GST27_SCHMA Loading...

Glutathione S-transferase class-mu 26 kDa isozyme

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.

AlphaFold DB , UniProt , Accession P35661, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M82.9Confident96.4Very high184 Ų18443.6 Ų43.691%0.90621%0.208SC*.  0136.50-169.4171.180.900106.4K4M1-K4 HydrophobicContact CE-CD 4.42Å
2A94.9Very high96.4Very high28 Ų2840.2 Ų40.223%0.23119%0.192CC..  trans-61.7140.2175.700000109.5A27 E29A2-A27 HydrophobicContact CB-CB 4.37Å; A2-E29 HydrophobicContact CB-CG 4.25Å
3P97.9Very high96.5Very high11 Ų1141.5 Ų41.57%0.07120%0.201CC..  trans-55.6146.9173.7-28.436.9000112.6A27 Y28 E29 Y58 I59 D60P3-A27 VanDerWaalsContact CD-O 3.3Å; P3-A27 WeakPolarHBondContact CD-O 3.25Å; P3-Y28 WeakPolarHBondContact O-CA 2.85Å; P3-E29 PolarHBondContact O-N 3.08Å; P3-Y58 HydrophobicContact CB-CE1 4.08Å; P3-Y58 HydrophobicContact CB-CE2 3.6Å; P3-Y58 WeakPolarHBondContact CB-OH 3.45Å; P3-Y58 VanDerWaalsContact CG-OH 3.25Å; P3-Y58 WeakPolarHBondContact CG-OH 3.49Å; P3-I59 CarbonylContact C-O 3.49Å; P3-I59 VanDerWaalsContact CA-O 3.26Å; P3-I59 WeakPolarHBondContact CA-O 3.46Å; P3-D60 HydrophobicContact CB-CB 3.97Å; P3-D60 HydrophobicContact CG-CB 3.99Å
4K98.3Very high96.6Very high77 Ų7738.5 Ų38.534%0.33519%0.186SC..EExtended strand (participates in β ladder)trans-104.4120-179.4-66.2-174.1177.1-177.10111.2M1 E29 Y58 I59M1-K4 HydrophobicContact CE-CD 4.42Å; K4-E29 CarbonylContact C-O 3.54Å; K4-E29 WeakPolarHBondContact CA-O 3.38Å; K4-E29 WeakPolarHBondContact CE-OE2 3.37Å; K4-E29 HydrophobicContact CG-CB 4.37Å; K4-Y58 CarbonylContact O-C 3.57Å; K4-Y58 VanDerWaalsContact O-CA 3.29Å; K4-Y58 WeakPolarHBondContact O-CA 3.27Å; K4-I59 HydrophobicContact CB-CB 4.46Å; K4-I59 PolarHBondContact N-O 2.84Å; K4-I59 PolarHBondContact O-N 3.08Å
5L98.8Very high96.6Very high0 Ų036.1 Ų36.10%017%0.174CC..EExtended strand (participates in β ladder)trans-101.8113.9173.6-177.164.2000109.8V14 T17 R18 L21 Y28 E29 E30 R31 Y58 I71L5-V14 HydrophobicContact CD1-CG2 3.64Å; L5-V14 HydrophobicContact CD2-CG2 3.78Å; L5-V14 HydrophobicContact CG-CG2 3.96Å; L5-T17 HydrophobicContact CD1-CG2 4.34Å; L5-T17 HydrophobicContact CD2-CG2 4.3Å; L5-R18 HydrophobicContact CD2-CG 4.16Å; L5-L21 HydrophobicContact CD2-CD1 4.22Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L5-Y28 HydrophobicContact CD2-CD2 4.3Å; L5-Y28 HydrophobicContact CD2-CE2 4.28Å; L5-E29 PolarHBondContact N-O 2.71Å; L5-E30 CarbonylContact O-C 3.41Å; L5-E30 VanDerWaalsContact O-CA 3.28Å; L5-E30 WeakPolarHBondContact O-CA 3.08Å; L5-R31 PolarHBondContact O-N 2.7Å; L5-Y58 HydrophobicContact CB-CD2 4.29Å; L5-Y58 HydrophobicContact CD1-CD2 4.05Å; L5-I71 HydrophobicContact CD1-CG2 4.32Å
6G98.8Very high96.6Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-102.7125.3179.800000112.6R31 P56 Y57G6-R31 WeakPolarHBondContact CA-O 3.17Å; G6-P56 WeakPolarHBondContact O-CA 3.39Å; G6-P56 WeakPolarHBondContact O-CB 3.5Å; G6-Y57 VanDerWaalsContact CA-CZ 3.43Å; G6-Y57 PolarHBondContact N-O 2.56Å; G6-Y57 PolarHBondContact O-N 3.5Å
7Y98.8Very high96.8Very high15 Ų1532.6 Ų32.66%0.05916%0.159CC..EExtended strand (participates in β ladder)trans-160.2169.6176-158.2-126.3000112.8I10 L13 V14 R31 L32 Y33 L55 P56Y7-I10 HydrophobicContact CD1-CG1 4.23Å; Y7-I10 HydrophobicContact CE1-CD1 4.02Å; Y7-I10 HydrophobicContact CE1-CG1 3.69Å; Y7-L13 WeakPolarHBondContact OH-CB 3.32Å; Y7-L13 WeakPolarHBondContact OH-CG 3.45Å; Y7-L13 PolarHBondContact OH-N 3.04Å; Y7-V14 HydrophobicContact CD1-CB 3.76Å; Y7-V14 HydrophobicContact CD1-CG1 3.24Å; Y7-V14 HydrophobicContact CE1-CB 4.12Å; Y7-V14 HydrophobicContact CE1-CG1 3.88Å; Y7-V14 HydrophobicContact CG-CB 3.96Å; Y7-V14 HydrophobicContact CG-CG1 3.73Å; Y7-R31 PolarHBondContact N-O 3.45Å; Y7-R31 VanDerWaalsContact N-O 3.13Å; Y7-L32 WeakPolarHBondContact O-CA 3.32Å; Y7-Y33 PolarHBondContact O-N 2.77Å; Y7-L55 HydrophobicContact CD2-CB 3.88Å; Y7-L55 HydrophobicContact CE2-CB 4.15Å; Y7-P56 HydrophobicContact CD2-CB 3.57Å; Y7-P56 HydrophobicContact CD2-CG 4.19Å; Y7-P56 HydrophobicContact CE2-CB 4.18Å; Y7-P56 HydrophobicContact CE2-CG 4.3Å; Y7-P56 HydrophobicContact CG-CB 4.19Å
8W98.6Very high96.8Very high64 Ų6430.8 Ų30.824%0.24215%0.15CC..EExtended strand (participates in β ladder)trans-62.1150.6165.3-59.1114.5000110.5I10 Y33 W41 L55 W183W8-I10 HydrophobicContact CB-CD1 4.07Å; W8-I10 HydrophobicContact CB-CG1 3.96Å; W8-I10 HydrophobicContact CB-CG2 4.18Å; W8-I10 PolarHBondContact O-N 2.9Å; W8-Y33 WeakPolarHBondContact CA-O 3.49Å; W8-Y33 HydrophobicContact CE3-CG 4.42Å; W8-Y33 HydrophobicContact CZ3-CG 4.25Å; W8-W41 HydrophobicContact CH2-CB 3.8Å; W8-W41 AromaticContact CH2-CD1 3.9Å; W8-W41 HydrophobicContact CH2-CG 4.11Å; W8-W41 HydrophobicContact CZ2-CB 4.44Å; W8-W41 AromaticContact CZ2-CD1 3.72Å; W8-W41 HydrophobicContact CZ2-CG 4.26Å; W8-W41 HydrophobicContact CZ3-CB 4.49Å; W8-L55 HydrophobicContact CD2-CD1 3.98Å; W8-L55 HydrophobicContact CG-CD1 4.35Å; W8-L55 HydrophobicContact CH2-CD1 4.28Å; W8-L55 HydrophobicContact CZ2-CD1 3.57Å; W8-W183 HydrophobicContact CB-CH2 4.23Å; W8-W183 HydrophobicContact CB-CZ3 4.15Å; W8-W183 HydrophobicContact CD2-CZ3 4.49Å; W8-W183 HydrophobicContact CE3-CZ3 4.16Å
9K98.2Very high96.8Very high91 Ų9129.2 Ų29.240%0.39614%0.142SC..SBendtrans-74.960174-165177.2-172.4178.10112.6L32 Y33 D34 I176 W183K9-L32 HydrophobicContact CB-CB 4.27Å; K9-L32 HydrophobicContact CD-CD1 4.49Å; K9-L32 HydrophobicContact CG-CD1 4.15Å; K9-Y33 PolarHBondContact N-O 3.23Å; K9-D34 WeakPolarHBondContact CD-OD1 3.25Å; K9-D34 IonicContact NZ-OD1 3.16Å; K9-I176 HydrophobicContact CG-CD1 3.92Å; K9-I176 HydrophobicContact CG-CG1 4.29Å; K9-W183 HydrophobicContact CB-CH2 4.21Å; K9-W183 HydrophobicContact CB-CZ2 4.1Å; K9-W183 WeakPolarHBondContact O-CZ2 3.39Å
10I97.4Very high96.9Very high4 Ų427.8 Ų27.82%0.02114%0.135CC..SBendtrans-136.6165.6179.172.2179.5000108.2Y7 W8 R18 P179 W183Y7-I10 HydrophobicContact CD1-CG1 4.23Å; Y7-I10 HydrophobicContact CE1-CD1 4.02Å; Y7-I10 HydrophobicContact CE1-CG1 3.69Å; W8-I10 HydrophobicContact CB-CD1 4.07Å; W8-I10 HydrophobicContact CB-CG1 3.96Å; W8-I10 HydrophobicContact CB-CG2 4.18Å; W8-I10 PolarHBondContact O-N 2.9Å; I10-R18 PolarHBondContact O-NH1 2.97Å; I10-P179 HydrophobicContact CB-CG 3.92Å; I10-P179 HydrophobicContact CG2-CG 3.46Å; I10-P179 VanDerWaalsContact CG2-CG 3.46Å; I10-W183 HydrophobicContact CG2-CD2 4.15Å; I10-W183 HydrophobicContact CG2-CE3 4.13Å; I10-W183 HydrophobicContact CG2-CH2 3.76Å; I10-W183 HydrophobicContact CG2-CZ2 3.77Å; I10-W183 HydrophobicContact CG2-CZ3 3.94Å
11K96.3Very high96.9Very high6 Ų626.5 Ų26.53%0.02613%0.129CC..SBendtrans-62.8-66.3167.2-73.7-168.3178.5-179.80110.1V14 Q15 D160 Y175 I176 K177 P179 L180K11-V14 PolarHBondContact O-N 2.89Å; K11-Q15 HydrophobicContact CB-CB 3.95Å; K11-Q15 HydrophobicContact CB-CG 4.12Å; K11-Q15 HydrophobicContact CD-CG 4.18Å; K11-Q15 HydrophobicContact CG-CB 4.44Å; K11-Q15 HydrophobicContact CG-CG 4.06Å; K11-Q15 PolarHBondContact O-N 3.17Å; K11-D160 IonicContact NZ-OD1 2.63Å; K11-D160 PolarHBondContact NZ-OD1 2.79Å; K11-D160 IonicContact NZ-OD2 2.97Å; K11-Y175 VanDerWaalsContact CE-OH 3.27Å; K11-Y175 WeakPolarHBondContact CE-OH 3.42Å; K11-Y175 PolarHBondContact NZ-OH 2.78Å; K11-Y175 VanDerWaalsContact NZ-OH 3.14Å; K11-I176 WeakPolarHBondContact CE-O 3.48Å; K11-I176 WeakPolarHBondContact CG-O 3.29Å; K11-K177 WeakPolarHBondContact CE-O 3.4Å; K11-P179 PolarHBondContact N-O 2.89Å; K11-L180 HydrophobicContact CD-CD2 3.81Å
12G95.7Very high97.6Very high2 Ų219.8 Ų19.82%0.02110%0.096CC..THydrogen-bonded Turntrans54.1-139.2170.800000113.8R103 L180G12-R103 PolarHBondContact O-NH2 2.98Å; G12-R103 VanDerWaalsContact O-NH2 3.11Å; G12-L180 WeakPolarHBondContact CA-O 3.39Å; G12-L180 PolarHBondContact N-O 2.87Å
13L97.4Very high97.6Very high57 Ų5722.7 Ų22.730%0.29810%0.101SC..THydrogen-bonded Turntrans-80.8-15.8-176.1-61.4175000113.9Y7 Y104Y7-L13 WeakPolarHBondContact OH-CB 3.32Å; Y7-L13 WeakPolarHBondContact OH-CG 3.45Å; Y7-L13 PolarHBondContact OH-N 3.04Å; L13-Y104 HydrophobicContact CD2-CE1 3.82Å
14V97.9Very high97.5Very high0 Ų024.1 Ų24.10%011%0.108CC..THydrogen-bonded Turntrans-101.3-9.6-169.186.90000112.7L5 Y7 K11 T17 R18 P56L5-V14 HydrophobicContact CD1-CG2 3.64Å; L5-V14 HydrophobicContact CD2-CG2 3.78Å; L5-V14 HydrophobicContact CG-CG2 3.96Å; Y7-V14 HydrophobicContact CD1-CB 3.76Å; Y7-V14 HydrophobicContact CD1-CG1 3.24Å; Y7-V14 HydrophobicContact CE1-CB 4.12Å; Y7-V14 HydrophobicContact CE1-CG1 3.88Å; Y7-V14 HydrophobicContact CG-CB 3.96Å; Y7-V14 HydrophobicContact CG-CG1 3.73Å; K11-V14 PolarHBondContact O-N 2.89Å; V14-T17 WeakPolarHBondContact O-CA 3.44Å; V14-T17 VanDerWaalsContact O-CB 3.27Å; V14-T17 WeakPolarHBondContact O-CB 3.26Å; V14-T17 PolarHBondContact O-N 3.14Å; V14-R18 HydrophobicContact CG1-CG 4.44Å; V14-R18 PolarHBondContact O-N 3.33Å; V14-P56 HydrophobicContact CB-CB 4.34Å; V14-P56 HydrophobicContact CG2-CB 3.93Å; V14-P56 HydrophobicContact CG2-CG 4.3Å
15Q97.1Very high97.4Very high2 Ų223.6 Ų23.61%0.00913%0.125CC..Hα-helixtrans-56.9-42.4-178.8-168.26224.200113.2K11 T17 R18 L19 D157 Y169K11-Q15 HydrophobicContact CB-CB 3.95Å; K11-Q15 HydrophobicContact CB-CG 4.12Å; K11-Q15 HydrophobicContact CD-CG 4.18Å; K11-Q15 HydrophobicContact CG-CB 4.44Å; K11-Q15 HydrophobicContact CG-CG 4.06Å; K11-Q15 PolarHBondContact O-N 3.17Å; Q15-T17 PolarHBondContact O-N 3.33Å; Q15-R18 PolarHBondContact O-N 3.47Å; Q15-R18 VanDerWaalsContact OE1-NH1 3.09Å; Q15-L19 HydrophobicContact CG-CD1 4.37Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.32Å; Q15-L19 PolarHBondContact O-N 2.97Å; Q15-D157 VanDerWaalsContact CB-OD1 3.3Å; Q15-D157 WeakPolarHBondContact CB-OD1 3.26Å; Q15-D157 VanDerWaalsContact CG-OD1 3.25Å; Q15-D157 WeakPolarHBondContact CG-OD1 3.38Å; Q15-Y169 PolarHBondContact NE2-OH 3.31Å
16P97.4Very high97.3Very high13 Ų1326.8 Ų26.88%0.08414%0.14CC..Hα-helixtrans-58.1-36.2172.6-26.436.7000113.3L19 L20 L72 M154 D157P16-L19 PolarHBondContact O-N 2.62Å; P16-L20 WeakPolarHBondContact O-CB 3.38Å; P16-L20 PolarHBondContact O-N 3.02Å; P16-L72 HydrophobicContact CB-CD1 4.48Å; P16-L72 HydrophobicContact CB-CD2 4.16Å; P16-M154 HydrophobicContact CB-CB 4.47Å; P16-M154 HydrophobicContact CB-CG 3.84Å; P16-M154 HydrophobicContact CG-CB 4.47Å; P16-M154 HydrophobicContact CG-CG 4.18Å; P16-D157 HydrophobicContact CG-CB 3.95Å
17T98.6Very high97.2Very high1 Ų130 Ų301%0.00617%0.166CC..Hα-helixtrans-67.7-43.6177.1-55.80000112.1L5 V14 Q15 L19 L20 L21 I71 I75L5-T17 HydrophobicContact CD1-CG2 4.34Å; L5-T17 HydrophobicContact CD2-CG2 4.3Å; V14-T17 WeakPolarHBondContact O-CA 3.44Å; V14-T17 VanDerWaalsContact O-CB 3.27Å; V14-T17 WeakPolarHBondContact O-CB 3.26Å; V14-T17 PolarHBondContact O-N 3.14Å; Q15-T17 PolarHBondContact O-N 3.33Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.14Å; T17-L20 PolarHBondContact O-N 3.09Å; T17-L21 HydrophobicContact CG2-CD1 4.03Å; T17-L21 WeakPolarHBondContact O-CG 2.71Å; T17-L21 PolarHBondContact O-N 3.29Å; T17-I71 HydrophobicContact CG2-CG2 3.94Å; T17-I75 HydrophobicContact CG2-CD1 3.53Å
18R97.9Very high97.1Very high0 Ų030.8 Ų30.80%017%0.169CC..Hα-helixtrans-58.7-46.7174.5-66.6176.3179.5132.90.6111L5 I10 V14 Q15 L20 L21 E22 E30 Y169L5-R18 HydrophobicContact CD2-CG 4.16Å; I10-R18 PolarHBondContact O-NH1 2.97Å; V14-R18 HydrophobicContact CG1-CG 4.44Å; V14-R18 PolarHBondContact O-N 3.33Å; Q15-R18 PolarHBondContact O-N 3.47Å; Q15-R18 VanDerWaalsContact OE1-NH1 3.09Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; R18-L21 PolarHBondContact O-N 2.89Å; R18-E22 WeakPolarHBondContact O-CG 3.37Å; R18-E22 PolarHBondContact O-N 3.37Å; R18-E30 IonicContact CZ-OE1 2.77Å; R18-E30 IonicContact NE-OE1 2.78Å; R18-E30 PolarHBondContact NE-OE1 2.93Å; R18-E30 IonicContact NE-OE2 3.69Å; R18-E30 IonicContact NH2-OE1 3.28Å; R18-E30 PolarHBondContact NH2-OE1 3.34Å; R18-Y169 WeakPolarHBondContact CD-OH 3.31Å
19L96.7Very high97.1Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-60.6-43.1178.5-67.2171.2000112Q15 P16 T17 Y23 F153 Y156 I166 Y169Q15-L19 HydrophobicContact CG-CD1 4.37Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.32Å; Q15-L19 PolarHBondContact O-N 2.97Å; P16-L19 PolarHBondContact O-N 2.62Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.14Å; L19-Y23 WeakPolarHBondContact O-CB 3.45Å; L19-Y23 PolarHBondContact O-N 3.16Å; L19-F153 HydrophobicContact CB-CB 4.02Å; L19-F153 HydrophobicContact CB-CD1 3.76Å; L19-F153 HydrophobicContact CB-CG 4.04Å; L19-F153 HydrophobicContact CD1-CB 4.42Å; L19-Y156 HydrophobicContact CD1-CD1 3.35Å; L19-Y156 HydrophobicContact CD1-CE1 3.79Å; L19-Y156 HydrophobicContact CD1-CG 4.26Å; L19-Y156 HydrophobicContact CD2-CE1 4.32Å; L19-I166 HydrophobicContact CD2-CB 4.41Å; L19-I166 HydrophobicContact CD2-CD1 3.68Å; L19-I166 HydrophobicContact CD2-CG2 4.29Å; L19-Y169 HydrophobicContact CD2-CD1 3.92Å; L19-Y169 HydrophobicContact CD2-CE1 3.8Å
20L97.8Very high97.1Very high0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-63.4-47176.8-179.963.9000111.9P16 T17 R18 E22 Y23 L24 L72 I75 A76 M81 H150 F153P16-L20 WeakPolarHBondContact O-CB 3.38Å; P16-L20 PolarHBondContact O-N 3.02Å; T17-L20 PolarHBondContact O-N 3.09Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 3.37Å; L20-Y23 PolarHBondContact O-N 3.04Å; L20-L24 HydrophobicContact CD1-CD1 3.79Å; L20-L24 HydrophobicContact CD1-CG 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.05Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.92Å; L20-L72 HydrophobicContact CB-CD1 4.07Å; L20-L72 HydrophobicContact CD2-CD1 3.59Å; L20-L72 HydrophobicContact CD2-CG 4.47Å; L20-L72 HydrophobicContact CG-CD1 4.48Å; L20-I75 HydrophobicContact CD2-CB 4.06Å; L20-I75 HydrophobicContact CD2-CG2 3.68Å; L20-I75 HydrophobicContact CG-CG2 4.04Å; L20-A76 HydrophobicContact CD2-CB 4.31Å; L20-M81 HydrophobicContact CD1-CE 4.08Å; L20-M81 HydrophobicContact CD1-SD 4.07Å; L20-H150 HydrophobicContact CD1-CB 4.45Å; L20-H150 HydrophobicContact CD2-CB 3.91Å; L20-F153 HydrophobicContact CB-CD2 3.96Å; L20-F153 HydrophobicContact CB-CE2 4.33Å; L20-F153 HydrophobicContact CD1-CD2 3.8Å; L20-F153 HydrophobicContact CD1-CE2 3.54Å; L20-F153 HydrophobicContact CG-CD2 4.48Å
21L97.8Very high97.1Very high1 Ų134.4 Ų34.41%0.00519%0.187CC..Hα-helixtrans-59.6-44.7178.6-73.7163.9000111.7L5 T17 R18 L24 G25 E26 Y28 I75L5-L21 HydrophobicContact CD2-CD1 4.22Å; T17-L21 HydrophobicContact CG2-CD1 4.03Å; T17-L21 WeakPolarHBondContact O-CG 2.71Å; T17-L21 PolarHBondContact O-N 3.29Å; R18-L21 PolarHBondContact O-N 2.89Å; L21-L24 PolarHBondContact O-N 3.36Å; L21-G25 PolarHBondContact O-N 2.87Å; L21-E26 HydrophobicContact CD2-CB 3.7Å; L21-E26 HydrophobicContact CD2-CG 4.39Å; L21-E26 PolarHBondContact O-N 3.26Å; L21-Y28 HydrophobicContact CB-CD1 3.86Å; L21-Y28 HydrophobicContact CB-CE1 3.85Å; L21-Y28 HydrophobicContact CB-CG 4.5Å; L21-Y28 HydrophobicContact CD1-CD1 3.99Å; L21-Y28 HydrophobicContact CD1-CD2 3.86Å; L21-Y28 HydrophobicContact CD1-CE1 4.34Å; L21-Y28 HydrophobicContact CD1-CE2 4.18Å; L21-Y28 HydrophobicContact CD1-CG 3.76Å; L21-Y28 HydrophobicContact CG-CD1 4.37Å; L21-I75 HydrophobicContact CD1-CD1 4.14Å; L21-I75 HydrophobicContact CD2-CD1 3.85Å; L21-I75 HydrophobicContact CD2-CG1 4.25Å; L21-I75 HydrophobicContact CD2-CG2 4Å; L21-I75 HydrophobicContact CG-CD1 4Å
22E96.5Very high97.2Very high43 Ų4336.1 Ų36.120%0.20120%0.196CC..Hα-helixtrans-67.5-36.9178.1-63.9-78.6173.200112R18 L20 G25 Y28 Y169 R174R18-E22 WeakPolarHBondContact O-CG 3.37Å; R18-E22 PolarHBondContact O-N 3.37Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 3.37Å; E22-G25 PolarHBondContact O-N 3.47Å; E22-Y28 HydrophobicContact CG-CE1 4.32Å; E22-Y28 PolarHBondContact OE1-OH 3.28Å; E22-Y169 HydrophobicContact CB-CG 4.2Å; E22-Y169 HydrophobicContact CG-CD1 4.26Å; E22-Y169 HydrophobicContact CG-CD2 3.58Å; E22-Y169 HydrophobicContact CG-CE2 4.08Å; E22-Y169 HydrophobicContact CG-CG 3.68Å; E22-Y169 WeakPolarHBondContact OE1-CD2 3.3Å; E22-R174 VanDerWaalsContact CD-NH2 3.33Å; E22-R174 IonicContact OE1-CZ 3.06Å; E22-R174 IonicContact OE1-NE 3.75Å; E22-R174 PolarHBondContact OE1-NE 2.83Å; E22-R174 IonicContact OE1-NH2 3.32Å; E22-R174 PolarHBondContact OE1-NH2 2.91Å; E22-R174 IonicContact OE2-NH2 2.69Å; E22-R174 PolarHBondContact OE2-NH2 2.95Å
23Y95.9Very high97.4Very high89 Ų8936 Ų3635%0.34920%0.195SC..Hα-helixtrans-63.5-40.4173.1170.4-100.6000112.4L19 L20 G25 M81 V148 F153 P165L19-Y23 WeakPolarHBondContact O-CB 3.45Å; L19-Y23 PolarHBondContact O-N 3.16Å; L20-Y23 PolarHBondContact O-N 3.04Å; Y23-G25 VanDerWaalsContact C-N 3.28Å; Y23-G25 PolarHBondContact O-N 3.42Å; Y23-M81 HydrophobicContact CE1-CE 4.44Å; Y23-V148 HydrophobicContact CE1-CB 4.31Å; Y23-V148 HydrophobicContact CE1-CG1 4.21Å; Y23-V148 HydrophobicContact CE2-CG1 4.49Å; Y23-V148 HydrophobicContact CE2-CG2 4.24Å; Y23-F153 VanDerWaalsContact CB-CZ 3.45Å; Y23-F153 HydrophobicContact CD1-CE2 4.01Å; Y23-F153 AromaticContact CD1-CZ 3.69Å; Y23-F153 HydrophobicContact CD1-CZ 3.69Å; Y23-F153 HydrophobicContact CD2-CE1 4.44Å; Y23-F153 AromaticContact CD2-CZ 3.81Å; Y23-F153 HydrophobicContact CD2-CZ 3.81Å; Y23-F153 HydrophobicContact CE1-CZ 4.39Å; Y23-F153 HydrophobicContact CE2-CZ 4.49Å; Y23-F153 HydrophobicContact CG-CE1 4.2Å; Y23-F153 HydrophobicContact CG-CE2 4.12Å; Y23-F153 AromaticContact CG-CZ 3.36Å; Y23-F153 HydrophobicContact CG-CZ 3.36Å; Y23-P165 HydrophobicContact CD2-CB 4.25Å
24L96.5Very high97.4Very high41 Ų4136.8 Ų36.822%0.21520%0.199CC..Hα-helixtrans-78.1-11.8179.9-66172.3000113.3L20 L21 E26 I75 H79 M81L20-L24 HydrophobicContact CD1-CD1 3.79Å; L20-L24 HydrophobicContact CD1-CG 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.05Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.92Å; L21-L24 PolarHBondContact O-N 3.36Å; L24-E26 HydrophobicContact CB-CG 4.04Å; L24-E26 PolarHBondContact O-N 3.44Å; L24-I75 HydrophobicContact CD1-CG2 3.74Å; L24-H79 HydrophobicContact CD1-CB 4.27Å; L24-H79 HydrophobicContact CD2-CB 4.13Å; L24-M81 HydrophobicContact CD2-SD 3.87Å
25G95.5Very high97.3Very high67 Ų6742.7 Ų42.769%0.69122%0.221SC*.THydrogen-bonded Turntrans68.122.7-17400000113.3L21 E22 Y23L21-G25 PolarHBondContact O-N 2.87Å; E22-G25 PolarHBondContact O-N 3.47Å; Y23-G25 VanDerWaalsContact C-N 3.28Å; Y23-G25 PolarHBondContact O-N 3.42Å
26E95.9Very high97.3Very high66 Ų6649.4 Ų49.431%0.30826%0.258SS..  trans-73.5133.6179.4-81.4-66.3159.700110.5L21 L24 Y28 H79L21-E26 HydrophobicContact CD2-CB 3.7Å; L21-E26 HydrophobicContact CD2-CG 4.39Å; L21-E26 PolarHBondContact O-N 3.26Å; L24-E26 HydrophobicContact CB-CG 4.04Å; L24-E26 PolarHBondContact O-N 3.44Å; E26-Y28 WeakPolarHBondContact O-CD1 3.48Å; E26-H79 IonicContact OE1-CE1 2.8Å; E26-H79 PolarHBondContact OE1-CE1 2.89Å; E26-H79 IonicContact OE1-NE2 3.31Å; E26-H79 PolarHBondContact OE1-NE2 3.08Å; E26-H79 VanDerWaalsContact OE1-NE2 3.11Å
27A96.6Very high97.3Very high68 Ų6850.7 Ų50.756%0.56226%0.263SS*.  trans-76.7129.1173.500000109.3A2 P3A2-A27 HydrophobicContact CB-CB 4.37Å; P3-A27 VanDerWaalsContact CD-O 3.3Å; P3-A27 WeakPolarHBondContact CD-O 3.25Å
28Y98.1Very high97.3Very high31 Ų3151.8 Ų51.812%0.12228%0.275CS..  trans-145.8154.4175.568.6-72.3000110.6P3 L5 L21 E22 E26 E30P3-Y28 WeakPolarHBondContact O-CA 2.85Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L5-Y28 HydrophobicContact CD2-CD2 4.3Å; L5-Y28 HydrophobicContact CD2-CE2 4.28Å; L21-Y28 HydrophobicContact CB-CD1 3.86Å; L21-Y28 HydrophobicContact CB-CE1 3.85Å; L21-Y28 HydrophobicContact CB-CG 4.5Å; L21-Y28 HydrophobicContact CD1-CD1 3.99Å; L21-Y28 HydrophobicContact CD1-CD2 3.86Å; L21-Y28 HydrophobicContact CD1-CE1 4.34Å; L21-Y28 HydrophobicContact CD1-CE2 4.18Å; L21-Y28 HydrophobicContact CD1-CG 3.76Å; L21-Y28 HydrophobicContact CG-CD1 4.37Å; E22-Y28 HydrophobicContact CG-CE1 4.32Å; E22-Y28 PolarHBondContact OE1-OH 3.28Å; E26-Y28 WeakPolarHBondContact O-CD1 3.48Å; Y28-E30 HydrophobicContact CD2-CG 3.89Å; Y28-E30 HydrophobicContact CE2-CG 3.53Å
29E98Very high97.3Very high97 Ų9756.2 Ų56.245%0.45330%0.299SS..EExtended strand (participates in β ladder)trans-109.5135.2171.8-72.4176.6-174.300109.6A2 P3 K4 L5A2-E29 HydrophobicContact CB-CG 4.25Å; P3-E29 PolarHBondContact O-N 3.08Å; K4-E29 CarbonylContact C-O 3.54Å; K4-E29 WeakPolarHBondContact CA-O 3.38Å; K4-E29 WeakPolarHBondContact CE-OE2 3.37Å; K4-E29 HydrophobicContact CG-CB 4.37Å; L5-E29 PolarHBondContact N-O 2.71Å
30E98Very high97.4Very high48 Ų4858.6 Ų58.622%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-96.8127.2173.2-65-16588.500111.9L5 R18 Y28 L32L5-E30 CarbonylContact O-C 3.41Å; L5-E30 VanDerWaalsContact O-CA 3.28Å; L5-E30 WeakPolarHBondContact O-CA 3.08Å; R18-E30 IonicContact CZ-OE1 2.77Å; R18-E30 IonicContact NE-OE1 2.78Å; R18-E30 PolarHBondContact NE-OE1 2.93Å; R18-E30 IonicContact NE-OE2 3.69Å; R18-E30 IonicContact NH2-OE1 3.28Å; R18-E30 PolarHBondContact NH2-OE1 3.34Å; Y28-E30 HydrophobicContact CD2-CG 3.89Å; Y28-E30 HydrophobicContact CE2-CG 3.53Å; E30-L32 HydrophobicContact CB-CD1 4.4Å; E30-L32 HydrophobicContact CB-CD2 4.06Å; E30-L32 HydrophobicContact CB-CG 3.86Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.08Å
31R97.9Very high97.4Very high91 Ų9159.6 Ų59.634%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-94.490.9161.4177.255.4170.6151.2-5.5107.7L5 G6 Y7 Y33 E44 Y57L5-R31 PolarHBondContact O-N 2.7Å; G6-R31 WeakPolarHBondContact CA-O 3.17Å; Y7-R31 PolarHBondContact N-O 3.45Å; Y7-R31 VanDerWaalsContact N-O 3.13Å; R31-Y33 HydrophobicContact CG-CE2 4.02Å; R31-E44 IonicContact CZ-OE1 3.74Å; R31-E44 IonicContact NE-OE1 3.86Å; R31-E44 IonicContact NE-OE2 3.62Å; R31-E44 IonicContact NH2-OE1 2.85Å; R31-E44 PolarHBondContact NH2-OE1 2.78Å; R31-E44 IonicContact NH2-OE2 2.99Å; R31-Y57 VanDerWaalsContact CB-OH 3.3Å; R31-Y57 WeakPolarHBondContact CB-OH 3.37Å; R31-Y57 WeakPolarHBondContact CG-OH 3.48Å
32L98.5Very high97.4Very high42 Ų4267 Ų6722%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-84.9131.7178-61.8174.1000110.2Y7 K9 E30 I176Y7-L32 WeakPolarHBondContact O-CA 3.32Å; K9-L32 HydrophobicContact CB-CB 4.27Å; K9-L32 HydrophobicContact CD-CD1 4.49Å; K9-L32 HydrophobicContact CG-CD1 4.15Å; E30-L32 HydrophobicContact CB-CD1 4.4Å; E30-L32 HydrophobicContact CB-CD2 4.06Å; E30-L32 HydrophobicContact CB-CG 3.86Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.08Å; L32-I176 HydrophobicContact CD1-CD1 4.27Å; L32-I176 HydrophobicContact CD2-CD1 4.18Å
33Y98.5Very high97.5Very high0 Ų069.8 Ų69.80%036%0.361CS..EExtended strand (participates in β ladder)trans-101.1122.2169.5-60.1-85.9000108.6Y7 W8 K9 R31 D37 V40 W41 E44 L55 Y57Y7-Y33 PolarHBondContact O-N 2.77Å; W8-Y33 WeakPolarHBondContact CA-O 3.49Å; W8-Y33 HydrophobicContact CE3-CG 4.42Å; W8-Y33 HydrophobicContact CZ3-CG 4.25Å; K9-Y33 PolarHBondContact N-O 3.23Å; R31-Y33 HydrophobicContact CG-CE2 4.02Å; Y33-D37 HydrophobicContact CD1-CB 4.3Å; Y33-V40 HydrophobicContact CD1-CG1 4.37Å; Y33-V40 HydrophobicContact CE1-CG1 4.23Å; Y33-W41 HydrophobicContact CD1-CB 3.9Å; Y33-W41 HydrophobicContact CE1-CB 3.98Å; Y33-W41 HydrophobicContact CE1-CE3 4.33Å; Y33-W41 HydrophobicContact CE2-CE3 4.11Å; Y33-W41 HydrophobicContact CG-CB 4.34Å; Y33-W41 AromaticContact CZ-CE3 3.78Å; Y33-E44 WeakPolarHBondContact CE1-OE2 3.19Å; Y33-E44 PolarHBondContact OH-OE2 3.35Å; Y33-L55 HydrophobicContact CD2-CD1 4.19Å; Y33-L55 HydrophobicContact CD2-CD2 4.06Å; Y33-L55 HydrophobicContact CE2-CD2 3.77Å; Y33-Y57 AromaticContact CE2-CE1 3.95Å; Y33-Y57 HydrophobicContact CE2-CE1 3.95Å; Y33-Y57 PolarHBondContact OH-OH 3.48Å
34D97.9Very high97.5Very high73 Ų7368.1 Ų68.139%0.3936%0.357SS..PPolyproline II helixtrans-76.2172.6177.7-79.9-53000111.6K9 N36 D37K9-D34 WeakPolarHBondContact CD-OD1 3.25Å; K9-D34 IonicContact NZ-OD1 3.16Å; D34-N36 PolarHBondContact O-N 3.2Å; D34-D37 PolarHBondContact N-OD2 3.13Å; D34-D37 WeakPolarHBondContact O-CB 3.46Å; D34-D37 PolarHBondContact O-N 2.81Å
35R96.8Very high97.6Very high123 Ų12368.9 Ų68.946%0.46436%0.358SS..THydrogen-bonded Turntrans-51.2-35.7-176.6-176.1174.9176.2174.9-4.9114.3W183 D191R35-W183 HydrophobicContact CB-CD2 3.66Å; R35-W183 HydrophobicContact CB-CE3 3.89Å; R35-W183 HydrophobicContact CB-CG 4.09Å; R35-W183 HydrophobicContact CB-CH2 4.3Å; R35-W183 HydrophobicContact CB-CZ2 4.1Å; R35-W183 HydrophobicContact CB-CZ3 4.21Å; R35-W183 HydrophobicContact CG-CB 4.03Å; R35-W183 HydrophobicContact CG-CD2 3.78Å; R35-W183 HydrophobicContact CG-CE3 4.01Å; R35-W183 HydrophobicContact CG-CG 3.79Å; R35-D191 IonicContact CZ-OD1 3.61Å; R35-D191 IonicContact NH1-OD1 3.8Å; R35-D191 PolarHBondContact NH1-OD1 3.43Å; R35-D191 IonicContact NH1-OD2 3.3Å; R35-D191 PolarHBondContact NH1-OD2 2.98Å
36N96.9Very high97.7Very high144 Ų14473.3 Ų73.377%0.7736%0.359SS*.THydrogen-bonded Turntrans-97.82.3-176.7-61.9-30.3000113.1D34 G38D34-N36 PolarHBondContact O-N 3.2Å; N36-G38 PolarHBondContact O-N 3.3Å
37D98.1Very high97.8Very high39 Ų3978.1 Ų78.121%0.20938%0.379CS..THydrogen-bonded Turntrans-85.319.8-177.7-72.5-17.9000113.3Y33 D34 D39 V40 W41Y33-D37 HydrophobicContact CD1-CB 4.3Å; D34-D37 PolarHBondContact N-OD2 3.13Å; D34-D37 WeakPolarHBondContact O-CB 3.46Å; D34-D37 PolarHBondContact O-N 2.81Å; D37-D39 VanDerWaalsContact C-N 3.27Å; D37-D39 PolarHBondContact O-N 3.14Å; D37-V40 HydrophobicContact CB-CB 4.02Å; D37-V40 HydrophobicContact CB-CG2 4.12Å; D37-V40 WeakPolarHBondContact O-CB 3.21Å; D37-V40 PolarHBondContact O-N 3.16Å; D37-V40 VanDerWaalsContact O-N 3.09Å; D37-W41 PolarHBondContact O-N 3.41Å
38G97.1Very high97.8Very high25 Ų2577 Ų7726%0.25836%0.363SS..Hα-helixtrans-53.4-44.3177.300000112.6N36 R42N36-G38 PolarHBondContact O-N 3.3Å; G38-R42 VanDerWaalsContact O-CG 3.31Å; G38-R42 WeakPolarHBondContact O-CG 3.18Å; G38-R42 PolarHBondContact O-N 2.78Å
39D97.8Very high97.8Very high93 Ų9377.7 Ų77.750%0.49738%0.38SS..Hα-helixtrans-71.7-35.6176.4-75.8-39.9000113.4D37 R42 N43D37-D39 VanDerWaalsContact C-N 3.27Å; D37-D39 PolarHBondContact O-N 3.14Å; D39-R42 PolarHBondContact O-N 3.09Å; D39-R42 IonicContact OD1-CZ 3.31Å; D39-R42 IonicContact OD1-NE 3Å; D39-R42 PolarHBondContact OD1-NE 3.38Å; D39-R42 IonicContact OD1-NH2 4Å; D39-R42 PolarHBondContact OD1-NH2 3.34Å; D39-R42 IonicContact OD2-NH2 3.9Å; D39-N43 VanDerWaalsContact O-CB 3.31Å; D39-N43 WeakPolarHBondContact O-CB 3.46Å; D39-N43 PolarHBondContact O-N 3.01Å; D39-N43 PolarHBondContact O-ND2 3.16Å; D39-N43 VanDerWaalsContact O-ND2 3.1Å
40V98.3Very high97.8Very high49 Ų4973.8 Ų73.830%0.29736%0.362SS..Hα-helixtrans-59.9-50.3175.4-177.70000109.7Y33 D37 N43 E44Y33-V40 HydrophobicContact CD1-CG1 4.37Å; Y33-V40 HydrophobicContact CE1-CG1 4.23Å; D37-V40 HydrophobicContact CB-CB 4.02Å; D37-V40 HydrophobicContact CB-CG2 4.12Å; D37-V40 WeakPolarHBondContact O-CB 3.21Å; D37-V40 PolarHBondContact O-N 3.16Å; D37-V40 VanDerWaalsContact O-N 3.09Å; V40-N43 PolarHBondContact O-N 3.28Å; V40-E44 WeakPolarHBondContact O-CG 3.27Å; V40-E44 PolarHBondContact O-N 3.19Å; V40-E44 VanDerWaalsContact O-N 3.09Å
41W98.3Very high97.8Very high21 Ų2178.2 Ų78.28%0.0839%0.387CS..Hα-helixtrans-59.7-48.8175.4166.9-127.8000112W8 Y33 D37 N43 E44 K45 L48 L55 Y57W8-W41 HydrophobicContact CH2-CB 3.8Å; W8-W41 AromaticContact CH2-CD1 3.9Å; W8-W41 HydrophobicContact CH2-CG 4.11Å; W8-W41 HydrophobicContact CZ2-CB 4.44Å; W8-W41 AromaticContact CZ2-CD1 3.72Å; W8-W41 HydrophobicContact CZ2-CG 4.26Å; W8-W41 HydrophobicContact CZ3-CB 4.49Å; Y33-W41 HydrophobicContact CD1-CB 3.9Å; Y33-W41 HydrophobicContact CE1-CB 3.98Å; Y33-W41 HydrophobicContact CE1-CE3 4.33Å; Y33-W41 HydrophobicContact CE2-CE3 4.11Å; Y33-W41 HydrophobicContact CG-CB 4.34Å; Y33-W41 AromaticContact CZ-CE3 3.78Å; D37-W41 PolarHBondContact O-N 3.41Å; W41-N43 PolarHBondContact O-N 3.12Å; W41-E44 PolarHBondContact O-N 3.38Å; W41-E44 VanDerWaalsContact O-N 3.08Å; W41-K45 HydrophobicContact CD2-CB 4.24Å; W41-K45 HydrophobicContact CE3-CB 4.23Å; W41-K45 HydrophobicContact CH2-CB 3.88Å; W41-K45 HydrophobicContact CH2-CD 4.48Å; W41-K45 HydrophobicContact CH2-CG 3.77Å; W41-K45 HydrophobicContact CZ2-CB 3.86Å; W41-K45 HydrophobicContact CZ2-CD 3.76Å; W41-K45 HydrophobicContact CZ2-CG 3.54Å; W41-K45 HydrophobicContact CZ3-CB 4.07Å; W41-K45 HydrophobicContact CZ3-CG 4.46Å; W41-K45 WeakPolarHBondContact O-CB 3.43Å; W41-K45 PolarHBondContact O-N 3.31Å; W41-L48 HydrophobicContact CZ3-CD1 3.93Å; W41-L55 HydrophobicContact CD2-CD1 3.81Å; W41-L55 HydrophobicContact CD2-CD2 4.39Å; W41-L55 HydrophobicContact CD2-CG 4.03Å; W41-L55 HydrophobicContact CE3-CD1 4.41Å; W41-L55 HydrophobicContact CE3-CD2 4.21Å; W41-L55 HydrophobicContact CE3-CG 4.33Å; W41-L55 HydrophobicContact CG-CD1 3.9Å; W41-L55 HydrophobicContact CH2-CD2 4.2Å; W41-L55 HydrophobicContact CH2-CG 4.11Å; W41-L55 HydrophobicContact CZ2-CD1 4.37Å; W41-L55 HydrophobicContact CZ2-CD2 4.37Å; W41-L55 HydrophobicContact CZ2-CG 3.78Å; W41-L55 HydrophobicContact CZ3-CD2 4.11Å; W41-L55 HydrophobicContact CZ3-CG 4.36Å; W41-Y57 HydrophobicContact CH2-CD1 4.28Å; W41-Y57 HydrophobicContact CZ3-CD1 4.05Å; W41-Y57 AromaticContact CZ3-CE1 3.92Å; W41-Y57 HydrophobicContact CZ3-CE1 3.92Å
42R98.2Very high97.9Very high157 Ų15781.6 Ų81.659%0.59241%0.405SS*.Hα-helixtrans-55.2-38.5178.6-77.5-171.6-76.1-140.11.6112.3G38 D39G38-R42 VanDerWaalsContact O-CG 3.31Å; G38-R42 WeakPolarHBondContact O-CG 3.18Å; G38-R42 PolarHBondContact O-N 2.78Å; D39-R42 PolarHBondContact O-N 3.09Å; D39-R42 IonicContact OD1-CZ 3.31Å; D39-R42 IonicContact OD1-NE 3Å; D39-R42 PolarHBondContact OD1-NE 3.38Å; D39-R42 IonicContact OD1-NH2 4Å; D39-R42 PolarHBondContact OD1-NH2 3.34Å; D39-R42 IonicContact OD2-NH2 3.9Å
43N97.9Very high97.9Very high102 Ų10280.9 Ų80.955%0.54540%0.403SS..Hα-helixtrans-75.4-25.7179.9-72.7-28.1000114D39 V40 W41 K47D39-N43 VanDerWaalsContact O-CB 3.31Å; D39-N43 WeakPolarHBondContact O-CB 3.46Å; D39-N43 PolarHBondContact O-N 3.01Å; D39-N43 PolarHBondContact O-ND2 3.16Å; D39-N43 VanDerWaalsContact O-ND2 3.1Å; V40-N43 PolarHBondContact O-N 3.28Å; W41-N43 PolarHBondContact O-N 3.12Å; N43-K47 VanDerWaalsContact O-CD 3.31Å; N43-K47 WeakPolarHBondContact O-CD 3.39Å; N43-K47 WeakPolarHBondContact O-CE 3.43Å; N43-K47 PolarHBondContact O-NZ 2.84Å
44E97.5Very high97.9Very high53 Ų5384.2 Ų84.225%0.24842%0.42CS..Hα-helixtrans-92.5-29.9178.6-71.6179.7-175.400113.1R31 Y33 V40 W41 F46 K47R31-E44 IonicContact CZ-OE1 3.74Å; R31-E44 IonicContact NE-OE1 3.86Å; R31-E44 IonicContact NE-OE2 3.62Å; R31-E44 IonicContact NH2-OE1 2.85Å; R31-E44 PolarHBondContact NH2-OE1 2.78Å; R31-E44 IonicContact NH2-OE2 2.99Å; Y33-E44 WeakPolarHBondContact CE1-OE2 3.19Å; Y33-E44 PolarHBondContact OH-OE2 3.35Å; V40-E44 WeakPolarHBondContact O-CG 3.27Å; V40-E44 PolarHBondContact O-N 3.19Å; V40-E44 VanDerWaalsContact O-N 3.09Å; W41-E44 PolarHBondContact O-N 3.38Å; W41-E44 VanDerWaalsContact O-N 3.08Å; E44-F46 VanDerWaalsContact C-N 3.31Å; E44-F46 PolarHBondContact O-N 3.28Å; E44-K47 WeakPolarHBondContact O-CB 3.42Å; E44-K47 PolarHBondContact O-N 3.27Å
45K98Very high97.9Very high58 Ų5881.5 Ų81.525%0.25241%0.406SS..THydrogen-bonded Turntrans-42.6-48.6-168.7178.4171.4-175.8177.40114.8W41 P53W41-K45 HydrophobicContact CD2-CB 4.24Å; W41-K45 HydrophobicContact CE3-CB 4.23Å; W41-K45 HydrophobicContact CH2-CB 3.88Å; W41-K45 HydrophobicContact CH2-CD 4.48Å; W41-K45 HydrophobicContact CH2-CG 3.77Å; W41-K45 HydrophobicContact CZ2-CB 3.86Å; W41-K45 HydrophobicContact CZ2-CD 3.76Å; W41-K45 HydrophobicContact CZ2-CG 3.54Å; W41-K45 HydrophobicContact CZ3-CB 4.07Å; W41-K45 HydrophobicContact CZ3-CG 4.46Å; W41-K45 WeakPolarHBondContact O-CB 3.43Å; W41-K45 PolarHBondContact O-N 3.31Å; K45-P53 HydrophobicContact CD-CB 4.35Å; K45-P53 WeakPolarHBondContact CE-O 3.26Å; K45-P53 HydrophobicContact CG-CB 3.56Å; K45-P53 WeakPolarHBondContact O-CB 3.27Å
46F98.1Very high98Very high159 Ų15975.7 Ų75.770%0.69738%0.384SS*.THydrogen-bonded Turntrans-94.76.3-175.6-59.4-75.2000114.1E44 P53E44-F46 VanDerWaalsContact C-N 3.31Å; E44-F46 PolarHBondContact O-N 3.28Å; F46-P53 HydrophobicContact CD1-CB 4.24Å; F46-P53 HydrophobicContact CD1-CG 3.82Å; F46-P53 HydrophobicContact CE1-CB 4.23Å; F46-P53 HydrophobicContact CE1-CG 4.03Å
47K97.8Very high98.1Very high167 Ų16769.2 Ų69.273%0.72635%0.349SS*.THydrogen-bonded Turntrans-106.8-5.7-177.9-59.7177.1-175.4156.10113.5N43 E44 G49N43-K47 VanDerWaalsContact O-CD 3.31Å; N43-K47 WeakPolarHBondContact O-CD 3.39Å; N43-K47 WeakPolarHBondContact O-CE 3.43Å; N43-K47 PolarHBondContact O-NZ 2.84Å; E44-K47 WeakPolarHBondContact O-CB 3.42Å; E44-K47 PolarHBondContact O-N 3.27Å; K47-G49 VanDerWaalsContact C-N 3.34Å
48L97Very high98.1Very high44 Ų4467.4 Ų67.423%0.2334%0.339CS..SBendtrans-84.3-7.2-177.7-65.1171.8000113.7W41 L50 Y57W41-L48 HydrophobicContact CZ3-CD1 3.93Å; L48-L50 HydrophobicContact CB-CD1 4.01Å; L48-L50 HydrophobicContact CB-CG 3.91Å; L48-L50 HydrophobicContact CD1-CD1 4.05Å; L48-Y57 HydrophobicContact CD1-CD1 4.01Å; L48-Y57 HydrophobicContact CD1-CE1 3.62Å; L48-Y57 HydrophobicContact CD1-CE2 4.33Å
49G97.5Very high98.2Very high47 Ų4767.5 Ų67.549%0.48533%0.334SS..  trans67.638.3-17600000113K47 K64K47-G49 VanDerWaalsContact C-N 3.34Å; G49-K64 WeakPolarHBondContact O-CD 3.43Å
50L98.2Very high98.2Very high14 Ų1464.6 Ų64.67%0.07332%0.318CS..  trans-91.3134.2174.7-58.8167.8000109.2L48 P53 Y57 K64 T66L48-L50 HydrophobicContact CB-CD1 4.01Å; L48-L50 HydrophobicContact CB-CG 3.91Å; L48-L50 HydrophobicContact CD1-CD1 4.05Å; L50-P53 HydrophobicContact CB-CB 4.44Å; L50-P53 HydrophobicContact CB-CG 4.18Å; L50-P53 WeakPolarHBondContact O-CD 3.32Å; L50-P53 WeakPolarHBondContact O-CG 3.37Å; L50-Y57 HydrophobicContact CD1-CD1 4.36Å; L50-Y57 HydrophobicContact CD1-CG 4.18Å; L50-K64 HydrophobicContact CD2-CB 4.13Å; L50-T66 HydrophobicContact CB-CG2 4.35Å; L50-T66 HydrophobicContact CD1-CG2 3.95Å; L50-T66 HydrophobicContact CD2-CG2 4.09Å; L50-T66 HydrophobicContact CG-CG2 4.36Å
51D98.2Very high98.1Very high142 Ų14265.1 Ų65.176%0.75933%0.334SS*.SBendtrans-68.9-35.4177.4-64.3-39.3000112.5
52F98.5Very high97.8Very high161 Ų16172 Ų7271%0.70637%0.372SS*.SBendtrans-124.371.5177.3-60.9-84.7000110.9N54 T66F52-N54 PolarHBondContact O-N 3.27Å; F52-N54 VanDerWaalsContact O-N 3.1Å; F52-T66 WeakPolarHBondContact O-CB 3.44Å; F52-T66 VanDerWaalsContact O-CG2 3.23Å; F52-T66 WeakPolarHBondContact O-CG2 3.2Å; F52-T66 PolarHBondContact O-OG1 3.17Å
53P98.5Very high97.8Very high28 Ų2866.8 Ų66.818%0.18236%0.357CS..  trans-53.2116.6-170.5-27.935.3000114.1K45 F46 L50K45-P53 HydrophobicContact CD-CB 4.35Å; K45-P53 WeakPolarHBondContact CE-O 3.26Å; K45-P53 HydrophobicContact CG-CB 3.56Å; K45-P53 WeakPolarHBondContact O-CB 3.27Å; F46-P53 HydrophobicContact CD1-CB 4.24Å; F46-P53 HydrophobicContact CD1-CG 3.82Å; F46-P53 HydrophobicContact CE1-CB 4.23Å; F46-P53 HydrophobicContact CE1-CG 4.03Å; L50-P53 HydrophobicContact CB-CB 4.44Å; L50-P53 HydrophobicContact CB-CG 4.18Å; L50-P53 WeakPolarHBondContact O-CD 3.32Å; L50-P53 WeakPolarHBondContact O-CG 3.37Å
54N98.7Very high97.8Very high69 Ų6966.1 Ų66.137%0.36935%0.35SS..  trans-158.8172.4-176.8-149.8-9.5000112F52 T66F52-N54 PolarHBondContact O-N 3.27Å; F52-N54 VanDerWaalsContact O-N 3.1Å; N54-T66 HydrophobicContact CB-CG2 4.27Å
55L98.7Very high97.9Very high16 Ų1665.9 Ų65.98%0.08435%0.35CS..SBendtrans-114.6132.9167.7-70.7172000109.5Y7 W8 Y33 W41 Y57Y7-L55 HydrophobicContact CD2-CB 3.88Å; Y7-L55 HydrophobicContact CE2-CB 4.15Å; W8-L55 HydrophobicContact CD2-CD1 3.98Å; W8-L55 HydrophobicContact CG-CD1 4.35Å; W8-L55 HydrophobicContact CH2-CD1 4.28Å; W8-L55 HydrophobicContact CZ2-CD1 3.57Å; Y33-L55 HydrophobicContact CD2-CD1 4.19Å; Y33-L55 HydrophobicContact CD2-CD2 4.06Å; Y33-L55 HydrophobicContact CE2-CD2 3.77Å; W41-L55 HydrophobicContact CD2-CD1 3.81Å; W41-L55 HydrophobicContact CD2-CD2 4.39Å; W41-L55 HydrophobicContact CD2-CG 4.03Å; W41-L55 HydrophobicContact CE3-CD1 4.41Å; W41-L55 HydrophobicContact CE3-CD2 4.21Å; W41-L55 HydrophobicContact CE3-CG 4.33Å; W41-L55 HydrophobicContact CG-CD1 3.9Å; W41-L55 HydrophobicContact CH2-CD2 4.2Å; W41-L55 HydrophobicContact CH2-CG 4.11Å; W41-L55 HydrophobicContact CZ2-CD1 4.37Å; W41-L55 HydrophobicContact CZ2-CD2 4.37Å; W41-L55 HydrophobicContact CZ2-CG 3.78Å; W41-L55 HydrophobicContact CZ3-CD2 4.11Å; W41-L55 HydrophobicContact CZ3-CG 4.36Å; L55-Y57 HydrophobicContact CD2-CD1 3.62Å; L55-Y57 HydrophobicContact CD2-CE1 3.78Å
56P98.8Very high97.9Very high2 Ų263.8 Ų63.81%0.01334%0.342CS..SBendcis-73.6157.9-1.630.6-33.4000113.2G6 Y7 V14 T66 I71G6-P56 WeakPolarHBondContact O-CA 3.39Å; G6-P56 WeakPolarHBondContact O-CB 3.5Å; Y7-P56 HydrophobicContact CD2-CB 3.57Å; Y7-P56 HydrophobicContact CD2-CG 4.19Å; Y7-P56 HydrophobicContact CE2-CB 4.18Å; Y7-P56 HydrophobicContact CE2-CG 4.3Å; Y7-P56 HydrophobicContact CG-CB 4.19Å; V14-P56 HydrophobicContact CB-CB 4.34Å; V14-P56 HydrophobicContact CG2-CB 3.93Å; V14-P56 HydrophobicContact CG2-CG 4.3Å; P56-T66 WeakPolarHBondContact O-CA 3.34Å; P56-I71 HydrophobicContact CB-CD1 4.07Å; P56-I71 HydrophobicContact CG-CD1 4.03Å
57Y98.9Very high98Very high7 Ų761.6 Ų61.63%0.02733%0.334CS..EExtended strand (participates in β ladder)trans-122.1156164.666.6-104.8000110.5G6 R31 Y33 W41 L48 L50 L55 I59 L65G6-Y57 VanDerWaalsContact CA-CZ 3.43Å; G6-Y57 PolarHBondContact N-O 2.56Å; G6-Y57 PolarHBondContact O-N 3.5Å; R31-Y57 VanDerWaalsContact CB-OH 3.3Å; R31-Y57 WeakPolarHBondContact CB-OH 3.37Å; R31-Y57 WeakPolarHBondContact CG-OH 3.48Å; Y33-Y57 AromaticContact CE2-CE1 3.95Å; Y33-Y57 HydrophobicContact CE2-CE1 3.95Å; Y33-Y57 PolarHBondContact OH-OH 3.48Å; W41-Y57 HydrophobicContact CH2-CD1 4.28Å; W41-Y57 HydrophobicContact CZ3-CD1 4.05Å; W41-Y57 AromaticContact CZ3-CE1 3.92Å; W41-Y57 HydrophobicContact CZ3-CE1 3.92Å; L48-Y57 HydrophobicContact CD1-CD1 4.01Å; L48-Y57 HydrophobicContact CD1-CE1 3.62Å; L48-Y57 HydrophobicContact CD1-CE2 4.33Å; L50-Y57 HydrophobicContact CD1-CD1 4.36Å; L50-Y57 HydrophobicContact CD1-CG 4.18Å; L55-Y57 HydrophobicContact CD2-CD1 3.62Å; L55-Y57 HydrophobicContact CD2-CE1 3.78Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.18Å; Y57-I59 HydrophobicContact CE2-CD1 4.16Å; Y57-L65 CarbonylContact C-O 3.56Å; Y57-L65 VanDerWaalsContact CA-O 3.22Å; Y57-L65 WeakPolarHBondContact CA-O 3.38Å
58Y98.8Very high98Very high1 Ų154 Ų540%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-138.6127.6176.2-174.9-100.7000110.2P3 K4 L5 D60 L65 I71 Y74 I75P3-Y58 HydrophobicContact CB-CE1 4.08Å; P3-Y58 HydrophobicContact CB-CE2 3.6Å; P3-Y58 WeakPolarHBondContact CB-OH 3.45Å; P3-Y58 VanDerWaalsContact CG-OH 3.25Å; P3-Y58 WeakPolarHBondContact CG-OH 3.49Å; K4-Y58 CarbonylContact O-C 3.57Å; K4-Y58 VanDerWaalsContact O-CA 3.29Å; K4-Y58 WeakPolarHBondContact O-CA 3.27Å; L5-Y58 HydrophobicContact CB-CD2 4.29Å; L5-Y58 HydrophobicContact CD1-CD2 4.05Å; Y58-D60 HydrophobicContact CD1-CB 4.17Å; Y58-D60 HydrophobicContact CE1-CB 3.5Å; Y58-D60 VanDerWaalsContact CE1-CB 3.5Å; Y58-L65 PolarHBondContact N-O 3.44Å; Y58-L65 PolarHBondContact O-N 2.93Å; Y58-I71 HydrophobicContact CD2-CG2 4.13Å; Y58-I71 HydrophobicContact CG-CG2 3.86Å; Y58-Y74 HydrophobicContact CD1-CD1 4.23Å; Y58-Y74 HydrophobicContact CD1-CE1 4.39Å; Y58-Y74 AromaticContact CE1-CD1 3.89Å; Y58-Y74 HydrophobicContact CE1-CD1 3.89Å; Y58-Y74 AromaticContact CE1-CE1 3.78Å; Y58-Y74 HydrophobicContact CE1-CE1 3.78Å; Y58-I75 HydrophobicContact CE2-CD1 4.14Å
59I98.5Very high98.1Very high28 Ų2853.5 Ų53.514%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-122.7112.9-178-61.5170.8000108.9P3 K4 Y57 V63 K64P3-I59 CarbonylContact C-O 3.49Å; P3-I59 VanDerWaalsContact CA-O 3.26Å; P3-I59 WeakPolarHBondContact CA-O 3.46Å; K4-I59 HydrophobicContact CB-CB 4.46Å; K4-I59 PolarHBondContact N-O 2.84Å; K4-I59 PolarHBondContact O-N 3.08Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.18Å; Y57-I59 HydrophobicContact CE2-CD1 4.16Å; I59-V63 WeakPolarHBondContact CA-O 3.4Å; I59-K64 HydrophobicContact CG1-CG 4.31Å; I59-K64 HydrophobicContact CG2-CG 4.27Å
60D97.8Very high98.1Very high32 Ų3253.3 Ų53.317%0.17129%0.293CS..EExtended strand (participates in β ladder)trans-131.493.6179.7-173.92000109.3P3 Y58 D62 V63 Y74 K78P3-D60 HydrophobicContact CB-CB 3.97Å; P3-D60 HydrophobicContact CG-CB 3.99Å; Y58-D60 HydrophobicContact CD1-CB 4.17Å; Y58-D60 HydrophobicContact CE1-CB 3.5Å; Y58-D60 VanDerWaalsContact CE1-CB 3.5Å; D60-D62 PolarHBondContact O-N 3.23Å; D60-D62 VanDerWaalsContact O-N 3.17Å; D60-V63 PolarHBondContact N-O 3.46Å; D60-V63 WeakPolarHBondContact O-CB 3.46Å; D60-V63 PolarHBondContact O-N 3.18Å; D60-Y74 HydrophobicContact CB-CE1 4.41Å; D60-K78 IonicContact OD2-NZ 2.86Å; D60-K78 PolarHBondContact OD2-NZ 3.24Å
61G95.5Very high98.2Very high60 Ų6052.7 Ų52.762%0.61929%0.289SS*.THydrogen-bonded Turntrans58.8-118-171.700000111.7
62D93.4Very high98.2Very high166 Ų16646 Ų4689%0.88825%0.254SS*.THydrogen-bonded Turntrans-82.7-14.2179.1-62.3-34.6000113D60 K64D60-D62 PolarHBondContact O-N 3.23Å; D60-D62 VanDerWaalsContact O-N 3.17Å; D62-K64 PolarHBondContact O-N 3.26Å
63V97.4Very high98.2Very high47 Ų4741.4 Ų41.429%0.28523%0.232SC..EExtended strand (participates in β ladder)trans-82.5115.4178.31780000109.5I59 D60 L65 Y74I59-V63 WeakPolarHBondContact CA-O 3.4Å; D60-V63 PolarHBondContact N-O 3.46Å; D60-V63 WeakPolarHBondContact O-CB 3.46Å; D60-V63 PolarHBondContact O-N 3.18Å; V63-L65 HydrophobicContact CG1-CD1 3.69Å; V63-L65 HydrophobicContact CG1-CD2 4.31Å; V63-L65 HydrophobicContact CG1-CG 3.62Å; V63-Y74 HydrophobicContact CG1-CD2 4.39Å; V63-Y74 HydrophobicContact CG1-CE1 4.22Å; V63-Y74 HydrophobicContact CG1-CE2 3.98Å; V63-Y74 HydrophobicContact CG2-CE2 4.19Å
64K98.5Very high98.2Very high88 Ų8842.9 Ų42.938%0.38323%0.234SC..EExtended strand (participates in β ladder)trans-125.690.2-178.1-63.6-175.6-174.9178.30110.4G49 L50 I59 D62G49-K64 WeakPolarHBondContact O-CD 3.43Å; L50-K64 HydrophobicContact CD2-CB 4.13Å; I59-K64 HydrophobicContact CG1-CG 4.31Å; I59-K64 HydrophobicContact CG2-CG 4.27Å; D62-K64 PolarHBondContact O-N 3.26Å
65L98.8Very high98.2Very high48 Ų4839.6 Ų39.625%0.25122%0.216SC..EExtended strand (participates in β ladder)trans-101.3150.6-172.2-64.6172.9000112Y57 Y58 V63 I71 Y74Y57-L65 CarbonylContact C-O 3.56Å; Y57-L65 VanDerWaalsContact CA-O 3.22Å; Y57-L65 WeakPolarHBondContact CA-O 3.38Å; Y58-L65 PolarHBondContact N-O 3.44Å; Y58-L65 PolarHBondContact O-N 2.93Å; V63-L65 HydrophobicContact CG1-CD1 3.69Å; V63-L65 HydrophobicContact CG1-CD2 4.31Å; V63-L65 HydrophobicContact CG1-CG 3.62Å; L65-I71 HydrophobicContact CB-CG1 3.91Å; L65-Y74 HydrophobicContact CD1-CD1 4.13Å; L65-Y74 HydrophobicContact CD1-CD2 4.16Å; L65-Y74 HydrophobicContact CD1-CG 3.7Å
66T98.9Very high98.2Very high14 Ų1438.9 Ų38.99%0.08621%0.212CC..EExtended strand (participates in β ladder)trans-124.6-174.3158.459.80000107.8L50 F52 N54 P56L50-T66 HydrophobicContact CB-CG2 4.35Å; L50-T66 HydrophobicContact CD1-CG2 3.95Å; L50-T66 HydrophobicContact CD2-CG2 4.09Å; L50-T66 HydrophobicContact CG-CG2 4.36Å; F52-T66 WeakPolarHBondContact O-CB 3.44Å; F52-T66 VanDerWaalsContact O-CG2 3.23Å; F52-T66 WeakPolarHBondContact O-CG2 3.2Å; F52-T66 PolarHBondContact O-OG1 3.17Å; N54-T66 HydrophobicContact CB-CG2 4.27Å; P56-T66 WeakPolarHBondContact O-CA 3.34Å
67Q98.7Very high98.2Very high113 Ų11343.2 Ų43.253%0.52824%0.236SC..SBendtrans69.1112.9-169.9-59.4-70.4-16.300112M69 A70 I71Q67-M69 VanDerWaalsContact C-N 3.26Å; Q67-M69 PolarHBondContact O-N 3.42Å; Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 3.06Å; Q67-I71 WeakPolarHBondContact O-CG1 3.45Å; Q67-I71 PolarHBondContact O-N 3.03Å
68S98.6Very high98.2Very high8 Ų847 Ų476%0.05625%0.252CS..Hα-helixtrans-53-42.3-176500000113I71 L72S68-I71 PolarHBondContact O-N 2.88Å; S68-L72 WeakPolarHBondContact O-CB 3.48Å; S68-L72 PolarHBondContact O-N 3.29Å
69M98.7Very high98.1Very high33 Ų3349.6 Ų49.616%0.16326%0.264CS..Hα-helixtrans-69.3-36.1178.5-68.4-53.5-58.900113.3Q67 I71 L72 R73 E96 L100 M154Q67-M69 VanDerWaalsContact C-N 3.26Å; Q67-M69 PolarHBondContact O-N 3.42Å; M69-I71 VanDerWaalsContact C-N 3.35Å; M69-L72 HydrophobicContact CE-CD2 4.39Å; M69-L72 HydrophobicContact SD-CD2 4.36Å; M69-R73 VanDerWaalsContact O-CB 3.23Å; M69-R73 WeakPolarHBondContact O-CB 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.43Å; M69-R73 PolarHBondContact O-N 3.3Å; M69-E96 HydrophobicContact CE-CB 3.96Å; M69-E96 HydrophobicContact CE-CG 3.71Å; M69-L100 HydrophobicContact CE-CD1 4.47Å; M69-L100 HydrophobicContact CG-CD1 4.01Å; M69-L100 HydrophobicContact SD-CD1 4.1Å; M69-L100 HydrophobicContact SD-CD2 4.11Å; M69-L100 HydrophobicContact SD-CG 4.48Å; M69-M154 HydrophobicContact CE-CE 3.7Å; M69-M154 HydrophobicContact CE-SD 3.78Å; M69-M154 HydrophobicContact SD-CE 3.67Å; M69-M154 HydrophobicContact SD-SD 4.17Å
70A98.8Very high98.1Very high43 Ų4355.3 Ų55.336%0.35530%0.295SS..Hα-helixtrans-66.6-40.9175.900000110.8Q67 Y74Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 3.06Å; A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.5Å; A70-Y74 PolarHBondContact O-N 3.2Å
71I98.9Very high98.1Very high1 Ų154.8 Ų54.81%0.00529%0.292CS..Hα-helixtrans-62.6-50.7175.3-63.9167.7000110.7L5 T17 P56 Y58 L65 Q67 S68 M69 R73 Y74 I75L5-I71 HydrophobicContact CD1-CG2 4.32Å; T17-I71 HydrophobicContact CG2-CG2 3.94Å; P56-I71 HydrophobicContact CB-CD1 4.07Å; P56-I71 HydrophobicContact CG-CD1 4.03Å; Y58-I71 HydrophobicContact CD2-CG2 4.13Å; Y58-I71 HydrophobicContact CG-CG2 3.86Å; L65-I71 HydrophobicContact CB-CG1 3.91Å; Q67-I71 WeakPolarHBondContact O-CG1 3.45Å; Q67-I71 PolarHBondContact O-N 3.03Å; S68-I71 PolarHBondContact O-N 2.88Å; M69-I71 VanDerWaalsContact C-N 3.35Å; I71-R73 PolarHBondContact O-N 2.86Å; I71-Y74 PolarHBondContact O-N 3.39Å; I71-I75 HydrophobicContact CG2-CD1 4.06Å; I71-I75 PolarHBondContact O-N 3.14Å; I71-I75 VanDerWaalsContact O-N 3.11Å
72L98.8Very high98.2Very high2 Ų252.9 Ų52.91%0.0127%0.267CS..Hα-helixtrans-59.8-46.3179.8-176.365.7000111.5P16 L20 S68 M69 I75 A76 H150 M154P16-L72 HydrophobicContact CB-CD1 4.48Å; P16-L72 HydrophobicContact CB-CD2 4.16Å; L20-L72 HydrophobicContact CB-CD1 4.07Å; L20-L72 HydrophobicContact CD2-CD1 3.59Å; L20-L72 HydrophobicContact CD2-CG 4.47Å; L20-L72 HydrophobicContact CG-CD1 4.48Å; S68-L72 WeakPolarHBondContact O-CB 3.48Å; S68-L72 PolarHBondContact O-N 3.29Å; M69-L72 HydrophobicContact CE-CD2 4.39Å; M69-L72 HydrophobicContact SD-CD2 4.36Å; L72-I75 PolarHBondContact O-N 2.83Å; L72-A76 WeakPolarHBondContact O-CB 3.18Å; L72-A76 PolarHBondContact O-N 3.28Å; L72-H150 HydrophobicContact CD1-CB 4.04Å; L72-H150 HydrophobicContact CD2-CB 4.21Å; L72-H150 HydrophobicContact CG-CB 3.94Å; L72-M154 HydrophobicContact CD2-CG 3.67Å; L72-M154 HydrophobicContact CD2-SD 3.68Å
73R98.8Very high98.4Very high64 Ų6445.7 Ų45.724%0.24223%0.232CC..Hα-helixtrans-67.2-36.2178.3-72178.264.7101.92112.5M69 I71 A76 D77 L82 S93 E96M69-R73 VanDerWaalsContact O-CB 3.23Å; M69-R73 WeakPolarHBondContact O-CB 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.43Å; M69-R73 PolarHBondContact O-N 3.3Å; I71-R73 PolarHBondContact O-N 2.86Å; R73-A76 PolarHBondContact O-N 3.39Å; R73-D77 VanDerWaalsContact O-CB 3.3Å; R73-D77 WeakPolarHBondContact O-CB 3.49Å; R73-D77 PolarHBondContact O-N 3.14Å; R73-L82 HydrophobicContact CB-CD2 4.08Å; R73-L82 HydrophobicContact CG-CD2 4.11Å; R73-S93 PolarHBondContact NH1-OG 2.93Å; R73-E96 IonicContact CZ-OE1 2.71Å; R73-E96 IonicContact CZ-OE2 3.65Å; R73-E96 IonicContact NE-OE1 3.69Å; R73-E96 IonicContact NH1-OE1 2.61Å; R73-E96 PolarHBondContact NH1-OE1 2.92Å; R73-E96 IonicContact NH1-OE2 3.8Å; R73-E96 PolarHBondContact NH1-OE2 2.96Å
74Y98.7Very high98.4Very high58 Ų5846.9 Ų46.923%0.22725%0.254CS..Hα-helixtrans-60.9-45.7174.9172.9-103.4000111.7Y58 D60 V63 L65 A70 I71 D77 K78Y58-Y74 HydrophobicContact CD1-CD1 4.23Å; Y58-Y74 HydrophobicContact CD1-CE1 4.39Å; Y58-Y74 AromaticContact CE1-CD1 3.89Å; Y58-Y74 HydrophobicContact CE1-CD1 3.89Å; Y58-Y74 AromaticContact CE1-CE1 3.78Å; Y58-Y74 HydrophobicContact CE1-CE1 3.78Å; D60-Y74 HydrophobicContact CB-CE1 4.41Å; V63-Y74 HydrophobicContact CG1-CD2 4.39Å; V63-Y74 HydrophobicContact CG1-CE1 4.22Å; V63-Y74 HydrophobicContact CG1-CE2 3.98Å; V63-Y74 HydrophobicContact CG2-CE2 4.19Å; L65-Y74 HydrophobicContact CD1-CD1 4.13Å; L65-Y74 HydrophobicContact CD1-CD2 4.16Å; L65-Y74 HydrophobicContact CD1-CG 3.7Å; A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.5Å; A70-Y74 PolarHBondContact O-N 3.2Å; I71-Y74 PolarHBondContact O-N 3.39Å; Y74-D77 PolarHBondContact O-N 2.82Å; Y74-K78 HydrophobicContact CE1-CD 3.98Å; Y74-K78 HydrophobicContact CE1-CG 4.31Å; Y74-K78 HydrophobicContact CE2-CG 4.31Å; Y74-K78 PolarHBondContact O-N 3.3Å
75I98.6Very high98.4Very high1 Ų145.4 Ų45.41%0.00525%0.254CS..Hα-helixtrans-64-45.2175.7-65.5157.5000109.9T17 L20 L21 L24 Y58 I71 L72 D77 K78 H79T17-I75 HydrophobicContact CG2-CD1 3.53Å; L20-I75 HydrophobicContact CD2-CB 4.06Å; L20-I75 HydrophobicContact CD2-CG2 3.68Å; L20-I75 HydrophobicContact CG-CG2 4.04Å; L21-I75 HydrophobicContact CD1-CD1 4.14Å; L21-I75 HydrophobicContact CD2-CD1 3.85Å; L21-I75 HydrophobicContact CD2-CG1 4.25Å; L21-I75 HydrophobicContact CD2-CG2 4Å; L21-I75 HydrophobicContact CG-CD1 4Å; L24-I75 HydrophobicContact CD1-CG2 3.74Å; Y58-I75 HydrophobicContact CE2-CD1 4.14Å; I71-I75 HydrophobicContact CG2-CD1 4.06Å; I71-I75 PolarHBondContact O-N 3.14Å; I71-I75 VanDerWaalsContact O-N 3.11Å; L72-I75 PolarHBondContact O-N 2.83Å; I75-D77 VanDerWaalsContact C-N 3.29Å; I75-D77 PolarHBondContact O-N 3.05Å; I75-K78 PolarHBondContact O-N 2.76Å; I75-H79 PolarHBondContact O-CD2 3.29Å; I75-H79 PolarHBondContact O-N 3.05Å
76A98.7Very high98.4Very high0 Ų047.7 Ų47.70%027%0.272CS..Hα-helixtrans-58.7-40.217500000112.6L20 L72 R73 H79 N80 M81 L82 H150L20-A76 HydrophobicContact CD2-CB 4.31Å; L72-A76 WeakPolarHBondContact O-CB 3.18Å; L72-A76 PolarHBondContact O-N 3.28Å; R73-A76 PolarHBondContact O-N 3.39Å; A76-H79 CarbonylContact O-C 3.54Å; A76-H79 PolarHBondContact O-N 3.33Å; A76-N80 PolarHBondContact O-N 2.88Å; A76-M81 HydrophobicContact CB-CB 4.01Å; A76-M81 WeakPolarHBondContact O-CB 3.47Å; A76-M81 PolarHBondContact O-N 3.23Å; A76-L82 HydrophobicContact CB-CD2 3.82Å; A76-L82 HydrophobicContact CB-CG 4.36Å; A76-H150 HydrophobicContact CB-CB 4.23Å; A76-H150 VanDerWaalsContact CB-ND1 3.34Å; A76-H150 WeakPolarHBondContact CB-ND1 3.43Å
77D98.6Very high98.3Very high93 Ų9354 Ų5450%0.49730%0.298SS..Hα-helixtrans-66.8-44-178.8-157.819.8000112.1R73 Y74 I75 H79 N80 L82R73-D77 VanDerWaalsContact O-CB 3.3Å; R73-D77 WeakPolarHBondContact O-CB 3.49Å; R73-D77 PolarHBondContact O-N 3.14Å; Y74-D77 PolarHBondContact O-N 2.82Å; I75-D77 VanDerWaalsContact C-N 3.29Å; I75-D77 PolarHBondContact O-N 3.05Å; D77-H79 PolarHBondContact O-N 2.69Å; D77-N80 PolarHBondContact O-N 2.98Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.93Å
78K97.9Very high98.3Very high88 Ų8851.7 Ų51.738%0.38329%0.288SS..Hα-helixtrans-55.4-23.8173.7-73.7-153-57.41770113D60 Y74 I75D60-K78 IonicContact OD2-NZ 2.86Å; D60-K78 PolarHBondContact OD2-NZ 3.24Å; Y74-K78 HydrophobicContact CE1-CD 3.98Å; Y74-K78 HydrophobicContact CE1-CG 4.31Å; Y74-K78 HydrophobicContact CE2-CG 4.31Å; Y74-K78 PolarHBondContact O-N 3.3Å; I75-K78 PolarHBondContact O-N 2.76Å
79H97.9Very high98.3Very high54 Ų5456.2 Ų56.225%0.2530%0.303CS..THydrogen-bonded Turntrans-108.316179.9-64.9-105.5000113.2L24 E26 I75 A76 D77 M81L24-H79 HydrophobicContact CD1-CB 4.27Å; L24-H79 HydrophobicContact CD2-CB 4.13Å; E26-H79 IonicContact OE1-CE1 2.8Å; E26-H79 PolarHBondContact OE1-CE1 2.89Å; E26-H79 IonicContact OE1-NE2 3.31Å; E26-H79 PolarHBondContact OE1-NE2 3.08Å; E26-H79 VanDerWaalsContact OE1-NE2 3.11Å; I75-H79 PolarHBondContact O-CD2 3.29Å; I75-H79 PolarHBondContact O-N 3.05Å; A76-H79 CarbonylContact O-C 3.54Å; A76-H79 PolarHBondContact O-N 3.33Å; D77-H79 PolarHBondContact O-N 2.69Å; H79-M81 VanDerWaalsContact C-N 3.27Å; H79-M81 HydrophobicContact CB-CG 4.08Å; H79-M81 HydrophobicContact CB-SD 4.09Å; H79-M81 WeakPolarHBondContact O-CG 3.23Å; H79-M81 PolarHBondContact O-N 2.88Å
80N97.6Very high98.3Very high148 Ų14857.4 Ų57.479%0.79132%0.319SS*.THydrogen-bonded Turntrans57.733.3179.2-57.9-70.9000114.2A76 D77A76-N80 PolarHBondContact O-N 2.88Å; D77-N80 PolarHBondContact O-N 2.98Å
81M98.2Very high98.3Very high22 Ų2257.8 Ų57.811%0.10831%0.313CS..  trans-99.82.9-176.3-58.717870.400113.9L20 Y23 L24 A76 H79 V148L20-M81 HydrophobicContact CD1-CE 4.08Å; L20-M81 HydrophobicContact CD1-SD 4.07Å; Y23-M81 HydrophobicContact CE1-CE 4.44Å; L24-M81 HydrophobicContact CD2-SD 3.87Å; A76-M81 HydrophobicContact CB-CB 4.01Å; A76-M81 WeakPolarHBondContact O-CB 3.47Å; A76-M81 PolarHBondContact O-N 3.23Å; H79-M81 VanDerWaalsContact C-N 3.27Å; H79-M81 HydrophobicContact CB-CG 4.08Å; H79-M81 HydrophobicContact CB-SD 4.09Å; H79-M81 WeakPolarHBondContact O-CG 3.23Å; H79-M81 PolarHBondContact O-N 2.88Å; M81-V148 WeakPolarHBondContact CE-O 3.47Å
82L98.1Very high98.2Very high19 Ų1957.8 Ų57.810%0.09931%0.313CS..SBendtrans-82.9-11.8178.2-70.8-167.8000114.3R73 A76 D77 R89 I92R73-L82 HydrophobicContact CB-CD2 4.08Å; R73-L82 HydrophobicContact CG-CD2 4.11Å; A76-L82 HydrophobicContact CB-CD2 3.82Å; A76-L82 HydrophobicContact CB-CG 4.36Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.93Å; L82-R89 WeakPolarHBondContact O-CA 3.24Å; L82-R89 WeakPolarHBondContact O-CG 3.48Å; L82-I92 VanDerWaalsContact C-CD1 3.48Å; L82-I92 VanDerWaalsContact O-CD1 3.29Å; L82-I92 WeakPolarHBondContact O-CD1 3.31Å
83G97.3Very high98.2Very high15 Ų1559.8 Ų59.816%0.15533%0.327CS..  trans108.8137.5-179.800000113.8C85 E88 R89G83-C85 PolarHBondContact O-N 3.49Å; G83-E88 WeakPolarHBondContact CA-OE2 3.31Å; G83-R89 WeakPolarHBondContact O-CG 3.32Å; G83-R89 PolarHBondContact O-NH1 3.02Å
84G97.1Very high98.2Very high72 Ų7262.5 Ų62.574%0.74234%0.344SS*.SBendtrans-79.2-15.1-171.800000114.9E88G84-E88 PolarHBondContact N-OE2 3.16Å
85C98.2Very high98.2Very high57 Ų5760.4 Ų60.439%0.38534%0.337SS..SBendtrans-141.1166.2179.471.30000112.4G83 K87 E88 R89G83-C85 PolarHBondContact O-N 3.49Å; C85-K87 VanDerWaalsContact C-N 3.26Å; C85-K87 PolarHBondContact O-N 3.3Å; C85-E88 PolarHBondContact O-N 3.01Å; C85-R89 PolarHBondContact O-N 3.4Å
86P98.5Very high98.2Very high96 Ų9661 Ų6162%0.62334%0.34SS*.Hα-helixtrans-55-39179.9-27.635.5000114A90P86-A90 WeakPolarHBondContact O-CB 3.46Å; P86-A90 PolarHBondContact O-N 2.77Å
87K98.4Very high98.1Very high146 Ų14662.6 Ų62.664%0.63536%0.356SS*.Hα-helixtrans-63.1-50.7178.4-179.2-180172.8-176.10111.4C85 R89 A90 E91C85-K87 VanDerWaalsContact C-N 3.26Å; C85-K87 PolarHBondContact O-N 3.3Å; K87-R89 PolarHBondContact O-N 3.24Å; K87-A90 WeakPolarHBondContact O-CB 3.41Å; K87-A90 PolarHBondContact O-N 2.97Å; K87-A90 VanDerWaalsContact O-N 3.15Å; K87-E91 WeakPolarHBondContact CE-OE1 3.3Å; K87-E91 IonicContact NZ-OE1 3.93Å; K87-E91 PolarHBondContact O-N 3.19Å
88E98Very high98.1Very high66 Ų6659.5 Ų59.531%0.30834%0.343SS..Hα-helixtrans-64.5-40.2-179.5-170.7177.5-156.500111.9G83 G84 C85 A90 E91 I92 N144G83-E88 WeakPolarHBondContact CA-OE2 3.31Å; G84-E88 PolarHBondContact N-OE2 3.16Å; C85-E88 PolarHBondContact O-N 3.01Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3.26Å; E88-E91 PolarHBondContact O-N 3.27Å; E88-I92 HydrophobicContact CG-CD1 4.15Å; E88-I92 WeakPolarHBondContact O-CG1 3.24Å; E88-I92 PolarHBondContact O-N 3.09Å; E88-N144 PolarHBondContact OE1-ND2 3.22Å
89R98.6Very high98.1Very high102 Ų10255.4 Ų55.439%0.38533%0.325SS..Hα-helixtrans-58.8-39.8172.9-75.4-170.6-71-87.110.5112.3L82 G83 C85 K87 S93L82-R89 WeakPolarHBondContact O-CA 3.24Å; L82-R89 WeakPolarHBondContact O-CG 3.48Å; G83-R89 WeakPolarHBondContact O-CG 3.32Å; G83-R89 PolarHBondContact O-NH1 3.02Å; C85-R89 PolarHBondContact O-N 3.4Å; K87-R89 PolarHBondContact O-N 3.24Å; R89-S93 WeakPolarHBondContact O-CB 3.44Å; R89-S93 PolarHBondContact O-N 3.21Å; R89-S93 PolarHBondContact O-OG 3.41Å
90A98.6Very high98Very high59 Ų5954.4 Ų54.449%0.48832%0.322SS..Hα-helixtrans-69.4-41.2177.600000111.6P86 K87 E88 S93 M94P86-A90 WeakPolarHBondContact O-CB 3.46Å; P86-A90 PolarHBondContact O-N 2.77Å; K87-A90 WeakPolarHBondContact O-CB 3.41Å; K87-A90 PolarHBondContact O-N 2.97Å; K87-A90 VanDerWaalsContact O-N 3.15Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3.26Å; A90-S93 PolarHBondContact O-N 2.83Å; A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 PolarHBondContact O-N 2.77Å
91E98Very high97.8Very high51 Ų5152.6 Ų52.624%0.23831%0.312CS..Hα-helixtrans-62-46.2175-72.3-173.4-157.400111.9K87 E88 S93 M94 L95 R136K87-E91 WeakPolarHBondContact CE-OE1 3.3Å; K87-E91 IonicContact NZ-OE1 3.93Å; K87-E91 PolarHBondContact O-N 3.19Å; E88-E91 PolarHBondContact O-N 3.27Å; E91-S93 VanDerWaalsContact C-N 3.33Å; E91-S93 PolarHBondContact O-N 3.45Å; E91-M94 WeakPolarHBondContact O-CB 3.47Å; E91-M94 PolarHBondContact O-N 3.4Å; E91-L95 WeakPolarHBondContact O-CG 3.49Å; E91-L95 PolarHBondContact O-N 3.01Å; E91-R136 IonicContact OE2-NH2 2.62Å; E91-R136 PolarHBondContact OE2-NH2 2.97Å
92I98.5Very high97.6Very high1 Ų151.9 Ų51.91%0.00531%0.309CS..Hα-helixtrans-59.7-43.9175.3-73166.1000111L82 E88 M94 L95 E96 T149 P151L82-I92 VanDerWaalsContact C-CD1 3.48Å; L82-I92 VanDerWaalsContact O-CD1 3.29Å; L82-I92 WeakPolarHBondContact O-CD1 3.31Å; E88-I92 HydrophobicContact CG-CD1 4.15Å; E88-I92 WeakPolarHBondContact O-CG1 3.24Å; E88-I92 PolarHBondContact O-N 3.09Å; I92-M94 VanDerWaalsContact C-N 3.32Å; I92-M94 PolarHBondContact O-N 3.2Å; I92-L95 WeakPolarHBondContact O-CB 3.38Å; I92-L95 PolarHBondContact O-N 3.32Å; I92-E96 WeakPolarHBondContact O-CG 3.06Å; I92-E96 PolarHBondContact O-N 3.13Å; I92-T149 HydrophobicContact CD1-CG2 4.25Å; I92-P151 HydrophobicContact CG2-CG 4.07Å
93S98.7Very high97.3Very high44 Ų4452.3 Ų52.331%0.30831%0.309SS..Hα-helixtrans-68.7-30.4179-51.20000112.7R73 R89 A90 E91 E96 G97R73-S93 PolarHBondContact NH1-OG 2.93Å; R89-S93 WeakPolarHBondContact O-CB 3.44Å; R89-S93 PolarHBondContact O-N 3.21Å; R89-S93 PolarHBondContact O-OG 3.41Å; A90-S93 PolarHBondContact O-N 2.83Å; E91-S93 VanDerWaalsContact C-N 3.33Å; E91-S93 PolarHBondContact O-N 3.45Å; S93-E96 WeakPolarHBondContact O-CB 3.25Å; S93-G97 PolarHBondContact O-N 2.91Å; S93-G97 VanDerWaalsContact O-N 3.1Å
94M98.4Very high97.1Very high121 Ų12156.3 Ų56.360%0.59632%0.32SS*.Hα-helixtrans-67.9-42.1172.6-179.5175.965.200111.4A90 E91 I92 G97 A98A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 PolarHBondContact O-N 2.77Å; E91-M94 WeakPolarHBondContact O-CB 3.47Å; E91-M94 PolarHBondContact O-N 3.4Å; I92-M94 VanDerWaalsContact C-N 3.32Å; I92-M94 PolarHBondContact O-N 3.2Å; M94-G97 PolarHBondContact O-N 3.42Å; M94-A98 PolarHBondContact O-N 3.18Å
95L98.1Very high96.9Very high13 Ų1353.7 Ų53.77%0.06829%0.293CS..Hα-helixtrans-60.8-44.7173.5-68.3167.6000111.2E91 I92 G97 A98 I99 L143 N144 P151E91-L95 WeakPolarHBondContact O-CG 3.49Å; E91-L95 PolarHBondContact O-N 3.01Å; I92-L95 WeakPolarHBondContact O-CB 3.38Å; I92-L95 PolarHBondContact O-N 3.32Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.31Å; L95-A98 PolarHBondContact O-N 2.74Å; L95-I99 VanDerWaalsContact O-CD1 3.32Å; L95-I99 WeakPolarHBondContact O-CD1 3.47Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 2.96Å; L95-I99 VanDerWaalsContact O-N 3.09Å; L95-L143 HydrophobicContact CD1-CB 3.92Å; L95-L143 HydrophobicContact CD2-CB 4.28Å; L95-L143 HydrophobicContact CD2-CD2 4.47Å; L95-N144 HydrophobicContact CD1-CB 4.49Å; L95-P151 HydrophobicContact CB-CB 4Å; L95-P151 HydrophobicContact CB-CG 4.17Å
96E98.4Very high96.5Very high15 Ų1552.5 Ų52.57%0.0728%0.284CS..Hα-helixtrans-53.2-52.2173.4-69.9169.3-169.300111.3M69 R73 I92 S93 A98 I99 L100 H150 P151 M154M69-E96 HydrophobicContact CE-CB 3.96Å; M69-E96 HydrophobicContact CE-CG 3.71Å; R73-E96 IonicContact CZ-OE1 2.71Å; R73-E96 IonicContact CZ-OE2 3.65Å; R73-E96 IonicContact NE-OE1 3.69Å; R73-E96 IonicContact NH1-OE1 2.61Å; R73-E96 PolarHBondContact NH1-OE1 2.92Å; R73-E96 IonicContact NH1-OE2 3.8Å; R73-E96 PolarHBondContact NH1-OE2 2.96Å; I92-E96 WeakPolarHBondContact O-CG 3.06Å; I92-E96 PolarHBondContact O-N 3.13Å; S93-E96 WeakPolarHBondContact O-CB 3.25Å; E96-A98 PolarHBondContact O-N 3.31Å; E96-I99 PolarHBondContact O-N 2.94Å; E96-L100 WeakPolarHBondContact O-CB 3.4Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.5Å; E96-L100 PolarHBondContact O-N 3.29Å; E96-H150 IonicContact OE1-CD2 3.05Å; E96-H150 IonicContact OE1-CE1 3.11Å; E96-H150 PolarHBondContact OE1-CE1 2.97Å; E96-H150 VanDerWaalsContact OE1-CE1 3.3Å; E96-H150 IonicContact OE1-NE2 2.71Å; E96-H150 PolarHBondContact OE1-NE2 3.26Å; E96-P151 HydrophobicContact CG-CG 4.13Å; E96-M154 HydrophobicContact CB-CE 4.24Å; E96-M154 HydrophobicContact CB-SD 4.5Å; E96-M154 HydrophobicContact CG-CE 4.47Å; E96-M154 HydrophobicContact CG-SD 4.1Å
97G97.9Very high96.2Very high32 Ų3249 Ų4933%0.3326%0.262SS..Hα-helixtrans-58.1-49.3-179.200000112.6S93 M94 L95 I99 L100 D101S93-G97 PolarHBondContact O-N 2.91Å; S93-G97 VanDerWaalsContact O-N 3.1Å; M94-G97 PolarHBondContact O-N 3.42Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.31Å; G97-I99 VanDerWaalsContact C-N 3.28Å; G97-I99 PolarHBondContact O-N 2.99Å; G97-L100 WeakPolarHBondContact O-CB 3.29Å; G97-L100 PolarHBondContact O-N 3.01Å; G97-L100 VanDerWaalsContact O-N 3.13Å; G97-D101 PolarHBondContact O-N 3.48Å
98A97.4Very high95.9Very high28 Ų2852.6 Ų52.623%0.23127%0.271CS..Hα-helixtrans-61-36.3-179.700000112.7M94 L95 E96 F133M94-A98 PolarHBondContact O-N 3.18Å; L95-A98 PolarHBondContact O-N 2.74Å; E96-A98 PolarHBondContact O-N 3.31Å; A98-F133 HydrophobicContact CB-CE1 4.41Å; A98-F133 HydrophobicContact CB-CE2 4.49Å; A98-F133 HydrophobicContact CB-CZ 3.72Å
99I97.3Very high95.7Very high2 Ų250.4 Ų50.41%0.0126%0.261CS..Hα-helixtrans-74-37.3177.7-62.3161000110.6L95 E96 G97 D101 I102 R103 F133 L143 P151 M154 L155 A158L95-I99 VanDerWaalsContact O-CD1 3.32Å; L95-I99 WeakPolarHBondContact O-CD1 3.47Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 2.96Å; L95-I99 VanDerWaalsContact O-N 3.09Å; E96-I99 PolarHBondContact O-N 2.94Å; G97-I99 VanDerWaalsContact C-N 3.28Å; G97-I99 PolarHBondContact O-N 2.99Å; I99-D101 VanDerWaalsContact C-N 3.27Å; I99-D101 PolarHBondContact O-N 3.39Å; I99-I102 PolarHBondContact O-N 3.01Å; I99-R103 PolarHBondContact O-N 3.43Å; I99-F133 HydrophobicContact CB-CZ 4.37Å; I99-F133 HydrophobicContact CD1-CE1 4.21Å; I99-F133 HydrophobicContact CG1-CE1 3.49Å; I99-F133 VanDerWaalsContact CG1-CE1 3.49Å; I99-F133 HydrophobicContact CG1-CZ 3.47Å; I99-F133 VanDerWaalsContact CG1-CZ 3.47Å; I99-L143 HydrophobicContact CD1-CD1 3.82Å; I99-P151 HydrophobicContact CD1-CB 3.76Å; I99-P151 VanDerWaalsContact CD1-O 3.27Å; I99-P151 WeakPolarHBondContact CD1-O 3.2Å; I99-M154 HydrophobicContact CB-CB 4.43Å; I99-M154 HydrophobicContact CB-CE 4.37Å; I99-M154 HydrophobicContact CD1-CB 4.1Å; I99-M154 HydrophobicContact CG2-CB 3.69Å; I99-M154 HydrophobicContact CG2-CE 4.38Å; I99-L155 HydrophobicContact CD1-CB 3.95Å; I99-L155 HydrophobicContact CG1-CB 4.24Å; I99-L155 HydrophobicContact CG1-CD1 4.41Å; I99-A158 HydrophobicContact CG2-CB 4.39Å
100L96.3Very high95.5Very high34 Ų3445.5 Ų45.518%0.17824%0.243CC..Hα-helixtrans-63.5-33.1175.8-72.1175.7000112M69 E96 G97 I102 R103 Y104 M154M69-L100 HydrophobicContact CE-CD1 4.47Å; M69-L100 HydrophobicContact CG-CD1 4.01Å; M69-L100 HydrophobicContact SD-CD1 4.1Å; M69-L100 HydrophobicContact SD-CD2 4.11Å; M69-L100 HydrophobicContact SD-CG 4.48Å; E96-L100 WeakPolarHBondContact O-CB 3.4Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.5Å; E96-L100 PolarHBondContact O-N 3.29Å; G97-L100 WeakPolarHBondContact O-CB 3.29Å; G97-L100 PolarHBondContact O-N 3.01Å; G97-L100 VanDerWaalsContact O-N 3.13Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 2.97Å; L100-R103 PolarHBondContact O-N 3.09Å; L100-Y104 HydrophobicContact CB-CD2 3.96Å; L100-Y104 HydrophobicContact CB-CE2 3.91Å; L100-Y104 HydrophobicContact CD1-CE2 4.16Å; L100-Y104 HydrophobicContact CD2-CD2 4.44Å; L100-Y104 HydrophobicContact CD2-CE1 4.25Å; L100-Y104 HydrophobicContact CD2-CE2 3.84Å; L100-Y104 HydrophobicContact CG-CE2 4.18Å; L100-Y104 WeakPolarHBondContact O-CA 3.37Å; L100-Y104 WeakPolarHBondContact O-CB 3.43Å; L100-Y104 WeakPolarHBondContact O-CD2 3.29Å; L100-Y104 PolarHBondContact O-N 3.3Å; L100-M154 HydrophobicContact CD1-CE 4.5Å; L100-M154 HydrophobicContact CD2-CE 3.89Å; L100-M154 HydrophobicContact CG-CE 3.83Å
101D94.7Very high95.3Very high110 Ų11047.9 Ų47.959%0.58824%0.24SC*.Hα-helixtrans-59.8-40.5173.8-73.8-27.8000112G97 I99 G105G97-D101 PolarHBondContact O-N 3.48Å; I99-D101 VanDerWaalsContact C-N 3.27Å; I99-D101 PolarHBondContact O-N 3.39Å; D101-G105 WeakPolarHBondContact O-CA 3.41Å; D101-G105 PolarHBondContact O-N 2.86Å
102I92.9Very high95.1Very high7 Ų748.5 Ų48.54%0.03625%0.245CC..Hα-helixtrans-67.5-54173.8-60.6176.5000110.1I99 L100 Y104 G105 V106 F122 L126 M129 L130 F133 A158I99-I102 PolarHBondContact O-N 3.01Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 2.97Å; I102-Y104 PolarHBondContact O-N 2.8Å; I102-G105 PolarHBondContact O-N 2.91Å; I102-V106 PolarHBondContact O-N 3Å; I102-V106 VanDerWaalsContact O-N 3.09Å; I102-F122 HydrophobicContact CG2-CZ 4.46Å; I102-L126 HydrophobicContact CG2-CD1 4.19Å; I102-M129 HydrophobicContact CD1-CB 4.17Å; I102-M129 HydrophobicContact CG1-CB 4.05Å; I102-M129 HydrophobicContact CG1-SD 3.98Å; I102-L130 HydrophobicContact CD1-CD2 4.05Å; I102-F133 HydrophobicContact CD1-CD2 3.98Å; I102-F133 HydrophobicContact CD1-CE2 3.48Å; I102-F133 VanDerWaalsContact CD1-CE2 3.48Å; I102-F133 HydrophobicContact CD1-CZ 4.42Å; I102-A158 HydrophobicContact CG2-CB 4.38Å
103R92.9Very high95Very high28 Ų2857.9 Ų57.911%0.10629%0.286CS..Hα-helixtrans-63.9-41.2-172.5-176.664.7-172.375.8-1.8112.2G12 I99 L100 S107 D157 Q181G12-R103 PolarHBondContact O-NH2 2.98Å; G12-R103 VanDerWaalsContact O-NH2 3.11Å; I99-R103 PolarHBondContact O-N 3.43Å; L100-R103 PolarHBondContact O-N 3.09Å; R103-S107 PolarHBondContact NH1-OG 3.24Å; R103-S107 PolarHBondContact O-N 3.42Å; R103-D157 IonicContact NE-OD2 3.02Å; R103-D157 PolarHBondContact NE-OD2 3.27Å; R103-Q181 VanDerWaalsContact NH2-OE1 3.08Å
104Y92.7Very high94.8Very high98 Ų9861.8 Ų61.838%0.38430%0.299SS..Hα-helixtrans-77.2-30.9175.7-65.7-29.2000112.4L13 L100 I102 V106 S107 R108L13-Y104 HydrophobicContact CD2-CE1 3.82Å; L100-Y104 HydrophobicContact CB-CD2 3.96Å; L100-Y104 HydrophobicContact CB-CE2 3.91Å; L100-Y104 HydrophobicContact CD1-CE2 4.16Å; L100-Y104 HydrophobicContact CD2-CD2 4.44Å; L100-Y104 HydrophobicContact CD2-CE1 4.25Å; L100-Y104 HydrophobicContact CD2-CE2 3.84Å; L100-Y104 HydrophobicContact CG-CE2 4.18Å; L100-Y104 WeakPolarHBondContact O-CA 3.37Å; L100-Y104 WeakPolarHBondContact O-CB 3.43Å; L100-Y104 WeakPolarHBondContact O-CD2 3.29Å; L100-Y104 PolarHBondContact O-N 3.3Å; I102-Y104 PolarHBondContact O-N 2.8Å; Y104-V106 VanDerWaalsContact C-N 3.32Å; Y104-V106 PolarHBondContact O-N 3.11Å; Y104-S107 PolarHBondContact O-N 2.92Å; Y104-R108 VanDerWaalsContact O-CB 3.24Å; Y104-R108 WeakPolarHBondContact O-CB 3.21Å; Y104-R108 PolarHBondContact O-N 2.93Å
105G91.8Very high94.5Very high18 Ų1856.5 Ų56.519%0.18627%0.273CS..Hα-helixtrans-54.2-48.7169.700000111.8D101 I102D101-G105 WeakPolarHBondContact O-CA 3.41Å; D101-G105 PolarHBondContact O-N 2.86Å; I102-G105 PolarHBondContact O-N 2.91Å
106V90.9Very high94.2Very high32 Ų3261.5 Ų61.519%0.19430%0.296CS..Hα-helixtrans-62.8-51.4173.9-179.90000111.4I102 Y104 R108 I109 A110 F122 F187I102-V106 PolarHBondContact O-N 3Å; I102-V106 VanDerWaalsContact O-N 3.09Å; Y104-V106 VanDerWaalsContact C-N 3.32Å; Y104-V106 PolarHBondContact O-N 3.11Å; V106-R108 VanDerWaalsContact C-N 3.26Å; V106-R108 PolarHBondContact O-N 2.75Å; V106-I109 WeakPolarHBondContact O-CG1 3.35Å; V106-I109 PolarHBondContact O-N 3.49Å; V106-A110 VanDerWaalsContact O-CB 3.26Å; V106-A110 WeakPolarHBondContact O-CB 3.17Å; V106-A110 PolarHBondContact O-N 3.22Å; V106-F122 HydrophobicContact CG2-CE1 3.63Å; V106-F122 HydrophobicContact CG2-CE2 4.41Å; V106-F122 HydrophobicContact CG2-CZ 3.52Å; V106-F187 HydrophobicContact CG1-CD1 4.05Å; V106-F187 HydrophobicContact CG1-CE1 3.89Å
107S92Very high94Very high22 Ų2265.3 Ų65.315%0.15432%0.321CS..Hα-helixtrans-60.4-34-177.5-83.20000113.3R103 Y104 I109 Y111 Q181R103-S107 PolarHBondContact NH1-OG 3.24Å; R103-S107 PolarHBondContact O-N 3.42Å; Y104-S107 PolarHBondContact O-N 2.92Å; S107-I109 VanDerWaalsContact C-N 3.29Å; S107-I109 PolarHBondContact O-N 3.25Å; S107-Y111 WeakPolarHBondContact O-CD2 3.47Å; S107-Q181 PolarHBondContact OG-NE2 3.17Å; S107-Q181 PolarHBondContact OG-OE1 3Å
108R92.4Very high93.8Very high221 Ų22166.2 Ų66.283%0.83432%0.317SS*.Hα-helixtrans-63.8-34.8-179.1-176.6174.2179.5169-0.9112.5Y104 V106Y104-R108 VanDerWaalsContact O-CB 3.24Å; Y104-R108 WeakPolarHBondContact O-CB 3.21Å; Y104-R108 PolarHBondContact O-N 2.93Å; V106-R108 VanDerWaalsContact C-N 3.26Å; V106-R108 PolarHBondContact O-N 2.75Å
109I92.8Very high93.4Very high20 Ų2067.7 Ų67.710%0.10332%0.319CS..Hα-helixtrans-96.4-24.8-178.466.7169.5000112.6V106 S107 Y111 N112 F115 L118 K119 F122V106-I109 WeakPolarHBondContact O-CG1 3.35Å; V106-I109 PolarHBondContact O-N 3.49Å; S107-I109 VanDerWaalsContact C-N 3.29Å; S107-I109 PolarHBondContact O-N 3.25Å; I109-Y111 VanDerWaalsContact C-N 3.26Å; I109-Y111 PolarHBondContact O-N 3.34Å; I109-Y111 VanDerWaalsContact O-N 3.16Å; I109-N112 WeakPolarHBondContact O-CB 3.45Å; I109-N112 PolarHBondContact O-N 3.03Å; I109-F115 HydrophobicContact CB-CD2 4.41Å; I109-F115 HydrophobicContact CD1-CD2 4.11Å; I109-F115 HydrophobicContact CD1-CE2 3.86Å; I109-F115 HydrophobicContact CG1-CD2 4.01Å; I109-F115 HydrophobicContact CG1-CE2 4.03Å; I109-L118 HydrophobicContact CB-CB 4Å; I109-L118 HydrophobicContact CB-CD1 4.3Å; I109-L118 HydrophobicContact CG2-CB 3.8Å; I109-L118 HydrophobicContact CG2-CD1 4.17Å; I109-K119 HydrophobicContact CD1-CB 4.41Å; I109-F122 HydrophobicContact CD1-CB 3.94Å; I109-F122 HydrophobicContact CD1-CD1 4.49Å; I109-F122 HydrophobicContact CD1-CG 4.27Å
110A94.2Very high93Very high0 Ų071.2 Ų71.20%034%0.34CS..Hα-helixtrans-63.6-24.4-170.800000115.1V106 Q181 A185 T186 F187V106-A110 VanDerWaalsContact O-CB 3.26Å; V106-A110 WeakPolarHBondContact O-CB 3.17Å; V106-A110 PolarHBondContact O-N 3.22Å; A110-Q181 HydrophobicContact CB-CG 3.99Å; A110-A185 CarbonylContact O-C 3.56Å; A110-T186 WeakPolarHBondContact O-CA 3.31Å; A110-T186 WeakPolarHBondContact O-CB 3.48Å; A110-T186 PolarHBondContact O-N 2.93Å; A110-F187 HydrophobicContact CB-CB 4.21Å; A110-F187 HydrophobicContact CB-CD1 4.36Å; A110-F187 PolarHBondContact O-N 3.21Å; A110-F187 VanDerWaalsContact O-N 3.08Å
111Y94.5Very high92.8Very high108 Ų10874.2 Ų74.242%0.42436%0.357SS..THydrogen-bonded Turntrans-96.5-1177.4-62.3-90.7000113.2S107 I109 Q181 G182 A185S107-Y111 WeakPolarHBondContact O-CD2 3.47Å; I109-Y111 VanDerWaalsContact C-N 3.26Å; I109-Y111 PolarHBondContact O-N 3.34Å; I109-Y111 VanDerWaalsContact O-N 3.16Å; Y111-Q181 HydrophobicContact CE2-CB 4.36Å; Y111-G182 PolarHBondContact OH-N 3.34Å; Y111-A185 HydrophobicContact CD1-CB 3.73Å; Y111-A185 HydrophobicContact CE1-CB 3.66Å; Y111-A185 HydrophobicContact CG-CB 4.23Å
112N94.6Very high92.5Very high64 Ų6470.3 Ų70.334%0.34233%0.334SS..  trans-84.5135.8-179-164-40.9000110.2I109 E114 F115 L118 T186I109-N112 WeakPolarHBondContact O-CB 3.45Å; I109-N112 PolarHBondContact O-N 3.03Å; N112-E114 PolarHBondContact O-N 2.97Å; N112-E114 PolarHBondContact OD1-N 3.47Å; N112-F115 VanDerWaalsContact O-CB 3.25Å; N112-F115 WeakPolarHBondContact O-CB 3.24Å; N112-F115 PolarHBondContact O-N 3.3Å; N112-L118 HydrophobicContact CB-CD1 3.8Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.24Å; N112-T186 PolarHBondContact O-OG1 3.29Å
113K95.5Very high92.3Very high198 Ų19874 Ų7486%0.86135%0.354SS*.THydrogen-bonded Turntrans-61.4-25.8174.8-65.2-179.9179.6178.20112.6F115K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.22Å
114E95.3Very high92.2Very high126 Ų12678.4 Ų78.459%0.58938%0.379SS*.THydrogen-bonded Turntrans-90.922175.4-60.3176.8-171.300112.6N112 E116 T117 L118N112-E114 PolarHBondContact O-N 2.97Å; N112-E114 PolarHBondContact OD1-N 3.47Å; E114-E116 PolarHBondContact O-N 3.21Å; E114-E116 VanDerWaalsContact O-N 3.12Å; E114-T117 PolarHBondContact O-N 3.02Å; E114-L118 PolarHBondContact O-N 2.74Å; E114-L118 VanDerWaalsContact O-N 3.16Å
115F92.3Very high92.1Very high11 Ų1179.8 Ų79.85%0.04839%0.389CS..Hα-helixtrans-46.5-43.9-178.5167.2-102000113.2I109 N112 K113 T117 L118 K119 T186 F187I109-F115 HydrophobicContact CB-CD2 4.41Å; I109-F115 HydrophobicContact CD1-CD2 4.11Å; I109-F115 HydrophobicContact CD1-CE2 3.86Å; I109-F115 HydrophobicContact CG1-CD2 4.01Å; I109-F115 HydrophobicContact CG1-CE2 4.03Å; N112-F115 VanDerWaalsContact O-CB 3.25Å; N112-F115 WeakPolarHBondContact O-CB 3.24Å; N112-F115 PolarHBondContact O-N 3.3Å; K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.22Å; F115-T117 VanDerWaalsContact C-N 3.27Å; F115-T117 PolarHBondContact O-N 3.35Å; F115-L118 PolarHBondContact O-N 2.97Å; F115-K119 HydrophobicContact CE1-CD 3.92Å; F115-K119 HydrophobicContact CE2-CB 4.3Å; F115-K119 HydrophobicContact CZ-CB 4.19Å; F115-K119 HydrophobicContact CZ-CD 3.77Å; F115-K119 HydrophobicContact CZ-CG 4.2Å; F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.47Å; F115-T186 HydrophobicContact CB-CG2 3.84Å; F115-T186 HydrophobicContact CD1-CG2 4.44Å; F115-T186 HydrophobicContact CG-CG2 4.4Å; F115-F187 HydrophobicContact CD1-CB 3.98Å; F115-F187 HydrophobicContact CD2-CB 3.79Å; F115-F187 HydrophobicContact CE1-CB 3.6Å; F115-F187 AromaticContact CE1-CD2 3.85Å; F115-F187 HydrophobicContact CE1-CD2 3.85Å; F115-F187 AromaticContact CE1-CG 3.95Å; F115-F187 HydrophobicContact CE1-CG 3.95Å; F115-F187 HydrophobicContact CE2-CB 3.39Å; F115-F187 HydrophobicContact CE2-CD1 4.13Å; F115-F187 HydrophobicContact CE2-CD2 4.3Å; F115-F187 AromaticContact CE2-CG 3.69Å; F115-F187 HydrophobicContact CE2-CG 3.69Å; F115-F187 HydrophobicContact CG-CB 4.06Å; F115-F187 HydrophobicContact CZ-CB 3.29Å; F115-F187 HydrophobicContact CZ-CD1 4.08Å; F115-F187 AromaticContact CZ-CD2 3.47Å; F115-F187 HydrophobicContact CZ-CD2 3.47Å; F115-F187 VanDerWaalsContact CZ-CD2 3.47Å; F115-F187 HydrophobicContact CZ-CE2 4.31Å; F115-F187 AromaticContact CZ-CG 3.33Å; F115-F187 HydrophobicContact CZ-CG 3.33Å
116E91Very high92Very high117 Ų11780.4 Ų80.455%0.54739%0.388SS..Hα-helixtrans-60.2-35-177.9-73.5-60.4126.600113.2E114 K119E114-E116 PolarHBondContact O-N 3.21Å; E114-E116 VanDerWaalsContact O-N 3.12Å; E116-K119 IonicContact OE1-NZ 2.56Å; E116-K119 PolarHBondContact OE1-NZ 2.83Å; E116-K119 IonicContact OE2-NZ 2.71Å; E116-K119 PolarHBondContact OE2-NZ 2.99Å
117T94.6Very high91.9Very high96 Ų9682.9 Ų82.959%0.58941%0.405SS*.Hα-helixtrans-74.9-50.7175.4-53.60000110.8E114 F115 K119 V120E114-T117 PolarHBondContact O-N 3.02Å; F115-T117 VanDerWaalsContact C-N 3.27Å; F115-T117 PolarHBondContact O-N 3.35Å; T117-K119 PolarHBondContact O-N 3.45Å; T117-V120 WeakPolarHBondContact O-CB 3.47Å; T117-V120 PolarHBondContact O-N 2.85Å; T117-V120 VanDerWaalsContact O-N 3.14Å
118L93.1Very high91.9Very high50 Ų5084.1 Ų84.126%0.26242%0.421SS..Hα-helixtrans-64.7-28.5-177-64.7173.7000113I109 N112 E114 F115 V120 D121 F122I109-L118 HydrophobicContact CB-CB 4Å; I109-L118 HydrophobicContact CB-CD1 4.3Å; I109-L118 HydrophobicContact CG2-CB 3.8Å; I109-L118 HydrophobicContact CG2-CD1 4.17Å; N112-L118 HydrophobicContact CB-CD1 3.8Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.24Å; E114-L118 PolarHBondContact O-N 2.74Å; E114-L118 VanDerWaalsContact O-N 3.16Å; F115-L118 PolarHBondContact O-N 2.97Å; L118-V120 PolarHBondContact O-N 3.31Å; L118-D121 PolarHBondContact O-N 3.44Å; L118-F122 PolarHBondContact O-N 3.31Å
119K89Confident91.8Very high59 Ų5975.1 Ų75.126%0.25739%0.389SS..Hα-helixtrans-56.9-36.6175.1178.6-179.766.9-166.50111.7I109 F115 E116 T117 F122 L123I109-K119 HydrophobicContact CD1-CB 4.41Å; F115-K119 HydrophobicContact CE1-CD 3.92Å; F115-K119 HydrophobicContact CE2-CB 4.3Å; F115-K119 HydrophobicContact CZ-CB 4.19Å; F115-K119 HydrophobicContact CZ-CD 3.77Å; F115-K119 HydrophobicContact CZ-CG 4.2Å; F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.47Å; E116-K119 IonicContact OE1-NZ 2.56Å; E116-K119 PolarHBondContact OE1-NZ 2.83Å; E116-K119 IonicContact OE2-NZ 2.71Å; E116-K119 PolarHBondContact OE2-NZ 2.99Å; T117-K119 PolarHBondContact O-N 3.45Å; K119-F122 PolarHBondContact O-N 2.93Å; K119-L123 HydrophobicContact CD-CD1 4.22Å; K119-L123 HydrophobicContact CG-CD1 3.71Å; K119-L123 HydrophobicContact CG-CG 4.05Å; K119-L123 WeakPolarHBondContact O-CB 3.39Å; K119-L123 VanDerWaalsContact O-CG 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.44Å; K119-L123 PolarHBondContact O-N 3.31Å
120V90.1Very high91.8Very high77 Ų7776.9 Ų76.947%0.46740%0.399SS..Hα-helixtrans-61.2-48.6-178.6179.20000110.8T117 L118 F122 L123 N124T117-V120 WeakPolarHBondContact O-CB 3.47Å; T117-V120 PolarHBondContact O-N 2.85Å; T117-V120 VanDerWaalsContact O-N 3.14Å; L118-V120 PolarHBondContact O-N 3.31Å; V120-F122 PolarHBondContact O-N 2.95Å; V120-L123 PolarHBondContact O-N 3.26Å; V120-N124 VanDerWaalsContact O-CG 3.27Å; V120-N124 PolarHBondContact O-N 3.36Å; V120-N124 PolarHBondContact O-ND2 3.44Å
121D91.8Very high91.7Very high97 Ų9781.4 Ų81.452%0.51942%0.418SS..Hα-helixtrans-65.1-40.8180-69.4-21.3000112.1L118 N124 Q125L118-D121 PolarHBondContact O-N 3.44Å; D121-N124 PolarHBondContact O-N 3.05Å; D121-Q125 WeakPolarHBondContact O-CG 3.41Å; D121-Q125 PolarHBondContact O-N 3.04Å
122F89Confident91.7Very high27 Ų2781.6 Ų81.612%0.11842%0.424CS..Hα-helixtrans-62.4-46.3175.6177.7-102.8000111.5I102 V106 I109 L118 K119 V120 N124 Q125 L126 M129I102-F122 HydrophobicContact CG2-CZ 4.46Å; V106-F122 HydrophobicContact CG2-CE1 3.63Å; V106-F122 HydrophobicContact CG2-CE2 4.41Å; V106-F122 HydrophobicContact CG2-CZ 3.52Å; I109-F122 HydrophobicContact CD1-CB 3.94Å; I109-F122 HydrophobicContact CD1-CD1 4.49Å; I109-F122 HydrophobicContact CD1-CG 4.27Å; L118-F122 PolarHBondContact O-N 3.31Å; K119-F122 PolarHBondContact O-N 2.93Å; V120-F122 PolarHBondContact O-N 2.95Å; F122-N124 VanDerWaalsContact C-N 3.28Å; F122-N124 PolarHBondContact O-N 3.48Å; F122-Q125 PolarHBondContact O-N 2.87Å; F122-Q125 VanDerWaalsContact O-N 3.16Å; F122-L126 HydrophobicContact CE1-CD1 4.23Å; F122-L126 HydrophobicContact CE1-CD2 4.22Å; F122-L126 HydrophobicContact CZ-CD1 4Å; F122-L126 WeakPolarHBondContact O-CB 3.45Å; F122-L126 PolarHBondContact O-N 3.21Å; F122-M129 HydrophobicContact CD2-CE 4.42Å; F122-M129 HydrophobicContact CE2-CE 3.95Å
123L88.7Confident91.8Very high86 Ų8679.1 Ų79.145%0.4541%0.41SS..Hα-helixtrans-65.2-29.7178.4-71.7178.6000112.8K119 V120 Q125 L126 P127K119-L123 HydrophobicContact CD-CD1 4.22Å; K119-L123 HydrophobicContact CG-CD1 3.71Å; K119-L123 HydrophobicContact CG-CG 4.05Å; K119-L123 WeakPolarHBondContact O-CB 3.39Å; K119-L123 VanDerWaalsContact O-CG 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.44Å; K119-L123 PolarHBondContact O-N 3.31Å; V120-L123 PolarHBondContact O-N 3.26Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-L126 HydrophobicContact CD2-CD2 4Å; L123-P127 WeakPolarHBondContact O-CD 3.41Å
124N90.9Very high91.7Very high119 Ų11975.7 Ų75.764%0.63640%0.397SS*.Hα-helixtrans-68.5-31.3174.3-73.7-25.3000112.7V120 D121 F122V120-N124 VanDerWaalsContact O-CG 3.27Å; V120-N124 PolarHBondContact O-N 3.36Å; V120-N124 PolarHBondContact O-ND2 3.44Å; D121-N124 PolarHBondContact O-N 3.05Å; F122-N124 VanDerWaalsContact C-N 3.28Å; F122-N124 PolarHBondContact O-N 3.48Å
125Q89.7Confident91.7Very high127 Ų12773.3 Ų73.359%0.59339%0.389SS*.Hα-helixtrans-86-27.5178.5-64.5173.636.700112.6D121 F122 L123 G128 M129D121-Q125 WeakPolarHBondContact O-CG 3.41Å; D121-Q125 PolarHBondContact O-N 3.04Å; F122-Q125 PolarHBondContact O-N 2.87Å; F122-Q125 VanDerWaalsContact O-N 3.16Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-G128 PolarHBondContact O-N 3.1Å; Q125-G128 VanDerWaalsContact O-N 3.14Å; Q125-M129 HydrophobicContact CB-CE 3.96Å; Q125-M129 PolarHBondContact O-N 3.43Å
126L89Confident91.9Very high32 Ų3276 Ų7617%0.16840%0.399CS..Hα-helixtrans-55.4-42.6-173.3-173.964.1000114.5I102 F122 L123 G128 M129 L130I102-L126 HydrophobicContact CG2-CD1 4.19Å; F122-L126 HydrophobicContact CE1-CD1 4.23Å; F122-L126 HydrophobicContact CE1-CD2 4.22Å; F122-L126 HydrophobicContact CZ-CD1 4Å; F122-L126 WeakPolarHBondContact O-CB 3.45Å; F122-L126 PolarHBondContact O-N 3.21Å; L123-L126 HydrophobicContact CD2-CD2 4Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.33Å; L126-M129 HydrophobicContact CB-CE 4.43Å; L126-M129 HydrophobicContact CD1-CE 4.26Å; L126-M129 WeakPolarHBondContact O-CB 3.44Å; L126-M129 PolarHBondContact O-N 3.01Å; L126-M129 VanDerWaalsContact O-N 3.09Å; L126-L130 HydrophobicContact CD1-CD1 4.22Å; L126-L130 HydrophobicContact CD1-CD2 4.3Å; L126-L130 HydrophobicContact CD1-CG 3.97Å; L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 3.82Å; L126-L130 HydrophobicContact CG-CG 4.01Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 2.89Å
127P90Very high92.1Very high83 Ų8373.9 Ų73.954%0.53939%0.39SS..Hα-helixtrans-57-39.8177.3-27.734.8000113.4L123 L130 K131L123-P127 WeakPolarHBondContact O-CD 3.41Å; P127-L130 PolarHBondContact O-N 2.97Å; P127-K131 VanDerWaalsContact O-CB 3.32Å; P127-K131 WeakPolarHBondContact O-CB 3.27Å; P127-K131 PolarHBondContact O-N 2.69Å
128G91Very high92.1Very high49 Ų4972.6 Ų72.651%0.50539%0.385SS..Hα-helixtrans-65.2-39.3176.900000112.3Q125 L126Q125-G128 PolarHBondContact O-N 3.1Å; Q125-G128 VanDerWaalsContact O-N 3.14Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.33Å
129M91Very high92.1Very high31 Ų3177.8 Ų77.815%0.15341%0.408CS..Hα-helixtrans-65.6-47.3174.3-68-175.8-84.800112I102 F122 Q125 L126 K131 M132 F133I102-M129 HydrophobicContact CD1-CB 4.17Å; I102-M129 HydrophobicContact CG1-CB 4.05Å; I102-M129 HydrophobicContact CG1-SD 3.98Å; F122-M129 HydrophobicContact CD2-CE 4.42Å; F122-M129 HydrophobicContact CE2-CE 3.95Å; Q125-M129 HydrophobicContact CB-CE 3.96Å; Q125-M129 PolarHBondContact O-N 3.43Å; L126-M129 HydrophobicContact CB-CE 4.43Å; L126-M129 HydrophobicContact CD1-CE 4.26Å; L126-M129 WeakPolarHBondContact O-CB 3.44Å; L126-M129 PolarHBondContact O-N 3.01Å; L126-M129 VanDerWaalsContact O-N 3.09Å; M129-K131 VanDerWaalsContact C-N 3.35Å; M129-K131 PolarHBondContact O-N 3.01Å; M129-M132 HydrophobicContact CB-CE 4.47Å; M129-M132 PolarHBondContact O-N 3.15Å; M129-F133 VanDerWaalsContact O-CD2 3.32Å; M129-F133 WeakPolarHBondContact O-CD2 3.45Å
130L91.9Very high92.3Very high58 Ų5877.4 Ų77.430%0.30441%0.409SS..Hα-helixtrans-66.8-34.7-178.8-67.1-179.4000112.8I102 L126 P127 M132 F133 E134 L159I102-L130 HydrophobicContact CD1-CD2 4.05Å; L126-L130 HydrophobicContact CD1-CD1 4.22Å; L126-L130 HydrophobicContact CD1-CD2 4.3Å; L126-L130 HydrophobicContact CD1-CG 3.97Å; L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 3.82Å; L126-L130 HydrophobicContact CG-CG 4.01Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 2.89Å; P127-L130 PolarHBondContact O-N 2.97Å; L130-M132 PolarHBondContact O-N 3.03Å; L130-F133 PolarHBondContact O-N 2.63Å; L130-E134 PolarHBondContact O-N 3.3Å; L130-L159 HydrophobicContact CD2-CD2 3.72Å
131K94Very high92.5Very high94 Ų9478 Ų7841%0.40941%0.413SS..Hα-helixtrans-58.2-35.7177.9-174.458.3166.7740112.6P127 M129 F133 E134 D135P127-K131 VanDerWaalsContact O-CB 3.32Å; P127-K131 WeakPolarHBondContact O-CB 3.27Å; P127-K131 PolarHBondContact O-N 2.69Å; M129-K131 VanDerWaalsContact C-N 3.35Å; M129-K131 PolarHBondContact O-N 3.01Å; K131-F133 VanDerWaalsContact C-N 3.31Å; K131-F133 PolarHBondContact O-N 2.72Å; K131-E134 WeakPolarHBondContact CD-OE2 3.34Å; K131-E134 PolarHBondContact O-N 3.04Å; K131-D135 IonicContact NZ-OD1 3.96Å; K131-D135 PolarHBondContact NZ-OD1 2.93Å; K131-D135 IonicContact NZ-OD2 3.5Å; K131-D135 PolarHBondContact NZ-OD2 3.06Å; K131-D135 WeakPolarHBondContact O-CB 3.49Å; K131-D135 PolarHBondContact O-N 3.36Å
132M94.6Very high92.7Very high113 Ų11376.8 Ų76.856%0.55740%0.401SS*.Hα-helixtrans-63.1-38176.4-63.8-173-77.400112.3M129 L130 R136M129-M132 HydrophobicContact CB-CE 4.47Å; M129-M132 PolarHBondContact O-N 3.15Å; L130-M132 PolarHBondContact O-N 3.03Å; M132-R136 WeakPolarHBondContact O-CB 3.45Å; M132-R136 PolarHBondContact O-N 3Å; M132-R136 VanDerWaalsContact O-N 3.08Å
133F95.1Very high93.1Very high11 Ų1175.5 Ų75.55%0.04840%0.396CS..Hα-helixtrans-75.1-38.8176.7-65.9-73.1000112A98 I99 I102 M129 L130 K131 D135 R136 L137 L143 L155A98-F133 HydrophobicContact CB-CE1 4.41Å; A98-F133 HydrophobicContact CB-CE2 4.49Å; A98-F133 HydrophobicContact CB-CZ 3.72Å; I99-F133 HydrophobicContact CB-CZ 4.37Å; I99-F133 HydrophobicContact CD1-CE1 4.21Å; I99-F133 HydrophobicContact CG1-CE1 3.49Å; I99-F133 VanDerWaalsContact CG1-CE1 3.49Å; I99-F133 HydrophobicContact CG1-CZ 3.47Å; I99-F133 VanDerWaalsContact CG1-CZ 3.47Å; I102-F133 HydrophobicContact CD1-CD2 3.98Å; I102-F133 HydrophobicContact CD1-CE2 3.48Å; I102-F133 VanDerWaalsContact CD1-CE2 3.48Å; I102-F133 HydrophobicContact CD1-CZ 4.42Å; M129-F133 VanDerWaalsContact O-CD2 3.32Å; M129-F133 WeakPolarHBondContact O-CD2 3.45Å; L130-F133 PolarHBondContact O-N 2.63Å; K131-F133 VanDerWaalsContact C-N 3.31Å; K131-F133 PolarHBondContact O-N 2.72Å; F133-D135 PolarHBondContact O-N 2.81Å; F133-R136 PolarHBondContact O-N 2.95Å; F133-L137 WeakPolarHBondContact O-CB 3.42Å; F133-L137 VanDerWaalsContact O-CG 3.32Å; F133-L137 WeakPolarHBondContact O-CG 3.38Å; F133-L137 PolarHBondContact O-N 3.47Å; F133-L143 HydrophobicContact CD1-CD2 3.84Å; F133-L143 HydrophobicContact CE1-CD2 4.5Å; F133-L155 HydrophobicContact CB-CD2 4.25Å; F133-L155 HydrophobicContact CD1-CD1 4.11Å; F133-L155 HydrophobicContact CD1-CD2 3.81Å; F133-L155 HydrophobicContact CD2-CD1 4.26Å; F133-L155 HydrophobicContact CE1-CD1 4.3Å; F133-L155 HydrophobicContact CE1-CD2 4.47Å; F133-L155 HydrophobicContact CE2-CD1 4.47Å; F133-L155 HydrophobicContact CG-CD1 4.08Å; F133-L155 HydrophobicContact CG-CD2 4.14Å; F133-L155 HydrophobicContact CZ-CD1 4.48Å
134E94.3Very high93.4Very high126 Ų12672.5 Ų72.559%0.58938%0.38SS*.Hα-helixtrans-56.8-48.4172.5-174.4-178.4-176.900111.1L130 K131 R136 L137 S138L130-E134 PolarHBondContact O-N 3.3Å; K131-E134 WeakPolarHBondContact CD-OE2 3.34Å; K131-E134 PolarHBondContact O-N 3.04Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3Å; E134-L137 PolarHBondContact O-N 3.24Å; E134-S138 PolarHBondContact O-N 3.25Å
135D96Very high93.6Very high76 Ų7667.5 Ų67.541%0.40636%0.357SS..Hα-helixtrans-66.8-33178-73-24000113.3K131 F133 S138K131-D135 IonicContact NZ-OD1 3.96Å; K131-D135 PolarHBondContact NZ-OD1 2.93Å; K131-D135 IonicContact NZ-OD2 3.5Å; K131-D135 PolarHBondContact NZ-OD2 3.06Å; K131-D135 WeakPolarHBondContact O-CB 3.49Å; K131-D135 PolarHBondContact O-N 3.36Å; F133-D135 PolarHBondContact O-N 2.81Å; D135-S138 PolarHBondContact O-OG 3.49Å
136R95.1Very high93.8Very high69 Ų6967.6 Ų67.626%0.2636%0.361SS..Hα-helixtrans-67.6-42.3173.9-174.567.5173.1-167.7-1.8110.5E91 M132 F133 E134 N140 L143E91-R136 IonicContact OE2-NH2 2.62Å; E91-R136 PolarHBondContact OE2-NH2 2.97Å; M132-R136 WeakPolarHBondContact O-CB 3.45Å; M132-R136 PolarHBondContact O-N 3Å; M132-R136 VanDerWaalsContact O-N 3.08Å; F133-R136 PolarHBondContact O-N 2.95Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3Å; R136-N140 PolarHBondContact O-ND2 3.41Å; R136-L143 HydrophobicContact CG-CD2 4.26Å; R136-L143 PolarHBondContact NE-O 2.84Å; R136-L143 PolarHBondContact NH2-O 3.32Å
137L95.5Very high93.9Very high71 Ų7173.6 Ų73.637%0.37239%0.386SS..Hα-helixtrans-81.9-14.5-176-68.8170.1000113.5F133 E134 H139 L143 L155F133-L137 WeakPolarHBondContact O-CB 3.42Å; F133-L137 VanDerWaalsContact O-CG 3.32Å; F133-L137 WeakPolarHBondContact O-CG 3.38Å; F133-L137 PolarHBondContact O-N 3.47Å; E134-L137 PolarHBondContact O-N 3.24Å; L137-H139 PolarHBondContact O-N 3.06Å; L137-L143 HydrophobicContact CD1-CD2 4.38Å; L137-L143 HydrophobicContact CD2-CD2 4.02Å; L137-L143 HydrophobicContact CD2-CG 4.48Å; L137-L143 HydrophobicContact CG-CD2 4.08Å; L137-L155 HydrophobicContact CD1-CD2 4.36Å
138S94.7Very high94.2Very high69 Ų6970.5 Ų70.548%0.48337%0.366SS..THydrogen-bonded Turntrans-64.9-17.6174.1650000113.5E134 D135E134-S138 PolarHBondContact O-N 3.25Å; D135-S138 PolarHBondContact O-OG 3.49Å
139H91.9Very high94.5Very high160 Ų16068.5 Ų68.574%0.74134%0.343SS*.SBendtrans-124.50.6-177.6-57.6-53.9000113.8L137L137-H139 PolarHBondContact O-N 3.06Å
140N94.4Very high94.9Very high50 Ų5067 Ų6727%0.26734%0.336SS..  trans-137.5147-176-61.1-67.3000110.9R136 Y142 G145R136-N140 PolarHBondContact O-ND2 3.41Å; N140-Y142 WeakPolarHBondContact CB-O 3.21Å; N140-G145 WeakPolarHBondContact OD1-CA 3Å
141T94.4Very high95.1Very high89 Ų8964.2 Ų64.255%0.54632%0.322SS..SBendtrans-68.2-40.1174.7-52.50000111.7G145 D146T141-G145 PolarHBondContact N-O 2.71Å; T141-D146 PolarHBondContact OG1-OD1 3.15Å; T141-D146 VanDerWaalsContact OG1-OD1 3.04Å
142Y95.8Very high95.3Very high73 Ų7360.5 Ų60.529%0.28631%0.306SS..BIsolated β-bridgetrans-129.8174.4177.3-62.8-70.8000109.5N140 N144 G145 V148 D152N140-Y142 WeakPolarHBondContact CB-O 3.21Å; Y142-N144 PolarHBondContact O-N 3.35Å; Y142-N144 VanDerWaalsContact O-N 3.13Å; Y142-G145 PolarHBondContact N-O 3.42Å; Y142-G145 PolarHBondContact O-N 3.49Å; Y142-V148 HydrophobicContact CD1-CG2 3.89Å; Y142-V148 HydrophobicContact CD2-CG2 3.97Å; Y142-V148 HydrophobicContact CE1-CG2 3.53Å; Y142-V148 HydrophobicContact CE2-CG2 3.59Å; Y142-V148 HydrophobicContact CG-CG2 4.1Å; Y142-D152 WeakPolarHBondContact CB-OD1 3.5Å
143L96.7Very high95.3Very high0 Ų055.2 Ų55.20%028%0.28CS..THydrogen-bonded Turntrans-61.4-27.5-176.4-70.1175.1000114L95 I99 F133 R136 L137 P151 D152 L155L95-L143 HydrophobicContact CD1-CB 3.92Å; L95-L143 HydrophobicContact CD2-CB 4.28Å; L95-L143 HydrophobicContact CD2-CD2 4.47Å; I99-L143 HydrophobicContact CD1-CD1 3.82Å; F133-L143 HydrophobicContact CD1-CD2 3.84Å; F133-L143 HydrophobicContact CE1-CD2 4.5Å; R136-L143 HydrophobicContact CG-CD2 4.26Å; R136-L143 PolarHBondContact NE-O 2.84Å; R136-L143 PolarHBondContact NH2-O 3.32Å; L137-L143 HydrophobicContact CD1-CD2 4.38Å; L137-L143 HydrophobicContact CD2-CD2 4.02Å; L137-L143 HydrophobicContact CD2-CG 4.48Å; L137-L143 HydrophobicContact CG-CD2 4.08Å; L143-P151 HydrophobicContact CD1-CB 4.03Å; L143-D152 WeakPolarHBondContact CB-OD1 3.39Å; L143-D152 WeakPolarHBondContact CG-OD1 3.37Å; L143-D152 PolarHBondContact N-OD1 3.01Å; L143-L155 HydrophobicContact CD1-CB 3.9Å; L143-L155 HydrophobicContact CD1-CD2 3.76Å; L143-L155 HydrophobicContact CD1-CG 4.47Å; L143-L155 HydrophobicContact CD2-CD2 3.8Å; L143-L155 HydrophobicContact CG-CD2 4.1Å
144N96.6Very high95.4Very high22 Ų2255 Ų5512%0.11828%0.279CS..BIsolated β-bridgetrans-112.942.2177.1-161.249.8000112.8E88 L95 Y142 T149E88-N144 PolarHBondContact OE1-ND2 3.22Å; L95-N144 HydrophobicContact CD1-CB 4.49Å; Y142-N144 PolarHBondContact O-N 3.35Å; Y142-N144 VanDerWaalsContact O-N 3.13Å; N144-T149 HydrophobicContact CB-CG2 3.82Å
145G94.3Very high95.5Very high14 Ų1449.6 Ų49.614%0.14425%0.254CS..BIsolated β-bridgetrans90.9-128.8176.400000112.3N140 T141 Y142N140-G145 WeakPolarHBondContact OD1-CA 3Å; T141-G145 PolarHBondContact N-O 2.71Å; Y142-G145 PolarHBondContact N-O 3.42Å; Y142-G145 PolarHBondContact O-N 3.49Å
146D93.6Very high95.3Very high130 Ų13046.6 Ų46.670%0.69524%0.237SC*.THydrogen-bonded Turntrans-92.6-1.2-175-63.6-37000114.1T141T141-D146 PolarHBondContact OG1-OD1 3.15Å; T141-D146 VanDerWaalsContact OG1-OD1 3.04Å
147K92.1Very high95.2Very high158 Ų15844.2 Ų44.269%0.68723%0.23SC*.BIsolated β-bridgetrans-112.9135.6-179.4-64.1-177.8-1771770110.7
148V95.9Very high94.8Very high18 Ų1842.3 Ų42.311%0.10922%0.224CC..  trans-63.3137.3168.3-176.90000109Y23 M81 Y142 D152 F153Y23-V148 HydrophobicContact CE1-CB 4.31Å; Y23-V148 HydrophobicContact CE1-CG1 4.21Å; Y23-V148 HydrophobicContact CE2-CG1 4.49Å; Y23-V148 HydrophobicContact CE2-CG2 4.24Å; M81-V148 WeakPolarHBondContact CE-O 3.47Å; Y142-V148 HydrophobicContact CD1-CG2 3.89Å; Y142-V148 HydrophobicContact CD2-CG2 3.97Å; Y142-V148 HydrophobicContact CE1-CG2 3.53Å; Y142-V148 HydrophobicContact CE2-CG2 3.59Å; Y142-V148 HydrophobicContact CG-CG2 4.1Å; V148-D152 HydrophobicContact CG1-CB 4.29Å; V148-F153 HydrophobicContact CG1-CE1 4.49Å; V148-F153 HydrophobicContact CG1-CE2 3.62Å; V148-F153 HydrophobicContact CG1-CZ 3.55Å
149T97.4Very high94.3Very high6 Ų642.8 Ų42.84%0.03722%0.221CC..  trans-130.7166.3172.553.60000109.3I92 N144 P151 D152I92-T149 HydrophobicContact CD1-CG2 4.25Å; N144-T149 HydrophobicContact CB-CG2 3.82Å; T149-P151 VanDerWaalsContact C-N 3.31Å; T149-P151 WeakPolarHBondContact OG1-CD 3.4Å; T149-D152 PolarHBondContact N-OD2 3.18Å; T149-D152 WeakPolarHBondContact O-CB 3.43Å; T149-D152 PolarHBondContact O-N 3.11Å; T149-D152 PolarHBondContact OG1-OD2 3.04Å; T149-D152 VanDerWaalsContact OG1-OD2 3.05Å
150H97.9Very high93.6Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-63-26.2-179.664.8-79.1000115.2L20 L72 A76 E96 D152 F153 M154L20-H150 HydrophobicContact CD1-CB 4.45Å; L20-H150 HydrophobicContact CD2-CB 3.91Å; L72-H150 HydrophobicContact CD1-CB 4.04Å; L72-H150 HydrophobicContact CD2-CB 4.21Å; L72-H150 HydrophobicContact CG-CB 3.94Å; A76-H150 HydrophobicContact CB-CB 4.23Å; A76-H150 VanDerWaalsContact CB-ND1 3.34Å; A76-H150 WeakPolarHBondContact CB-ND1 3.43Å; E96-H150 IonicContact OE1-CD2 3.05Å; E96-H150 IonicContact OE1-CE1 3.11Å; E96-H150 PolarHBondContact OE1-CE1 2.97Å; E96-H150 VanDerWaalsContact OE1-CE1 3.3Å; E96-H150 IonicContact OE1-NE2 2.71Å; E96-H150 PolarHBondContact OE1-NE2 3.26Å; H150-D152 PolarHBondContact O-N 3.05Å; H150-F153 PolarHBondContact O-N 2.9Å; H150-M154 WeakPolarHBondContact O-CG 3.35Å; H150-M154 PolarHBondContact O-N 3.07Å
151P97.8Very high91.6Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-57.2-30.3168.3-28.738.7000114.3I92 L95 E96 I99 L143 T149 F153 M154 L155I92-P151 HydrophobicContact CG2-CG 4.07Å; L95-P151 HydrophobicContact CB-CB 4Å; L95-P151 HydrophobicContact CB-CG 4.17Å; E96-P151 HydrophobicContact CG-CG 4.13Å; I99-P151 HydrophobicContact CD1-CB 3.76Å; I99-P151 VanDerWaalsContact CD1-O 3.27Å; I99-P151 WeakPolarHBondContact CD1-O 3.2Å; L143-P151 HydrophobicContact CD1-CB 4.03Å; T149-P151 VanDerWaalsContact C-N 3.31Å; T149-P151 WeakPolarHBondContact OG1-CD 3.4Å; P151-F153 VanDerWaalsContact C-N 3.3Å; P151-F153 PolarHBondContact O-N 2.92Å; P151-M154 WeakPolarHBondContact O-CB 3.23Å; P151-M154 PolarHBondContact O-N 3.17Å; P151-M154 VanDerWaalsContact O-N 3.14Å; P151-L155 PolarHBondContact O-N 2.96Å
152D96.7Very high89.1Confident15 Ų1543 Ų438%0.0823%0.227CC..Hα-helixtrans-62.6-38.9177.1-62.5-68.1000111.6Y142 L143 V148 T149 H150 Y156Y142-D152 WeakPolarHBondContact CB-OD1 3.5Å; L143-D152 WeakPolarHBondContact CB-OD1 3.39Å; L143-D152 WeakPolarHBondContact CG-OD1 3.37Å; L143-D152 PolarHBondContact N-OD1 3.01Å; V148-D152 HydrophobicContact CG1-CB 4.29Å; T149-D152 PolarHBondContact N-OD2 3.18Å; T149-D152 WeakPolarHBondContact O-CB 3.43Å; T149-D152 PolarHBondContact O-N 3.11Å; T149-D152 PolarHBondContact OG1-OD2 3.04Å; T149-D152 VanDerWaalsContact OG1-OD2 3.05Å; H150-D152 PolarHBondContact O-N 3.05Å; D152-Y156 VanDerWaalsContact O-CB 3.26Å; D152-Y156 WeakPolarHBondContact O-CB 3.48Å; D152-Y156 PolarHBondContact O-N 2.87Å
153F96.3Very high87.1Confident3 Ų342.1 Ų42.11%0.01323%0.227CC..Hα-helixtrans-73.4-28.9175-57.8-63.6000112.9L19 L20 Y23 V148 H150 P151 D157 I166L19-F153 HydrophobicContact CB-CB 4.02Å; L19-F153 HydrophobicContact CB-CD1 3.76Å; L19-F153 HydrophobicContact CB-CG 4.04Å; L19-F153 HydrophobicContact CD1-CB 4.42Å; L20-F153 HydrophobicContact CB-CD2 3.96Å; L20-F153 HydrophobicContact CB-CE2 4.33Å; L20-F153 HydrophobicContact CD1-CD2 3.8Å; L20-F153 HydrophobicContact CD1-CE2 3.54Å; L20-F153 HydrophobicContact CG-CD2 4.48Å; Y23-F153 VanDerWaalsContact CB-CZ 3.45Å; Y23-F153 HydrophobicContact CD1-CE2 4.01Å; Y23-F153 AromaticContact CD1-CZ 3.69Å; Y23-F153 HydrophobicContact CD1-CZ 3.69Å; Y23-F153 HydrophobicContact CD2-CE1 4.44Å; Y23-F153 AromaticContact CD2-CZ 3.81Å; Y23-F153 HydrophobicContact CD2-CZ 3.81Å; Y23-F153 HydrophobicContact CE1-CZ 4.39Å; Y23-F153 HydrophobicContact CE2-CZ 4.49Å; Y23-F153 HydrophobicContact CG-CE1 4.2Å; Y23-F153 HydrophobicContact CG-CE2 4.12Å; Y23-F153 AromaticContact CG-CZ 3.36Å; Y23-F153 HydrophobicContact CG-CZ 3.36Å; V148-F153 HydrophobicContact CG1-CE1 4.49Å; V148-F153 HydrophobicContact CG1-CE2 3.62Å; V148-F153 HydrophobicContact CG1-CZ 3.55Å; H150-F153 PolarHBondContact O-N 2.9Å; P151-F153 VanDerWaalsContact C-N 3.3Å; P151-F153 PolarHBondContact O-N 2.92Å; F153-D157 PolarHBondContact O-N 2.96Å; F153-I166 HydrophobicContact CE1-CG2 4.49Å
154M97Very high85.4Confident7 Ų747.1 Ų47.13%0.03426%0.26CS..Hα-helixtrans-68.6-46.1173.1-62.2170.661.700110.9P16 M69 L72 E96 I99 L100 H150 P151 Y156 D157 A158P16-M154 HydrophobicContact CB-CB 4.47Å; P16-M154 HydrophobicContact CB-CG 3.84Å; P16-M154 HydrophobicContact CG-CB 4.47Å; P16-M154 HydrophobicContact CG-CG 4.18Å; M69-M154 HydrophobicContact CE-CE 3.7Å; M69-M154 HydrophobicContact CE-SD 3.78Å; M69-M154 HydrophobicContact SD-CE 3.67Å; M69-M154 HydrophobicContact SD-SD 4.17Å; L72-M154 HydrophobicContact CD2-CG 3.67Å; L72-M154 HydrophobicContact CD2-SD 3.68Å; E96-M154 HydrophobicContact CB-CE 4.24Å; E96-M154 HydrophobicContact CB-SD 4.5Å; E96-M154 HydrophobicContact CG-CE 4.47Å; E96-M154 HydrophobicContact CG-SD 4.1Å; I99-M154 HydrophobicContact CB-CB 4.43Å; I99-M154 HydrophobicContact CB-CE 4.37Å; I99-M154 HydrophobicContact CD1-CB 4.1Å; I99-M154 HydrophobicContact CG2-CB 3.69Å; I99-M154 HydrophobicContact CG2-CE 4.38Å; L100-M154 HydrophobicContact CD1-CE 4.5Å; L100-M154 HydrophobicContact CD2-CE 3.89Å; L100-M154 HydrophobicContact CG-CE 3.83Å; H150-M154 WeakPolarHBondContact O-CG 3.35Å; H150-M154 PolarHBondContact O-N 3.07Å; P151-M154 WeakPolarHBondContact O-CB 3.23Å; P151-M154 PolarHBondContact O-N 3.17Å; P151-M154 VanDerWaalsContact O-N 3.14Å; M154-Y156 VanDerWaalsContact C-N 3.34Å; M154-D157 PolarHBondContact O-N 3.13Å; M154-A158 PolarHBondContact O-N 2.91Å
155L95.1Very high83.8Confident12 Ų1250.1 Ų50.16%0.06328%0.281CS..Hα-helixtrans-67.1-39.8177.4-176.462.7000110.6I99 F133 L137 L143 P151 D157 A158 L159I99-L155 HydrophobicContact CD1-CB 3.95Å; I99-L155 HydrophobicContact CG1-CB 4.24Å; I99-L155 HydrophobicContact CG1-CD1 4.41Å; F133-L155 HydrophobicContact CB-CD2 4.25Å; F133-L155 HydrophobicContact CD1-CD1 4.11Å; F133-L155 HydrophobicContact CD1-CD2 3.81Å; F133-L155 HydrophobicContact CD2-CD1 4.26Å; F133-L155 HydrophobicContact CE1-CD1 4.3Å; F133-L155 HydrophobicContact CE1-CD2 4.47Å; F133-L155 HydrophobicContact CE2-CD1 4.47Å; F133-L155 HydrophobicContact CG-CD1 4.08Å; F133-L155 HydrophobicContact CG-CD2 4.14Å; F133-L155 HydrophobicContact CZ-CD1 4.48Å; L137-L155 HydrophobicContact CD1-CD2 4.36Å; L143-L155 HydrophobicContact CD1-CB 3.9Å; L143-L155 HydrophobicContact CD1-CD2 3.76Å; L143-L155 HydrophobicContact CD1-CG 4.47Å; L143-L155 HydrophobicContact CD2-CD2 3.8Å; L143-L155 HydrophobicContact CG-CD2 4.1Å; P151-L155 PolarHBondContact O-N 2.96Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 3.06Å; L155-A158 PolarHBondContact O-N 3.11Å; L155-A158 VanDerWaalsContact O-N 3.17Å; L155-L159 HydrophobicContact CD1-CD1 3.83Å; L155-L159 HydrophobicContact CD1-CD2 4.5Å; L155-L159 HydrophobicContact CD1-CG 3.93Å; L155-L159 HydrophobicContact CD2-CD1 4.36Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.23Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.46Å
156Y93Very high83Confident13 Ų1349.7 Ų49.75%0.05128%0.275CS..Hα-helixtrans-53-49.8171174.6-79.8000111.6L19 D152 M154 A158 L159 D160 V161 L163 I166 L170L19-Y156 HydrophobicContact CD1-CD1 3.35Å; L19-Y156 HydrophobicContact CD1-CE1 3.79Å; L19-Y156 HydrophobicContact CD1-CG 4.26Å; L19-Y156 HydrophobicContact CD2-CE1 4.32Å; D152-Y156 VanDerWaalsContact O-CB 3.26Å; D152-Y156 WeakPolarHBondContact O-CB 3.48Å; D152-Y156 PolarHBondContact O-N 2.87Å; M154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.29Å; Y156-L159 PolarHBondContact O-N 3.42Å; Y156-D160 VanDerWaalsContact O-CA 3.26Å; Y156-D160 WeakPolarHBondContact O-CA 3.28Å; Y156-D160 PolarHBondContact O-N 3.32Å; Y156-V161 WeakPolarHBondContact CD2-O 3.34Å; Y156-V161 WeakPolarHBondContact CE2-O 3.18Å; Y156-L163 HydrophobicContact CD2-CB 4.33Å; Y156-L163 HydrophobicContact CD2-CD1 3.71Å; Y156-L163 HydrophobicContact CD2-CG 3.75Å; Y156-L163 HydrophobicContact CE2-CB 4.22Å; Y156-L163 HydrophobicContact CE2-CD1 4.4Å; Y156-L163 HydrophobicContact CE2-CG 4.1Å; Y156-L163 HydrophobicContact CG-CD1 4.39Å; Y156-I166 HydrophobicContact CD2-CD1 4.22Å; Y156-I166 HydrophobicContact CE1-CD1 4.04Å; Y156-I166 HydrophobicContact CE2-CD1 3.57Å; Y156-L170 WeakPolarHBondContact OH-CD1 3.3Å
157D92Very high82.4Confident19 Ų1949.8 Ų49.810%0.10227%0.269CS..Hα-helixtrans-63.9-37.6179.1179.668.6000111.8Q15 P16 R103 F153 M154 L155 L159Q15-D157 VanDerWaalsContact CB-OD1 3.3Å; Q15-D157 WeakPolarHBondContact CB-OD1 3.26Å; Q15-D157 VanDerWaalsContact CG-OD1 3.25Å; Q15-D157 WeakPolarHBondContact CG-OD1 3.38Å; P16-D157 HydrophobicContact CG-CB 3.95Å; R103-D157 IonicContact NE-OD2 3.02Å; R103-D157 PolarHBondContact NE-OD2 3.27Å; F153-D157 PolarHBondContact O-N 2.96Å; M154-D157 PolarHBondContact O-N 3.13Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 3.06Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 2.87Å
158A87.6Confident82Confident30 Ų3048.9 Ų48.925%0.24827%0.272CS..Hα-helixtrans-67-30.4177.300000113.3I99 I102 M154 L155 Y156I99-A158 HydrophobicContact CG2-CB 4.39Å; I102-A158 HydrophobicContact CG2-CB 4.38Å; M154-A158 PolarHBondContact O-N 2.91Å; L155-A158 PolarHBondContact O-N 3.11Å; L155-A158 VanDerWaalsContact O-N 3.17Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.29Å
159L84.6Confident81.6Confident79 Ų7948.2 Ų48.241%0.41427%0.267SS..Hα-helixtrans-103.5-19.7-178.1-58.7-178.2000114.5L130 L155 Y156 D157 V161L130-L159 HydrophobicContact CD2-CD2 3.72Å; L155-L159 HydrophobicContact CD1-CD1 3.83Å; L155-L159 HydrophobicContact CD1-CD2 4.5Å; L155-L159 HydrophobicContact CD1-CG 3.93Å; L155-L159 HydrophobicContact CD2-CD1 4.36Å; L155-L159 HydrophobicContact CG-CD1 3.83Å; L155-L159 HydrophobicContact CG-CG 4.23Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.46Å; Y156-L159 PolarHBondContact O-N 3.42Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 2.87Å; L159-V161 HydrophobicContact CB-CG2 3.68Å
160D76Confident81.2Confident83 Ų8349.2 Ų49.244%0.44427%0.272SS..THydrogen-bonded Turntrans56.639.7-171.5-152.742.4000114.5K11 Y156K11-D160 IonicContact NZ-OD1 2.63Å; K11-D160 PolarHBondContact NZ-OD1 2.79Å; K11-D160 IonicContact NZ-OD2 2.97Å; Y156-D160 VanDerWaalsContact O-CA 3.26Å; Y156-D160 WeakPolarHBondContact O-CA 3.28Å; Y156-D160 PolarHBondContact O-N 3.32Å
161V53.3Low80.7Confident91 Ų9155.3 Ų55.355%0.55231%0.305SS*.  trans-99.1105.1-172.6177.20000113.3Y156 L159 L163Y156-V161 WeakPolarHBondContact CD2-O 3.34Å; Y156-V161 WeakPolarHBondContact CE2-O 3.18Å; L159-V161 HydrophobicContact CB-CG2 3.68Å; V161-L163 PolarHBondContact O-N 2.89Å
162N42.4Very low80.3Confident131 Ų13156.9 Ų56.970%0.70132%0.316SS*.  trans-36.7124.6-179.2-64.8-51.2000117.7
163L53.2Low80Confident53 Ų5363.9 Ų63.928%0.27735%0.353SS..  trans-112.1139.7171.7-75.3170.8000111Y156 V161 I166Y156-L163 HydrophobicContact CD2-CB 4.33Å; Y156-L163 HydrophobicContact CD2-CD1 3.71Å; Y156-L163 HydrophobicContact CD2-CG 3.75Å; Y156-L163 HydrophobicContact CE2-CB 4.22Å; Y156-L163 HydrophobicContact CE2-CD1 4.4Å; Y156-L163 HydrophobicContact CE2-CG 4.1Å; Y156-L163 HydrophobicContact CG-CD1 4.39Å; V161-L163 PolarHBondContact O-N 2.89Å; L163-I166 HydrophobicContact CB-CD1 3.92Å; L163-I166 HydrophobicContact CB-CG1 3.89Å; L163-I166 WeakPolarHBondContact O-CG1 3.4Å
164P61.1Low79.8Confident106 Ų10670 Ų7069%0.68838%0.376SS*.SBendtrans-62.1-42.7-176.2-23.432.4000117.1I166 K167P164-I166 VanDerWaalsContact C-N 3.31Å; P164-I166 PolarHBondContact O-N 2.87Å; P164-K167 WeakPolarHBondContact O-CB 3.06Å; P164-K167 PolarHBondContact O-N 2.84Å; P164-K167 VanDerWaalsContact O-N 3.09Å
165P61.6Low79.6Confident85 Ų8571.6 Ų71.655%0.55238%0.382SS*.THydrogen-bonded Turntrans-65.1-32.9-174.7-2434.8000113.8Y23 K167Y23-P165 HydrophobicContact CD2-CB 4.25Å; P165-K167 VanDerWaalsContact C-N 3.25Å; P165-K167 PolarHBondContact O-N 3.04Å
166I77.6Confident79.5Confident4 Ų471.7 Ų71.72%0.02138%0.383CS..THydrogen-bonded Turntrans-83.41178.459.2170.5000112.6L19 F153 Y156 L163 P164 N168 Y169 L170L19-I166 HydrophobicContact CD2-CB 4.41Å; L19-I166 HydrophobicContact CD2-CD1 3.68Å; L19-I166 HydrophobicContact CD2-CG2 4.29Å; F153-I166 HydrophobicContact CE1-CG2 4.49Å; Y156-I166 HydrophobicContact CD2-CD1 4.22Å; Y156-I166 HydrophobicContact CE1-CD1 4.04Å; Y156-I166 HydrophobicContact CE2-CD1 3.57Å; L163-I166 HydrophobicContact CB-CD1 3.92Å; L163-I166 HydrophobicContact CB-CG1 3.89Å; L163-I166 WeakPolarHBondContact O-CG1 3.4Å; P164-I166 VanDerWaalsContact C-N 3.31Å; P164-I166 PolarHBondContact O-N 2.87Å; I166-N168 PolarHBondContact O-N 3.28Å; I166-Y169 WeakPolarHBondContact O-CA 3.26Å; I166-Y169 WeakPolarHBondContact O-CB 3.25Å; I166-Y169 PolarHBondContact O-N 2.99Å; I166-L170 HydrophobicContact CD1-CD1 3.96Å; I166-L170 HydrophobicContact CD1-CD2 4.38Å; I166-L170 HydrophobicContact CD1-CG 4.25Å; I166-L170 HydrophobicContact CG1-CD1 3.97Å; I166-L170 HydrophobicContact CG1-CG 4.22Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 2.87Å
167K81.6Confident79.4Confident132 Ų13278.3 Ų78.357%0.57441%0.411SS*.Hα-helixtrans-56.7-36.6-177-176176.9-180-178.40112.5P164 P165 N171P164-K167 WeakPolarHBondContact O-CB 3.06Å; P164-K167 PolarHBondContact O-N 2.84Å; P164-K167 VanDerWaalsContact O-N 3.09Å; P165-K167 VanDerWaalsContact C-N 3.25Å; P165-K167 PolarHBondContact O-N 3.04Å; K167-N171 WeakPolarHBondContact CG-ND2 3.33Å; K167-N171 PolarHBondContact O-N 2.71Å; K167-N171 VanDerWaalsContact O-N 3.16Å; K167-N171 PolarHBondContact O-ND2 3.05Å
168N84.6Confident79.5Confident139 Ų13979.9 Ų79.974%0.74342%0.416SS*.Hα-helixtrans-65.7-42.9175.9-71-13.8000111.4I166 N171 S172I166-N168 PolarHBondContact O-N 3.28Å; N168-N171 PolarHBondContact O-N 2.61Å; N168-S172 WeakPolarHBondContact O-CB 3.48Å; N168-S172 PolarHBondContact O-N 3.19Å; N168-S172 VanDerWaalsContact O-N 3.08Å
169Y87.6Confident79.9Confident4 Ų478.6 Ų78.62%0.01641%0.405CS..Hα-helixtrans-62.4-48.7174.8168.2-113.5000111.5Q15 R18 L19 E22 I166 N171 S172 R174 Y175Q15-Y169 PolarHBondContact NE2-OH 3.31Å; R18-Y169 WeakPolarHBondContact CD-OH 3.31Å; L19-Y169 HydrophobicContact CD2-CD1 3.92Å; L19-Y169 HydrophobicContact CD2-CE1 3.8Å; E22-Y169 HydrophobicContact CB-CG 4.2Å; E22-Y169 HydrophobicContact CG-CD1 4.26Å; E22-Y169 HydrophobicContact CG-CD2 3.58Å; E22-Y169 HydrophobicContact CG-CE2 4.08Å; E22-Y169 HydrophobicContact CG-CG 3.68Å; E22-Y169 WeakPolarHBondContact OE1-CD2 3.3Å; I166-Y169 WeakPolarHBondContact O-CA 3.26Å; I166-Y169 WeakPolarHBondContact O-CB 3.25Å; I166-Y169 PolarHBondContact O-N 2.99Å; Y169-N171 PolarHBondContact O-N 3.29Å; Y169-N171 VanDerWaalsContact O-N 3.14Å; Y169-S172 VanDerWaalsContact O-CB 3.27Å; Y169-S172 WeakPolarHBondContact O-CB 3.22Å; Y169-S172 PolarHBondContact O-N 3.1Å; Y169-S172 PolarHBondContact O-OG 3.09Å; Y169-R174 HydrophobicContact CE2-CB 4.33Å; Y169-Y175 HydrophobicContact CD1-CD2 4.25Å; Y169-Y175 AromaticContact CE1-CD2 3.58Å; Y169-Y175 HydrophobicContact CE1-CD2 3.58Å; Y169-Y175 HydrophobicContact CE1-CE2 4.24Å; Y169-Y175 AromaticContact CZ-CD2 3.79Å; Y169-Y175 VanDerWaalsContact O-CB 3.32Å; Y169-Y175 WeakPolarHBondContact O-CB 3.14Å
170L87.5Confident80.3Confident28 Ų2877.1 Ų77.115%0.14740%0.397CS..Hα-helixtrans-59.8-26.6179.9-63.2177.8000113.4Y156 I166 Y175Y156-L170 WeakPolarHBondContact OH-CD1 3.3Å; I166-L170 HydrophobicContact CD1-CD1 3.96Å; I166-L170 HydrophobicContact CD1-CD2 4.38Å; I166-L170 HydrophobicContact CD1-CG 4.25Å; I166-L170 HydrophobicContact CG1-CD1 3.97Å; I166-L170 HydrophobicContact CG1-CG 4.22Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 2.87Å; L170-Y175 HydrophobicContact CD2-CD2 3.88Å; L170-Y175 HydrophobicContact CD2-CE1 4.24Å; L170-Y175 HydrophobicContact CD2-CE2 3.5Å; L170-Y175 VanDerWaalsContact CD2-CE2 3.5Å; L170-Y175 HydrophobicContact CD2-CG 4.39Å; L170-Y175 WeakPolarHBondContact O-CD1 3.46Å
171N87.6Confident81.1Confident127 Ų12773.5 Ų73.568%0.67938%0.378SS*.THydrogen-bonded Turntrans-96.8-0.6175.7-67.1-56.1000113.5K167 N168 Y169K167-N171 WeakPolarHBondContact CG-ND2 3.33Å; K167-N171 PolarHBondContact O-N 2.71Å; K167-N171 VanDerWaalsContact O-N 3.16Å; K167-N171 PolarHBondContact O-ND2 3.05Å; N168-N171 PolarHBondContact O-N 2.61Å; Y169-N171 PolarHBondContact O-N 3.29Å; Y169-N171 VanDerWaalsContact O-N 3.14Å
172S89.6Confident83Confident33 Ų3369.7 Ų69.723%0.23136%0.357CS..SBendtrans-81.6160.7179.278.80000111.8N168 Y169 R174 Y175N168-S172 WeakPolarHBondContact O-CB 3.48Å; N168-S172 PolarHBondContact O-N 3.19Å; N168-S172 VanDerWaalsContact O-N 3.08Å; Y169-S172 VanDerWaalsContact O-CB 3.27Å; Y169-S172 WeakPolarHBondContact O-CB 3.22Å; Y169-S172 PolarHBondContact O-N 3.1Å; Y169-S172 PolarHBondContact O-OG 3.09Å; S172-R174 PolarHBondContact O-N 2.95Å; S172-R174 PolarHBondContact OG-N 2.83Å; S172-Y175 PolarHBondContact O-N 2.93Å
173N91.5Very high85.6Confident162 Ų16265.2 Ų65.287%0.86633%0.33SS*.THydrogen-bonded Turntrans-70.5-9.2171.164.4-8.7000113.9
174R91.7Very high87.7Confident131 Ų13167.6 Ų67.649%0.49435%0.351SS..THydrogen-bonded Turntrans-82.2-19.3174.8-59.8-163.4-61.8-103.63.7112.6E22 Y169 S172 I176E22-R174 VanDerWaalsContact CD-NH2 3.33Å; E22-R174 IonicContact OE1-CZ 3.06Å; E22-R174 IonicContact OE1-NE 3.75Å; E22-R174 PolarHBondContact OE1-NE 2.83Å; E22-R174 IonicContact OE1-NH2 3.32Å; E22-R174 PolarHBondContact OE1-NH2 2.91Å; E22-R174 IonicContact OE2-NH2 2.69Å; E22-R174 PolarHBondContact OE2-NH2 2.95Å; Y169-R174 HydrophobicContact CE2-CB 4.33Å; S172-R174 PolarHBondContact O-N 2.95Å; S172-R174 PolarHBondContact OG-N 2.83Å; R174-I176 PolarHBondContact O-N 2.6Å
175Y92.5Very high89.3Confident42 Ų4263 Ų6317%0.16532%0.322CS..  trans-71.6120.9-176.2176.6-120000112K11 Y169 L170 S172 K177K11-Y175 VanDerWaalsContact CE-OH 3.27Å; K11-Y175 WeakPolarHBondContact CE-OH 3.42Å; K11-Y175 PolarHBondContact NZ-OH 2.78Å; K11-Y175 VanDerWaalsContact NZ-OH 3.14Å; Y169-Y175 HydrophobicContact CD1-CD2 4.25Å; Y169-Y175 AromaticContact CE1-CD2 3.58Å; Y169-Y175 HydrophobicContact CE1-CD2 3.58Å; Y169-Y175 HydrophobicContact CE1-CE2 4.24Å; Y169-Y175 AromaticContact CZ-CD2 3.79Å; Y169-Y175 VanDerWaalsContact O-CB 3.32Å; Y169-Y175 WeakPolarHBondContact O-CB 3.14Å; L170-Y175 HydrophobicContact CD2-CD2 3.88Å; L170-Y175 HydrophobicContact CD2-CE1 4.24Å; L170-Y175 HydrophobicContact CD2-CE2 3.5Å; L170-Y175 VanDerWaalsContact CD2-CE2 3.5Å; L170-Y175 HydrophobicContact CD2-CG 4.39Å; L170-Y175 WeakPolarHBondContact O-CD1 3.46Å; S172-Y175 PolarHBondContact O-N 2.93Å; Y175-K177 HydrophobicContact CD1-CB 4.08Å; Y175-K177 HydrophobicContact CE1-CB 3.67Å; Y175-K177 HydrophobicContact CE1-CG 3.93Å; Y175-K177 PolarHBondContact O-N 3.29Å
176I92.4Very high90.9Very high14 Ų1462.9 Ų62.97%0.07232%0.32CS..  trans-88.3101.3172.6-63.7162.2000108.1K9 K11 L32 R174 W178K9-I176 HydrophobicContact CG-CD1 3.92Å; K9-I176 HydrophobicContact CG-CG1 4.29Å; K11-I176 WeakPolarHBondContact CE-O 3.48Å; K11-I176 WeakPolarHBondContact CG-O 3.29Å; L32-I176 HydrophobicContact CD1-CD1 4.27Å; L32-I176 HydrophobicContact CD2-CD1 4.18Å; R174-I176 PolarHBondContact O-N 2.6Å; I176-W178 WeakPolarHBondContact CG2-O 3.37Å
177K92.3Very high91.5Very high151 Ų15166.7 Ų66.766%0.65734%0.337SS*.  trans-77.2-31.2177.6-170.2174-178.8178.40112.9K11 Y175K11-K177 WeakPolarHBondContact CE-O 3.4Å; Y175-K177 HydrophobicContact CD1-CB 4.08Å; Y175-K177 HydrophobicContact CE1-CB 3.67Å; Y175-K177 HydrophobicContact CE1-CG 3.93Å; Y175-K177 PolarHBondContact O-N 3.29Å
178W93.2Very high92Very high52 Ų5260.7 Ų60.720%0.19731%0.312CS..SBendtrans-153.7150-175.4-165.9-93.4000110.1I176 L180 G189 G190 A192 P193I176-W178 WeakPolarHBondContact CG2-O 3.37Å; W178-L180 HydrophobicContact CE3-CD2 4.15Å; W178-L180 HydrophobicContact CE3-CG 3.91Å; W178-L180 HydrophobicContact CH2-CD1 4.39Å; W178-L180 HydrophobicContact CH2-CG 4.27Å; W178-L180 HydrophobicContact CZ3-CD1 3.87Å; W178-L180 HydrophobicContact CZ3-CD2 4.2Å; W178-L180 HydrophobicContact CZ3-CG 3.61Å; W178-G189 VanDerWaalsContact CE2-O 3.25Å; W178-G189 WeakPolarHBondContact CZ2-O 3.31Å; W178-G189 PolarHBondContact NE1-O 2.84Å; W178-G190 PolarHBondContact NE1-O 2.92Å; W178-A192 VanDerWaalsContact CD1-C 3.5Å; W178-A192 VanDerWaalsContact NE1-C 3.27Å; W178-A192 PolarHBondContact NE1-O 2.87Å; W178-P193 HydrophobicContact CB-CG 4.37Å; W178-P193 HydrophobicContact CD2-CB 4.27Å; W178-P193 HydrophobicContact CD2-CG 3.78Å; W178-P193 HydrophobicContact CE3-CB 4.15Å; W178-P193 HydrophobicContact CE3-CG 3.78Å; W178-P193 HydrophobicContact CG-CG 4.04Å; W178-P193 HydrophobicContact CH2-CB 4.41Å; W178-P193 HydrophobicContact CZ3-CB 4.2Å; W178-P193 HydrophobicContact CZ3-CG 4.33Å
179P95.4Very high92.5Very high3 Ų354.5 Ų54.52%0.01928%0.281CS..  cis-77.5161.6-3.631.6-35000114.4I10 K11 Q181 W183 G188I10-P179 HydrophobicContact CB-CG 3.92Å; I10-P179 HydrophobicContact CG2-CG 3.46Å; I10-P179 VanDerWaalsContact CG2-CG 3.46Å; K11-P179 PolarHBondContact N-O 2.89Å; P179-Q181 VanDerWaalsContact CB-O 3.31Å; P179-Q181 WeakPolarHBondContact CB-O 2.98Å; P179-Q181 VanDerWaalsContact CG-O 3.24Å; P179-Q181 WeakPolarHBondContact CG-O 3.46Å; P179-W183 HydrophobicContact CG-CD2 4.44Å; P179-W183 HydrophobicContact CG-CG 4.24Å; P179-G188 VanDerWaalsContact CB-O 3.23Å; P179-G188 WeakPolarHBondContact CB-O 3.21Å
180L93.2Very high92.8Very high48 Ų4855.6 Ų55.625%0.25129%0.293SS..SBendtrans-74.7-41.2175-54.3-177.9000110.9K11 G12 W178 G188K11-L180 HydrophobicContact CD-CD2 3.81Å; G12-L180 WeakPolarHBondContact CA-O 3.39Å; G12-L180 PolarHBondContact N-O 2.87Å; W178-L180 HydrophobicContact CE3-CD2 4.15Å; W178-L180 HydrophobicContact CE3-CG 3.91Å; W178-L180 HydrophobicContact CH2-CD1 4.39Å; W178-L180 HydrophobicContact CH2-CG 4.27Å; W178-L180 HydrophobicContact CZ3-CD1 3.87Å; W178-L180 HydrophobicContact CZ3-CD2 4.2Å; W178-L180 HydrophobicContact CZ3-CG 3.61Å; L180-G188 PolarHBondContact N-O 3.09Å
181Q93.1Very high93.2Very high8 Ų859.6 Ų59.64%0.03732%0.315CS..SBendtrans-111.2-169176.1-52.8-63.36.500109.8R103 S107 A110 Y111 P179 A185 G188R103-Q181 VanDerWaalsContact NH2-OE1 3.08Å; S107-Q181 PolarHBondContact OG-NE2 3.17Å; S107-Q181 PolarHBondContact OG-OE1 3Å; A110-Q181 HydrophobicContact CB-CG 3.99Å; Y111-Q181 HydrophobicContact CE2-CB 4.36Å; P179-Q181 VanDerWaalsContact CB-O 3.31Å; P179-Q181 WeakPolarHBondContact CB-O 2.98Å; P179-Q181 VanDerWaalsContact CG-O 3.24Å; P179-Q181 WeakPolarHBondContact CG-O 3.46Å; Q181-A185 HydrophobicContact CB-CB 3.67Å; Q181-A185 HydrophobicContact CG-CB 4.35Å; Q181-G188 PolarHBondContact N-O 2.84Å
182G94.3Very high93.5Very high10 Ų1056.7 Ų56.710%0.10331%0.308CS..  trans-65.1152.5169.700000111.4Y111 S184 A185 G189Y111-G182 PolarHBondContact OH-N 3.34Å; G182-S184 PolarHBondContact O-N 3.1Å; G182-A185 VanDerWaalsContact O-CB 3.31Å; G182-A185 WeakPolarHBondContact O-CB 3.23Å; G182-A185 PolarHBondContact O-N 3.27Å; G182-G189 WeakPolarHBondContact O-CA 3.16Å
183W97Very high93.7Very high38 Ų3858.5 Ų58.514%0.14432%0.32CS..THydrogen-bonded Turntrans-54.9-25.7-176.9-62-87.6000114.8W8 K9 I10 R35 P179 G190 D191W8-W183 HydrophobicContact CB-CH2 4.23Å; W8-W183 HydrophobicContact CB-CZ3 4.15Å; W8-W183 HydrophobicContact CD2-CZ3 4.49Å; W8-W183 HydrophobicContact CE3-CZ3 4.16Å; K9-W183 HydrophobicContact CB-CH2 4.21Å; K9-W183 HydrophobicContact CB-CZ2 4.1Å; K9-W183 WeakPolarHBondContact O-CZ2 3.39Å; I10-W183 HydrophobicContact CG2-CD2 4.15Å; I10-W183 HydrophobicContact CG2-CE3 4.13Å; I10-W183 HydrophobicContact CG2-CH2 3.76Å; I10-W183 HydrophobicContact CG2-CZ2 3.77Å; I10-W183 HydrophobicContact CG2-CZ3 3.94Å; R35-W183 HydrophobicContact CB-CD2 3.66Å; R35-W183 HydrophobicContact CB-CE3 3.89Å; R35-W183 HydrophobicContact CB-CG 4.09Å; R35-W183 HydrophobicContact CB-CH2 4.3Å; R35-W183 HydrophobicContact CB-CZ2 4.1Å; R35-W183 HydrophobicContact CB-CZ3 4.21Å; R35-W183 HydrophobicContact CG-CB 4.03Å; R35-W183 HydrophobicContact CG-CD2 3.78Å; R35-W183 HydrophobicContact CG-CE3 4.01Å; R35-W183 HydrophobicContact CG-CG 3.79Å; P179-W183 HydrophobicContact CG-CD2 4.44Å; P179-W183 HydrophobicContact CG-CG 4.24Å; W183-G190 PolarHBondContact O-N 3.08Å; W183-D191 VanDerWaalsContact CD1-OD1 3.29Å
184S96.1Very high93.5Very high103 Ų10355.9 Ų55.972%0.7231%0.312SS*.THydrogen-bonded Turntrans-83.3-4.8179.557.20000114.8G182G182-S184 PolarHBondContact O-N 3.1Å
185A95.1Very high93.2Very high10 Ų1063 Ų638%0.08335%0.346CS..  trans-66.2141.1178.500000111.3A110 Y111 Q181 G182 F187A110-A185 CarbonylContact O-C 3.56Å; Y111-A185 HydrophobicContact CD1-CB 3.73Å; Y111-A185 HydrophobicContact CE1-CB 3.66Å; Y111-A185 HydrophobicContact CG-CB 4.23Å; Q181-A185 HydrophobicContact CB-CB 3.67Å; Q181-A185 HydrophobicContact CG-CB 4.35Å; G182-A185 VanDerWaalsContact O-CB 3.31Å; G182-A185 WeakPolarHBondContact O-CB 3.23Å; G182-A185 PolarHBondContact O-N 3.27Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 VanDerWaalsContact CB-O 3.3Å; A185-F187 WeakPolarHBondContact CB-O 3.48Å
186T94.2Very high93.3Very high82 Ų8264 Ų6450%0.50336%0.355SS..SBendtrans-65.8-36.7171.8-55.80000111.2A110 N112 F115A110-T186 WeakPolarHBondContact O-CA 3.31Å; A110-T186 WeakPolarHBondContact O-CB 3.48Å; A110-T186 PolarHBondContact O-N 2.93Å; N112-T186 PolarHBondContact O-OG1 3.29Å; F115-T186 HydrophobicContact CB-CG2 3.84Å; F115-T186 HydrophobicContact CD1-CG2 4.44Å; F115-T186 HydrophobicContact CG-CG2 4.4Å
187F91.7Very high93.3Very high84 Ų8466.6 Ų66.637%0.36837%0.37SS..SBendtrans-115.2134.7172.8174.4-101000111.6V106 A110 F115 A185 G189V106-F187 HydrophobicContact CG1-CD1 4.05Å; V106-F187 HydrophobicContact CG1-CE1 3.89Å; A110-F187 HydrophobicContact CB-CB 4.21Å; A110-F187 HydrophobicContact CB-CD1 4.36Å; A110-F187 PolarHBondContact O-N 3.21Å; A110-F187 VanDerWaalsContact O-N 3.08Å; F115-F187 HydrophobicContact CD1-CB 3.98Å; F115-F187 HydrophobicContact CD2-CB 3.79Å; F115-F187 HydrophobicContact CE1-CB 3.6Å; F115-F187 AromaticContact CE1-CD2 3.85Å; F115-F187 HydrophobicContact CE1-CD2 3.85Å; F115-F187 AromaticContact CE1-CG 3.95Å; F115-F187 HydrophobicContact CE1-CG 3.95Å; F115-F187 HydrophobicContact CE2-CB 3.39Å; F115-F187 HydrophobicContact CE2-CD1 4.13Å; F115-F187 HydrophobicContact CE2-CD2 4.3Å; F115-F187 AromaticContact CE2-CG 3.69Å; F115-F187 HydrophobicContact CE2-CG 3.69Å; F115-F187 HydrophobicContact CG-CB 4.06Å; F115-F187 HydrophobicContact CZ-CB 3.29Å; F115-F187 HydrophobicContact CZ-CD1 4.08Å; F115-F187 AromaticContact CZ-CD2 3.47Å; F115-F187 HydrophobicContact CZ-CD2 3.47Å; F115-F187 VanDerWaalsContact CZ-CD2 3.47Å; F115-F187 HydrophobicContact CZ-CE2 4.31Å; F115-F187 AromaticContact CZ-CG 3.33Å; F115-F187 HydrophobicContact CZ-CG 3.33Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 VanDerWaalsContact CB-O 3.3Å; A185-F187 WeakPolarHBondContact CB-O 3.48Å; F187-G189 PolarHBondContact O-N 3.04Å
188G92.3Very high93.4Very high5 Ų561.9 Ų61.95%0.05235%0.354CS..SBendtrans69.712.8178.400000114.5P179 L180 Q181P179-G188 VanDerWaalsContact CB-O 3.23Å; P179-G188 WeakPolarHBondContact CB-O 3.21Å; L180-G188 PolarHBondContact N-O 3.09Å; Q181-G188 PolarHBondContact N-O 2.84Å
189G93.6Very high93.4Very high10 Ų1062.5 Ų62.510%0.10336%0.363CS..  trans-100.3-160.7174.800000113W178 G182 F187W178-G189 VanDerWaalsContact CE2-O 3.25Å; W178-G189 WeakPolarHBondContact CZ2-O 3.31Å; W178-G189 PolarHBondContact NE1-O 2.84Å; G182-G189 WeakPolarHBondContact O-CA 3.16Å; F187-G189 PolarHBondContact O-N 3.04Å
190G95.3Very high93.3Very high26 Ų2666.3 Ų66.327%0.26839%0.385SS..SBendtrans71.1176.3-174.800000114.1W178 W183W178-G190 PolarHBondContact NE1-O 2.92Å; W183-G190 PolarHBondContact O-N 3.08Å
191D95.5Very high93.3Very high112 Ų11267.5 Ų67.560%0.59939%0.393SS*.SBendtrans-89-12.8-175.8-53.9-44.3000113R35 W183R35-D191 IonicContact CZ-OD1 3.61Å; R35-D191 IonicContact NH1-OD1 3.8Å; R35-D191 PolarHBondContact NH1-OD1 3.43Å; R35-D191 IonicContact NH1-OD2 3.3Å; R35-D191 PolarHBondContact NH1-OD2 2.98Å; W183-D191 VanDerWaalsContact CD1-OD1 3.29Å
192A94.3Very high93.3Very high66 Ų6671.7 Ų71.755%0.54542%0.419SS..SBendtrans-144.8154.7177.100000110.8W178W178-A192 VanDerWaalsContact CD1-C 3.5Å; W178-A192 VanDerWaalsContact NE1-C 3.27Å; W178-A192 PolarHBondContact NE1-O 2.87Å
193P92.2Very high93.2Very high72 Ų7276.5 Ų76.547%0.46844%0.443SS..  trans-55.3145.7171.6-22.732.3000111.7W178W178-P193 HydrophobicContact CB-CG 4.37Å; W178-P193 HydrophobicContact CD2-CB 4.27Å; W178-P193 HydrophobicContact CD2-CG 3.78Å; W178-P193 HydrophobicContact CE3-CB 4.15Å; W178-P193 HydrophobicContact CE3-CG 3.78Å; W178-P193 HydrophobicContact CG-CG 4.04Å; W178-P193 HydrophobicContact CH2-CB 4.41Å; W178-P193 HydrophobicContact CZ3-CB 4.2Å; W178-P193 HydrophobicContact CZ3-CG 4.33Å
194P88.7Confident92.9Very high107 Ų10779.7 Ų79.770%0.69547%0.468SS*.  trans-60.1150170.528.1-34000110.2
195K85.6Confident92.6Very high279 Ų27977.5 Ų77.5100%1.21345%0.445SS*.  trans-81.40175.1-69.3-176179.4179.50111.6

Retrieved 195 of 195 residues in 234.3 ms (Link to these results)

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