact O-N 2.96Å; E109-V112 PolarHBondContact O-N 3.18Å; V112-W115 HydrophobicContact CG2-CE3 4.34Å; V112-W115 HydrophobicContact CG2-CZ3 4.44Å; V112-W115 PolarHBondContact O-N 2.86Å; V112-R116 HydrophobicContact CG1-CG 4.29Å; V112-R116 WeakPolarHBondContact O-CB 3.47Å; V112-R116 WeakPolarHBondContact O-CG 3.49Å; V112-R116 PolarHBondContact O-N 3.33Å
113K88.8Confident90.8Very high119 Ų11959.1 Ų59.152%0.51730%0.295SS..Hα-helixtrans-62-44.7174.7-173.1178.8-179.9-177.20110.8E109 Q110 R116 R117E109-K113 VanDerWaalsContact O-CB 3.26Å; E109-K113 WeakPolarHBondContact O-CB 2.89Å; E109-K113 PolarHBondContact O-N 3.09Å; Q110-K113 PolarHBondContact O-N 3.23Å; K113-R116 PolarHBondContact O-N 3Å; K113-R117 HydrophobicContact CG-CG 4.48Å; K113-R117 WeakPolarHBondContact O-CB 3.31Å; K113-R117 PolarHBondContact O-N 3.37Å
114Q90.6Very high91.1Very high93 Ų9361.9 Ų61.944%0.43531%0.313SS..Hα-helixtrans-56.4-53.7173.9-79.7176.6-7.700111.3Q110 K111 R116 R117 S118 I121Q110-Q114 WeakPolarHBondContact O-CB 3.22Å; Q110-Q114 WeakPolarHBondContact O-CG 3.04Å; Q110-Q114 PolarHBondContact O-N 2.98Å; K111-Q114 WeakPolarHBondContact O-CB 3.34Å; K111-Q114 PolarHBondContact O-N 3.06Å; Q114-R116 PolarHBondContact O-N 2.76Å; Q114-R117 PolarHBondContact O-N 3.4Å; Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.14Å; Q114-I121 HydrophobicContact CB-CD1 3.67Å; Q114-I121 HydrophobicContact CG-CD1 3.77Å
115W91.4Very high91.5Very high25 Ų2567.3 Ų67.310%0.09534%0.341CS..Hα-helixtrans-60.9-28.9177.4-71.9-40.3000114.1R90 L95 M103 H107 K111 V112R90-W115 PolarHBondContact NH1-O 3.05Å; R90-W115 PolarHBondContact NH2-O 3.08Å; L95-W115 HydrophobicContact CD1-CB 4.03Å; L95-W115 HydrophobicContact CD1-CD2 3.86Å; L95-W115 HydrophobicContact CD1-CE3 3.96Å; L95-W115 HydrophobicContact CD1-CG 3.93Å; M103-W115 HydrophobicContact CE-CE3 4.42Å; M103-W115 HydrophobicContact CE-CH2 4.03Å; M103-W115 HydrophobicContact CE-CZ3 3.55Å; H107-W115 HydrophobicContact CB-CH2 4.32Å; H107-W115 HydrophobicContact CB-CZ3 4.17Å; K111-W115 HydrophobicContact CD-CH2 4.02Å; K111-W115 HydrophobicContact CD-CZ2 4.14Å; K111-W115 HydrophobicContact CG-CD2 4.27Å; K111-W115 HydrophobicContact CG-CE3 4.19Å; K111-W115 HydrophobicContact CG-CH2 3.83Å; K111-W115 HydrophobicContact CG-CZ2 3.91Å; K111-W115 HydrophobicContact CG-CZ3 3.95Å; K111-W115 PolarHBondContact O-N 2.7Å; V112-W115 HydrophobicContact CG2-CE3 4.34Å; V112-W115 HydrophobicContact CG2-CZ3 4.44Å; V112-W115 PolarHBondContact O-N 2.86Å
116R91.5Very high92.1Very high19 Ų1961.9 Ų61.97%0.07231%0.313CS..Hα-helixtrans-85.1-34.9-179.1-73.817573.8-147.86.5113.3F22 V112 K113 Q114 R193 V248 G252F22-R116 HydrophobicContact CE1-CG 3.79Å; F22-R116 HydrophobicContact CZ-CG 4.06Å; V112-R116 HydrophobicContact CG1-CG 4.29Å; V112-R116 WeakPolarHBondContact O-CB 3.47Å; V112-R116 WeakPolarHBondContact O-CG 3.49Å; V112-R116 PolarHBondContact O-N 3.33Å; K113-R116 PolarHBondContact O-N 3Å; Q114-R116 PolarHBondContact O-N 2.76Å; R116-R193 PolarHBondContact O-NH1 3.44Å; R116-V248 PolarHBondContact NH2-O 3.01Å; R116-G252 VanDerWaalsContact NH1-N 3.16Å
117R91Very high92.5Very high20 Ų2059.3 Ų59.38%0.07530%0.304CS..Hα-helixtrans-125.7-25.2-160.6-60.5-60.6-174.9142.110.4114.5K113 Q114 R193 A208 V210 T211K113-R117 HydrophobicContact CG-CG 4.48Å; K113-R117 WeakPolarHBondContact O-CB 3.31Å; K113-R117 PolarHBondContact O-N 3.37Å; Q114-R117 PolarHBondContact O-N 3.4Å; R117-R193 PolarHBondContact O-NH2 2.93Å; R117-A208 HydrophobicContact CB-CB 3.97Å; R117-A208 WeakPolarHBondContact O-CA 3.37Å; R117-V210 PolarHBondContact NH1-O 2.95Å; R117-T211 VanDerWaalsContact CZ-OG1 3.25Å; R117-T211 PolarHBondContact NH1-OG1 3.29Å; R117-T211 PolarHBondContact NH2-OG1 3.36Å
118S92.9Very high93Very high29 Ų2962.5 Ų62.520%0.20332%0.319CS..  trans-59.1146.8179.9179.90000111.6Q114 N120 I121Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.14Å; S118-N120 PolarHBondContact OG-N 3.05Å; S118-I121 WeakPolarHBondContact OG-CG1 3.37Å; S118-I121 PolarHBondContact OG-N 3.48Å
119Y96.2Very high93.5Very high24 Ų2465.9 Ų65.99%0.09434%0.337CS..SBendtrans-71.5-47.2173.5-175.1-121.6000112.4L158 K159 L162 K197 D204 I207Y119-L158 HydrophobicContact CD2-CB 4.07Å; Y119-L158 HydrophobicContact CD2-CD2 4.19Å; Y119-L158 HydrophobicContact CD2-CG 4.14Å; Y119-L158 PolarHBondContact O-N 3.04Å; Y119-L158 VanDerWaalsContact O-N 3.14Å; Y119-K159 HydrophobicContact CD1-CB 4.16Å; Y119-K159 HydrophobicContact CD2-CB 4.21Å; Y119-K159 HydrophobicContact CE1-CB 3.77Å; Y119-K159 HydrophobicContact CE1-CD 4.13Å; Y119-K159 HydrophobicContact CE1-CG 3.92Å; Y119-K159 VanDerWaalsContact CE2-CA 3.45Å; Y119-K159 HydrophobicContact CE2-CB 3.8Å; Y119-K159 HydrophobicContact CE2-CG 4.42Å; Y119-K159 HydrophobicContact CG-CB 4.39Å; Y119-K159 PolarHBondContact O-N 2.96Å; Y119-L162 HydrophobicContact CE2-CD2 4.39Å; Y119-K197 HydrophobicContact CD2-CD 3.72Å; Y119-K197 VanDerWaalsContact CD2-CE 3.46Å; Y119-K197 HydrophobicContact CE2-CD 3.45Å; Y119-K197 VanDerWaalsContact CE2-CD 3.45Å; Y119-D204 HydrophobicContact CD1-CB 3.82Å; Y119-D204 VanDerWaalsContact CD1-OD1 3.31Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.29Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.28Å; Y119-D204 VanDerWaalsContact CE1-CG 3.47Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.29Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.45Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y119-D204 HydrophobicContact CG-CB 4.26Å; Y119-I207 HydrophobicContact CD2-CG2 4.48Å
120N95.8Very high93.9Very high92 Ų9262.9 Ų62.949%0.49232%0.323SS..SBendtrans-98-17.8-166.5-66.1-48.9000114.4S118 S122S118-N120 PolarHBondContact OG-N 3.05Å; N120-S122 PolarHBondContact O-N 2.86Å
121I94.4Very high94.3Very high54 Ų5461.6 Ų61.628%0.27733%0.327SS..  trans-82.8115.2-174.4-62.5171.5000110.2R90 Q114 S118R90-I121 PolarHBondContact NH2-O 3.34Å; Q114-I121 HydrophobicContact CB-CD1 3.67Å; Q114-I121 HydrophobicContact CG-CD1 3.77Å; S118-I121 WeakPolarHBondContact OG-CG1 3.37Å; S118-I121 PolarHBondContact OG-N 3.48Å
122S93.8Very high94.7Very high44 Ų4459.5 Ų59.531%0.30832%0.316SS..PPolyproline II helixtrans-84.5142.3171.5-150.90000110.3N120 S157 E160N120-S122 PolarHBondContact O-N 2.86Å; S122-S157 PolarHBondContact OG-N 3.4Å; S122-E160 PolarHBondContact OG-OE2 3.34Å; S122-E160 VanDerWaalsContact OG-OE2 3.08Å
123P95.3Very high95.2Very high7 Ų760.9 Ų60.95%0.04532%0.322CS..PPolyproline II helixtrans-72.3167.1170.215.5-1.5000111R90 Y92 L95 A155 E156R90-P123 VanDerWaalsContact NH2-CD 3.25Å; Y92-P123 WeakPolarHBondContact O-CB 3.13Å; L95-P123 HydrophobicContact CD1-CB 3.85Å; L95-P123 HydrophobicContact CG-CB 4.09Å; P123-A155 HydrophobicContact CG-CB 4.03Å; P123-A155 WeakPolarHBondContact O-CB 3.46Å; P123-E156 VanDerWaalsContact CD-O 3.26Å; P123-E156 WeakPolarHBondContact CD-O 3.34Å
124P95.7Very high95.6Very high66 Ų6659 Ų5943%0.42932%0.32SS..PPolyproline II helixtrans-59.5144.7172.4-19.231.5000111.6G93 A94G93-P124 CarbonylContact C-O 3.38Å; G93-P124 VanDerWaalsContact CA-O 3.31Å; G93-P124 WeakPolarHBondContact CA-O 3.1Å; A94-P124 HydrophobicContact CB-CB 4.15Å; A94-P124 PolarHBondContact N-O 2.91Å
125L97.8Very high96Very high119 Ų11959 Ų5962%0.62332%0.32SS*.PPolyproline II helixtrans-65141.9-179-56.9177.4000111.4R154 A155L125-R154 HydrophobicContact CB-CB 4.21Å; L125-R154 HydrophobicContact CD2-CB 4.09Å; L125-A155 HydrophobicContact CD2-CB 3.82Å
126I98.3Very high96.3Very high5 Ų558 Ų583%0.02632%0.316CS..PPolyproline II helixtrans-74.1141.6165.4-163.3178000109.7I96 H130 Y133 I136 Y137 R154I96-I126 HydrophobicContact CD1-CD1 4.46Å; I126-H130 HydrophobicContact CD1-CB 3.95Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.46Å; I126-H130 HydrophobicContact CG1-CB 3.44Å; I126-H130 VanDerWaalsContact CG1-CB 3.44Å; I126-Y133 HydrophobicContact CD1-CD2 4.21Å; I126-Y133 HydrophobicContact CG1-CD2 4.09Å; I126-Y133 HydrophobicContact CG2-CD2 4.05Å; I126-Y133 HydrophobicContact CG2-CE2 4.4Å; I126-I136 HydrophobicContact CD1-CD1 4.34Å; I126-Y137 HydrophobicContact CG2-CE2 3.78Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.28Å; I126-R154 HydrophobicContact CG2-CB 3.99Å; I126-R154 HydrophobicContact CG2-CG 4.5Å; I126-R154 WeakPolarHBondContact CG2-O 3.33Å; I126-R154 PolarHBondContact N-O 3.07Å; I126-R154 VanDerWaalsContact N-O 3.09Å
127D97.3Very high96.6Very high87 Ų8757.1 Ų57.147%0.46531%0.313SS..  trans-121.7175.6172.56644.3000111.7S129 H130 Y133D127-S129 PolarHBondContact O-N 2.91Å; D127-S129 WeakPolarHBondContact OD1-CA 3.21Å; D127-S129 VanDerWaalsContact OD1-CB 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.47Å; D127-S129 PolarHBondContact OD1-N 3.2Å; D127-S129 PolarHBondContact OD1-OG 3.2Å; D127-H130 VanDerWaalsContact O-CB 3.24Å; D127-H130 WeakPolarHBondContact O-CB 3.45Å; D127-H130 PolarHBondContact O-N 3.04Å; D127-H130 VanDerWaalsContact O-N 3.08Å; D127-H130 PolarHBondContact OD1-N 2.84Å; D127-Y133 VanDerWaalsContact C-CD2 3.45Å; D127-Y133 VanDerWaalsContact O-CB 3.27Å; D127-Y133 WeakPolarHBondContact O-CB 3.31Å; D127-Y133 WeakPolarHBondContact O-CD2 3.49Å
128E97.3Very high96.9Very high151 Ų15161.4 Ų61.471%0.70634%0.338SS*.THydrogen-bonded Turntrans-64.7-19.5-176.5-59.7-169.4176.300114.3H130 Y133E128-H130 VanDerWaalsContact C-N 3.3Å; E128-Y133 HydrophobicContact CB-CD1 4.32Å; E128-Y133 HydrophobicContact CB-CE1 4.3Å; E128-Y133 HydrophobicContact CG-CD1 4.14Å; E128-Y133 HydrophobicContact CG-CE1 3.63Å; E128-Y133 HydrophobicContact CG-CE2 4.34Å
129S97.9Very high97.1Very high104 Ų10462.5 Ų62.573%0.72734%0.341SS*.THydrogen-bonded Turntrans-79.6-16.2176.479.10000112.5D127D127-S129 PolarHBondContact O-N 2.91Å; D127-S129 WeakPolarHBondContact OD1-CA 3.21Å; D127-S129 VanDerWaalsContact OD1-CB 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.47Å; D127-S129 PolarHBondContact OD1-N 3.2Å; D127-S129 PolarHBondContact OD1-OG 3.2Å
130H98.5Very high97.2Very high26 Ų2670.9 Ų70.912%0.1237%0.373CS..SBendtrans-66.7134.7-177.5-171.7-88.2000111.4I96 I126 D127 E128 Y132 Y133I96-H130 PolarHBondContact O-CE1 2.83Å; I96-H130 VanDerWaalsContact O-CE1 3.29Å; I96-H130 PolarHBondContact O-NE2 2.62Å; I126-H130 HydrophobicContact CD1-CB 3.95Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.46Å; I126-H130 HydrophobicContact CG1-CB 3.44Å; I126-H130 VanDerWaalsContact CG1-CB 3.44Å; D127-H130 VanDerWaalsContact O-CB 3.24Å; D127-H130 WeakPolarHBondContact O-CB 3.45Å; D127-H130 PolarHBondContact O-N 3.04Å; D127-H130 VanDerWaalsContact O-N 3.08Å; D127-H130 PolarHBondContact OD1-N 2.84Å; E128-H130 VanDerWaalsContact C-N 3.3Å; H130-Y132 AromaticContact CE1-CD2 3.72Å; H130-Y132 PolarHBondContact ND1-N 3.19Å; H130-Y132 PolarHBondContact O-N 3.33Å; H130-Y133 WeakPolarHBondContact O-CB 3.26Å; H130-Y133 PolarHBondContact O-N 2.88Å
131P98.2Very high97.3Very high110 Ų11069.3 Ų69.371%0.71436%0.36SS*.THydrogen-bonded Turntrans-54.7-28.3-173-28.334.6000115.3
132Y98.2Very high97.4Very high55 Ų5566.9 Ų66.922%0.21635%0.347CS..THydrogen-bonded Turntrans-1053.5-176.4-58.3-67.7000114.3W16 R21 V26 I96 H130 E135 I136W16-Y132 HydrophobicContact CH2-CD1 4.11Å; W16-Y132 HydrophobicContact CH2-CD2 4.07Å; W16-Y132 AromaticContact CH2-CE1 3.63Å; W16-Y132 HydrophobicContact CH2-CE1 3.63Å; W16-Y132 AromaticContact CH2-CE2 3.59Å; W16-Y132 HydrophobicContact CH2-CE2 3.59Å; W16-Y132 HydrophobicContact CH2-CG 4.3Å; W16-Y132 AromaticContact CH2-CZ 3.34Å; W16-Y132 AromaticContact CZ2-CE1 3.83Å; W16-Y132 HydrophobicContact CZ2-CE1 3.83Å; W16-Y132 HydrophobicContact CZ2-CE2 4.31Å; W16-Y132 AromaticContact CZ2-CZ 3.63Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.37Å; W16-Y132 HydrophobicContact CZ3-CE2 4.43Å; R21-Y132 PolarHBondContact NH2-OH 3.02Å; V26-Y132 HydrophobicContact CG2-CD1 4.45Å; V26-Y132 HydrophobicContact CG2-CG 4.2Å; I96-Y132 HydrophobicContact CG2-CD2 4.07Å; I96-Y132 HydrophobicContact CG2-CG 4.32Å; H130-Y132 AromaticContact CE1-CD2 3.72Å; H130-Y132 PolarHBondContact ND1-N 3.19Å; H130-Y132 PolarHBondContact O-N 3.33Å; Y132-E135 HydrophobicContact CD1-CG 4.33Å; Y132-E135 WeakPolarHBondContact CD1-OE1 3.09Å; Y132-E135 VanDerWaalsContact O-CG 3.23Å; Y132-E135 WeakPolarHBondContact O-CG 3.23Å; Y132-I136 WeakPolarHBondContact O-CD1 3.47Å; Y132-I136 VanDerWaalsContact O-CG1 3.28Å; Y132-I136 WeakPolarHBondContact O-CG1 3.18Å; Y132-I136 PolarHBondContact O-N 3.08Å
133Y98.4Very high97.5Very high29 Ų2968.3 Ų68.311%0.11436%0.362CS..Hα-helixtrans-62.5-52.5-178.6-178.5-88.3000111.5I126 D127 E128 H130 E135 I136 Y137 R154I126-Y133 HydrophobicContact CD1-CD2 4.21Å; I126-Y133 HydrophobicContact CG1-CD2 4.09Å; I126-Y133 HydrophobicContact CG2-CD2 4.05Å; I126-Y133 HydrophobicContact CG2-CE2 4.4Å; D127-Y133 VanDerWaalsContact C-CD2 3.45Å; D127-Y133 VanDerWaalsContact O-CB 3.27Å; D127-Y133 WeakPolarHBondContact O-CB 3.31Å; D127-Y133 WeakPolarHBondContact O-CD2 3.49Å; E128-Y133 HydrophobicContact CB-CD1 4.32Å; E128-Y133 HydrophobicContact CB-CE1 4.3Å; E128-Y133 HydrophobicContact CG-CD1 4.14Å; E128-Y133 HydrophobicContact CG-CE1 3.63Å; E128-Y133 HydrophobicContact CG-CE2 4.34Å; H130-Y133 WeakPolarHBondContact O-CB 3.26Å; H130-Y133 PolarHBondContact O-N 2.88Å; Y133-E135 PolarHBondContact O-N 2.91Å; Y133-I136 PolarHBondContact O-N 3Å; Y133-Y137 HydrophobicContact CD1-CD2 4.02Å; Y133-Y137 AromaticContact CD2-CD2 3.47Å; Y133-Y137 HydrophobicContact CD2-CD2 3.47Å; Y133-Y137 VanDerWaalsContact CD2-CD2 3.47Å; Y133-Y137 AromaticContact CD2-CE2 3.49Å; Y133-Y137 HydrophobicContact CD2-CE2 3.49Å; Y133-Y137 VanDerWaalsContact CD2-CE2 3.49Å; Y133-Y137 AromaticContact CE1-CD2 3.96Å; Y133-Y137 HydrophobicContact CE1-CD2 3.96Å; Y133-Y137 AromaticContact CE2-CD2 3.41Å; Y133-Y137 HydrophobicContact CE2-CD2 3.41Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.41Å; Y133-Y137 AromaticContact CE2-CE2 3.46Å; Y133-Y137 HydrophobicContact CE2-CE2 3.46Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.46Å; Y133-Y137 HydrophobicContact CE2-CG 4.37Å; Y133-Y137 AromaticContact CG-CD2 3.78Å; Y133-Y137 HydrophobicContact CG-CD2 3.78Å; Y133-Y137 HydrophobicContact CG-CE2 4.2Å; Y133-Y137 AromaticContact CZ-CD2 3.68Å; Y133-Y137 VanDerWaalsContact O-CD2 3.27Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.32Å; Y133-Y137 PolarHBondContact O-N 3.44Å; Y133-R154 PolarHBondContact OH-NH2 2.88Å
134T97.8Very high97.3Very high79 Ų7972.8 Ų72.849%0.48539%0.389SS..Hα-helixtrans-60.7-44.5-175.1-580000111.8I136 N138T134-I136 VanDerWaalsContact C-N 3.31Å; T134-I136 PolarHBondContact O-N 3Å; T134-N138 WeakPolarHBondContact CG2-ND2 3.36Å; T134-N138 WeakPolarHBondContact O-CB 3.16Å; T134-N138 PolarHBondContact O-N 2.82Å
135E97.7Very high97.4Very high93 Ų9370.9 Ų70.944%0.43538%0.377SS..Hα-helixtrans-66-32.3179.261.9161.5-154.600113.1V26 Y132 Y133V26-E135 WeakPolarHBondContact CG1-OE1 3.46Å; V26-E135 WeakPolarHBondContact CG2-OE1 3.3Å; Y132-E135 HydrophobicContact CD1-CG 4.33Å; Y132-E135 WeakPolarHBondContact CD1-OE1 3.09Å; Y132-E135 VanDerWaalsContact O-CG 3.23Å; Y132-E135 WeakPolarHBondContact O-CG 3.23Å; Y133-E135 PolarHBondContact O-N 2.91Å
136I98.1Very high97.3Very high4 Ų469.9 Ų69.92%0.02137%0.373CS..Hα-helixtrans-72.4-57.1177.5-68.4168.6000108.6W25 V26 I96 I126 Y132 Y133 T134 Y142W25-I136 HydrophobicContact CB-CD1 4.22Å; W25-I136 HydrophobicContact CB-CG1 4.44Å; W25-I136 HydrophobicContact CB-CG2 4.07Å; W25-I136 HydrophobicContact CE3-CG2 4.2Å; V26-I136 HydrophobicContact CG2-CD1 4.08Å; V26-I136 HydrophobicContact CG2-CG1 4.4Å; I96-I136 HydrophobicContact CD1-CD1 3.89Å; I126-I136 HydrophobicContact CD1-CD1 4.34Å; Y132-I136 WeakPolarHBondContact O-CD1 3.47Å; Y132-I136 VanDerWaalsContact O-CG1 3.28Å; Y132-I136 WeakPolarHBondContact O-CG1 3.18Å; Y132-I136 PolarHBondContact O-N 3.08Å; Y133-I136 PolarHBondContact O-N 3Å; T134-I136 VanDerWaalsContact C-N 3.31Å; T134-I136 PolarHBondContact O-N 3Å; I136-Y142 HydrophobicContact CG2-CE2 4.29Å; I136-Y142 WeakPolarHBondContact O-CD2 3.17Å; I136-Y142 WeakPolarHBondContact O-CE2 3.41Å
137Y97.7Very high97.3Very high1 Ų171.1 Ų71.10%0.00438%0.38CS..Hα-helixtrans-83.8-21.3-166.8-65.9-70000113.7H91 I126 Y133 D139 K149 L152 P153 R154H91-Y137 PolarHBondContact CE1-OH 3.14Å; H91-Y137 AromaticContact NE2-CZ 3.93Å; H91-Y137 PolarHBondContact NE2-OH 3.44Å; I126-Y137 HydrophobicContact CG2-CE2 3.78Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.28Å; Y133-Y137 HydrophobicContact CD1-CD2 4.02Å; Y133-Y137 AromaticContact CD2-CD2 3.47Å; Y133-Y137 HydrophobicContact CD2-CD2 3.47Å; Y133-Y137 VanDerWaalsContact CD2-CD2 3.47Å; Y133-Y137 AromaticContact CD2-CE2 3.49Å; Y133-Y137 HydrophobicContact CD2-CE2 3.49Å; Y133-Y137 VanDerWaalsContact CD2-CE2 3.49Å; Y133-Y137 AromaticContact CE1-CD2 3.96Å; Y133-Y137 HydrophobicContact CE1-CD2 3.96Å; Y133-Y137 AromaticContact CE2-CD2 3.41Å; Y133-Y137 HydrophobicContact CE2-CD2 3.41Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.41Å; Y133-Y137 AromaticContact CE2-CE2 3.46Å; Y133-Y137 HydrophobicContact CE2-CE2 3.46Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.46Å; Y133-Y137 HydrophobicContact CE2-CG 4.37Å; Y133-Y137 AromaticContact CG-CD2 3.78Å; Y133-Y137 HydrophobicContact CG-CD2 3.78Å; Y133-Y137 HydrophobicContact CG-CE2 4.2Å; Y133-Y137 AromaticContact CZ-CD2 3.68Å; Y133-Y137 VanDerWaalsContact O-CD2 3.27Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.32Å; Y133-Y137 PolarHBondContact O-N 3.44Å; Y137-D139 VanDerWaalsContact C-N 3.35Å; Y137-K149 WeakPolarHBondContact O-CD 3.46Å; Y137-K149 WeakPolarHBondContact O-CE 3.49Å; Y137-K149 PolarHBondContact O-NZ 3.33Å; Y137-L152 HydrophobicContact CE1-CB 4.38Å; Y137-P153 PolarHBondContact OH-O 2.84Å; Y137-R154 VanDerWaalsContact CE1-CZ 3.46Å; Y137-R154 WeakPolarHBondContact OH-CD 3.47Å
138N97.3Very high97.2Very high110 Ų11070 Ų7059%0.58838%0.378SS*.THydrogen-bonded Turntrans-85.9-3.6176.6-70.7-5000114.2T134 R140 K149T134-N138 WeakPolarHBondContact CG2-ND2 3.36Å; T134-N138 WeakPolarHBondContact O-CB 3.16Å; T134-N138 PolarHBondContact O-N 2.82Å; N138-R140 PolarHBondContact O-N 3.36Å; N138-K149 PolarHBondContact OD1-NZ 2.88Å
139D98.1Very high97.1Very high53 Ų5366.1 Ų66.128%0.28336%0.358SS..SBendtrans-68130.3173.3-168.3-57.7000111.1Y137 R141 Y142Y137-D139 VanDerWaalsContact C-N 3.35Å; D139-R141 HydrophobicContact CB-CG 4.29Å; D139-R141 PolarHBondContact O-N 2.81Å; D139-R141 VanDerWaalsContact O-N 3.08Å; D139-R141 WeakPolarHBondContact OD1-CB 3.41Å; D139-R141 VanDerWaalsContact OD1-CG 3.22Å; D139-R141 WeakPolarHBondContact OD1-CG 3.48Å; D139-R141 IonicContact OD1-CZ 3.64Å; D139-R141 PolarHBondContact OD1-N 3.35Å; D139-R141 IonicContact OD1-NE 2.87Å; D139-R141 PolarHBondContact OD1-NE 2.94Å; D139-R141 IonicContact OD1-NH2 3.86Å; D139-R141 IonicContact OD2-CZ 3.18Å; D139-R141 VanDerWaalsContact OD2-CZ 3.27Å; D139-R141 IonicContact OD2-NE 2.74Å; D139-R141 PolarHBondContact OD2-NE 3.45Å; D139-R141 IonicContact OD2-NH2 2.75Å; D139-R141 PolarHBondContact OD2-NH2 3.05Å; D139-Y142 HydrophobicContact CB-CD2 4.16Å; D139-Y142 HydrophobicContact CB-CE2 4.45Å; D139-Y142 PolarHBondContact O-N 3.37Å; D139-Y142 VanDerWaalsContact O-N 3.14Å
140R97.7Very high96.9Very high200 Ų20067.8 Ų67.876%0.75536%0.355SS*.G310 helixtrans-54.6-29.6-178.8-171.3-179.773101.4-1.5113N138 Y142 A143N138-R140 PolarHBondContact O-N 3.36Å; R140-Y142 PolarHBondContact O-N 2.71Å; R140-Y142 VanDerWaalsContact O-N 3.08Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 3.21Å
141R97.3Very high96.8Very high58 Ų5872 Ų7222%0.21938%0.378CS..G310 helixtrans-56.8-27.7-17977.1-172.668.5-176.514.7113D27 L59 D139 T144 C145D27-R141 IonicContact OD1-NH1 2.72Å; D27-R141 IonicContact OD2-CZ 3.89Å; D27-R141 IonicContact OD2-NH1 3.19Å; D27-R141 PolarHBondContact OD2-NH1 2.93Å; D27-R141 IonicContact OD2-NH2 3.7Å; D27-R141 PolarHBondContact OD2-NH2 3.02Å; L59-R141 HydrophobicContact CD1-CB 4.3Å; L59-R141 HydrophobicContact CD1-CG 4.33Å; L59-R141 PolarHBondContact O-NH1 2.86Å; D139-R141 HydrophobicContact CB-CG 4.29Å; D139-R141 PolarHBondContact O-N 2.81Å; D139-R141 VanDerWaalsContact O-N 3.08Å; D139-R141 WeakPolarHBondContact OD1-CB 3.41Å; D139-R141 VanDerWaalsContact OD1-CG 3.22Å; D139-R141 WeakPolarHBondContact OD1-CG 3.48Å; D139-R141 IonicContact OD1-CZ 3.64Å; D139-R141 PolarHBondContact OD1-N 3.35Å; D139-R141 IonicContact OD1-NE 2.87Å; D139-R141 PolarHBondContact OD1-NE 2.94Å; D139-R141 IonicContact OD1-NH2 3.86Å; D139-R141 IonicContact OD2-CZ 3.18Å; D139-R141 VanDerWaalsContact OD2-CZ 3.27Å; D139-R141 IonicContact OD2-NE 2.74Å; D139-R141 PolarHBondContact OD2-NE 3.45Å; D139-R141 IonicContact OD2-NH2 2.75Å; D139-R141 PolarHBondContact OD2-NH2 3.05Å; R141-T144 PolarHBondContact O-OG1 3.44Å; R141-C145 PolarHBondContact O-SG 3.36Å; R141-C145 VanDerWaalsContact O-SG 3.36Å
142Y98Very high96.8Very high4 Ų467 Ų672%0.01635%0.345CS..G310 helixtrans-88.9-13.8-179.7-65.9-58.2000113.7W25 L60 N88 I136 D139 R140 T144 L152W25-Y142 AromaticContact CE3-CE1 3.68Å; W25-Y142 HydrophobicContact CE3-CE1 3.68Å; W25-Y142 HydrophobicContact CE3-CE2 4.49Å; W25-Y142 AromaticContact CE3-CZ 3.65Å; W25-Y142 HydrophobicContact CH2-CE1 4.4Å; W25-Y142 HydrophobicContact CZ3-CD1 4.04Å; W25-Y142 AromaticContact CZ3-CE1 3.52Å; W25-Y142 HydrophobicContact CZ3-CE1 3.52Å; L60-Y142 WeakPolarHBondContact CD2-OH 3.49Å; N88-Y142 PolarHBondContact ND2-OH 3.47Å; I136-Y142 HydrophobicContact CG2-CE2 4.29Å; I136-Y142 WeakPolarHBondContact O-CD2 3.17Å; I136-Y142 WeakPolarHBondContact O-CE2 3.41Å; D139-Y142 HydrophobicContact CB-CD2 4.16Å; D139-Y142 HydrophobicContact CB-CE2 4.45Å; D139-Y142 PolarHBondContact O-N 3.37Å; D139-Y142 VanDerWaalsContact O-N 3.14Å; R140-Y142 PolarHBondContact O-N 2.71Å; R140-Y142 VanDerWaalsContact O-N 3.08Å; Y142-T144 VanDerWaalsContact C-N 3.31Å; Y142-L152 HydrophobicContact CD1-CD1 3.75Å; Y142-L152 HydrophobicContact CG-CD1 3.89Å
143A94.9Very high96.8Very high74 Ų7465.6 Ų65.661%0.61234%0.343SS*.THydrogen-bonded Turntrans-79.9-14.9173.100000112.8R140R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 3.21Å
144T92Very high96.8Very high100 Ų10066.7 Ų66.761%0.61335%0.347SS*.THydrogen-bonded Turntrans-112.519-177.763.90000112.6R141 Y142R141-T144 PolarHBondContact O-OG1 3.44Å; Y142-T144 VanDerWaalsContact C-N 3.31Å
145C96.4Very high96.8Very high26 Ų2663.1 Ų63.118%0.17633%0.326CS..SBendtrans-74.8165.2175.4-72.60000110.8W85 R141 V147W85-C145 HydrophobicContact CG-CB 4.44Å; R141-C145 PolarHBondContact O-SG 3.36Å; R141-C145 VanDerWaalsContact O-SG 3.36Å; C145-V147 HydrophobicContact CB-CG2 4.37Å; C145-V147 PolarHBondContact O-N 3.4Å
146D96.9Very high96.8Very high99 Ų9958.9 Ų58.953%0.52931%0.306SS..SBendtrans-75.36.7173.566.6-26.9000113.1W85 R86W85-D146 PolarHBondContact NE1-OD1 2.91Å; R86-D146 IonicContact CZ-OD1 3.81Å; R86-D146 IonicContact CZ-OD2 2.63Å; R86-D146 IonicContact NE-OD1 2.86Å; R86-D146 IonicContact NE-OD2 3.96Å; R86-D146 PolarHBondContact NE-OD2 2.96Å; R86-D146 IonicContact NH2-OD1 3.61Å; R86-D146 IonicContact NH2-OD2 2.76Å; R86-D146 PolarHBondContact NH2-OD2 3.34Å
147V96.8Very high96.8Very high31 Ų3158.9 Ų58.919%0.18831%0.306CS..SBendtrans-132.4148.5170.4-60.60000109W85 C145 N151 L152W85-V147 HydrophobicContact CH2-CG2 4.38Å; W85-V147 HydrophobicContact CZ2-CG1 4.09Å; W85-V147 HydrophobicContact CZ2-CG2 3.58Å; C145-V147 HydrophobicContact CB-CG2 4.37Å; C145-V147 PolarHBondContact O-N 3.4Å; V147-N151 HydrophobicContact CB-CB 4.49Å; V147-L152 HydrophobicContact CG2-CD2 3.61Å; V147-L152 HydrophobicContact CG2-CG 4.18Å
148P96.4Very high96.9Very high63 Ų6358.9 Ų58.941%0.40931%0.306SS..  trans-58.9150.7171.2-22.633.5000112.3E150 N151 L152P148-E150 HydrophobicContact CB-CG 3.97Å; P148-E150 WeakPolarHBondContact CB-OE1 3.4Å; P148-E150 VanDerWaalsContact CB-OE2 3.29Å; P148-E150 WeakPolarHBondContact CB-OE2 3.33Å; P148-E150 PolarHBondContact O-N 2.85Å; P148-N151 WeakPolarHBondContact O-CB 3.35Å; P148-N151 PolarHBondContact O-N 3.2Å; P148-L152 PolarHBondContact O-N 2.95Å
149K94.4Very high96.9Very high70 Ų7057.5 Ų57.530%0.30430%0.295SS..G310 helixtrans-59.3-35.1-176.5170.8179.5161.1169.70112.6Y137 N138 N151 L152 R154Y137-K149 WeakPolarHBondContact O-CD 3.46Å; Y137-K149 WeakPolarHBondContact O-CE 3.49Å; Y137-K149 PolarHBondContact O-NZ 3.33Å; N138-K149 PolarHBondContact OD1-NZ 2.88Å; K149-N151 PolarHBondContact O-N 2.95Å; K149-L152 WeakPolarHBondContact O-CB 3.3Å; K149-L152 PolarHBondContact O-N 3.37Å; K149-R154 PolarHBondContact O-NH1 3.2Å
150E94.1Very high96.9Very high139 Ų13958.9 Ų58.965%0.6530%0.3SS*.G310 helixtrans-63.8-27175.458.9-89.1-15200112.8P148P148-E150 HydrophobicContact CB-CG 3.97Å; P148-E150 WeakPolarHBondContact CB-OE1 3.4Å; P148-E150 VanDerWaalsContact CB-OE2 3.29Å; P148-E150 WeakPolarHBondContact CB-OE2 3.33Å; P148-E150 PolarHBondContact O-N 2.85Å
151N96.4Very high97Very high114 Ų11449.4 Ų49.461%0.6126%0.264SS*.G310 helixtrans-91.8-2.1179.2-67.4-7.9000112.9V147 P148 K149V147-N151 HydrophobicContact CB-CB 4.49Å; P148-N151 WeakPolarHBondContact O-CB 3.35Å; P148-N151 PolarHBondContact O-N 3.2Å; K149-N151 PolarHBondContact O-N 2.95Å
152L97.9Very high97Very high5 Ų547.1 Ų47.13%0.02626%0.256CS..SBendtrans-69.1140.2172-68.2170000110.4W25 W85 Y137 Y142 V147 P148 K149 R154W25-L152 HydrophobicContact CH2-CD2 4.06Å; W25-L152 HydrophobicContact CZ3-CB 4.36Å; W25-L152 HydrophobicContact CZ3-CD1 4.49Å; W25-L152 HydrophobicContact CZ3-CD2 4.24Å; W85-L152 HydrophobicContact CD2-CD2 3.86Å; W85-L152 HydrophobicContact CE3-CD2 3.93Å; W85-L152 HydrophobicContact CG-CD2 4.4Å; W85-L152 HydrophobicContact CH2-CD2 4.29Å; W85-L152 HydrophobicContact CZ2-CD2 4.26Å; W85-L152 HydrophobicContact CZ3-CD2 4.13Å; Y137-L152 HydrophobicContact CE1-CB 4.38Å; Y142-L152 HydrophobicContact CD1-CD1 3.75Å; Y142-L152 HydrophobicContact CG-CD1 3.89Å; V147-L152 HydrophobicContact CG2-CD2 3.61Å; V147-L152 HydrophobicContact CG2-CG 4.18Å; P148-L152 PolarHBondContact O-N 2.95Å; K149-L152 WeakPolarHBondContact O-CB 3.3Å; K149-L152 PolarHBondContact O-N 3.37Å; L152-R154 PolarHBondContact O-NH1 2.99Å
153P98.1Very high97.1Very high25 Ų2550.6 Ų50.616%0.16228%0.275CS..  trans-62.8145.5-173.426.4-35.6000112.2W25 W85 H91 Y137 E156W25-P153 HydrophobicContact CH2-CG 3.74Å; W25-P153 HydrophobicContact CZ2-CG 3.71Å; W85-P153 HydrophobicContact CZ3-CG 4.28Å; H91-P153 HydrophobicContact CB-CG 4.45Å; Y137-P153 PolarHBondContact OH-O 2.84Å; P153-E156 HydrophobicContact CB-CG 3.55Å; P153-E156 HydrophobicContact CG-CG 3.76Å
154R98.4Very high97.2Very high52 Ų5248 Ų4820%0.19625%0.249CC..SBendtrans-97.9-16.7170.4-59.7-47.5-167.7-119.215.1112.8H91 G93 L125 I126 Y133 Y137 K149 L152H91-R154 PolarHBondContact CE1-O 2.89Å; H91-R154 VanDerWaalsContact CE1-O 3.23Å; H91-R154 PolarHBondContact ND1-O 3.11Å; G93-R154 WeakPolarHBondContact CA-O 3.43Å; L125-R154 HydrophobicContact CB-CB 4.21Å; L125-R154 HydrophobicContact CD2-CB 4.09Å; I126-R154 HydrophobicContact CG2-CB 3.99Å; I126-R154 HydrophobicContact CG2-CG 4.5Å; I126-R154 WeakPolarHBondContact CG2-O 3.33Å; I126-R154 PolarHBondContact N-O 3.07Å; I126-R154 VanDerWaalsContact N-O 3.09Å; Y133-R154 PolarHBondContact OH-NH2 2.88Å; Y137-R154 VanDerWaalsContact CE1-CZ 3.46Å; Y137-R154 WeakPolarHBondContact OH-CD 3.47Å; K149-R154 PolarHBondContact O-NH1 3.2Å; L152-R154 PolarHBondContact O-NH1 2.99Å
155A98.2Very high97.5Very high5 Ų543.3 Ų43.34%0.04122%0.22CC..SBendtrans-159.6161.4161.300000107.7H91 P123 L125H91-A155 CarbonylContact O-C 3.58Å; H91-A155 WeakPolarHBondContact O-CA 3.32Å; P123-A155 HydrophobicContact CG-CB 4.03Å; P123-A155 WeakPolarHBondContact O-CB 3.46Å; L125-A155 HydrophobicContact CD2-CB 3.82Å
156E98.5Very high97.6Very high3 Ų343.7 Ų43.71%0.01422%0.221CC..  trans-138.9136.5176.2-63.8174.5119.400109.1R90 H91 P123 P153 E160 V161 R164R90-E156 WeakPolarHBondContact CD-O 3.45Å; R90-E156 HydrophobicContact CG-CB 4.14Å; R90-E156 VanDerWaalsContact CG-O 3.23Å; R90-E156 WeakPolarHBondContact CG-O 3.28Å; R90-E156 PolarHBondContact NE-O 3.25Å; R90-E156 PolarHBondContact NH2-O 2.92Å; H91-E156 HydrophobicContact CB-CB 4.23Å; H91-E156 HydrophobicContact CB-CG 3.8Å; H91-E156 PolarHBondContact N-OE2 3.18Å; H91-E156 PolarHBondContact O-N 2.96Å; P123-E156 VanDerWaalsContact CD-O 3.26Å; P123-E156 WeakPolarHBondContact CD-O 3.34Å; P153-E156 HydrophobicContact CB-CG 3.55Å; P153-E156 HydrophobicContact CG-CG 3.76Å; E156-E160 HydrophobicContact CB-CB 4.1Å; E156-E160 HydrophobicContact CG-CB 4.4Å; E156-V161 HydrophobicContact CB-CG2 3.91Å; E156-R164 WeakPolarHBondContact OE1-CG 3.27Å; E156-R164 IonicContact OE1-CZ 3.89Å; E156-R164 IonicContact OE1-NE 2.96Å; E156-R164 PolarHBondContact OE1-NE 2.96Å; E156-R164 IonicContact OE1-NH2 3.93Å; E156-R164 PolarHBondContact OE1-NH2 3.41Å; E156-R164 IonicContact OE2-CZ 3.27Å; E156-R164 IonicContact OE2-NE 3.04Å; E156-R164 IonicContact OE2-NH2 2.74Å; E156-R164 PolarHBondContact OE2-NH2 3.33Å
157S98.2Very high97.7Very high4 Ų441.9 Ų41.93%0.02821%0.214CC..  trans-72.1170.6153.661.20000110.2S122 K159 E160 V161S122-S157 PolarHBondContact OG-N 3.4Å; S157-K159 PolarHBondContact O-N 2.74Å; S157-E160 WeakPolarHBondContact CB-OE2 3.15Å; S157-E160 PolarHBondContact N-OE2 2.74Å; S157-E160 PolarHBondContact O-N 2.86Å; S157-E160 WeakPolarHBondContact OG-CG 3.19Å; S157-E160 PolarHBondContact OG-N 3.08Å; S157-E160 VanDerWaalsContact OG-N 3.12Å; S157-E160 PolarHBondContact OG-OE2 3.43Å; S157-V161 WeakPolarHBondContact O-CG2 3.29Å; S157-V161 PolarHBondContact O-N 2.73Å; S157-V161 VanDerWaalsContact O-N 3.09Å
158L98.3Very high97.8Very high1 Ų141.3 Ų41.31%0.00521%0.209CC..Hα-helixtrans-68.4-29.1174.5-173.667.1000111.5Y119 V161 L162 N190 A194 I207Y119-L158 HydrophobicContact CD2-CB 4.07Å; Y119-L158 HydrophobicContact CD2-CD2 4.19Å; Y119-L158 HydrophobicContact CD2-CG 4.14Å; Y119-L158 PolarHBondContact O-N 3.04Å; Y119-L158 VanDerWaalsContact O-N 3.14Å; L158-V161 WeakPolarHBondContact O-CB 3.27Å; L158-V161 PolarHBondContact O-N 2.74Å; L158-L162 PolarHBondContact O-N 3.21Å; L158-N190 HydrophobicContact CD1-CB 3.91Å; L158-N190 VanDerWaalsContact CD1-O 3.31Å; L158-N190 WeakPolarHBondContact CD1-O 3.48Å; L158-A194 HydrophobicContact CD1-CB 3.99Å; L158-I207 HydrophobicContact CD2-CG1 3.53Å; L158-I207 HydrophobicContact CD2-CG2 4.19Å
159K98.4Very high97.9Very high82 Ų8238.6 Ų38.636%0.35719%0.191SC..Hα-helixtrans-60-50.9170.2-179.2180177.3-62.80111.3Y119 S157 V161 L162 D163Y119-K159 HydrophobicContact CD1-CB 4.16Å; Y119-K159 HydrophobicContact CD2-CB 4.21Å; Y119-K159 HydrophobicContact CE1-CB 3.77Å; Y119-K159 HydrophobicContact CE1-CD 4.13Å; Y119-K159 HydrophobicContact CE1-CG 3.92Å; Y119-K159 VanDerWaalsContact CE2-CA 3.45Å; Y119-K159 HydrophobicContact CE2-CB 3.8Å; Y119-K159 HydrophobicContact CE2-CG 4.42Å; Y119-K159 HydrophobicContact CG-CB 4.39Å; Y119-K159 PolarHBondContact O-N 2.96Å; S157-K159 PolarHBondContact O-N 2.74Å; K159-V161 VanDerWaalsContact C-N 3.29Å; K159-V161 PolarHBondContact O-N 2.75Å; K159-L162 CarbonylContact O-C 3.59Å; K159-L162 WeakPolarHBondContact O-CA 3.43Å; K159-L162 WeakPolarHBondContact O-CB 3.4Å; K159-L162 PolarHBondContact O-N 3.32Å; K159-D163 IonicContact NZ-OD1 2.79Å; K159-D163 IonicContact NZ-OD2 2.66Å; K159-D163 PolarHBondContact NZ-OD2 2.57Å; K159-D163 VanDerWaalsContact O-CG 3.28Å; K159-D163 PolarHBondContact O-N 3.26Å
160E98.6Very high98Very high82 Ų8239.5 Ų39.538%0.38320%0.198SC..Hα-helixtrans-62.5-37.1179.1-72.4163.3122.800112S122 E156 S157 L162 D163 R164S122-E160 PolarHBondContact OG-OE2 3.34Å; S122-E160 VanDerWaalsContact OG-OE2 3.08Å; E156-E160 HydrophobicContact CB-CB 4.1Å; E156-E160 HydrophobicContact CG-CB 4.4Å; S157-E160 WeakPolarHBondContact CB-OE2 3.15Å; S157-E160 PolarHBondContact N-OE2 2.74Å; S157-E160 PolarHBondContact O-N 2.86Å; S157-E160 WeakPolarHBondContact OG-CG 3.19Å; S157-E160 PolarHBondContact OG-N 3.08Å; S157-E160 VanDerWaalsContact OG-N 3.12Å; S157-E160 PolarHBondContact OG-OE2 3.43Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.22Å; E160-D163 PolarHBondContact O-N 3.09Å; E160-R164 VanDerWaalsContact O-CG 3.31Å; E160-R164 WeakPolarHBondContact O-CG 3.44Å; E160-R164 PolarHBondContact O-N 2.78Å; E160-R164 VanDerWaalsContact O-N 3.12Å
161V98.7Very high98.2Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-56.5-46.8170.3168.40000111R90 E156 S157 L158 K159 L165 A194R90-V161 HydrophobicContact CB-CG2 3.71Å; R90-V161 HydrophobicContact CG-CG2 3.84Å; E156-V161 HydrophobicContact CB-CG2 3.91Å; S157-V161 WeakPolarHBondContact O-CG2 3.29Å; S157-V161 PolarHBondContact O-N 2.73Å; S157-V161 VanDerWaalsContact O-N 3.09Å; L158-V161 WeakPolarHBondContact O-CB 3.27Å; L158-V161 PolarHBondContact O-N 2.74Å; K159-V161 VanDerWaalsContact C-N 3.29Å; K159-V161 PolarHBondContact O-N 2.75Å; V161-L165 WeakPolarHBondContact O-CB 3.42Å; V161-L165 PolarHBondContact O-N 3.31Å; V161-A194 HydrophobicContact CG1-CB 3.83Å
162L98.3Very high98.3Very high11 Ų1133.6 Ų33.66%0.05818%0.18CC..Hα-helixtrans-66.5-42.4179.8-172.961.6000111.4Y119 L158 K159 E160 R164 L165 L166 A194 K197 H198Y119-L162 HydrophobicContact CE2-CD2 4.39Å; L158-L162 PolarHBondContact O-N 3.21Å; K159-L162 CarbonylContact O-C 3.59Å; K159-L162 WeakPolarHBondContact O-CA 3.43Å; K159-L162 WeakPolarHBondContact O-CB 3.4Å; K159-L162 PolarHBondContact O-N 3.32Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.22Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 2.86Å; L162-L165 PolarHBondContact O-N 2.84Å; L162-L165 VanDerWaalsContact O-N 3.11Å; L162-L166 HydrophobicContact CD1-CD1 3.97Å; L162-L166 HydrophobicContact CD1-CD2 3.83Å; L162-L166 HydrophobicContact CD1-CG 3.58Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-L166 HydrophobicContact CG-CD1 3.74Å; L162-L166 HydrophobicContact CG-CG 3.83Å; L162-L166 WeakPolarHBondContact O-CB 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.09Å; L162-A194 HydrophobicContact CB-CB 4.24Å; L162-A194 HydrophobicContact CD1-CB 4.08Å; L162-A194 WeakPolarHBondContact CD1-O 3.4Å; L162-K197 HydrophobicContact CD2-CD 4.44Å; L162-H198 HydrophobicContact CD1-CB 4.07Å
163D98.5Very high98.3Very high77 Ų7733.4 Ų33.441%0.41218%0.179SC..Hα-helixtrans-58.4-40179.7-68.9-20.5000111.6K159 E160 P167K159-D163 IonicContact NZ-OD1 2.79Å; K159-D163 IonicContact NZ-OD2 2.66Å; K159-D163 PolarHBondContact NZ-OD2 2.57Å; K159-D163 VanDerWaalsContact O-CG 3.28Å; K159-D163 PolarHBondContact O-N 3.26Å; E160-D163 PolarHBondContact O-N 3.09Å; D163-P167 WeakPolarHBondContact O-CD 3.17Å; D163-P167 WeakPolarHBondContact O-CG 3.24Å
164R98.4Very high98.3Very high18 Ų1833 Ų337%0.06818%0.176CC..Hα-helixtrans-84.3-20.4175.361.383.3171.3149.8-2.9114.7W85 R86 N88 E89 E156 E160 L162W85-R164 HydrophobicContact CH2-CB 3.94Å; W85-R164 HydrophobicContact CH2-CG 4.18Å; W85-R164 HydrophobicContact CZ3-CB 4.36Å; W85-R164 HydrophobicContact CZ3-CG 4.11Å; R86-R164 VanDerWaalsContact C-NH1 3.34Å; R86-R164 WeakPolarHBondContact CD-O 3.2Å; R86-R164 WeakPolarHBondContact CG-O 3.5Å; R86-R164 PolarHBondContact NH1-O 2.91Å; R86-R164 PolarHBondContact O-NH1 3.34Å; N88-R164 PolarHBondContact O-NH1 3.47Å; N88-R164 VanDerWaalsContact O-NH1 3.16Å; N88-R164 PolarHBondContact O-NH2 3.12Å; E89-R164 PolarHBondContact O-NH2 3.09Å; E156-R164 WeakPolarHBondContact OE1-CG 3.27Å; E156-R164 IonicContact OE1-CZ 3.89Å; E156-R164 IonicContact OE1-NE 2.96Å; E156-R164 PolarHBondContact OE1-NE 2.96Å; E156-R164 IonicContact OE1-NH2 3.93Å; E156-R164 PolarHBondContact OE1-NH2 3.41Å; E156-R164 IonicContact OE2-CZ 3.27Å; E156-R164 IonicContact OE2-NE 3.04Å; E156-R164 IonicContact OE2-NH2 2.74Å; E156-R164 PolarHBondContact OE2-NH2 3.33Å; E160-R164 VanDerWaalsContact O-CG 3.31Å; E160-R164 WeakPolarHBondContact O-CG 3.44Å; E160-R164 PolarHBondContact O-N 2.78Å; E160-R164 VanDerWaalsContact O-N 3.12Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 2.86Å
165L98.7Very high98.3Very high2 Ų232.6 Ų32.61%0.0118%0.18CC..Hα-helixtrans-83.2-41.7179.6-174.1153.5000112.1L87 V161 L162 Y168 W169 I195L87-L165 HydrophobicContact CD2-CD1 4.02Å; L87-L165 HydrophobicContact CD2-CG 4.32Å; V161-L165 WeakPolarHBondContact O-CB 3.42Å; V161-L165 PolarHBondContact O-N 3.31Å; L162-L165 PolarHBondContact O-N 2.84Å; L162-L165 VanDerWaalsContact O-N 3.11Å; L165-Y168 WeakPolarHBondContact O-CB 3.36Å; L165-Y168 PolarHBondContact O-N 2.94Å; L165-Y168 VanDerWaalsContact O-N 3.11Å; L165-W169 HydrophobicContact CD2-CB 4.05Å; L165-W169 PolarHBondContact O-N 2.64Å; L165-I195 HydrophobicContact CD1-CD1 4.1Å; L165-I195 HydrophobicContact CD1-CG1 3.84Å; L165-I195 HydrophobicContact CD2-CD1 4.32Å; L165-I195 HydrophobicContact CD2-CG1 3.61Å; L165-I195 HydrophobicContact CG-CG1 4.39Å
166L98.1Very high98.3Very high35 Ų3533.9 Ų33.918%0.18319%0.185CC..Hα-helixtrans-58.4-40.6-175.1-78179.5000114.6L162 Y168 W169 N170 H198L162-L166 HydrophobicContact CD1-CD1 3.97Å; L162-L166 HydrophobicContact CD1-CD2 3.83Å; L162-L166 HydrophobicContact CD1-CG 3.58Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-L166 HydrophobicContact CG-CD1 3.74Å; L162-L166 HydrophobicContact CG-CG 3.83Å; L162-L166 WeakPolarHBondContact O-CB 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.09Å; L166-Y168 VanDerWaalsContact C-N 3.28Å; L166-Y168 PolarHBondContact O-N 2.76Å; L166-W169 WeakPolarHBondContact O-CB 3.28Å; L166-W169 PolarHBondContact O-N 3.47Å; L166-N170 WeakPolarHBondContact O-CB 3.32Å; L166-N170 PolarHBondContact O-N 3.26Å; L166-N170 PolarHBondContact O-ND2 3.44Å; L166-H198 HydrophobicContact CD2-CB 4.18Å
167P98.3Very high98.3Very high61 Ų6133.8 Ų33.840%0.39618%0.184SC..Hα-helixtrans-55.8-44.5174.6-28.436.5000112.1D163 N170 S171D163-P167 WeakPolarHBondContact O-CD 3.17Å; D163-P167 WeakPolarHBondContact O-CG 3.24Å; P167-N170 PolarHBondContact O-N 2.74Å; P167-S171 VanDerWaalsContact O-CB 3.29Å; P167-S171 WeakPolarHBondContact O-CB 3.42Å; P167-S171 PolarHBondContact O-N 3.13Å; P167-S171 PolarHBondContact O-OG 2.98Å
168Y98.5Very high98.2Very high19 Ų1938.5 Ų38.58%0.07521%0.206CC..Hα-helixtrans-70.6-39.4177.9-177.9-102.4000113.2F56 V82 S84 R86 L87 L165 L166 T172 V173F56-Y168 HydrophobicContact CD1-CE1 4.26Å; F56-Y168 VanDerWaalsContact CD1-OH 3.29Å; F56-Y168 WeakPolarHBondContact CD1-OH 3.46Å; V82-Y168 WeakPolarHBondContact CG1-OH 3.38Å; S84-Y168 VanDerWaalsContact CB-CE2 3.5Å; S84-Y168 VanDerWaalsContact CB-CZ 3.45Å; R86-Y168 HydrophobicContact CB-CG 4.16Å; R86-Y168 VanDerWaalsContact CD-CB 3.47Å; L87-Y168 HydrophobicContact CD1-CE1 3.83Å; L87-Y168 HydrophobicContact CG-CD1 4.23Å; L87-Y168 HydrophobicContact CG-CE1 3.98Å; L165-Y168 WeakPolarHBondContact O-CB 3.36Å; L165-Y168 PolarHBondContact O-N 2.94Å; L165-Y168 VanDerWaalsContact O-N 3.11Å; L166-Y168 VanDerWaalsContact C-N 3.28Å; L166-Y168 PolarHBondContact O-N 2.76Å; Y168-T172 HydrophobicContact CE2-CG2 3.92Å; Y168-T172 WeakPolarHBondContact O-CA 3.29Å; Y168-T172 VanDerWaalsContact O-CB 3.22Å; Y168-T172 WeakPolarHBondContact O-CB 3.31Å; Y168-T172 PolarHBondContact O-N 3.15Å; Y168-T172 PolarHBondContact O-OG1 3.37Å; Y168-V173 HydrophobicContact CD1-CG2 4.23Å; Y168-V173 HydrophobicContact CE1-CG2 4.03Å; Y168-V173 PolarHBondContact O-N 3.34Å
169W98.3Very high98.2Very high6 Ų645.1 Ų45.12%0.02324%0.235CC..Iπ-helixtrans-55.6-53.7172.6174.4-100.3000110.4L6 L165 L166 V173 V174 I177 I185 I195 H198 L199L6-W169 HydrophobicContact CD2-CH2 3.64Å; L6-W169 HydrophobicContact CD2-CZ3 4.2Å; L165-W169 HydrophobicContact CD2-CB 4.05Å; L165-W169 PolarHBondContact O-N 2.64Å; L166-W169 WeakPolarHBondContact O-CB 3.28Å; L166-W169 PolarHBondContact O-N 3.47Å; W169-V173 HydrophobicContact CD2-CB 4.35Å; W169-V173 HydrophobicContact CD2-CG1 4.5Å; W169-V173 HydrophobicContact CE3-CB 3.87Å; W169-V173 HydrophobicContact CE3-CG1 3.74Å; W169-V173 HydrophobicContact CE3-CG2 4.25Å; W169-V173 HydrophobicContact CH2-CG1 4.15Å; W169-V173 HydrophobicContact CZ3-CB 4.23Å; W169-V173 HydrophobicContact CZ3-CG1 3.56Å; W169-V173 WeakPolarHBondContact O-CA 3.41Å; W169-V173 WeakPolarHBondContact O-CB 3.41Å; W169-V173 PolarHBondContact O-N 2.98Å; W169-V174 HydrophobicContact CD2-CG2 4.32Å; W169-V174 HydrophobicContact CG-CG2 4.22Å; W169-V174 HydrophobicContact CZ2-CG2 4.31Å; W169-V174 VanDerWaalsContact NE1-CG2 3.31Å; W169-V174 WeakPolarHBondContact O-CG2 3.09Å; W169-V174 PolarHBondContact O-N 3.44Å; W169-I177 HydrophobicContact CH2-CD1 3.62Å; W169-I177 HydrophobicContact CZ2-CD1 3.9Å; W169-I177 HydrophobicContact CZ3-CD1 4.42Å; W169-I185 HydrophobicContact CE3-CD1 4.33Å; W169-I185 HydrophobicContact CZ3-CD1 3.66Å; W169-I195 HydrophobicContact CE3-CG2 4.5Å; W169-I195 HydrophobicContact CH2-CG2 4.44Å; W169-I195 HydrophobicContact CZ3-CG2 4.12Å; W169-H198 AromaticContact NE1-CD2 3.95Å; W169-H198 AromaticContact NE1-NE2 3.97Å; W169-L199 HydrophobicContact CH2-CD1 3.99Å; W169-L199 HydrophobicContact CH2-CD2 4.35Å; W169-L199 HydrophobicContact CZ2-CD1 4.07Å; W169-L199 HydrophobicContact CZ2-CD2 3.6Å; W169-L199 HydrophobicContact CZ2-CG 4.24Å
170N98.2Very high98.1Very high88 Ų8843.5 Ų43.547%0.47124%0.241SC..Iπ-helixtrans-69.5-40-176.5-69.4-25.4000113.5L166 P167 P175L166-N170 WeakPolarHBondContact O-CB 3.32Å; L166-N170 PolarHBondContact O-N 3.26Å; L166-N170 PolarHBondContact O-ND2 3.44Å; P167-N170 PolarHBondContact O-N 2.74Å; N170-P175 WeakPolarHBondContact O-CD 3.31Å
171S97.9Very high98Very high83 Ų8342.9 Ų42.958%0.5824%0.237SC*.Iπ-helixtrans-82.4-26.7-175.769.60000113.8P167P167-S171 VanDerWaalsContact O-CB 3.29Å; P167-S171 WeakPolarHBondContact O-CB 3.42Å; P167-S171 PolarHBondContact O-N 3.13Å; P167-S171 PolarHBondContact O-OG 2.98Å
172T98.1Very high98Very high47 Ų4744.5 Ų44.529%0.28825%0.247SC..Iπ-helixtrans-124.2-44.1-166.5-48.40000112.7F56 Y168 E176F56-T172 HydrophobicContact CE1-CG2 3.87Å; F56-T172 HydrophobicContact CZ-CG2 4.39Å; Y168-T172 HydrophobicContact CE2-CG2 3.92Å; Y168-T172 WeakPolarHBondContact O-CA 3.29Å; Y168-T172 VanDerWaalsContact O-CB 3.22Å; Y168-T172 WeakPolarHBondContact O-CB 3.31Å; Y168-T172 PolarHBondContact O-N 3.15Å; Y168-T172 PolarHBondContact O-OG1 3.37Å; T172-E176 WeakPolarHBondContact O-CG 3.47Å
173V98.3Very high98Very high1 Ų144 Ų441%0.00625%0.245CC..Iπ-helixtrans-85.1-48.2-175.2-175.20000111.3F56 Y168 W169 E176 I177 I185F56-V173 HydrophobicContact CD1-CG2 4.32Å; F56-V173 HydrophobicContact CD2-CG1 4.27Å; F56-V173 HydrophobicContact CD2-CG2 4.12Å; F56-V173 HydrophobicContact CE1-CG2 4.2Å; F56-V173 HydrophobicContact CE2-CB 4.28Å; F56-V173 HydrophobicContact CE2-CG1 3.97Å; F56-V173 HydrophobicContact CE2-CG2 4Å; F56-V173 HydrophobicContact CG-CG2 4.26Å; F56-V173 HydrophobicContact CZ-CB 4.43Å; F56-V173 HydrophobicContact CZ-CG2 4.02Å; Y168-V173 HydrophobicContact CD1-CG2 4.23Å; Y168-V173 HydrophobicContact CE1-CG2 4.03Å; Y168-V173 PolarHBondContact O-N 3.34Å; W169-V173 HydrophobicContact CD2-CB 4.35Å; W169-V173 HydrophobicContact CD2-CG1 4.5Å; W169-V173 HydrophobicContact CE3-CB 3.87Å; W169-V173 HydrophobicContact CE3-CG1 3.74Å; W169-V173 HydrophobicContact CE3-CG2 4.25Å; W169-V173 HydrophobicContact CH2-CG1 4.15Å; W169-V173 HydrophobicContact CZ3-CB 4.23Å; W169-V173 HydrophobicContact CZ3-CG1 3.56Å; W169-V173 WeakPolarHBondContact O-CA 3.41Å; W169-V173 WeakPolarHBondContact O-CB 3.41Å; W169-V173 PolarHBondContact O-N 2.98Å; V173-E176 PolarHBondContact O-N 3.12Å; V173-E176 VanDerWaalsContact O-N 3.12Å; V173-I177 HydrophobicContact CG1-CD1 3.97Å; V173-I177 HydrophobicContact CG1-CG1 4.33Å; V173-I177 PolarHBondContact O-N 3.16Å; V173-I185 HydrophobicContact CG1-CD1 4.14Å
174V98.1Very high98.1Very high17 Ų1740.3 Ų40.310%0.10323%0.225CC..Hα-helixtrans-55.1-46.9-178.9162.20000113W169 E176 I177 Q178 L226W169-V174 HydrophobicContact CD2-CG2 4.32Å; W169-V174 HydrophobicContact CG-CG2 4.22Å; W169-V174 HydrophobicContact CZ2-CG2 4.31Å; W169-V174 VanDerWaalsContact NE1-CG2 3.31Å; W169-V174 WeakPolarHBondContact O-CG2 3.09Å; W169-V174 PolarHBondContact O-N 3.44Å; V174-E176 PolarHBondContact O-N 3.38Å; V174-I177 PolarHBondContact O-N 3.14Å; V174-Q178 HydrophobicContact CG1-CG 4.34Å; V174-Q178 WeakPolarHBondContact O-CG 3.33Å; V174-Q178 PolarHBondContact O-N 2.85Å; V174-L226 HydrophobicContact CB-CD1 4.04Å; V174-L226 HydrophobicContact CG1-CD1 3.67Å; V174-L226 HydrophobicContact CG2-CD1 3.54Å
175P98.4Very high98.1Very high42 Ų4239.4 Ų39.427%0.27322%0.222SC..Hα-helixtrans-61.4-33.1179.2-25.136.5000112.8N170 K179N170-P175 WeakPolarHBondContact O-CD 3.31Å; P175-K179 VanDerWaalsContact O-CG 3.25Å; P175-K179 WeakPolarHBondContact O-CG 3.39Å; P175-K179 PolarHBondContact O-N 3.11Å; P175-K179 VanDerWaalsContact O-N 3.16Å
176E98.4Very high98.1Very high32 Ų3239.3 Ų39.315%0.1522%0.221CC..Hα-helixtrans-73.8-40.2178.2-59.9-58.8129.200111.3L54 F56 T172 V173 V174 Q178 K179 K181 I183L54-E176 HydrophobicContact CD2-CB 4.02Å; L54-E176 HydrophobicContact CD2-CG 3.71Å; F56-E176 HydrophobicContact CZ-CG 4.45Å; T172-E176 WeakPolarHBondContact O-CG 3.47Å; V173-E176 PolarHBondContact O-N 3.12Å; V173-E176 VanDerWaalsContact O-N 3.12Å; V174-E176 PolarHBondContact O-N 3.38Å; E176-Q178 VanDerWaalsContact C-N 3.33Å; E176-Q178 PolarHBondContact O-N 3.13Å; E176-K179 PolarHBondContact O-N 3.41Å; E176-K179 IonicContact OE1-NZ 2.72Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 IonicContact OE2-NZ 3.95Å; E176-K181 HydrophobicContact CB-CD 4.3Å; E176-K181 VanDerWaalsContact O-CB 3.31Å; E176-K181 WeakPolarHBondContact O-CB 3.27Å; E176-K181 PolarHBondContact O-N 3.32Å; E176-K181 VanDerWaalsContact OE2-CD 3.24Å; E176-K181 WeakPolarHBondContact OE2-CD 3.48Å; E176-K181 WeakPolarHBondContact OE2-CE 3.46Å; E176-K181 IonicContact OE2-NZ 2.68Å; E176-K181 PolarHBondContact OE2-NZ 3.41Å; E176-I183 HydrophobicContact CB-CD1 3.8Å
177I97.6Very high98.1Very high1 Ų137.7 Ų37.71%0.00521%0.213CC..Hα-helixtrans-58.9-47.3171.3-62.2170.9000110Y4 W169 V173 V174 K179 G180 I183 L226Y4-I177 HydrophobicContact CD1-CG2 4.02Å; Y4-I177 WeakPolarHBondContact CD1-O 3.24Å; Y4-I177 HydrophobicContact CD2-CG2 3.89Å; Y4-I177 WeakPolarHBondContact CE1-O 3.47Å; Y4-I177 HydrophobicContact CG-CG2 3.56Å; W169-I177 HydrophobicContact CH2-CD1 3.62Å; W169-I177 HydrophobicContact CZ2-CD1 3.9Å; W169-I177 HydrophobicContact CZ3-CD1 4.42Å; V173-I177 HydrophobicContact CG1-CD1 3.97Å; V173-I177 HydrophobicContact CG1-CG1 4.33Å; V173-I177 PolarHBondContact O-N 3.16Å; V174-I177 PolarHBondContact O-N 3.14Å; I177-K179 PolarHBondContact O-N 3.45Å; I177-G180 WeakPolarHBondContact O-CA 3.45Å; I177-G180 PolarHBondContact O-N 3.49Å; I177-I183 HydrophobicContact CB-CD1 4.27Å; I177-I183 HydrophobicContact CG1-CD1 3.39Å; I177-L226 HydrophobicContact CB-CD2 4.32Å; I177-L226 HydrophobicContact CG2-CD2 3.55Å
178Q96.6Very high98.1Very high103 Ų10334.8 Ų34.848%0.48119%0.194SC..Hα-helixtrans-65.4-26-177-73.9178.1-29.300113.4V174 E176 G180V174-Q178 HydrophobicContact CG1-CG 4.34Å; V174-Q178 WeakPolarHBondContact O-CG 3.33Å; V174-Q178 PolarHBondContact O-N 2.85Å; E176-Q178 VanDerWaalsContact C-N 3.33Å; E176-Q178 PolarHBondContact O-N 3.13Å; Q178-G180 PolarHBondContact O-N 3.16Å
179K97Very high98Very high140 Ų14034.2 Ų34.261%0.60919%0.194SC*.THydrogen-bonded Turntrans-70.2-1.7168.9-71167.2-169172.40113.5P175 E176 I177P175-K179 VanDerWaalsContact O-CG 3.25Å; P175-K179 WeakPolarHBondContact O-CG 3.39Å; P175-K179 PolarHBondContact O-N 3.11Å; P175-K179 VanDerWaalsContact O-N 3.16Å; E176-K179 PolarHBondContact O-N 3.41Å; E176-K179 IonicContact OE1-NZ 2.72Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 IonicContact OE2-NZ 3.95Å; I177-K179 PolarHBondContact O-N 3.45Å
180G96.4Very high98Very high48 Ų4834.5 Ų34.550%0.49520%0.196SC..THydrogen-bonded Turntrans8411.7-179.300000114.2I177 Q178I177-G180 WeakPolarHBondContact O-CA 3.45Å; I177-G180 PolarHBondContact O-N 3.49Å; Q178-G180 PolarHBondContact O-N 3.16Å
181K97.9Very high98Very high69 Ų6930.4 Ų30.430%0.317%0.174SC..  trans-71140.5179.1-68.6-171.2178.5179.70111.6D53 E176 I183D53-K181 HydrophobicContact CB-CB 3.85Å; D53-K181 HydrophobicContact CB-CD 4.04Å; D53-K181 HydrophobicContact CB-CG 3.91Å; D53-K181 WeakPolarHBondContact OD2-CA 3.35Å; E176-K181 HydrophobicContact CB-CD 4.3Å; E176-K181 VanDerWaalsContact O-CB 3.31Å; E176-K181 WeakPolarHBondContact O-CB 3.27Å; E176-K181 PolarHBondContact O-N 3.32Å; E176-K181 VanDerWaalsContact OE2-CD 3.24Å; E176-K181 WeakPolarHBondContact OE2-CD 3.48Å; E176-K181 WeakPolarHBondContact OE2-CE 3.46Å; E176-K181 IonicContact OE2-NZ 2.68Å; E176-K181 PolarHBondContact OE2-NZ 3.41Å; K181-I183 HydrophobicContact CB-CD1 4.48Å; K181-I183 HydrophobicContact CB-CG1 4.36Å
182T98.1Very high98Very high34 Ų3426.4 Ų26.421%0.20915%0.146CC..  trans-84.5117.5170.1-55.50000109.1K51 F52 D53K51-T182 WeakPolarHBondContact O-CB 3.28Å; K51-T182 WeakPolarHBondContact O-CG2 3.44Å; F52-T182 HydrophobicContact CD1-CG2 3.89Å; F52-T182 HydrophobicContact CE1-CG2 4.15Å; D53-T182 PolarHBondContact N-O 3.29Å; D53-T182 PolarHBondContact OD2-N 3.06Å
183I98.6Very high98Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-112.7137.3-170.5-72.5159.9000111.6L6 V7 L54 F56 E176 I177 K181 I185L6-I183 HydrophobicContact CD1-CB 3.95Å; L6-I183 HydrophobicContact CD1-CG2 3.71Å; V7-I183 PolarHBondContact N-O 3.14Å; L54-I183 HydrophobicContact CB-CG1 4.32Å; L54-I183 WeakPolarHBondContact O-CA 3.43Å; F56-I183 HydrophobicContact CD2-CG2 3.65Å; F56-I183 HydrophobicContact CE2-CD1 4.2Å; F56-I183 HydrophobicContact CE2-CG1 4.35Å; F56-I183 HydrophobicContact CE2-CG2 3.89Å; E176-I183 HydrophobicContact CB-CD1 3.8Å; I177-I183 HydrophobicContact CB-CD1 4.27Å; I177-I183 HydrophobicContact CG1-CD1 3.39Å; K181-I183 HydrophobicContact CB-CD1 4.48Å; K181-I183 HydrophobicContact CB-CG1 4.36Å; I183-I185 HydrophobicContact CG2-CG1 3.9Å
184L98.9Very high98Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-105132.6163.5175.762.9000109.7V7 L9 F52 L54 V55 F56 V70V7-L184 HydrophobicContact CB-CD1 4.02Å; V7-L184 HydrophobicContact CG1-CD1 3.77Å; V7-L184 CarbonylContact O-C 3.52Å; V7-L184 WeakPolarHBondContact O-CA 3.08Å; L9-L184 HydrophobicContact CB-CD1 4.2Å; F52-L184 HydrophobicContact CD1-CB 3.7Å; F52-L184 HydrophobicContact CD2-CB 4.3Å; F52-L184 HydrophobicContact CD2-CD2 4.47Å; F52-L184 HydrophobicContact CE1-CB 3.65Å; F52-L184 HydrophobicContact CE2-CB 4.22Å; F52-L184 HydrophobicContact CE2-CD2 4.21Å; F52-L184 HydrophobicContact CG-CB 4.05Å; F52-L184 HydrophobicContact CZ-CB 3.92Å; F52-L184 HydrophobicContact CZ-CD1 4.24Å; F52-L184 HydrophobicContact CZ-CD2 4.49Å; F52-L184 HydrophobicContact CZ-CG 4.45Å; L54-L184 PolarHBondContact O-N 2.88Å; L54-L184 VanDerWaalsContact O-N 3.16Å; V55-L184 CarbonylContact C-O 3.59Å; V55-L184 VanDerWaalsContact CA-O 3.31Å; V55-L184 WeakPolarHBondContact CA-O 3.48Å; V55-L184 HydrophobicContact CG1-CB 4.19Å; V55-L184 HydrophobicContact CG1-CD2 4.05Å; V55-L184 HydrophobicContact CG1-CG 4.1Å; V55-L184 HydrophobicContact CG2-CB 4.07Å; V55-L184 HydrophobicContact CG2-CD2 4.2Å; F56-L184 PolarHBondContact N-O 3.42Å; V70-L184 HydrophobicContact CG1-CD2 3.94Å
185I98.9Very high98Very high0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-115.1107.7168-55.3-174.7000108.5L6 V7 L8 L9 F56 L87 W169 V173 I183 G187 I195L6-I185 HydrophobicContact CD1-CD1 3.99Å; L6-I185 HydrophobicContact CD1-CG1 4.03Å; V7-I185 PolarHBondContact O-N 3.4Å; L8-I185 HydrophobicContact CD2-CB 3.74Å; L8-I185 HydrophobicContact CD2-CD1 3.81Å; L8-I185 HydrophobicContact CD2-CG1 4.04Å; L8-I185 HydrophobicContact CD2-CG2 4.4Å; L9-I185 PolarHBondContact N-O 3.42Å; F56-I185 HydrophobicContact CB-CG1 4.28Å; F56-I185 HydrophobicContact CD2-CG1 4.4Å; F56-I185 CarbonylContact O-C 3.57Å; F56-I185 WeakPolarHBondContact O-CA 2.94Å; L87-I185 HydrophobicContact CD1-CG2 4.22Å; L87-I185 HydrophobicContact CD2-CG2 4.3Å; W169-I185 HydrophobicContact CE3-CD1 4.33Å; W169-I185 HydrophobicContact CZ3-CD1 3.66Å; V173-I185 HydrophobicContact CG1-CD1 4.14Å; I183-I185 HydrophobicContact CG2-CG1 3.9Å; I185-G187 PolarHBondContact O-N 2.86Å; I185-I195 HydrophobicContact CD1-CD1 4.36Å; I185-I195 HydrophobicContact CG2-CD1 4.39Å
186S98.8Very high98Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-88100.6169-164.60000109.2L9 F56 T57 S63L9-S186 CarbonylContact O-C 3.59Å; L9-S186 WeakPolarHBondContact O-CA 3.5Å; F56-S186 PolarHBondContact O-N 2.68Å; T57-S186 WeakPolarHBondContact CA-O 3.49Å; S63-S186 WeakPolarHBondContact CB-O 3.39Å; S63-S186 PolarHBondContact O-OG 2.86Å; S63-S186 VanDerWaalsContact O-OG 3.05Å
187G98.2Very high97.9Very high1 Ų121.1 Ų21.11%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-120.6-150.5-176.200000112.6L9 H11 I185L9-G187 PolarHBondContact O-N 3.1Å; H11-G187 PolarHBondContact CD2-O 3.03Å; H11-G187 PolarHBondContact N-O 3.23Å; H11-G187 VanDerWaalsContact N-O 3.14Å; I185-G187 PolarHBondContact O-N 2.86Å
188H98.5Very high97.9Very high0 Ų025 Ų250%013%0.131CC..  trans-128.4177.9-177.5-54.7-90.9000111.2H11 S58 L87 E89 N190 S191 C192H11-H188 AromaticContact CD2-CE1 3.65Å; H11-H188 AromaticContact CD2-CG 3.84Å; H11-H188 AromaticContact CD2-ND1 3Å; H11-H188 PolarHBondContact CD2-ND1 3.03Å; H11-H188 AromaticContact NE2-CE1 3.91Å; H11-H188 AromaticContact NE2-ND1 3.08Å; H11-H188 PolarHBondContact NE2-ND1 3.34Å; S58-H188 VanDerWaalsContact CB-NE2 3.33Å; S58-H188 WeakPolarHBondContact CB-NE2 3.21Å; S58-H188 PolarHBondContact OG-NE2 2.79Å; L87-H188 PolarHBondContact O-CD2 3.14Å; E89-H188 HydrophobicContact CB-CB 3.65Å; E89-H188 VanDerWaalsContact CD-CB 3.4Å; E89-H188 HydrophobicContact CG-CB 4Å; E89-H188 PolarHBondContact N-CD2 3.34Å; E89-H188 VanDerWaalsContact OE2-CB 3.3Å; E89-H188 WeakPolarHBondContact OE2-CB 3.31Å; H188-N190 PolarHBondContact O-N 3.2Å; H188-S191 PolarHBondContact N-OG 3.16Å; H188-S191 VanDerWaalsContact N-OG 3.09Å; H188-C192 WeakPolarHBondContact O-CB 3.39Å; H188-C192 PolarHBondContact O-N 2.95Å; H188-C192 PolarHBondContact O-SG 3.37Å
189G96.6Very high97.9Very high7 Ų720.7 Ų20.77%0.07211%0.111CC..Hα-helixtrans-57.1-53.3-176.400000111.9E89 R193E89-G189 PolarHBondContact OE2-N 3.49Å; G189-R193 WeakPolarHBondContact O-CB 3.37Å; G189-R193 WeakPolarHBondContact O-CD 3.45Å; G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.47Å; G189-R193 VanDerWaalsContact O-N 3.11Å
190N97.9Very high97.9Very high12 Ų1216.6 Ų16.66%0.0649%0.094CC..Hα-helixtrans-86-30.5-173.9-52.4-66.5000113.3E89 R90 L158 H188 R193 A194E89-N190 WeakPolarHBondContact OE1-CA 3.32Å; E89-N190 WeakPolarHBondContact OE1-CB 3.38Å; E89-N190 PolarHBondContact OE1-N 2.87Å; E89-N190 PolarHBondContact OE1-ND2 2.78Å; R90-N190 HydrophobicContact CB-CB 3.74Å; L158-N190 HydrophobicContact CD1-CB 3.91Å; L158-N190 VanDerWaalsContact CD1-O 3.31Å; L158-N190 WeakPolarHBondContact CD1-O 3.48Å; H188-N190 PolarHBondContact O-N 3.2Å; N190-R193 PolarHBondContact O-N 3.25Å; N190-R193 PolarHBondContact OD1-NH1 3.4Å; N190-A194 WeakPolarHBondContact O-CB 3.21Å; N190-A194 PolarHBondContact O-N 3.41Å
191S98.1Very high97.9Very high1 Ų117.4 Ų17.41%0.00710%0.102CC..Hα-helixtrans-66.3-40.3172.954.40000111.9L87 N88 H188 A194 I195L87-S191 WeakPolarHBondContact O-CB 3.44Å; L87-S191 PolarHBondContact O-OG 2.87Å; L87-S191 VanDerWaalsContact O-OG 3.07Å; N88-S191 WeakPolarHBondContact O-CB 3.45Å; H188-S191 PolarHBondContact N-OG 3.16Å; H188-S191 VanDerWaalsContact N-OG 3.09Å; S191-A194 PolarHBondContact O-N 2.77Å; S191-I195 WeakPolarHBondContact O-CG1 3.42Å; S191-I195 PolarHBondContact O-N 2.96Å; S191-I195 VanDerWaalsContact O-N 3.12Å
192C98.3Very high97.8Very high0 Ų015.2 Ų15.20%09%0.094CC..Hα-helixtrans-67.8-37.8172.3-66.40000112.1H188 A194 I195 L196 L212H188-C192 WeakPolarHBondContact O-CB 3.39Å; H188-C192 PolarHBondContact O-N 2.95Å; H188-C192 PolarHBondContact O-SG 3.37Å; C192-A194 VanDerWaalsContact C-N 3.33Å; C192-A194 PolarHBondContact O-N 2.99Å; C192-I195 PolarHBondContact O-N 3.35Å; C192-L196 WeakPolarHBondContact O-CG 3.26Å; C192-L196 PolarHBondContact O-N 3.47Å; C192-L212 HydrophobicContact CB-CD1 3.37Å
193R97.8Very high97.8Very high4 Ų415.3 Ų15.32%0.01510%0.097CC..Hα-helixtrans-60.5-41.1172.4-76.6169.968.5-131.8-5112.2R116 R117 G189 N190 L196 K197 I207 V210 L212R116-R193 PolarHBondContact O-NH1 3.44Å; R117-R193 PolarHBondContact O-NH2 2.93Å; G189-R193 WeakPolarHBondContact O-CB 3.37Å; G189-R193 WeakPolarHBondContact O-CD 3.45Å; G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.47Å; G189-R193 VanDerWaalsContact O-N 3.11Å; N190-R193 PolarHBondContact O-N 3.25Å; N190-R193 PolarHBondContact OD1-NH1 3.4Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-K197 WeakPolarHBondContact O-CB 3.48Å; R193-K197 PolarHBondContact O-N 3.13Å; R193-I207 HydrophobicContact CB-CD1 4.47Å; R193-I207 PolarHBondContact NH2-O 3.14Å; R193-V210 VanDerWaalsContact CD-O 3.28Å; R193-V210 WeakPolarHBondContact CD-O 3.49Å; R193-V210 HydrophobicContact CG-CG1 4.22Å; R193-V210 PolarHBondContact NE-O 3.04Å; R193-L212 HydrophobicContact CG-CD1 4.23Å; R193-L212 HydrophobicContact CG-CG 4.38Å
194A98.3Very high97.7Very high0 Ų018.1 Ų18.10%011%0.112CC..Hα-helixtrans-62.2-44.8177.100000111.4L158 V161 L162 N190 S191 C192 L196 K197 H198L158-A194 HydrophobicContact CD1-CB 3.99Å; V161-A194 HydrophobicContact CG1-CB 3.83Å; L162-A194 HydrophobicContact CB-CB 4.24Å; L162-A194 HydrophobicContact CD1-CB 4.08Å; L162-A194 WeakPolarHBondContact CD1-O 3.4Å; N190-A194 WeakPolarHBondContact O-CB 3.21Å; N190-A194 PolarHBondContact O-N 3.41Å; S191-A194 PolarHBondContact O-N 2.77Å; C192-A194 VanDerWaalsContact C-N 3.33Å; C192-A194 PolarHBondContact O-N 2.99Å; A194-L196 PolarHBondContact O-N 2.99Å; A194-K197 WeakPolarHBondContact O-CB 3.32Å; A194-K197 PolarHBondContact O-N 3.38Å; A194-H198 PolarHBondContact O-N 3.19Å; A194-H198 VanDerWaalsContact O-N 3.12Å
195I98.2Very high97.4Very high3 Ų325 Ų252%0.01514%0.144CC..Hα-helixtrans-58.9-48.2173.9-66.6166.4000110.8L8 L87 L165 W169 I185 S191 C192 K197 H198 L199L8-I195 HydrophobicContact CD1-CB 4.29Å; L8-I195 HydrophobicContact CD1-CG2 3.82Å; L8-I195 HydrophobicContact CD2-CD1 4.44Å; L8-I195 HydrophobicContact CD2-CG2 4.23Å; L87-I195 HydrophobicContact CD2-CD1 4.22Å; L165-I195 HydrophobicContact CD1-CD1 4.1Å; L165-I195 HydrophobicContact CD1-CG1 3.84Å; L165-I195 HydrophobicContact CD2-CD1 4.32Å; L165-I195 HydrophobicContact CD2-CG1 3.61Å; L165-I195 HydrophobicContact CG-CG1 4.39Å; W169-I195 HydrophobicContact CE3-CG2 4.5Å; W169-I195 HydrophobicContact CH2-CG2 4.44Å; W169-I195 HydrophobicContact CZ3-CG2 4.12Å; I185-I195 HydrophobicContact CD1-CD1 4.36Å; I185-I195 HydrophobicContact CG2-CD1 4.39Å; S191-I195 WeakPolarHBondContact O-CG1 3.42Å; S191-I195 PolarHBondContact O-N 2.96Å; S191-I195 VanDerWaalsContact O-N 3.12Å; C192-I195 PolarHBondContact O-N 3.35Å; I195-K197 VanDerWaalsContact C-N 3.34Å; I195-K197 PolarHBondContact O-N 2.89Å; I195-H198 PolarHBondContact O-N 3.45Å; I195-L199 HydrophobicContact CG2-CD1 3.67Å; I195-L199 HydrophobicContact CG2-CG 4.26Å; I195-L199 WeakPolarHBondContact O-CG 3.38Å; I195-L199 PolarHBondContact O-N 2.97Å
196L97.9Very high97.2Very high0 Ų029.8 Ų29.80%017%0.169CC..Hα-helixtrans-61-41.9178-70.9175.4000112L8 C192 R193 A194 H198 L199 E200 V210 L212 L220L8-L196 HydrophobicContact CD1-CD2 3.79Å; L8-L196 HydrophobicContact CD1-CG 3.94Å; C192-L196 WeakPolarHBondContact O-CG 3.26Å; C192-L196 PolarHBondContact O-N 3.47Å; R193-L196 PolarHBondContact O-N 3.43Å; A194-L196 PolarHBondContact O-N 2.99Å; L196-H198 VanDerWaalsContact C-N 3.27Å; L196-H198 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 3.3Å; L196-E200 VanDerWaalsContact O-CB 3.29Å; L196-E200 WeakPolarHBondContact O-CB 3.2Å; L196-E200 PolarHBondContact O-N 3.36Å; L196-V210 HydrophobicContact CD1-CG1 4.27Å; L196-L212 HydrophobicContact CD1-CD1 3.93Å; L196-L212 HydrophobicContact CD1-CD2 3.81Å; L196-L212 HydrophobicContact CD1-CG 4.27Å; L196-L220 HydrophobicContact CD2-CD1 3.86Å; L196-L220 HydrophobicContact CD2-CD2 4.15Å; L196-L220 HydrophobicContact CD2-CG 4.4Å
197K97.8Very high97.1Very high21 Ų2129.8 Ų29.89%0.09117%0.169CC..Hα-helixtrans-54.3-47.9176-167-165.8-171.4-59.10111.1Y119 L162 R193 A194 I195 G201 V202 D204 I207Y119-K197 HydrophobicContact CD2-CD 3.72Å; Y119-K197 VanDerWaalsContact CD2-CE 3.46Å; Y119-K197 HydrophobicContact CE2-CD 3.45Å; Y119-K197 VanDerWaalsContact CE2-CD 3.45Å; L162-K197 HydrophobicContact CD2-CD 4.44Å; R193-K197 WeakPolarHBondContact O-CB 3.48Å; R193-K197 PolarHBondContact O-N 3.13Å; A194-K197 WeakPolarHBondContact O-CB 3.32Å; A194-K197 PolarHBondContact O-N 3.38Å; I195-K197 VanDerWaalsContact C-N 3.34Å; I195-K197 PolarHBondContact O-N 2.89Å; K197-G201 WeakPolarHBondContact O-CA 3.44Å; K197-G201 PolarHBondContact O-N 2.97Å; K197-G201 VanDerWaalsContact O-N 3.1Å; K197-V202 HydrophobicContact CG-CB 4.17Å; K197-V202 VanDerWaalsContact CG-O 3.27Å; K197-V202 WeakPolarHBondContact CG-O 3.41Å; K197-V202 PolarHBondContact NZ-O 3.29Å; K197-V202 PolarHBondContact O-N 3.27Å; K197-V202 VanDerWaalsContact O-N 3.09Å; K197-D204 WeakPolarHBondContact CE-OD1 3.38Å; K197-D204 IonicContact NZ-OD1 2.62Å; K197-D204 PolarHBondContact NZ-OD1 3.1Å; K197-I207 HydrophobicContact CB-CD1 3.65Å; K197-I207 HydrophobicContact CB-CG1 4.05Å; K197-I207 HydrophobicContact CD-CB 4.36Å; K197-I207 HydrophobicContact CD-CG1 4.13Å; K197-I207 HydrophobicContact CG-CB 4.27Å; K197-I207 HydrophobicContact CG-CD1 4Å; K197-I207 HydrophobicContact CG-CG1 4Å
198H97.6Very high96.7Very high81 Ų8131.1 Ų31.138%0.37518%0.181SC..Hα-helixtrans-66.6-49.7-179.1176.165.1000112.3L162 L166 W169 A194 I195 L196L162-H198 HydrophobicContact CD1-CB 4.07Å; L166-H198 HydrophobicContact CD2-CB 4.18Å; W169-H198 AromaticContact NE1-CD2 3.95Å; W169-H198 AromaticContact NE1-NE2 3.97Å; A194-H198 PolarHBondContact O-N 3.19Å; A194-H198 VanDerWaalsContact O-N 3.12Å; I195-H198 PolarHBondContact O-N 3.45Å; L196-H198 VanDerWaalsContact C-N 3.27Å; L196-H198 PolarHBondContact O-N 3.41Å
199L97Very high96.4Very high14 Ų1435.2 Ų35.27%0.07321%0.209CC..Hα-helixtrans-69.2-44.2-175.3-69.1176000112.4L6 W169 I195 L196 G201 L220 P228L6-L199 HydrophobicContact CD2-CD1 4.01Å; W169-L199 HydrophobicContact CH2-CD1 3.99Å; W169-L199 HydrophobicContact CH2-CD2 4.35Å; W169-L199 HydrophobicContact CZ2-CD1 4.07Å; W169-L199 HydrophobicContact CZ2-CD2 3.6Å; W169-L199 HydrophobicContact CZ2-CG 4.24Å; I195-L199 HydrophobicContact CG2-CD1 3.67Å; I195-L199 HydrophobicContact CG2-CG 4.26Å; I195-L199 WeakPolarHBondContact O-CG 3.38Å; I195-L199 PolarHBondContact O-N 2.97Å; L196-L199 PolarHBondContact O-N 3.3Å; L199-G201 VanDerWaalsContact C-N 3.33Å; L199-L220 HydrophobicContact CD1-CD1 3.85Å; L199-P228 HydrophobicContact CB-CG 4.29Å; L199-P228 WeakPolarHBondContact O-CD 3.07Å; L199-P228 WeakPolarHBondContact O-CG 3.47Å
200E96.4Very high96.2Very high54 Ų5435.2 Ų35.225%0.25221%0.208SC..Hα-helixtrans-86.5-4.4-176.6-62177.5172.500113.1L196 V202 P228 R232L196-E200 VanDerWaalsContact O-CB 3.29Å; L196-E200 WeakPolarHBondContact O-CB 3.2Å; L196-E200 PolarHBondContact O-N 3.36Å; E200-V202 VanDerWaalsContact C-N 3.28Å; E200-V202 HydrophobicContact CB-CG2 3.84Å; E200-V202 PolarHBondContact O-N 3.22Å; E200-P228 HydrophobicContact CG-CG 3.97Å; E200-R232 WeakPolarHBondContact OE1-CB 3.09Å; E200-R232 VanDerWaalsContact OE1-CD 3.25Å; E200-R232 WeakPolarHBondContact OE1-CD 3.26Å; E200-R232 WeakPolarHBondContact OE1-CG 3.23Å; E200-R232 IonicContact OE1-CZ 3.52Å; E200-R232 IonicContact OE1-NE 3.92Å; E200-R232 IonicContact OE1-NH1 3.37Å; E200-R232 PolarHBondContact OE1-NH1 2.94Å; E200-R232 IonicContact OE2-CZ 3.95Å; E200-R232 IonicContact OE2-NH1 3.07Å; E200-R232 PolarHBondContact OE2-NH1 2.92Å
201G95.8Very high95.9Very high64 Ų6435.2 Ų35.266%0.6621%0.208SC*.THydrogen-bonded Turntrans63.732.2-177.300000113.4K197 L199 S203K197-G201 WeakPolarHBondContact O-CA 3.44Å; K197-G201 PolarHBondContact O-N 2.97Å; K197-G201 VanDerWaalsContact O-N 3.1Å; L199-G201 VanDerWaalsContact C-N 3.33Å; G201-S203 PolarHBondContact O-N 2.93Å
202V96.3Very high95.6Very high23 Ų2335.5 Ų35.514%0.13921%0.21CC..  trans-66.3133.3-179.6-1780000109.1K197 E200 D206 I207 V210K197-V202 HydrophobicContact CG-CB 4.17Å; K197-V202 VanDerWaalsContact CG-O 3.27Å; K197-V202 WeakPolarHBondContact CG-O 3.41Å; K197-V202 PolarHBondContact NZ-O 3.29Å; K197-V202 PolarHBondContact O-N 3.27Å; K197-V202 VanDerWaalsContact O-N 3.09Å; E200-V202 VanDerWaalsContact C-N 3.28Å; E200-V202 HydrophobicContact CB-CG2 3.84Å; E200-V202 PolarHBondContact O-N 3.22Å; V202-D206 HydrophobicContact CG1-CB 3.75Å; V202-I207 HydrophobicContact CB-CD1 4.44Å; V202-I207 HydrophobicContact CG1-CB 3.98Å; V202-I207 HydrophobicContact CG1-CD1 4.19Å; V202-V210 HydrophobicContact CG1-CG2 4.31Å
203S97.4Very high95.5Very high37 Ų3735.6 Ų35.626%0.25921%0.21SC..  trans-62164.7178.370.40000112.2G201 E205 D206 I207G201-S203 PolarHBondContact O-N 2.93Å; S203-E205 WeakPolarHBondContact CB-OE2 3.34Å; S203-E205 PolarHBondContact O-N 3.36Å; S203-D206 WeakPolarHBondContact OG-CB 3.39Å; S203-D206 PolarHBondContact OG-N 2.87Å; S203-D206 PolarHBondContact OG-OD2 3.48Å; S203-I207 WeakPolarHBondContact O-CB 3.44Å; S203-I207 PolarHBondContact O-N 3.34Å
204D96.4Very high95.4Very high59 Ų5936.2 Ų36.232%0.31621%0.214SC..THydrogen-bonded Turntrans-67.6-26177.6-71.24.8000111.5Y119 K197 I207Y119-D204 HydrophobicContact CD1-CB 3.82Å; Y119-D204 VanDerWaalsContact CD1-OD1 3.31Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.29Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.28Å; Y119-D204 VanDerWaalsContact CE1-CG 3.47Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.29Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.45Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y119-D204 HydrophobicContact CG-CB 4.26Å; K197-D204 WeakPolarHBondContact CE-OD1 3.38Å; K197-D204 IonicContact NZ-OD1 2.62Å; K197-D204 PolarHBondContact NZ-OD1 3.1Å; D204-I207 WeakPolarHBondContact O-CG2 3.44Å
205E93.6Very high95.3Very high145 Ų14536.9 Ų36.968%0.67822%0.221SC*.THydrogen-bonded Turntrans-78.5-49.2177.1-62.470.1-152.400111.1S203 I207S203-E205 WeakPolarHBondContact CB-OE2 3.34Å; S203-E205 PolarHBondContact O-N 3.36Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3Å
206D94.8Very high95.2Very high99 Ų9937.5 Ų37.553%0.52923%0.225SC..G310 helixtrans-75.3-24.8-172.4-65.3-41.6000112.7V202 S203 A208 S209V202-D206 HydrophobicContact CG1-CB 3.75Å; S203-D206 WeakPolarHBondContact OG-CB 3.39Å; S203-D206 PolarHBondContact OG-N 2.87Å; S203-D206 PolarHBondContact OG-OD2 3.48Å; D206-A208 PolarHBondContact O-N 2.83Å; D206-S209 WeakPolarHBondContact O-CB 3.41Å; D206-S209 PolarHBondContact O-N 3.18Å; D206-S209 PolarHBondContact O-OG 3.18Å
207I95.4Very high95.3Very high0 Ų037.6 Ų37.60%023%0.226CC..G310 helixtrans-60.2-23.7-178.9-167.656.5000112.3Y119 L158 R193 K197 V202 S203 D204 E205 S209 V210Y119-I207 HydrophobicContact CD2-CG2 4.48Å; L158-I207 HydrophobicContact CD2-CG1 3.53Å; L158-I207 HydrophobicContact CD2-CG2 4.19Å; R193-I207 HydrophobicContact CB-CD1 4.47Å; R193-I207 PolarHBondContact NH2-O 3.14Å; K197-I207 HydrophobicContact CB-CD1 3.65Å; K197-I207 HydrophobicContact CB-CG1 4.05Å; K197-I207 HydrophobicContact CD-CB 4.36Å; K197-I207 HydrophobicContact CD-CG1 4.13Å; K197-I207 HydrophobicContact CG-CB 4.27Å; K197-I207 HydrophobicContact CG-CD1 4Å; K197-I207 HydrophobicContact CG-CG1 4Å; V202-I207 HydrophobicContact CB-CD1 4.44Å; V202-I207 HydrophobicContact CG1-CB 3.98Å; V202-I207 HydrophobicContact CG1-CD1 4.19Å; S203-I207 WeakPolarHBondContact O-CB 3.44Å; S203-I207 PolarHBondContact O-N 3.34Å; D204-I207 WeakPolarHBondContact O-CG2 3.44Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3Å; I207-S209 PolarHBondContact O-N 2.76Å; I207-V210 HydrophobicContact CD1-CB 3.99Å; I207-V210 HydrophobicContact CD1-CG2 3.88Å; I207-V210 PolarHBondContact O-N 3.07Å
208A91.5Very high95.3Very high30 Ų3036.8 Ų36.825%0.24822%0.223CC..G310 helixtrans-63.3-27.9175.300000113.1R117 D206R117-A208 HydrophobicContact CB-CB 3.97Å; R117-A208 WeakPolarHBondContact O-CA 3.37Å; D206-A208 PolarHBondContact O-N 2.83Å
209S91.2Very high95.3Very high86 Ų8633.6 Ų33.660%0.60121%0.208SC*.G310 helixtrans-81.7-18.8177.674.30000113.4D206 I207 T211D206-S209 WeakPolarHBondContact O-CB 3.41Å; D206-S209 PolarHBondContact O-N 3.18Å; D206-S209 PolarHBondContact O-OG 3.18Å; I207-S209 PolarHBondContact O-N 2.76Å; S209-T211 PolarHBondContact O-N 3.32Å; S209-T211 VanDerWaalsContact O-N 3.11Å
210V93.4Very high95.4Very high7 Ų733 Ų334%0.04221%0.205CC..  trans-72.7110.6-178.9-177.40000109.7R117 R193 L196 V202 I207R117-V210 PolarHBondContact NH1-O 2.95Å; R193-V210 VanDerWaalsContact CD-O 3.28Å; R193-V210 WeakPolarHBondContact CD-O 3.49Å; R193-V210 HydrophobicContact CG-CG1 4.22Å; R193-V210 PolarHBondContact NE-O 3.04Å; L196-V210 HydrophobicContact CD1-CG1 4.27Å; V202-V210 HydrophobicContact CG1-CG2 4.31Å; I207-V210 HydrophobicContact CD1-CB 3.99Å; I207-V210 HydrophobicContact CD1-CG2 3.88Å; I207-V210 PolarHBondContact O-N 3.07Å
211T90.4Very high95.4Very high12 Ų1231.6 Ų31.67%0.07420%0.198CC..  trans-113.9133.7175.8-63.80000110.7R117 S209 I245 V248 E249R117-T211 VanDerWaalsContact CZ-OG1 3.25Å; R117-T211 PolarHBondContact NH1-OG1 3.29Å; R117-T211 PolarHBondContact NH2-OG1 3.36Å; S209-T211 PolarHBondContact O-N 3.32Å; S209-T211 VanDerWaalsContact O-N 3.11Å; T211-I245 HydrophobicContact CG2-CB 4.45Å; T211-I245 HydrophobicContact CG2-CG2 3.91Å; T211-V248 HydrophobicContact CG2-CB 3.96Å; T211-V248 HydrophobicContact CG2-CG1 3.85Å; T211-E249 HydrophobicContact CG2-CG 4.24Å; T211-E249 PolarHBondContact OG1-OE1 3.24Å; T211-E249 VanDerWaalsContact OG1-OE1 3.07Å
212L92.8Very high95.5Very high7 Ų728.5 Ų28.54%0.03717%0.167CC..  trans-114.9120.7174.5-63.6178.8000110.1R10 C192 R193 L196 V218R10-L212 PolarHBondContact NH1-O 3.12Å; C192-L212 HydrophobicContact CB-CD1 3.37Å; R193-L212 HydrophobicContact CG-CD1 4.23Å; R193-L212 HydrophobicContact CG-CG 4.38Å; L196-L212 HydrophobicContact CD1-CD1 3.93Å; L196-L212 HydrophobicContact CD1-CD2 3.81Å; L196-L212 HydrophobicContact CD1-CG 4.27Å; L212-V218 HydrophobicContact CD2-CG2 3.95Å
213P95.2Very high95.5Very high1 Ų129.2 Ų29.21%0.00617%0.169CC..  trans-69.1160.3172.428.6-29.1000110.9V216 L234 I241 A244 I245P213-V216 HydrophobicContact CB-CG2 4.08Å; P213-V216 HydrophobicContact CG-CB 3.85Å; P213-V216 HydrophobicContact CG-CG1 4.39Å; P213-V216 HydrophobicContact CG-CG2 3.66Å; P213-L234 HydrophobicContact CG-CD2 3.92Å; P213-I241 HydrophobicContact CG-CG2 4.39Å; P213-A244 HydrophobicContact CB-CB 3.66Å; P213-I245 HydrophobicContact CB-CG1 4.35Å; P213-I245 HydrophobicContact CG-CG1 3.97Å
214T95.2Very high95.3Very high17 Ų1733 Ų3310%0.10418%0.183CC..THydrogen-bonded Turntrans-72145.4171.145.10000109.7R10 H11 E37 V216R10-T214 HydrophobicContact CG-CG2 4.45Å; R10-T214 VanDerWaalsContact CZ-CG2 3.45Å; H11-T214 WeakPolarHBondContact O-CB 3.31Å; E37-T214 PolarHBondContact OE1-OG1 3.32Å; E37-T214 PolarHBondContact OE2-OG1 3.06Å; T214-V216 VanDerWaalsContact C-N 3.3Å; T214-V216 PolarHBondContact O-N 3.29Å
215G96.2Very high95.2Very high14 Ų1435.7 Ų35.714%0.14420%0.198CC..THydrogen-bonded Turntrans62.633.5168.200000115R10 C41R10-G215 PolarHBondContact O-N 2.9Å; R10-G215 VanDerWaalsContact O-N 3.1Å; C41-G215 PolarHBondContact SG-O 2.72Å
216V97.9Very high95.3Very high17 Ų1729.6 Ų29.610%0.10317%0.169CC..  trans-128.5119174.2179.20000108.7L9 P213 T214 V218 L234 I241L9-V216 WeakPolarHBondContact CD1-O 3.43Å; P213-V216 HydrophobicContact CB-CG2 4.08Å; P213-V216 HydrophobicContact CG-CB 3.85Å; P213-V216 HydrophobicContact CG-CG1 4.39Å; P213-V216 HydrophobicContact CG-CG2 3.66Å; T214-V216 VanDerWaalsContact C-N 3.3Å; T214-V216 PolarHBondContact O-N 3.29Å; V216-V218 PolarHBondContact O-N 3.06Å; V216-L234 HydrophobicContact CG1-CB 3.93Å; V216-L234 HydrophobicContact CG1-CD2 4.02Å; V216-L234 HydrophobicContact CG1-CG 4.48Å; V216-I241 HydrophobicContact CG1-CD1 3.89Å; V216-I241 HydrophobicContact CG1-CG1 3.89Å; V216-I241 HydrophobicContact CG2-CG1 4.13Å
217P98.3Very high95.3Very high2 Ų231.4 Ų31.41%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-67.1133176.9-19.132.5000111.3V7 L9 C41 L45 L235V7-P217 HydrophobicContact CG1-CB 3.88Å; L9-P217 HydrophobicContact CD1-CG 4.49Å; C41-P217 HydrophobicContact CB-CG 4.12Å; L45-P217 HydrophobicContact CD1-CB 4.46Å; L45-P217 HydrophobicContact CD1-CG 4.17Å; L45-P217 HydrophobicContact CD2-CB 4.07Å; L45-P217 HydrophobicContact CD2-CG 4.26Å; L45-P217 HydrophobicContact CG-CB 4.44Å; L45-P217 HydrophobicContact CG-CG 4.12Å; P217-L235 HydrophobicContact CB-CB 4.27Å; P217-L235 HydrophobicContact CB-CD1 4.11Å; P217-L235 HydrophobicContact CB-CG 4.41Å; P217-L235 PolarHBondContact O-N 3.31Å
218V98.4Very high95.3Very high4 Ų433.2 Ų33.22%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-107.6109.1175.3-177.20000108.3V7 L8 L212 V216 R232 Q233 L234V7-V218 WeakPolarHBondContact CA-O 3.44Å; L8-V218 HydrophobicContact CB-CB 4.27Å; L8-V218 PolarHBondContact N-O 3.1Å; L8-V218 PolarHBondContact O-N 2.81Å; L212-V218 HydrophobicContact CD2-CG2 3.95Å; V216-V218 PolarHBondContact O-N 3.06Å; V218-R232 HydrophobicContact CG1-CB 3.99Å; V218-R232 HydrophobicContact CG1-CG 4.33Å; V218-Q233 CarbonylContact C-O 3.53Å; V218-Q233 WeakPolarHBondContact CA-O 3.42Å; V218-L234 HydrophobicContact CG2-CD2 4.4Å; V218-L234 HydrophobicContact CG2-CG 4.39Å
219Q97.9Very high95.6Very high14 Ų1434.8 Ų34.87%0.06519%0.191CC..EExtended strand (participates in β ladder)trans-86.8133.1177.4-175.9-156.2-37.200110.8Y50 E221 R232 Q233 L235Y50-Q219 VanDerWaalsContact OH-CD 3.28Å; Y50-Q219 VanDerWaalsContact OH-CG 3.3Å; Y50-Q219 WeakPolarHBondContact OH-CG 3.44Å; Y50-Q219 PolarHBondContact OH-OE1 3.34Å; Y50-Q219 VanDerWaalsContact OH-OE1 3.08Å; Q219-E221 PolarHBondContact NE2-OE1 2.94Å; Q219-R232 WeakPolarHBondContact O-CA 3.14Å; Q219-Q233 HydrophobicContact CB-CB 4.39Å; Q219-Q233 PolarHBondContact N-O 3.24Å; Q219-Q233 PolarHBondContact O-N 3.33Å; Q219-L235 HydrophobicContact CB-CD1 4.21Å; Q219-L235 HydrophobicContact CB-CD2 4.15Å; Q219-L235 HydrophobicContact CB-CG 4.22Å
220L98Very high95.8Very high1 Ų133.6 Ų33.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-119.7139.2167.8-68.1157.5000109.8L6 L8 L196 L199 L222 P228 R232L6-L220 HydrophobicContact CB-CB 4.36Å; L6-L220 HydrophobicContact CD2-CD1 4Å; L6-L220 PolarHBondContact N-O 3.34Å; L6-L220 PolarHBondContact O-N 2.92Å; L8-L220 HydrophobicContact CD1-CD1 3.87Å; L8-L220 HydrophobicContact CG-CD1 4.12Å; L196-L220 HydrophobicContact CD2-CD1 3.86Å; L196-L220 HydrophobicContact CD2-CD2 4.15Å; L196-L220 HydrophobicContact CD2-CG 4.4Å; L199-L220 HydrophobicContact CD1-CD1 3.85Å; L220-L222 HydrophobicContact CB-CD2 4.12Å; L220-P228 HydrophobicContact CD2-CG 4.43Å; L220-R232 HydrophobicContact CD2-CB 3.75Å; L220-R232 HydrophobicContact CG-CB 4.49Å
221E96.8Very high95.9Very high24 Ų2438.6 Ų38.611%0.11221%0.207CC..EExtended strand (participates in β ladder)trans-113.4124.2167.1-80.5-178.2-145.500108.9S2 Y4 R5 Q219 P228 V229 K230S2-E221 WeakPolarHBondContact CB-OE2 3.49Å; S2-E221 PolarHBondContact OG-OE2 3.05Å; Y4-E221 WeakPolarHBondContact O-CA 3.46Å; R5-E221 HydrophobicContact CG-CG 4.37Å; Q219-E221 PolarHBondContact NE2-OE1 2.94Å; E221-P228 CarbonylContact O-C 3.58Å; E221-P228 VanDerWaalsContact O-CA 3.31Å; E221-P228 WeakPolarHBondContact O-CA 3.39Å; E221-V229 HydrophobicContact CB-CG2 3.83Å; E221-V229 PolarHBondContact O-N 2.9Å; E221-K230 HydrophobicContact CB-CG 4.33Å; E221-K230 VanDerWaalsContact CD-NZ 3.26Å; E221-K230 WeakPolarHBondContact OE1-CE 3.25Å; E221-K230 IonicContact OE1-NZ 2.78Å; E221-K230 PolarHBondContact OE1-NZ 3.12Å; E221-K230 IonicContact OE2-NZ 3.84Å
222L97.5Very high96.1Very high0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-116.7147.3-171.1-49.5177000111.1K3 Y4 L6 L220 L226 K227 P228K3-L222 PolarHBondContact N-O 2.88Å; Y4-L222 HydrophobicContact CD2-CB 4.5Å; Y4-L222 PolarHBondContact N-O 2.85Å; Y4-L222 PolarHBondContact O-N 2.72Å; L6-L222 HydrophobicContact CB-CD1 4.48Å; L6-L222 HydrophobicContact CD2-CD1 4.41Å; L220-L222 HydrophobicContact CB-CD2 4.12Å; L222-L226 HydrophobicContact CD1-CB 4.45Å; L222-L226 HydrophobicContact CD1-CD2 4.3Å; L222-K227 CarbonylContact C-O 3.53Å; L222-K227 VanDerWaalsContact CA-O 3.28Å; L222-K227 WeakPolarHBondContact CA-O 3.35Å; L222-P228 HydrophobicContact CD2-CB 4.4Å; L222-P228 HydrophobicContact CD2-CG 3.99Å
223D96.3Very high96.3Very high37 Ų3745 Ų4520%0.19823%0.233CC..  trans-80.9-175.2169.370.413.8000112.2Y4 N225 L226 K227 V229Y4-D223 WeakPolarHBondContact CD2-O 3.41Å; Y4-D223 VanDerWaalsContact CE2-O 3.31Å; Y4-D223 WeakPolarHBondContact CE2-O 3.47Å; D223-N225 PolarHBondContact O-N 3.05Å; D223-N225 VanDerWaalsContact OD1-C 3.27Å; D223-N225 VanDerWaalsContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CA 3.3Å; D223-N225 WeakPolarHBondContact OD1-CB 3.43Å; D223-N225 PolarHBondContact OD1-N 3.33Å; D223-L226 PolarHBondContact O-N 3.45Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.09Å; D223-K227 PolarHBondContact N-O 2.64Å; D223-K227 PolarHBondContact OD1-N 2.87Å; D223-V229 HydrophobicContact CB-CG1 3.67Å
224E94.7Very high96.4Very high118 Ų11846.3 Ų46.355%0.55124%0.24SC*.THydrogen-bonded Turntrans-62.8-21.5178.565.5-169176.800115K3 L226K3-E224 HydrophobicContact CD-CB 3.81Å; E224-L226 VanDerWaalsContact C-N 3.32Å
225N93.9Very high96.5Very high115 Ų11546.1 Ų46.162%0.61524%0.238SC*.THydrogen-bonded Turntrans-96.512.8175.8-59.7-56.8000111.9D223 K227D223-N225 PolarHBondContact O-N 3.05Å; D223-N225 VanDerWaalsContact OD1-C 3.27Å; D223-N225 VanDerWaalsContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CA 3.3Å; D223-N225 WeakPolarHBondContact OD1-CB 3.43Å; D223-N225 PolarHBondContact OD1-N 3.33Å; N225-K227 HydrophobicContact CB-CG 4.47Å; N225-K227 PolarHBondContact O-N 3.39Å
226L94.9Very high96.5Very high16 Ų1647.1 Ų47.18%0.08425%0.249CC..SBendtrans60.524.1-177.6-54.3-176000114.5Y4 V174 I177 L222 D223 E224Y4-L226 HydrophobicContact CD2-CD2 3.68Å; Y4-L226 HydrophobicContact CE2-CD2 3.87Å; V174-L226 HydrophobicContact CB-CD1 4.04Å; V174-L226 HydrophobicContact CG1-CD1 3.67Å; V174-L226 HydrophobicContact CG2-CD1 3.54Å; I177-L226 HydrophobicContact CB-CD2 4.32Å; I177-L226 HydrophobicContact CG2-CD2 3.55Å; L222-L226 HydrophobicContact CD1-CB 4.45Å; L222-L226 HydrophobicContact CD1-CD2 4.3Å; D223-L226 PolarHBondContact O-N 3.45Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.09Å; E224-L226 VanDerWaalsContact C-N 3.32Å
227K95.4Very high96.3Very high138 Ų13850.3 Ų50.360%0.627%0.265SS*.  trans-88.5137.9174-64.3-170.3176.7-176.30110.7L222 D223 N225 V229L222-K227 CarbonylContact C-O 3.53Å; L222-K227 VanDerWaalsContact CA-O 3.28Å; L222-K227 WeakPolarHBondContact CA-O 3.35Å; D223-K227 PolarHBondContact N-O 2.64Å; D223-K227 PolarHBondContact OD1-N 2.87Å; N225-K227 HydrophobicContact CB-CG 4.47Å; N225-K227 PolarHBondContact O-N 3.39Å; K227-V229 PolarHBondContact O-N 2.95Å
228P96.3Very high96.2Very high37 Ų3755.1 Ų55.124%0.2429%0.287CS..BIsolated β-bridgetrans-57.2125.5173.1-25.134.6000111.5L199 E200 L220 E221 L222L199-P228 HydrophobicContact CB-CG 4.29Å; L199-P228 WeakPolarHBondContact O-CD 3.07Å; L199-P228 WeakPolarHBondContact O-CG 3.47Å; E200-P228 HydrophobicContact CG-CG 3.97Å; L220-P228 HydrophobicContact CD2-CG 4.43Å; E221-P228 CarbonylContact O-C 3.58Å; E221-P228 VanDerWaalsContact O-CA 3.31Å; E221-P228 WeakPolarHBondContact O-CA 3.39Å; L222-P228 HydrophobicContact CD2-CB 4.4Å; L222-P228 HydrophobicContact CD2-CG 3.99Å
229V96.4Very high96Very high63 Ų6358.4 Ų58.438%0.38232%0.315SS..SBendtrans-87.8-13.1176.9-600000113E221 D223 K227E221-V229 HydrophobicContact CB-CG2 3.83Å; E221-V229 PolarHBondContact O-N 2.9Å; D223-V229 HydrophobicContact CB-CG1 3.67Å; K227-V229 PolarHBondContact O-N 2.95Å
230K95.4Very high95.7Very high62 Ų6265 Ų6527%0.2734%0.344SS..SBendtrans-149.4162.2176.965.5176.4-178.4-177.60109.9E221E221-K230 HydrophobicContact CB-CG 4.33Å; E221-K230 VanDerWaalsContact CD-NZ 3.26Å; E221-K230 WeakPolarHBondContact OE1-CE 3.25Å; E221-K230 IonicContact OE1-NZ 2.78Å; E221-K230 PolarHBondContact OE1-NZ 3.12Å; E221-K230 IonicContact OE2-NZ 3.84Å
231P95.3Very high95.6Very high112 Ų11265.2 Ų65.273%0.72735%0.345SS*.  trans-54.7142.2172.8-25.235.1000111.5
232R95.8Very high95.4Very high71 Ų7169.2 Ų69.227%0.26836%0.363SS..  trans-54146.5173.167175.3176.1-78.2-1.9110.8E200 V218 Q219 L220E200-R232 WeakPolarHBondContact OE1-CB 3.09Å; E200-R232 VanDerWaalsContact OE1-CD 3.25Å; E200-R232 WeakPolarHBondContact OE1-CD 3.26Å; E200-R232 WeakPolarHBondContact OE1-CG 3.23Å; E200-R232 IonicContact OE1-CZ 3.52Å; E200-R232 IonicContact OE1-NE 3.92Å; E200-R232 IonicContact OE1-NH1 3.37Å; E200-R232 PolarHBondContact OE1-NH1 2.94Å; E200-R232 IonicContact OE2-CZ 3.95Å; E200-R232 IonicContact OE2-NH1 3.07Å; E200-R232 PolarHBondContact OE2-NH1 2.92Å; V218-R232 HydrophobicContact CG1-CB 3.99Å; V218-R232 HydrophobicContact CG1-CG 4.33Å; Q219-R232 WeakPolarHBondContact O-CA 3.14Å; L220-R232 HydrophobicContact CD2-CB 3.75Å; L220-R232 HydrophobicContact CG-CB 4.49Å
233Q96.9Very high95.2Very high82 Ų8272.2 Ų72.238%0.38339%0.388SS..EExtended strand (participates in β ladder)trans-114.8125.5177.9-63.1-176.6-25.500109.5V218 Q219 L235V218-Q233 CarbonylContact C-O 3.53Å; V218-Q233 WeakPolarHBondContact CA-O 3.42Å; Q219-Q233 HydrophobicContact CB-CB 4.39Å; Q219-Q233 PolarHBondContact N-O 3.24Å; Q219-Q233 PolarHBondContact O-N 3.33Å; Q233-L235 HydrophobicContact CB-CD2 4.27Å
234L97.3Very high95Very high28 Ų2871.9 Ų71.915%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-86112.4167.8-68.2103.8000107.8P213 V216 V218 Q238 I241 I245P213-L234 HydrophobicContact CG-CD2 3.92Å; V216-L234 HydrophobicContact CG1-CB 3.93Å; V216-L234 HydrophobicContact CG1-CD2 4.02Å; V216-L234 HydrophobicContact CG1-CG 4.48Å; V218-L234 HydrophobicContact CG2-CD2 4.4Å; V218-L234 HydrophobicContact CG2-CG 4.39Å; L234-Q238 PolarHBondContact O-NE2 3.26Å; L234-I241 HydrophobicContact CB-CD1 4Å; L234-I241 HydrophobicContact CB-CG2 3.95Å; L234-I241 HydrophobicContact CD2-CG2 3.82Å; L234-I241 HydrophobicContact CG-CG2 4.37Å; L234-I245 HydrophobicContact CD2-CD1 4.49Å
235L97.3Very high95Very high14 Ų1467.3 Ų67.37%0.07337%0.369CS..  trans-79130.9-173.2-56.3-177.7000110.5L44 L45 Y50 P217 Q219 Q233L44-L235 HydrophobicContact CD2-CB 3.89Å; L44-L235 WeakPolarHBondContact CD2-O 3.5Å; L45-L235 HydrophobicContact CD2-CD1 4.01Å; Y50-L235 HydrophobicContact CE2-CD1 4Å; P217-L235 HydrophobicContact CB-CB 4.27Å; P217-L235 HydrophobicContact CB-CD1 4.11Å; P217-L235 HydrophobicContact CB-CG 4.41Å; P217-L235 PolarHBondContact O-N 3.31Å; Q219-L235 HydrophobicContact CB-CD1 4.21Å; Q219-L235 HydrophobicContact CB-CD2 4.15Å; Q219-L235 HydrophobicContact CB-CG 4.22Å; Q233-L235 HydrophobicContact CB-CD2 4.27Å
236G95.6Very high94.9Very high35 Ų3567.5 Ų67.536%0.36137%0.365SS..SBendtrans127.6-165.6177.200000113Q238G236-Q238 PolarHBondContact O-N 3.16Å; G236-Q238 PolarHBondContact O-NE2 3.33Å
237D94.8Very high94.7Very high83 Ų8372.3 Ų72.344%0.44439%0.385SS..  trans-65.7114.3177.2-179.9-48.6000110.6A239 K240 I241D237-A239 VanDerWaalsContact C-N 3.32Å; D237-A239 PolarHBondContact O-N 3.04Å; D237-A239 WeakPolarHBondContact OD1-CA 3.47Å; D237-A239 WeakPolarHBondContact OD1-CB 3.43Å; D237-A239 PolarHBondContact OD1-N 2.91Å; D237-K240 HydrophobicContact CB-CB 4.12Å; D237-K240 HydrophobicContact CB-CD 3.98Å; D237-K240 HydrophobicContact CB-CG 4.11Å; D237-K240 PolarHBondContact O-N 3.47Å; D237-K240 PolarHBondContact OD1-N 3.07Å; D237-I241 WeakPolarHBondContact O-CD1 3.3Å; D237-I241 WeakPolarHBondContact O-CG1 3.48Å; D237-I241 PolarHBondContact O-N 3.18Å
238Q95.1Very high94.3Very high103 Ų10366.4 Ų66.448%0.48136%0.36SS..Hα-helixtrans-65.1-33.7-174-62.1-56.6-5900112.8L234 G236 I241 Q242L234-Q238 PolarHBondContact O-NE2 3.26Å; G236-Q238 PolarHBondContact O-N 3.16Å; G236-Q238 PolarHBondContact O-NE2 3.33Å; Q238-I241 PolarHBondContact O-N 3.34Å; Q238-Q242 WeakPolarHBondContact O-CG 3.35Å; Q238-Q242 PolarHBondContact O-N 3.07Å
239A94Very high93.9Very high74 Ų7468.6 Ų68.661%0.61237%0.367SS*.Hα-helixtrans-68-43178.400000111D237 I241 Q242 A243D237-A239 VanDerWaalsContact C-N 3.32Å; D237-A239 PolarHBondContact O-N 3.04Å; D237-A239 WeakPolarHBondContact OD1-CA 3.47Å; D237-A239 WeakPolarHBondContact OD1-CB 3.43Å; D237-A239 PolarHBondContact OD1-N 2.91Å; A239-I241 VanDerWaalsContact C-N 3.35Å; A239-Q242 PolarHBondContact O-N 2.83Å; A239-A243 PolarHBondContact O-N 2.89Å
240K93.1Very high93.5Very high152 Ų15268 Ų6866%0.66136%0.362SS*.Hα-helixtrans-64.3-39.8174.8-67.1-179.3-173.11720112D237 A243 A244D237-K240 HydrophobicContact CB-CB 4.12Å; D237-K240 HydrophobicContact CB-CD 3.98Å; D237-K240 HydrophobicContact CB-CG 4.11Å; D237-K240 PolarHBondContact O-N 3.47Å; D237-K240 PolarHBondContact OD1-N 3.07Å; K240-A243 PolarHBondContact O-N 2.85Å; K240-A244 WeakPolarHBondContact O-CB 3.48Å; K240-A244 PolarHBondContact O-N 2.93Å
241I94.9Very high93Very high6 Ų666.2 Ų66.23%0.03136%0.355CS..Hα-helixtrans-61.9-47.3177.1-70.7164000110.8P213 V216 L234 D237 Q238 A239 A243 A244 I245P213-I241 HydrophobicContact CG-CG2 4.39Å; V216-I241 HydrophobicContact CG1-CD1 3.89Å; V216-I241 HydrophobicContact CG1-CG1 3.89Å; V216-I241 HydrophobicContact CG2-CG1 4.13Å; L234-I241 HydrophobicContact CB-CD1 4Å; L234-I241 HydrophobicContact CB-CG2 3.95Å; L234-I241 HydrophobicContact CD2-CG2 3.82Å; L234-I241 HydrophobicContact CG-CG2 4.37Å; D237-I241 WeakPolarHBondContact O-CD1 3.3Å; D237-I241 WeakPolarHBondContact O-CG1 3.48Å; D237-I241 PolarHBondContact O-N 3.18Å; Q238-I241 PolarHBondContact O-N 3.34Å; A239-I241 VanDerWaalsContact C-N 3.35Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.33Å; I241-A244 PolarHBondContact O-N 3.07Å; I241-I245 HydrophobicContact CG2-CD1 3.95Å; I241-I245 WeakPolarHBondContact O-CG1 3.29Å; I241-I245 PolarHBondContact O-N 3.06Å
242Q93.4Very high92.1Very high108 Ų10861.3 Ų61.351%0.50532%0.324SS..Hα-helixtrans-63.4-39.9178-67.5-56.2-29.100112.2Q238 A239 A244 I245 K246Q238-Q242 WeakPolarHBondContact O-CG 3.35Å; Q238-Q242 PolarHBondContact O-N 3.07Å; A239-Q242 PolarHBondContact O-N 2.83Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.7Å; Q242-I245 PolarHBondContact O-N 2.88Å; Q242-K246 WeakPolarHBondContact O-CB 3.4Å; Q242-K246 PolarHBondContact O-N 2.75Å
243A92.9Very high91.4Very high63 Ų6362.9 Ų62.952%0.52133%0.333SS..Hα-helixtrans-61.8-41.4173.700000112.2A239 K240 I241 K246 K247A239-A243 PolarHBondContact O-N 2.89Å; K240-A243 PolarHBondContact O-N 2.85Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.33Å; A243-K246 PolarHBondContact O-N 3.11Å; A243-K247 PolarHBondContact O-N 3.07Å
244A92.4Very high90.4Very high29 Ų2960.5 Ų60.524%0.2433%0.327CS..Hα-helixtrans-67.2-38.917700000112.5P213 K240 I241 Q242 K247 V248P213-A244 HydrophobicContact CB-CB 3.66Å; K240-A244 WeakPolarHBondContact O-CB 3.48Å; K240-A244 PolarHBondContact O-N 2.93Å; I241-A244 PolarHBondContact O-N 3.07Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.7Å; A244-K247 WeakPolarHBondContact O-CB 3.49Å; A244-K247 PolarHBondContact O-N 2.93Å; A244-V248 WeakPolarHBondContact O-CG2 3.32Å; A244-V248 PolarHBondContact O-N 3.37Å; A244-V248 VanDerWaalsContact O-N 3.16Å
245I92.9Very high89Confident22 Ų2267.3 Ų67.311%0.11336%0.356CS..Hα-helixtrans-59-50.8172.9-73169.3000110T211 P213 L234 I241 Q242 K247 V248 E249T211-I245 HydrophobicContact CG2-CB 4.45Å; T211-I245 HydrophobicContact CG2-CG2 3.91Å; P213-I245 HydrophobicContact CB-CG1 4.35Å; P213-I245 HydrophobicContact CG-CG1 3.97Å; L234-I245 HydrophobicContact CD2-CD1 4.49Å; I241-I245 HydrophobicContact CG2-CD1 3.95Å; I241-I245 WeakPolarHBondContact O-CG1 3.29Å; I241-I245 PolarHBondContact O-N 3.06Å; Q242-I245 PolarHBondContact O-N 2.88Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 2.96Å; I245-V248 PolarHBondContact O-N 3.42Å; I245-E249 PolarHBondContact O-N 2.92Å
246K91.9Very high86.9Confident120 Ų12075.5 Ų75.552%0.52239%0.394SS..Hα-helixtrans-59.2-41.9178.1-174.1175.7-178.9-65.90112.1Q242 A243 V248 E249 D250Q242-K246 WeakPolarHBondContact O-CB 3.4Å; Q242-K246 PolarHBondContact O-N 2.75Å; A243-K246 PolarHBondContact O-N 3.11Å; K246-V248 VanDerWaalsContact C-N 3.29Å; K246-V248 PolarHBondContact O-N 3.37Å; K246-E249 PolarHBondContact O-N 3.01Å; K246-E249 VanDerWaalsContact O-N 3.13Å; K246-D250 WeakPolarHBondContact CG-OD2 3.45Å; K246-D250 IonicContact NZ-OD2 3.57Å; K246-D250 PolarHBondContact NZ-OD2 3.38Å; K246-D250 WeakPolarHBondContact O-CB 3.4Å; K246-D250 VanDerWaalsContact O-CG 3.3Å; K246-D250 PolarHBondContact O-N 3.42Å
247K90.8Very high84.5Confident117 Ų11778.9 Ų78.951%0.50942%0.418SS..Hα-helixtrans-55-43.8174-173.2-170.6-178.3-167.10111.4E13 A243 A244 I245 Q251E13-K247 IonicContact OE1-NZ 2.8Å; E13-K247 PolarHBondContact OE1-NZ 2.91Å; A243-K247 PolarHBondContact O-N 3.07Å; A244-K247 WeakPolarHBondContact O-CB 3.49Å; A244-K247 PolarHBondContact O-N 2.93Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 2.96Å; K247-Q251 WeakPolarHBondContact O-CG 3.45Å; K247-Q251 PolarHBondContact O-N 3.29Å
248V88Confident81.7Confident13 Ų1384.9 Ų84.98%0.07946%0.458CS..Hα-helixtrans-69.8-34.6179175.80000112R116 T211 A244 I245 K246R116-V248 PolarHBondContact NH2-O 3.01Å; T211-V248 HydrophobicContact CG2-CB 3.96Å; T211-V248 HydrophobicContact CG2-CG1 3.85Å; A244-V248 WeakPolarHBondContact O-CG2 3.32Å; A244-V248 PolarHBondContact O-N 3.37Å; A244-V248 VanDerWaalsContact O-N 3.16Å; I245-V248 PolarHBondContact O-N 3.42Å; K246-V248 VanDerWaalsContact C-N 3.29Å; K246-V248 PolarHBondContact O-N 3.37Å
249E88.2Confident81Confident83 Ų8384 Ų8439%0.38846%0.457SS..Hα-helixtrans-68.2-46.7176.2-70.3174.7173.500111.4T211 I245 K246 Q251 G252T211-E249 HydrophobicContact CG2-CG 4.24Å; T211-E249 PolarHBondContact OG1-OE1 3.24Å; T211-E249 VanDerWaalsContact OG1-OE1 3.07Å; I245-E249 PolarHBondContact O-N 2.92Å; K246-E249 PolarHBondContact O-N 3.01Å; K246-E249 VanDerWaalsContact O-N 3.13Å; E249-Q251 PolarHBondContact O-N 3.22Å; E249-G252 PolarHBondContact O-N 2.94Å
250D88.4Confident80.4Confident51 Ų5184.5 Ų84.527%0.27345%0.449SS..Hα-helixtrans-64.4-20.3-178.3-70.4-19.4000112.9K246 G252 K253K246-D250 WeakPolarHBondContact CG-OD2 3.45Å; K246-D250 IonicContact NZ-OD2 3.57Å; K246-D250 PolarHBondContact NZ-OD2 3.38Å; K246-D250 WeakPolarHBondContact O-CB 3.4Å; K246-D250 VanDerWaalsContact O-CG 3.3Å; K246-D250 PolarHBondContact O-N 3.42Å; D250-G252 PolarHBondContact O-N 3.13Å; D250-K253 PolarHBondContact O-N 3.03Å; D250-K253 WeakPolarHBondContact OD1-CD 3.44Å; D250-K253 VanDerWaalsContact OD1-CE 3.3Å; D250-K253 WeakPolarHBondContact OD1-CE 3.23Å; D250-K253 IonicContact OD1-NZ 2.85Å; D250-K253 PolarHBondContact OD1-NZ 3.44Å
251Q83.3Confident79.6Confident25 Ų2580.8 Ų80.812%0.11744%0.437CS..THydrogen-bonded Turntrans-56.2-23.9175-81.9175.7-8.900115.3N20 R100 K247 E249N20-Q251 PolarHBondContact ND2-O 2.8Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.42Å; N20-Q251 WeakPolarHBondContact OD1-CG 3.41Å; N20-Q251 PolarHBondContact OD1-O 2.95Å; R100-Q251 VanDerWaalsContact CB-O 3.3Å; R100-Q251 WeakPolarHBondContact CB-O 3.31Å; K247-Q251 WeakPolarHBondContact O-CG 3.45Å; K247-Q251 PolarHBondContact O-N 3.29Å; E249-Q251 PolarHBondContact O-N 3.22Å
252G77Confident78.7Confident8 Ų885.2 Ų85.28%0.08246%0.461CS..THydrogen-bonded Turntrans-100.93.6-179.700000114.4R116 E249 D250R116-G252 VanDerWaalsContact NH1-N 3.16Å; E249-G252 PolarHBondContact O-N 2.94Å; D250-G252 PolarHBondContact O-N 3.13Å
253K80.9Confident77.8Confident104 Ų10483.8 Ų83.845%0.45246%0.458SS..SBendtrans-84.7146.9174.4-64.7-180178.9167.70109.2E109 D250 K255E109-K253 WeakPolarHBondContact OE1-CA 3.49Å; D250-K253 PolarHBondContact O-N 3.03Å; D250-K253 WeakPolarHBondContact OD1-CD 3.44Å; D250-K253 VanDerWaalsContact OD1-CE 3.3Å; D250-K253 WeakPolarHBondContact OD1-CE 3.23Å; D250-K253 IonicContact OD1-NZ 2.85Å; D250-K253 PolarHBondContact OD1-NZ 3.44Å; K253-K255 PolarHBondContact O-N 3.24Å
254A75.7Confident76.8Confident32 Ų3285.1 Ų85.126%0.26445%0.454SS..PPolyproline II helixtrans-61.5135.317000000108.6L105 E109 Q256L105-A254 HydrophobicContact CD2-CB 3.8Å; L105-A254 HydrophobicContact CG-CB 4.31Å; E109-A254 PolarHBondContact OE1-N 2.94Å; A254-Q256 PolarHBondContact O-N 3.45Å
255K67.6Low75.7Confident172 Ų17289.1 Ų89.175%0.74847%0.47SS*.PPolyproline II helixtrans-67.9119.8165.9-76.7-173.1175.9-177.60106.7K253 A257K253-K255 PolarHBondContact O-N 3.24Å; K255-A257 PolarHBondContact O-N 3.07Å
256Q52.9Low74.4Confident185 Ų18594.3 Ų94.386%0.86450%0.497SS*.PPolyproline II helixtrans-57.3130.7165.6-72.1-179.8-7.300107.2A254 T258A254-Q256 PolarHBondContact O-N 3.45Å; Q256-T258 PolarHBondContact O-N 3.33Å; Q256-T258 VanDerWaalsContact O-N 3.07Å
257A45.6Very low72.9Confident106 Ų10692.2 Ų92.288%0.87650%0.495SS*.  trans-61.6113.2171.500000107.4K255K255-A257 PolarHBondContact O-N 3.07Å
258T36.7Very low71.3Confident210 Ų21089.9 Ų89.9100%1.28849%0.494SS*.  trans-75.5016244.60000109.8Q256Q256-T258 PolarHBondContact O-N 3.33Å; Q256-T258 VanDerWaalsContact O-N 3.07Å

Retrieved 258 of 258 residues in 60.1 ms (Link to these results)

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