A0A060ZDN4_ONCMY Loading...

Oxaloacetate tautomerase FAHD1, mitochondrial

AlphaFold DB , UniProt , Accession A0A060ZDN4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486843, Length 218 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
1M50.3Low87.1Confident243 Ų24397.3 Ų97.3100%1.19750%0.495SS*.  0118.50-73.7177.5-17900107S3M1-S3 PolarHBondContact O-N 2.87Å
2T56.7Low87.9Confident138 Ų13892.4 Ų92.485%0.84747%0.466SS*.PPolyproline II helixtrans-62.7124170.133.30000108.2R4T2-R4 PolarHBondContact O-N 2.84Å
3S77.6Confident88.7Confident113 Ų11385.7 Ų85.779%0.7943%0.434SS*.PPolyproline II helixtrans-51129.5171.51540000108.6M1M1-S3 PolarHBondContact O-N 2.87Å
4R90.4Very high89.3Confident125 Ų12587.1 Ų87.147%0.47244%0.436SS..PPolyproline II helixtrans-71.9140.8175.8-65.4-177.2177.6-175.3-7.4108.3T2 I6 W12T2-R4 PolarHBondContact O-N 2.84Å; R4-I6 PolarHBondContact O-N 3.24Å; R4-I6 VanDerWaalsContact O-N 3.13Å; R4-W12 HydrophobicContact CB-CD2 3.94Å; R4-W12 HydrophobicContact CB-CE3 4.38Å; R4-W12 HydrophobicContact CB-CG 4.4Å; R4-W12 HydrophobicContact CB-CH2 3.99Å; R4-W12 HydrophobicContact CB-CZ2 3.59Å; R4-W12 HydrophobicContact CB-CZ3 4.36Å; R4-W12 VanDerWaalsContact CD-CD2 3.42Å; R4-W12 HydrophobicContact CG-CD2 4.3Å; R4-W12 VanDerWaalsContact NH1-CE3 3.25Å; R4-W12 PolarHBondContact NH1-O 2.83Å
5N95.4Very high89.9Confident90 Ų9083.5 Ų83.548%0.48142%0.416SS..  trans-74.2107.7178.2-176.22.3000109.9S7 R8 W12N5-S7 VanDerWaalsContact CG-OG 3.3Å; N5-S7 PolarHBondContact ND2-OG 3.07Å; N5-S7 PolarHBondContact O-N 2.96Å; N5-S7 WeakPolarHBondContact OD1-CB 3.36Å; N5-S7 PolarHBondContact OD1-N 3.24Å; N5-S7 PolarHBondContact OD1-OG 3.02Å; N5-R8 PolarHBondContact O-N 2.98Å; N5-W12 PolarHBondContact O-NE1 2.78Å
6I97.4Very high90.5Very high37 Ų3778.3 Ų78.319%0.1939%0.39CS..G310 helixtrans-62.9-23.5178.5-160.165.7000112.8R4 R8 F9 W12 V73 A91 F130 E180R4-I6 PolarHBondContact O-N 3.24Å; R4-I6 VanDerWaalsContact O-N 3.13Å; I6-R8 PolarHBondContact O-N 2.97Å; I6-R8 VanDerWaalsContact O-N 3.09Å; I6-F9 HydrophobicContact CD1-CB 4.24Å; I6-F9 WeakPolarHBondContact O-CB 3.49Å; I6-F9 PolarHBondContact O-N 3.03Å; I6-F9 VanDerWaalsContact O-N 3.13Å; I6-W12 HydrophobicContact CD1-CH2 3.79Å; I6-W12 HydrophobicContact CD1-CZ2 3.72Å; I6-V73 HydrophobicContact CD1-CG1 3.87Å; I6-V73 HydrophobicContact CG1-CG1 4.15Å; I6-A91 HydrophobicContact CD1-CB 4.31Å; I6-A91 HydrophobicContact CG1-CB 3.73Å; I6-F130 HydrophobicContact CG1-CE2 4.25Å; I6-F130 HydrophobicContact CG1-CZ 4.43Å; I6-F130 HydrophobicContact CG2-CE1 4.21Å; I6-F130 HydrophobicContact CG2-CZ 4.15Å; I6-E180 HydrophobicContact CD1-CG 4.49Å
7S97.5Very high91Very high47 Ų4773.6 Ų73.633%0.32937%0.367SS..G310 helixtrans-66.4-11.8175.289.40000113.1N5 W10N5-S7 VanDerWaalsContact CG-OG 3.3Å; N5-S7 PolarHBondContact ND2-OG 3.07Å; N5-S7 PolarHBondContact O-N 2.96Å; N5-S7 WeakPolarHBondContact OD1-CB 3.36Å; N5-S7 PolarHBondContact OD1-N 3.24Å; N5-S7 PolarHBondContact OD1-OG 3.02Å; S7-W10 WeakPolarHBondContact O-CH2 3.43Å; S7-W10 VanDerWaalsContact O-CZ3 3.26Å; S7-W10 WeakPolarHBondContact O-CZ3 2.97Å
8R97.6Very high91.4Very high125 Ų12569.6 Ų69.647%0.47235%0.347SS..G310 helixtrans-123.236.5175.5-61178.272.7177.1-0.1111N5 I6 W10 E11 W12N5-R8 PolarHBondContact O-N 2.98Å; I6-R8 PolarHBondContact O-N 2.97Å; I6-R8 VanDerWaalsContact O-N 3.09Å; R8-W10 HydrophobicContact CB-CZ2 4.25Å; R8-W10 HydrophobicContact CG-CZ2 4.13Å; R8-W10 PolarHBondContact O-N 3.13Å; R8-W10 VanDerWaalsContact O-N 3.09Å; R8-E11 HydrophobicContact CB-CG 4.44Å; R8-E11 VanDerWaalsContact CZ-CD 3.46Å; R8-E11 IonicContact CZ-OE1 3.44Å; R8-E11 IonicContact CZ-OE2 3Å; R8-E11 IonicContact NE-OE1 2.67Å; R8-E11 PolarHBondContact NE-OE1 2.89Å; R8-E11 IonicContact NE-OE2 2.71Å; R8-E11 PolarHBondContact NE-OE2 3.41Å; R8-E11 IonicContact NH1-OE2 3.99Å; R8-E11 IonicContact NH2-OE1 3.32Å; R8-E11 PolarHBondContact NH2-OE1 3.43Å; R8-E11 IonicContact NH2-OE2 2.61Å; R8-E11 PolarHBondContact NH2-OE2 3.08Å; R8-E11 VanDerWaalsContact NH2-OE2 3.15Å; R8-E11 WeakPolarHBondContact O-CB 3.32Å; R8-E11 PolarHBondContact O-N 3.32Å; R8-W12 VanDerWaalsContact O-CD1 3.28Å; R8-W12 PolarHBondContact O-NE1 3.34Å
9F98.4Very high91.8Very high0 Ų065.9 Ų65.90%033%0.329CS..G310 helixtrans-53.4-31.7-175.172.5-85.1000113.4I6 E11 W12 G13 Y48 V73 A94 V127 F130 L183I6-F9 HydrophobicContact CD1-CB 4.24Å; I6-F9 WeakPolarHBondContact O-CB 3.49Å; I6-F9 PolarHBondContact O-N 3.03Å; I6-F9 VanDerWaalsContact O-N 3.13Å; F9-E11 PolarHBondContact O-N 2.92Å; F9-E11 VanDerWaalsContact O-N 3.09Å; F9-W12 PolarHBondContact O-N 3.09Å; F9-G13 WeakPolarHBondContact O-CA 3.26Å; F9-G13 PolarHBondContact O-N 3.37Å; F9-Y48 AromaticContact CE2-CE1 3.84Å; F9-Y48 HydrophobicContact CE2-CE1 3.84Å; F9-Y48 AromaticContact CE2-CZ 3.79Å; F9-Y48 WeakPolarHBondContact CE2-OH 3.22Å; F9-V73 HydrophobicContact CB-CG1 4.05Å; F9-V73 HydrophobicContact CD1-CG1 4.17Å; F9-V73 HydrophobicContact CD1-CG2 3.94Å; F9-V73 HydrophobicContact CD2-CG1 4.23Å; F9-V73 HydrophobicContact CD2-CG2 4.25Å; F9-V73 HydrophobicContact CE1-CG2 3.71Å; F9-V73 HydrophobicContact CE2-CG2 4.04Å; F9-V73 HydrophobicContact CG-CG1 3.88Å; F9-V73 HydrophobicContact CG-CG2 4.2Å; F9-V73 HydrophobicContact CZ-CG2 3.75Å; F9-A94 HydrophobicContact CE1-CB 4.07Å; F9-A94 HydrophobicContact CZ-CB 3.89Å; F9-V127 HydrophobicContact CE1-CG2 4.47Å; F9-V127 HydrophobicContact CZ-CG2 3.72Å; F9-F130 HydrophobicContact CD1-CB 4.45Å; F9-F130 HydrophobicContact CD1-CD2 4.19Å; F9-F130 HydrophobicContact CE1-CB 4.49Å; F9-F130 HydrophobicContact CE1-CD2 4.43Å; F9-L183 HydrophobicContact CE2-CB 4.14Å; F9-L183 HydrophobicContact CE2-CD1 4.08Å; F9-L183 HydrophobicContact CE2-CD2 4.05Å; F9-L183 HydrophobicContact CE2-CG 4.33Å; F9-L183 HydrophobicContact CZ-CD1 4.26Å; F9-L183 HydrophobicContact CZ-CD2 4.44Å
10W98.2Very high91.9Very high49 Ų4963.2 Ų63.219%0.18632%0.318CS..G310 helixtrans-60.5-17.6177.755.982.7000114.4S7 R8 Y48 T50 V127 F130S7-W10 WeakPolarHBondContact O-CH2 3.43Å; S7-W10 VanDerWaalsContact O-CZ3 3.26Å; S7-W10 WeakPolarHBondContact O-CZ3 2.97Å; R8-W10 HydrophobicContact CB-CZ2 4.25Å; R8-W10 HydrophobicContact CG-CZ2 4.13Å; R8-W10 PolarHBondContact O-N 3.13Å; R8-W10 VanDerWaalsContact O-N 3.09Å; W10-Y48 HydrophobicContact CB-CD1 3.94Å; W10-Y48 HydrophobicContact CB-CD2 3.79Å; W10-Y48 HydrophobicContact CB-CE1 4.3Å; W10-Y48 HydrophobicContact CB-CE2 4.18Å; W10-Y48 HydrophobicContact CB-CG 3.67Å; W10-Y48 WeakPolarHBondContact O-CD2 3.47Å; W10-T50 HydrophobicContact CD2-CG2 3.87Å; W10-T50 HydrophobicContact CG-CG2 3.95Å; W10-T50 HydrophobicContact CZ2-CG2 4.17Å; W10-V127 HydrophobicContact CB-CG1 4.41Å; W10-F130 HydrophobicContact CZ3-CB 4.46Å
11E97.8Very high91.7Very high103 Ų10363.1 Ų63.148%0.48131%0.314SS..G310 helixtrans-84.1-19.6-179.9-68175-17000113.8R8 F9R8-E11 HydrophobicContact CB-CG 4.44Å; R8-E11 VanDerWaalsContact CZ-CD 3.46Å; R8-E11 IonicContact CZ-OE1 3.44Å; R8-E11 IonicContact CZ-OE2 3Å; R8-E11 IonicContact NE-OE1 2.67Å; R8-E11 PolarHBondContact NE-OE1 2.89Å; R8-E11 IonicContact NE-OE2 2.71Å; R8-E11 PolarHBondContact NE-OE2 3.41Å; R8-E11 IonicContact NH1-OE2 3.99Å; R8-E11 IonicContact NH2-OE1 3.32Å; R8-E11 PolarHBondContact NH2-OE1 3.43Å; R8-E11 IonicContact NH2-OE2 2.61Å; R8-E11 PolarHBondContact NH2-OE2 3.08Å; R8-E11 VanDerWaalsContact NH2-OE2 3.15Å; R8-E11 WeakPolarHBondContact O-CB 3.32Å; R8-E11 PolarHBondContact O-N 3.32Å; F9-E11 PolarHBondContact O-N 2.92Å; F9-E11 VanDerWaalsContact O-N 3.09Å
12W97.6Very high93.9Very high39 Ų3951.6 Ų51.615%0.14826%0.257CS..THydrogen-bonded Turntrans-143.4-12-168.460.7-99.8000114.4R4 N5 I6 R8 F9 E180R4-W12 HydrophobicContact CB-CD2 3.94Å; R4-W12 HydrophobicContact CB-CE3 4.38Å; R4-W12 HydrophobicContact CB-CG 4.4Å; R4-W12 HydrophobicContact CB-CH2 3.99Å; R4-W12 HydrophobicContact CB-CZ2 3.59Å; R4-W12 HydrophobicContact CB-CZ3 4.36Å; R4-W12 VanDerWaalsContact CD-CD2 3.42Å; R4-W12 HydrophobicContact CG-CD2 4.3Å; R4-W12 VanDerWaalsContact NH1-CE3 3.25Å; R4-W12 PolarHBondContact NH1-O 2.83Å; N5-W12 PolarHBondContact O-NE1 2.78Å; I6-W12 HydrophobicContact CD1-CH2 3.79Å; I6-W12 HydrophobicContact CD1-CZ2 3.72Å; R8-W12 VanDerWaalsContact O-CD1 3.28Å; R8-W12 PolarHBondContact O-NE1 3.34Å; F9-W12 PolarHBondContact O-N 3.09Å; W12-E180 HydrophobicContact CH2-CB 4.38Å; W12-E180 HydrophobicContact CH2-CG 3.89Å; W12-E180 HydrophobicContact CZ3-CB 4.37Å; W12-E180 HydrophobicContact CZ3-CG 4.37Å; W12-E180 WeakPolarHBondContact CZ3-O 3.5Å
13G97.3Very high95.5Very high5 Ų545.1 Ų45.15%0.05222%0.217CC..  trans-58.5141.8171.400000110.3F9 G181F9-G13 WeakPolarHBondContact O-CA 3.26Å; F9-G13 PolarHBondContact O-N 3.37Å; G13-G181 WeakPolarHBondContact CA-O 3.43Å
14K97.8Very high95.5Very high106 Ų10641.4 Ų41.446%0.46119%0.194SC..  trans-99.8-26.8-164.5-67.8175.3176.8-175.20113.2P45 E179K14-P45 WeakPolarHBondContact O-CG 3.43Å; K14-E179 WeakPolarHBondContact CD-OE1 3.23Å; K14-E179 WeakPolarHBondContact CD-OE2 3.23Å; K14-E179 IonicContact NZ-OE1 3.93Å; K14-E179 PolarHBondContact NZ-OE1 3.44Å; K14-E179 IonicContact NZ-OE2 2.64Å
15K98.3Very high95Very high32 Ų3238.4 Ų38.414%0.13919%0.187CC..  trans-147.5149.7-178.246.3-175-178.6-62.80112.1I17 I176 T177 E179 D182 L183K15-I17 HydrophobicContact CD-CD1 4.22Å; K15-I176 HydrophobicContact CD-CG2 4.04Å; K15-T177 WeakPolarHBondContact CE-O 3.23Å; K15-T177 PolarHBondContact NZ-O 2.71Å; K15-E179 IonicContact NZ-OE2 3.15Å; K15-E179 PolarHBondContact NZ-OE2 2.61Å; K15-D182 WeakPolarHBondContact CE-OD2 3.41Å; K15-D182 HydrophobicContact CG-CB 4.15Å; K15-D182 WeakPolarHBondContact CG-OD1 3.34Å; K15-D182 WeakPolarHBondContact CG-OD2 3.31Å; K15-D182 PolarHBondContact N-OD1 2.74Å; K15-D182 IonicContact NZ-OD1 2.97Å; K15-D182 IonicContact NZ-OD2 3.24Å; K15-D182 PolarHBondContact NZ-OD2 2.92Å; K15-L183 PolarHBondContact O-N 2.78Å; K15-L183 VanDerWaalsContact O-N 3.13Å
16I98.9Very high94Very high0 Ų034.6 Ų34.60%017%0.166CC..EExtended strand (participates in β ladder)trans-119.4112.9172.1-53.4171.3000106L42 K43 A47 Y48 C125 L183 L185I16-L42 WeakPolarHBondContact O-CA 3.43Å; I16-K43 HydrophobicContact CB-CB 3.96Å; I16-K43 HydrophobicContact CD1-CB 4.12Å; I16-K43 HydrophobicContact CG2-CB 4.19Å; I16-K43 HydrophobicContact CG2-CD 4.3Å; I16-K43 HydrophobicContact CG2-CG 4.49Å; I16-K43 PolarHBondContact O-N 3.04Å; I16-A47 HydrophobicContact CD1-CB 4.36Å; I16-Y48 HydrophobicContact CD1-CD1 3.86Å; I16-Y48 HydrophobicContact CD1-CD2 4.03Å; I16-Y48 HydrophobicContact CD1-CE1 3.58Å; I16-Y48 HydrophobicContact CD1-CE2 3.77Å; I16-Y48 HydrophobicContact CD1-CG 4.07Å; I16-Y48 HydrophobicContact CG1-CE1 3.95Å; I16-Y48 HydrophobicContact CG1-CE2 3.89Å; I16-Y48 WeakPolarHBondContact CG1-OH 3.47Å; I16-C125 HydrophobicContact CD1-CB 4.06Å; I16-L183 WeakPolarHBondContact CA-O 3.36Å; I16-L183 HydrophobicContact CG2-CB 4.48Å; I16-L183 HydrophobicContact CG2-CD2 4.23Å; I16-L185 HydrophobicContact CG2-CD1 3.99Å
17I98.9Very high92.7Very high0 Ų032.8 Ų32.80%016%0.157CC..EExtended strand (participates in β ladder)trans-105.4124.8-179-54172.2000107.1K15 L40 L42 I172 I176 L178 L183 I184 L185K15-I17 HydrophobicContact CD-CD1 4.22Å; I17-L40 HydrophobicContact CG2-CD2 4.49Å; I17-L42 HydrophobicContact CB-CD2 4.28Å; I17-L42 HydrophobicContact CG1-CD2 3.77Å; I17-L42 HydrophobicContact CG2-CD2 4.38Å; I17-I172 HydrophobicContact CD1-CG2 3.58Å; I17-I172 HydrophobicContact CG2-CD1 3.96Å; I17-I172 HydrophobicContact CG2-CG1 4.33Å; I17-I172 HydrophobicContact CG2-CG2 4.09Å; I17-I176 HydrophobicContact CD1-CB 4.5Å; I17-I176 HydrophobicContact CD1-CG2 4.19Å; I17-L178 HydrophobicContact CD1-CD2 3.68Å; I17-L183 PolarHBondContact N-O 3.23Å; I17-I184 CarbonylContact O-C 3.46Å; I17-I184 VanDerWaalsContact O-CA 3.22Å; I17-I184 WeakPolarHBondContact O-CA 3.34Å; I17-L185 PolarHBondContact O-N 3.38Å
18C98.9Very high91.5Very high0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-116.7144.8-173.3-52.10000110.4L40 F41 L185C18-L40 WeakPolarHBondContact O-CA 3.47Å; C18-F41 HydrophobicContact CB-CD1 4.15Å; C18-F41 HydrophobicContact CB-CD2 3.73Å; C18-F41 HydrophobicContact CB-CE1 3.69Å; C18-F41 HydrophobicContact CB-CE2 3.21Å; C18-F41 HydrophobicContact CB-CG 4.16Å; C18-F41 HydrophobicContact CB-CZ 3.17Å; C18-F41 PolarHBondContact N-O 3.13Å; C18-F41 PolarHBondContact O-N 3.09Å; C18-F41 VanDerWaalsContact O-N 3.13Å; C18-L185 HydrophobicContact CB-CB 4Å
19V98.3Very high90.5Very high0 Ų035.2 Ų35.20%017%0.167CC..EExtended strand (participates in β ladder)trans-112.1112.6-178.6-176.40000110.3N22 P38 V39 L40 L168 I172 I184 L185 G187V19-N22 HydrophobicContact CG1-CB 4.06Å; V19-P38 HydrophobicContact CG1-CB 3.95Å; V19-V39 CarbonylContact C-O 3.52Å; V19-V39 WeakPolarHBondContact CA-O 3.31Å; V19-L40 HydrophobicContact CG2-CD2 3.9Å; V19-L168 HydrophobicContact CG1-CD2 3.95Å; V19-L168 HydrophobicContact CG2-CD1 4.1Å; V19-L168 HydrophobicContact CG2-CD2 3.91Å; V19-I172 HydrophobicContact CG2-CD1 4.25Å; V19-I184 HydrophobicContact CG2-CG2 4.36Å; V19-L185 WeakPolarHBondContact CB-O 3.5Å; V19-L185 WeakPolarHBondContact CG2-O 3.26Å; V19-L185 PolarHBondContact N-O 2.62Å; V19-G187 VanDerWaalsContact O-CA 3.23Å; V19-G187 WeakPolarHBondContact O-CA 2.93Å; V19-G187 PolarHBondContact O-N 2.91Å
20G93.7Very high89.2Confident12 Ų1237.9 Ų37.912%0.12418%0.181CC..EExtended strand (participates in β ladder)trans-77.2146.7173.800000112.5N22 V39G20-N22 VanDerWaalsContact C-N 3.34Å; G20-N22 PolarHBondContact O-N 3.01Å; G20-V39 PolarHBondContact N-O 3.37Å
21R89.1Confident88.1Confident62 Ų6243.1 Ų43.123%0.23421%0.212CC..THydrogen-bonded Turntrans60.634.5168.5-52.4178.5-178.6175.71.9114.9Y23 N32 P35 I162R21-Y23 VanDerWaalsContact C-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.25Å; R21-N32 VanDerWaalsContact NH2-CG 3.31Å; R21-N32 PolarHBondContact NH2-OD1 2.85Å; R21-P35 HydrophobicContact CB-CG 4.08Å; R21-I162 WeakPolarHBondContact O-CD1 3.41Å
22N95.3Very high87Confident0 Ų039.9 Ų39.90%020%0.198CC..  trans-83.8-1.4180-157.622.5000114.5V19 G20 M161 I162 F163 T186V19-N22 HydrophobicContact CG1-CB 4.06Å; G20-N22 VanDerWaalsContact C-N 3.34Å; G20-N22 PolarHBondContact O-N 3.01Å; N22-M161 CarbonylContact O-C 3.6Å; N22-M161 WeakPolarHBondContact O-CA 3.46Å; N22-I162 PolarHBondContact O-N 3.09Å; N22-I162 PolarHBondContact OD1-N 3.43Å; N22-F163 PolarHBondContact ND2-O 3.07Å; N22-F163 WeakPolarHBondContact OD1-CA 3.47Å; N22-F163 VanDerWaalsContact OD1-CB 3.3Å; N22-F163 WeakPolarHBondContact OD1-CB 3.48Å; N22-F163 VanDerWaalsContact OD1-CD2 3.26Å; N22-F163 WeakPolarHBondContact OD1-CD2 3.41Å; N22-F163 PolarHBondContact OD1-N 3.23Å; N22-F163 PolarHBondContact OD1-O 3.04Å; N22-T186 WeakPolarHBondContact CB-O 3.3Å; N22-T186 PolarHBondContact ND2-O 3.3Å
23Y91.4Very high86Confident2 Ų243.9 Ų43.91%0.00823%0.226CC..BIsolated β-bridgetrans-117.5126.5174.6-74.1-109.5000110R21 D25 H26 A27 C157 Q160 M161 G187 T188 P189R21-Y23 VanDerWaalsContact C-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.25Å; Y23-D25 VanDerWaalsContact C-N 3.33Å; Y23-D25 PolarHBondContact O-N 2.99Å; Y23-H26 PolarHBondContact O-N 3.49Å; Y23-H26 VanDerWaalsContact O-N 3.15Å; Y23-A27 PolarHBondContact O-N 2.88Å; Y23-C157 WeakPolarHBondContact CE1-O 3.33Å; Y23-Q160 HydrophobicContact CD1-CB 3.84Å; Y23-Q160 HydrophobicContact CE1-CB 4.16Å; Y23-M161 HydrophobicContact CD2-CG 4.42Å; Y23-M161 HydrophobicContact CE1-CG 4.43Å; Y23-M161 HydrophobicContact CE2-CE 4Å; Y23-M161 HydrophobicContact CE2-CG 3.78Å; Y23-M161 VanDerWaalsContact OH-CE 3.32Å; Y23-M161 WeakPolarHBondContact OH-CE 3.24Å; Y23-G187 WeakPolarHBondContact CE2-O 3.44Å; Y23-T188 WeakPolarHBondContact CB-O 3.4Å; Y23-T188 VanDerWaalsContact CD2-C 3.49Å; Y23-T188 VanDerWaalsContact CD2-O 3.3Å; Y23-T188 WeakPolarHBondContact CD2-O 3.44Å; Y23-P189 HydrophobicContact CD1-CB 3.91Å; Y23-P189 HydrophobicContact CE1-CB 4.07Å; Y23-P189 HydrophobicContact CG-CB 4.37Å
24A77.6Confident84.8Confident36 Ų3646.9 Ų46.930%0.29824%0.244SC..Hα-helixtrans-59.8-40.7-17400000113.3A27 K28 I162A24-A27 PolarHBondContact O-N 3.15Å; A24-K28 WeakPolarHBondContact O-CG 3.44Å; A24-K28 PolarHBondContact O-N 3.07Å; A24-K28 VanDerWaalsContact O-N 3.16Å; A24-I162 HydrophobicContact CB-CD1 4.39Å; A24-I162 HydrophobicContact CB-CG1 4.35Å
25D79.1Confident83.8Confident61 Ų6142.9 Ų42.933%0.32623%0.228SC..Hα-helixtrans-66.7-37.2178.2-88.213.5000112.4Y23 K28 E29 K190Y23-D25 VanDerWaalsContact C-N 3.33Å; Y23-D25 PolarHBondContact O-N 2.99Å; D25-K28 PolarHBondContact O-N 2.96Å; D25-E29 WeakPolarHBondContact O-CB 3.45Å; D25-E29 PolarHBondContact O-N 2.77Å; D25-K190 HydrophobicContact CB-CB 4.31Å; D25-K190 HydrophobicContact CB-CD 4.11Å; D25-K190 HydrophobicContact CB-CG 4.46Å; D25-K190 IonicContact OD2-NZ 3.04Å; D25-K190 PolarHBondContact OD2-NZ 3.43Å
26H74.4Confident83.2Confident10 Ų1047.7 Ų47.75%0.04626%0.261CS..Hα-helixtrans-71.4-37.8177.1-179.256.7000111.9Y23 K28 E29 L30 T188Y23-H26 PolarHBondContact O-N 3.49Å; Y23-H26 VanDerWaalsContact O-N 3.15Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.44Å; H26-E29 IonicContact CE1-OE2 2.76Å; H26-E29 IonicContact ND1-OE2 2.72Å; H26-E29 PolarHBondContact ND1-OE2 2.85Å; H26-E29 VanDerWaalsContact ND1-OE2 3.08Å; H26-E29 PolarHBondContact O-N 2.97Å; H26-L30 VanDerWaalsContact CE1-CD1 3.42Å; H26-L30 WeakPolarHBondContact CE1-CD1 3.33Å; H26-L30 PolarHBondContact O-N 2.86Å; H26-T188 WeakPolarHBondContact CB-O 3.42Å
27A70.7Confident82.8Confident0 Ų053.1 Ų53.10%029%0.286CS..Hα-helixtrans-58.8-42.3173.300000111.3Y23 A24 N32Y23-A27 PolarHBondContact O-N 2.88Å; A24-A27 PolarHBondContact O-N 3.15Å; A27-N32 PolarHBondContact O-N 2.79Å
28K72Confident82.6Confident141 Ų14153.5 Ų53.561%0.61329%0.288SS*.Hα-helixtrans-67.1-43.2175.5-70.1174.4-176.2173.30112.9A24 D25 H26 L30 N31A24-K28 WeakPolarHBondContact O-CG 3.44Å; A24-K28 PolarHBondContact O-N 3.07Å; A24-K28 VanDerWaalsContact O-N 3.16Å; D25-K28 PolarHBondContact O-N 2.96Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.44Å; K28-L30 PolarHBondContact O-N 3.19Å; K28-N31 PolarHBondContact O-N 3.14Å
29E76.3Confident82.4Confident82 Ų8255.8 Ų55.838%0.38330%0.302SS..Hα-helixtrans-53.6-37.6178.5176.5-178.6-139.700112.3D25 H26 K190 G191D25-E29 WeakPolarHBondContact O-CB 3.45Å; D25-E29 PolarHBondContact O-N 2.77Å; H26-E29 IonicContact CE1-OE2 2.76Å; H26-E29 IonicContact ND1-OE2 2.72Å; H26-E29 PolarHBondContact ND1-OE2 2.85Å; H26-E29 VanDerWaalsContact ND1-OE2 3.08Å; H26-E29 PolarHBondContact O-N 2.97Å; E29-K190 VanDerWaalsContact OE2-CA 3.29Å; E29-K190 WeakPolarHBondContact OE2-CA 3.39Å; E29-G191 WeakPolarHBondContact OE1-CA 3.37Å; E29-G191 PolarHBondContact OE1-N 2.94Å; E29-G191 PolarHBondContact OE2-N 3.11Å
30L71.4Confident82.4Confident56 Ų5658.2 Ų58.229%0.29332%0.315SS..THydrogen-bonded Turntrans-97.918.8180-62-177.1000113.8H26 K28 N32H26-L30 VanDerWaalsContact CE1-CD1 3.42Å; H26-L30 WeakPolarHBondContact CE1-CD1 3.33Å; H26-L30 PolarHBondContact O-N 2.86Å; K28-L30 PolarHBondContact O-N 3.19Å; L30-N32 VanDerWaalsContact CB-ND2 3.3Å; L30-N32 WeakPolarHBondContact CB-ND2 3.25Å; L30-N32 PolarHBondContact O-N 2.99Å; L30-N32 VanDerWaalsContact O-N 3.15Å; L30-N32 PolarHBondContact O-ND2 3.26Å
31N76.3Confident82.6Confident159 Ų15958.7 Ų58.785%0.8531%0.314SS*.THydrogen-bonded Turntrans51.135.2-179.5-70.4-41.4000114.2K28K28-N31 PolarHBondContact O-N 3.14Å
32N72.9Confident83.1Confident34 Ų3460.2 Ų60.218%0.18233%0.326CS..PPolyproline II helixtrans-98.4146.5178.5-65-55.1000110.9R21 A27 L30R21-N32 VanDerWaalsContact NH2-CG 3.31Å; R21-N32 PolarHBondContact NH2-OD1 2.85Å; A27-N32 PolarHBondContact O-N 2.79Å; L30-N32 VanDerWaalsContact CB-ND2 3.3Å; L30-N32 WeakPolarHBondContact CB-ND2 3.25Å; L30-N32 PolarHBondContact O-N 2.99Å; L30-N32 VanDerWaalsContact O-N 3.15Å; L30-N32 PolarHBondContact O-ND2 3.26Å
33V76.6Confident83.3Confident123 Ų12360.5 Ų60.575%0.74533%0.327SS*.PPolyproline II helixtrans-66.8138.4168.4-174.90000108.9P35V33-P35 WeakPolarHBondContact O-CD 3.36Å
34V73.3Confident83.6Confident68 Ų6863.2 Ų63.241%0.41234%0.344SS..PPolyproline II helixtrans-59.7117.6171.1176.80000107.5I162V34-I162 HydrophobicContact CG1-CD1 3.89Å; V34-I162 HydrophobicContact CG1-CG1 4.49Å; V34-I162 HydrophobicContact CG1-CG2 4.47Å
35P77.5Confident84.6Confident22 Ų2264.1 Ų64.114%0.14335%0.347CS..PPolyproline II helixtrans-73.1148.2-17333.4-37.8000110.6R21 V33 E37 F163R21-P35 HydrophobicContact CB-CG 4.08Å; V33-P35 WeakPolarHBondContact O-CD 3.36Å; P35-E37 VanDerWaalsContact C-N 3.35Å; P35-E37 WeakPolarHBondContact CB-O 3.3Å; P35-F163 HydrophobicContact CG-CE2 4.13Å; P35-F163 WeakPolarHBondContact O-CZ 2.99Å
36T85.5Confident85.4Confident134 Ų13464.7 Ų64.782%0.82236%0.356SS*.SBendtrans-80.6-20.3173.7520000112.3
37E90.3Very high86.6Confident114 Ų11464.2 Ų64.253%0.53335%0.354SS..SBendtrans-135.2152.4175.5-67.3-172.7-164.800111.1P35 V39 Y171P35-E37 VanDerWaalsContact C-N 3.35Å; P35-E37 WeakPolarHBondContact CB-O 3.3Å; E37-V39 PolarHBondContact O-N 2.87Å; E37-Y171 HydrophobicContact CB-CE2 4.48Å; E37-Y171 HydrophobicContact CG-CE2 4.48Å; E37-Y171 PolarHBondContact OE2-OH 2.81Å
38P93.7Very high87.9Confident7 Ų765.4 Ų65.45%0.04536%0.359CS..PPolyproline II helixtrans-60132.1178.1-2232.5000112.8V19 L40 F163 F167 L168 Y171V19-P38 HydrophobicContact CG1-CB 3.95Å; P38-L40 HydrophobicContact CB-CD2 4.13Å; P38-L40 PolarHBondContact O-N 2.74Å; P38-F163 HydrophobicContact CB-CD2 4.29Å; P38-F163 HydrophobicContact CB-CE2 4.41Å; P38-F163 HydrophobicContact CG-CD1 4.3Å; P38-F163 HydrophobicContact CG-CD2 3.85Å; P38-F163 HydrophobicContact CG-CE1 4.49Å; P38-F163 HydrophobicContact CG-CE2 4.06Å; P38-F163 HydrophobicContact CG-CG 3.98Å; P38-F163 HydrophobicContact CG-CZ 4.38Å; P38-F167 HydrophobicContact CG-CD1 4.47Å; P38-F167 HydrophobicContact CG-CE1 3.75Å; P38-L168 HydrophobicContact CB-CD2 4.02Å; P38-L168 HydrophobicContact CG-CD2 3.79Å; P38-Y171 HydrophobicContact CB-CD1 4.22Å; P38-Y171 HydrophobicContact CB-CE1 4.12Å; P38-Y171 HydrophobicContact CG-CD1 3.83Å; P38-Y171 HydrophobicContact CG-CE1 4.01Å; P38-Y171 HydrophobicContact CG-CG 4.25Å
39V95.1Very high89.2Confident48 Ų4859.4 Ų59.429%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-81.3116.7169.6178.10000108.6V19 G20 E37 W115V19-V39 CarbonylContact C-O 3.52Å; V19-V39 WeakPolarHBondContact CA-O 3.31Å; G20-V39 PolarHBondContact N-O 3.37Å; E37-V39 PolarHBondContact O-N 2.87Å; V39-W115 HydrophobicContact CG1-CH2 4.32Å; V39-W115 HydrophobicContact CG1-CZ3 4.43Å
40L98.3Very high90.2Very high51 Ų5158 Ų5827%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-102.5139.6-179.2-56.6-177.1000112.1I17 C18 V19 P38 Y171 I172 I175I17-L40 HydrophobicContact CG2-CD2 4.49Å; C18-L40 WeakPolarHBondContact O-CA 3.47Å; V19-L40 HydrophobicContact CG2-CD2 3.9Å; P38-L40 HydrophobicContact CB-CD2 4.13Å; P38-L40 PolarHBondContact O-N 2.74Å; L40-Y171 HydrophobicContact CD1-CD1 4.2Å; L40-Y171 HydrophobicContact CD1-CE1 3.9Å; L40-Y171 HydrophobicContact CG-CE1 4.28Å; L40-I172 HydrophobicContact CD1-CG1 3.87Å; L40-I172 HydrophobicContact CD2-CD1 4.1Å; L40-I172 HydrophobicContact CD2-CG1 3.85Å; L40-I175 HydrophobicContact CD1-CD1 3.98Å
41F98.8Very high91.4Very high23 Ų2360.4 Ų60.410%0.10134%0.34CS..EExtended strand (participates in β ladder)trans-145.8169.7166.259.9-82.2000110C18 D98 W115 K119C18-F41 HydrophobicContact CB-CD1 4.15Å; C18-F41 HydrophobicContact CB-CD2 3.73Å; C18-F41 HydrophobicContact CB-CE1 3.69Å; C18-F41 HydrophobicContact CB-CE2 3.21Å; C18-F41 HydrophobicContact CB-CG 4.16Å; C18-F41 HydrophobicContact CB-CZ 3.17Å; C18-F41 PolarHBondContact N-O 3.13Å; C18-F41 PolarHBondContact O-N 3.09Å; C18-F41 VanDerWaalsContact O-N 3.13Å; F41-D98 WeakPolarHBondContact CZ-OD2 3.25Å; F41-W115 HydrophobicContact CD1-CE3 4.21Å; F41-W115 HydrophobicContact CD1-CZ3 4.23Å; F41-W115 HydrophobicContact CE1-CZ3 4.5Å; F41-W115 HydrophobicContact CG-CE3 4.42Å; F41-K119 HydrophobicContact CD2-CB 3.78Å; F41-K119 HydrophobicContact CD2-CD 4.23Å; F41-K119 HydrophobicContact CD2-CG 3.84Å; F41-K119 HydrophobicContact CE2-CB 3.82Å; F41-K119 HydrophobicContact CE2-CD 3.5Å; F41-K119 HydrophobicContact CE2-CG 3.65Å; F41-K119 HydrophobicContact CZ-CD 3.86Å; F41-K119 HydrophobicContact CZ-CG 4.29Å
42L98.8Very high92.3Very high94 Ų9456.6 Ų56.649%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-117.4149.1-174.7-59.7177.4000111.4I16 I17 I176I16-L42 WeakPolarHBondContact O-CA 3.43Å; I17-L42 HydrophobicContact CB-CD2 4.28Å; I17-L42 HydrophobicContact CG1-CD2 3.77Å; I17-L42 HydrophobicContact CG2-CD2 4.38Å; L42-I176 HydrophobicContact CD2-CD1 4.31Å
43K98.9Very high93.4Very high5 Ų558 Ų582%0.02235%0.35CS..EExtended strand (participates in β ladder)trans-113.5153.6157.6-54.6177.6178.7-92.20109.4I16 A47 D98 M99 K119 S124 C125I16-K43 HydrophobicContact CB-CB 3.96Å; I16-K43 HydrophobicContact CD1-CB 4.12Å; I16-K43 HydrophobicContact CG2-CB 4.19Å; I16-K43 HydrophobicContact CG2-CD 4.3Å; I16-K43 HydrophobicContact CG2-CG 4.49Å; I16-K43 PolarHBondContact O-N 3.04Å; K43-A47 HydrophobicContact CB-CB 3.97Å; K43-A47 HydrophobicContact CD-CB 4.48Å; K43-D98 WeakPolarHBondContact CE-OD1 3.29Å; K43-D98 IonicContact NZ-OD1 3.65Å; K43-D98 PolarHBondContact NZ-OD1 3.34Å; K43-M99 PolarHBondContact NZ-O 3.36Å; K43-K119 WeakPolarHBondContact CG-O 3.34Å; K43-K119 PolarHBondContact NZ-O 3.01Å; K43-S124 PolarHBondContact NZ-O 3.04Å; K43-C125 HydrophobicContact CD-CB 3.85Å
44T98.1Very high94.5Very high59 Ų5954.9 Ų54.936%0.36233%0.333SS..  trans-77.3156.4174.459.10000110.5S46 A47T44-S46 PolarHBondContact O-N 3.01Å; T44-S46 PolarHBondContact OG1-OG 2.91Å; T44-A47 WeakPolarHBondContact O-CB 3.21Å; T44-A47 PolarHBondContact O-N 3.49Å
45P98.1Very high95.7Very high56 Ų5651.7 Ų51.736%0.36431%0.314SS..G310 helixtrans-56.6-30.5172.3-29.137.6000113.8K14 A47 Y48K14-P45 WeakPolarHBondContact O-CG 3.43Å; P45-A47 PolarHBondContact O-N 3.45Å; P45-A47 VanDerWaalsContact O-N 3.14Å; P45-Y48 VanDerWaalsContact O-CD2 3.23Å; P45-Y48 WeakPolarHBondContact O-CD2 3.44Å; P45-Y48 PolarHBondContact O-N 3.13Å
46S97.7Very high96.7Very high73 Ų7352.8 Ų52.851%0.5132%0.318SS..G310 helixtrans-67.8-7.1175.265.40000114.2T44 Y48T44-S46 PolarHBondContact O-N 3.01Å; T44-S46 PolarHBondContact OG1-OG 2.91Å; S46-Y48 VanDerWaalsContact C-N 3.33Å
47A98.6Very high97.3Very high0 Ų046.6 Ų46.60%028%0.28CS..G310 helixtrans-75.4-22.8173.600000112.7I16 K43 T44 P45 L49 T123 S124 C125I16-A47 HydrophobicContact CD1-CB 4.36Å; K43-A47 HydrophobicContact CB-CB 3.97Å; K43-A47 HydrophobicContact CD-CB 4.48Å; T44-A47 WeakPolarHBondContact O-CB 3.21Å; T44-A47 PolarHBondContact O-N 3.49Å; P45-A47 PolarHBondContact O-N 3.45Å; P45-A47 VanDerWaalsContact O-N 3.14Å; A47-L49 PolarHBondContact O-N 2.75Å; A47-T123 CarbonylContact O-C 3.5Å; A47-T123 WeakPolarHBondContact O-CA 3.33Å; A47-S124 WeakPolarHBondContact CB-OG 3.11Å; A47-S124 PolarHBondContact O-N 3.05Å; A47-C125 HydrophobicContact CB-CB 3.97Å; A47-C125 WeakPolarHBondContact O-CA 3.35Å; A47-C125 PolarHBondContact O-N 3.38Å
48Y98.8Very high97.6Very high25 Ų2541.4 Ų41.410%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-55.7134.7178.1-76.7-54.7000111.3F9 W10 I16 P45 S46 C125 V127 L183F9-Y48 AromaticContact CE2-CE1 3.84Å; F9-Y48 HydrophobicContact CE2-CE1 3.84Å; F9-Y48 AromaticContact CE2-CZ 3.79Å; F9-Y48 WeakPolarHBondContact CE2-OH 3.22Å; W10-Y48 HydrophobicContact CB-CD1 3.94Å; W10-Y48 HydrophobicContact CB-CD2 3.79Å; W10-Y48 HydrophobicContact CB-CE1 4.3Å; W10-Y48 HydrophobicContact CB-CE2 4.18Å; W10-Y48 HydrophobicContact CB-CG 3.67Å; W10-Y48 WeakPolarHBondContact O-CD2 3.47Å; I16-Y48 HydrophobicContact CD1-CD1 3.86Å; I16-Y48 HydrophobicContact CD1-CD2 4.03Å; I16-Y48 HydrophobicContact CD1-CE1 3.58Å; I16-Y48 HydrophobicContact CD1-CE2 3.77Å; I16-Y48 HydrophobicContact CD1-CG 4.07Å; I16-Y48 HydrophobicContact CG1-CE1 3.95Å; I16-Y48 HydrophobicContact CG1-CE2 3.89Å; I16-Y48 WeakPolarHBondContact CG1-OH 3.47Å; P45-Y48 VanDerWaalsContact O-CD2 3.23Å; P45-Y48 WeakPolarHBondContact O-CD2 3.44Å; P45-Y48 PolarHBondContact O-N 3.13Å; S46-Y48 VanDerWaalsContact C-N 3.33Å; Y48-C125 WeakPolarHBondContact CA-O 3.48Å; Y48-C125 HydrophobicContact CD1-CB 4.5Å; Y48-V127 HydrophobicContact CD1-CB 4.31Å; Y48-V127 HydrophobicContact CD1-CG1 3.89Å; Y48-L183 HydrophobicContact CE1-CD2 3.6Å; Y48-L183 WeakPolarHBondContact OH-CB 3.26Å
49L98.6Very high97.8Very high14 Ų1448.5 Ų48.57%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-137.9117.1173.9-179.376.9000108.7A47 P54 I55 T123 C125 P126 V127 F213A47-L49 PolarHBondContact O-N 2.75Å; L49-P54 WeakPolarHBondContact CD2-O 3.41Å; L49-I55 HydrophobicContact CD2-CG1 3.82Å; L49-T123 HydrophobicContact CD1-CG2 3.98Å; L49-C125 PolarHBondContact N-O 3.17Å; L49-P126 HydrophobicContact CD2-CG 4.2Å; L49-P126 CarbonylContact O-C 3.58Å; L49-P126 VanDerWaalsContact O-CA 3.29Å; L49-P126 WeakPolarHBondContact O-CA 3.13Å; L49-V127 PolarHBondContact O-N 3.13Å; L49-F213 HydrophobicContact CD2-CD1 3.6Å; L49-F213 HydrophobicContact CD2-CE1 3.75Å; L49-F213 HydrophobicContact CG-CD1 4.2Å; L49-F213 HydrophobicContact CG-CE1 3.84Å; L49-F213 WeakPolarHBondContact O-CE1 3.49Å; L49-F213 WeakPolarHBondContact O-CZ 3.48Å
50T98.2Very high98Very high53 Ų5351.3 Ų51.333%0.32529%0.292SS..  trans-90.8160.3172.2570000110.8W10 V127W10-T50 HydrophobicContact CD2-CG2 3.87Å; W10-T50 HydrophobicContact CG-CG2 3.95Å; W10-T50 HydrophobicContact CZ2-CG2 4.17Å; T50-V127 HydrophobicContact CG2-CG1 4.17Å
51E96Very high97.9Very high106 Ų10648.9 Ų48.950%0.49528%0.28SS..THydrogen-bonded Turntrans-52.4147.6178.7-170.9162.7-13900112.2T212 F213E51-T212 WeakPolarHBondContact CG-O 3.5Å; E51-T212 WeakPolarHBondContact OE1-CA 3.37Å; E51-T212 VanDerWaalsContact OE1-CB 3.31Å; E51-T212 WeakPolarHBondContact OE1-CB 3.33Å; E51-T212 PolarHBondContact OE1-N 3.2Å; E51-F213 HydrophobicContact CB-CZ 4.49Å
52G95.7Very high97.8Very high80 Ų8054 Ų5483%0.82531%0.308SS*.THydrogen-bonded Turntrans95.3-14.7-175.400000114.8
53S95.9Very high97.7Very high62 Ų6251 Ų5143%0.43430%0.295SS..SBendtrans-111.7147.9169.6-67.80000111.3
54P97.9Very high97.7Very high59 Ų5950.8 Ų50.838%0.38329%0.294SS..  trans-81.5151-175.632.7-35.3000112.8L49 L56 K214L49-P54 WeakPolarHBondContact CD2-O 3.41Å; P54-L56 HydrophobicContact CB-CD2 4.4Å; P54-L56 HydrophobicContact CG-CD2 3.96Å; P54-K214 CarbonylContact C-O 3.56Å; P54-K214 VanDerWaalsContact CA-O 3.22Å; P54-K214 WeakPolarHBondContact CA-O 3.42Å; P54-K214 WeakPolarHBondContact CB-O 3.42Å
55I98.6Very high97.8Very high0 Ų049.3 Ų49.30%028%0.283CS..EExtended strand (participates in β ladder)trans-69.1130.6162-65.4164.2000107.7L49 L97 M99 P126 L201 F213 K214 V215 G216L49-I55 HydrophobicContact CD2-CG1 3.82Å; I55-L97 HydrophobicContact CD1-CD1 4.14Å; I55-M99 HydrophobicContact CD1-CE 4.39Å; I55-M99 HydrophobicContact CD1-SD 4.04Å; I55-M99 HydrophobicContact CG2-CE 4.04Å; I55-M99 HydrophobicContact CG2-CG 4.2Å; I55-P126 HydrophobicContact CD1-CG 3.76Å; I55-P126 HydrophobicContact CG1-CG 3.6Å; I55-L201 HydrophobicContact CD1-CD2 4.01Å; I55-F213 HydrophobicContact CD1-CB 3.54Å; I55-F213 HydrophobicContact CD1-CG 4.18Å; I55-F213 HydrophobicContact CG1-CB 3.92Å; I55-F213 HydrophobicContact CG1-CD1 4.41Å; I55-F213 HydrophobicContact CG1-CG 4.35Å; I55-K214 PolarHBondContact N-O 3.35Å; I55-V215 CarbonylContact O-C 3.51Å; I55-V215 WeakPolarHBondContact O-CA 3.49Å; I55-G216 PolarHBondContact O-N 3.34Å
56L98.4Very high97.8Very high45 Ų4546.7 Ų46.724%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-109.2115.2-178.7-61178.5000111P54 P58 T123 L218P54-L56 HydrophobicContact CB-CD2 4.4Å; P54-L56 HydrophobicContact CG-CD2 3.96Å; L56-P58 WeakPolarHBondContact O-CD 3.47Å; L56-T123 HydrophobicContact CB-CG2 4.44Å; L56-T123 HydrophobicContact CD1-CG2 4.26Å; L56-T123 HydrophobicContact CG-CG2 4.2Å; L56-T123 PolarHBondContact N-OG1 3.21Å; L56-L218 HydrophobicContact CB-CB 4.41Å; L56-L218 HydrophobicContact CD1-CD1 3.74Å
57I98.4Very high97.8Very high4 Ų443.5 Ų43.52%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-64.3121.7169.1-64.8175.5000108.1V64 V197 V215 G216 L218I57-V64 HydrophobicContact CB-CG2 4.33Å; I57-V64 HydrophobicContact CG1-CB 4.27Å; I57-V64 HydrophobicContact CG1-CG2 4.17Å; I57-V64 HydrophobicContact CG2-CG2 3.86Å; I57-V197 HydrophobicContact CD1-CG2 4.19Å; I57-V215 HydrophobicContact CD1-CG1 3.68Å; I57-V215 HydrophobicContact CG1-CG1 3.78Å; I57-G216 PolarHBondContact N-O 2.84Å; I57-L218 PolarHBondContact O-N 3Å; I57-L218 VanDerWaalsContact O-N 3.11Å
58P97.9Very high97.9Very high5 Ų543.5 Ų43.53%0.03224%0.243CC..  trans-71.5145.718028.8-31.3000110.9L56 Y60 S61 F121L56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-Y60 HydrophobicContact CB-CD1 4.01Å; P58-Y60 HydrophobicContact CB-CD2 4.33Å; P58-Y60 HydrophobicContact CB-CE1 3.53Å; P58-Y60 HydrophobicContact CB-CE2 3.88Å; P58-Y60 HydrophobicContact CB-CG 4.38Å; P58-Y60 VanDerWaalsContact CB-CZ 3.45Å; P58-Y60 HydrophobicContact CG-CD2 4.28Å; P58-Y60 HydrophobicContact CG-CE1 4.28Å; P58-Y60 HydrophobicContact CG-CE2 3.7Å; P58-Y60 PolarHBondContact O-N 3.49Å; P58-S61 PolarHBondContact O-N 2.78Å; P58-F121 HydrophobicContact CG-CD2 4.16Å; P58-F121 HydrophobicContact CG-CE2 4.36Å; P58-F121 HydrophobicContact CG-CG 4.36Å
59K97.7Very high97.9Very high156 Ų15642.4 Ų42.468%0.67824%0.239SC*.THydrogen-bonded Turntrans-56.2-24-176.3-65.2-177.8-178.4176.70114.9L218K59-L218 WeakPolarHBondContact CE-O 3.48Å; K59-L218 WeakPolarHBondContact CE-OXT 3.08Å; K59-L218 HydrophobicContact CG-CB 4.49Å; K59-L218 WeakPolarHBondContact CG-O 3.5Å; K59-L218 PolarHBondContact NZ-OXT 3.44Å
60Y97.9Very high97.9Very high108 Ų10841.8 Ų41.842%0.42424%0.235SC..THydrogen-bonded Turntrans-91.30.2-176.656.8-106.6000113.9P58 V104 L117 F121P58-Y60 HydrophobicContact CB-CD1 4.01Å; P58-Y60 HydrophobicContact CB-CD2 4.33Å; P58-Y60 HydrophobicContact CB-CE1 3.53Å; P58-Y60 HydrophobicContact CB-CE2 3.88Å; P58-Y60 HydrophobicContact CB-CG 4.38Å; P58-Y60 VanDerWaalsContact CB-CZ 3.45Å; P58-Y60 HydrophobicContact CG-CD2 4.28Å; P58-Y60 HydrophobicContact CG-CE1 4.28Å; P58-Y60 HydrophobicContact CG-CE2 3.7Å; P58-Y60 PolarHBondContact O-N 3.49Å; Y60-V104 HydrophobicContact CD2-CG2 3.87Å; Y60-V104 HydrophobicContact CE2-CG2 4.17Å; Y60-L117 WeakPolarHBondContact CE2-O 3.36Å; Y60-L117 PolarHBondContact OH-O 2.79Å; Y60-L117 VanDerWaalsContact OH-O 3.11Å; Y60-F121 VanDerWaalsContact OH-CB 3.24Å; Y60-F121 WeakPolarHBondContact OH-CB 3.42Å
61S97.9Very high97.9Very high0 Ų039.2 Ų39.20%022%0.22CC..  trans-123.7141.3178.9178.90000111.1P58 S63 A101 D103P58-S61 PolarHBondContact O-N 2.78Å; S61-S63 PolarHBondContact OG-N 2.91Å; S61-A101 WeakPolarHBondContact OG-CB 3.17Å; S61-D103 PolarHBondContact OG-OD1 2.87Å; S61-D103 PolarHBondContact OG-OD2 2.98Å
62N95.4Very high98Very high130 Ų13034.3 Ų34.370%0.69520%0.197SC*.SBendtrans-108.4-4171.8-64.3-60.7000112.4D103N62-D103 PolarHBondContact N-OD2 3.15Å
63S97.8Very high98.2Very high31 Ų3130.5 Ų30.522%0.21716%0.158CC..  trans-138.885.8-178-166.10000111.2S61 H65 A101 R102 D103S61-S63 PolarHBondContact OG-N 2.91Å; S63-H65 PolarHBondContact OG-CD2 2.91Å; S63-H65 PolarHBondContact OG-NE2 3.09Å; S63-H65 VanDerWaalsContact OG-NE2 3.11Å; S63-A101 CarbonylContact O-C 3.51Å; S63-R102 PolarHBondContact O-N 3.06Å; S63-D103 PolarHBondContact N-OD2 3.08Å
64V98.6Very high98.3Very high1 Ų127.5 Ų27.51%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-97122173.6177.30000109.4I57 M99 T100 A101 F121 A194 V195I57-V64 HydrophobicContact CB-CG2 4.33Å; I57-V64 HydrophobicContact CG1-CB 4.27Å; I57-V64 HydrophobicContact CG1-CG2 4.17Å; I57-V64 HydrophobicContact CG2-CG2 3.86Å; V64-M99 HydrophobicContact CG1-CB 4.41Å; V64-M99 HydrophobicContact CG1-CE 3.79Å; V64-T100 CarbonylContact C-O 3.59Å; V64-T100 VanDerWaalsContact CA-O 3.31Å; V64-T100 WeakPolarHBondContact CA-O 3.49Å; V64-A101 HydrophobicContact CG2-CB 4.48Å; V64-F121 HydrophobicContact CG1-CZ 4.36Å; V64-A194 CarbonylContact O-C 3.5Å; V64-A194 VanDerWaalsContact O-CA 3.23Å; V64-A194 WeakPolarHBondContact O-CA 3.45Å; V64-V195 HydrophobicContact CB-CG2 4.39Å; V64-V195 HydrophobicContact CG1-CG2 4.33Å; V64-V195 WeakPolarHBondContact O-CG2 3.43Å; V64-V195 PolarHBondContact O-N 2.72Å
65H98.8Very high98.3Very high28 Ų2826 Ų2613%0.1313%0.131CC..EExtended strand (participates in β ladder)trans-100.2146.2-179.1-73.2-138.1000111.8S63 M99 T100 R102 S193S63-H65 PolarHBondContact OG-CD2 2.91Å; S63-H65 PolarHBondContact OG-NE2 3.09Å; S63-H65 VanDerWaalsContact OG-NE2 3.11Å; H65-M99 WeakPolarHBondContact O-CA 3.41Å; H65-M99 WeakPolarHBondContact O-CE 3.33Å; H65-T100 PolarHBondContact N-O 2.75Å; H65-T100 PolarHBondContact O-N 3.06Å; H65-R102 VanDerWaalsContact CD2-CB 3.47Å; H65-R102 WeakPolarHBondContact CD2-CB 3.38Å; H65-S193 VanDerWaalsContact CA-O 3.23Å; H65-S193 WeakPolarHBondContact CA-O 3.14Å
66H98.8Very high98.3Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-83.6144.4164.164.776.1000110.7M99 L146 Q154 G191 V192 S193 V195 L201H66-M99 HydrophobicContact CB-CE 4.36Å; H66-M99 HydrophobicContact CB-SD 4.43Å; H66-L146 HydrophobicContact CB-CD1 4.08Å; H66-Q154 PolarHBondContact CE1-OE1 3.44Å; H66-Q154 PolarHBondContact ND1-OE1 3.19Å; H66-G191 PolarHBondContact CE1-O 3.23Å; H66-G191 VanDerWaalsContact CE1-O 3.28Å; H66-V192 WeakPolarHBondContact O-CB 3.4Å; H66-S193 PolarHBondContact CD2-O 3.25Å; H66-S193 PolarHBondContact N-O 3.43Å; H66-S193 VanDerWaalsContact N-O 3.15Å; H66-S193 PolarHBondContact NE2-N 3.46Å; H66-S193 PolarHBondContact NE2-O 3.45Å; H66-S193 PolarHBondContact NE2-OG 3.31Å; H66-V195 HydrophobicContact CB-CG1 4.24Å; H66-L201 HydrophobicContact CB-CD2 3.84Å
67E98.8Very high98.3Very high7 Ų731 Ų313%0.03316%0.16CC..  trans-143.598.8176.6-64.2-169.8-178.600107.2L97 D98 T100 R102 K119 T188 V192E67-L97 CarbonylContact O-C 3.45Å; E67-L97 VanDerWaalsContact O-CA 3.31Å; E67-L97 WeakPolarHBondContact O-CA 3.39Å; E67-D98 HydrophobicContact CB-CB 3.87Å; E67-D98 WeakPolarHBondContact CB-O 3.47Å; E67-D98 WeakPolarHBondContact CG-O 3.5Å; E67-D98 PolarHBondContact O-N 3.01Å; E67-T100 PolarHBondContact OE1-OG1 2.85Å; E67-R102 IonicContact OE1-CZ 3.08Å; E67-R102 VanDerWaalsContact OE1-CZ 3.24Å; E67-R102 IonicContact OE1-NH1 2.63Å; E67-R102 PolarHBondContact OE1-NH1 3.27Å; E67-R102 IonicContact OE1-NH2 3.85Å; E67-R102 PolarHBondContact OE1-NH2 2.57Å; E67-K119 IonicContact OE1-NZ 2.57Å; E67-K119 PolarHBondContact OE1-NZ 2.75Å; E67-K119 IonicContact OE2-NZ 3.15Å; E67-K119 PolarHBondContact OE2-NZ 3.17Å; E67-T188 HydrophobicContact CB-CG2 3.8Å; E67-T188 HydrophobicContact CG-CG2 3.95Å; E67-V192 HydrophobicContact CB-CG1 4.48Å; E67-V192 HydrophobicContact CG-CB 4.4Å; E67-V192 HydrophobicContact CG-CG1 3.81Å
68I98.8Very high98.3Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-74.9129.9179.1-170.6172.8000111.6L95 L97 I144 W145 L146 Q154 T188 P189 A203I68-L95 HydrophobicContact CD1-CD1 3.94Å; I68-L95 HydrophobicContact CD1-CD2 4.1Å; I68-L95 HydrophobicContact CD1-CG 4.27Å; I68-L95 HydrophobicContact CG1-CD1 3.85Å; I68-L95 HydrophobicContact CG1-CG 4.27Å; I68-L97 HydrophobicContact CB-CD2 4.11Å; I68-L97 HydrophobicContact CG1-CD2 4.24Å; I68-I144 HydrophobicContact CD1-CB 4.02Å; I68-I144 HydrophobicContact CG1-CB 4.44Å; I68-I144 HydrophobicContact CG1-CD1 4.37Å; I68-I144 HydrophobicContact CG2-CD1 4.19Å; I68-I144 HydrophobicContact CG2-CG1 4.47Å; I68-W145 VanDerWaalsContact CD1-C 3.41Å; I68-W145 WeakPolarHBondContact CD1-O 3.29Å; I68-L146 HydrophobicContact CB-CB 4.23Å; I68-L146 HydrophobicContact CB-CD1 4.04Å; I68-L146 HydrophobicContact CD1-CB 4.05Å; I68-L146 HydrophobicContact CG2-CB 4.3Å; I68-Q154 HydrophobicContact CG2-CB 3.73Å; I68-Q154 HydrophobicContact CG2-CG 4.34Å; I68-Q154 VanDerWaalsContact N-OE1 3.07Å; I68-T188 WeakPolarHBondContact O-CA 3.5Å; I68-T188 PolarHBondContact O-OG1 2.99Å; I68-P189 HydrophobicContact CG2-CG 4.08Å; I68-P189 WeakPolarHBondContact O-CD 3.48Å; I68-A203 HydrophobicContact CD1-CB 3.86Å
69E98.9Very high98.3Very high2 Ų235.5 Ų35.51%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-138.1148-177.5-51.3-154.6166.200112.5C96 D98 L185 T186 G187 T188E69-C96 PolarHBondContact N-O 2.9Å; E69-C96 PolarHBondContact O-N 2.81Å; E69-D98 HydrophobicContact CG-CB 4.35Å; E69-L185 HydrophobicContact CB-CG 4.31Å; E69-L185 VanDerWaalsContact OE2-C 3.24Å; E69-L185 WeakPolarHBondContact OE2-CB 3.49Å; E69-T186 PolarHBondContact OE2-N 3.03Å; E69-G187 VanDerWaalsContact CD-N 3.28Å; E69-G187 WeakPolarHBondContact CG-O 3.1Å; E69-G187 WeakPolarHBondContact OE1-CA 3.47Å; E69-G187 WeakPolarHBondContact OE2-CA 3.48Å; E69-G187 PolarHBondContact OE2-N 2.94Å; E69-T188 PolarHBondContact OE1-N 3.05Å; E69-T188 VanDerWaalsContact OE1-N 3.13Å
70L98.9Very high98.3Very high0 Ų030.9 Ų30.90%018%0.182CC..EExtended strand (participates in β ladder)trans-78.6122.8164.1-177.566.2000108.7Y93 I136 P139 T158 I165 T186 I205L70-Y93 HydrophobicContact CD1-CD1 4.42Å; L70-Y93 HydrophobicContact CD1-CG 4.44Å; L70-Y93 HydrophobicContact CD2-CD1 4.37Å; L70-Y93 HydrophobicContact CG-CD1 4.47Å; L70-I136 HydrophobicContact CD1-CD1 4.49Å; L70-P139 HydrophobicContact CD2-CB 4.33Å; L70-T158 HydrophobicContact CB-CG2 4.18Å; L70-T158 HydrophobicContact CD2-CG2 3.93Å; L70-I165 HydrophobicContact CD2-CD1 4.05Å; L70-T186 WeakPolarHBondContact O-CB 3.42Å; L70-T186 WeakPolarHBondContact O-CG2 3.38Å; L70-T186 PolarHBondContact O-N 3.19Å; L70-T186 PolarHBondContact O-OG1 2.76Å; L70-I205 HydrophobicContact CD1-CD1 4.2Å
71G98.9Very high98.4Very high0 Ų026.1 Ų26.10%016%0.164CC..EExtended strand (participates in β ladder)trans-93.2136.617200000111.7Y93 A94 I184G71-Y93 CarbonylContact O-C 3.52Å; G71-Y93 WeakPolarHBondContact O-CA 2.95Å; G71-Y93 WeakPolarHBondContact O-CB 3.44Å; G71-A94 VanDerWaalsContact CA-O 3.26Å; G71-A94 WeakPolarHBondContact CA-O 3.24Å; G71-A94 PolarHBondContact N-O 3.41Å; G71-A94 PolarHBondContact O-N 3.06Å; G71-I184 CarbonylContact C-O 3.58Å; G71-I184 VanDerWaalsContact CA-O 3.3Å; G71-I184 WeakPolarHBondContact CA-O 3.44Å
72V98.9Very high98.4Very high2 Ų229.7 Ų29.71%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-107.8118175.7-1780000109.2V90 Y93 I165 I169 L183 I184 T186V72-V90 HydrophobicContact CG1-CB 4.36Å; V72-V90 HydrophobicContact CG1-CG1 3.85Å; V72-V90 HydrophobicContact CG1-CG2 3.67Å; V72-Y93 HydrophobicContact CG2-CD1 4.26Å; V72-Y93 HydrophobicContact CG2-CE1 4.35Å; V72-I165 HydrophobicContact CG1-CG2 4.3Å; V72-I165 HydrophobicContact CG2-CD1 4.01Å; V72-I165 HydrophobicContact CG2-CG1 4.08Å; V72-I165 HydrophobicContact CG2-CG2 3.83Å; V72-I169 HydrophobicContact CG1-CD1 4.32Å; V72-L183 WeakPolarHBondContact O-CA 3.39Å; V72-I184 HydrophobicContact CB-CB 4.32Å; V72-I184 PolarHBondContact N-O 3.39Å; V72-I184 PolarHBondContact O-N 3.19Å; V72-T186 HydrophobicContact CG2-CG2 3.82Å
73V98.9Very high98.6Very high0 Ų028 Ų280%018%0.175CC..EExtended strand (participates in β ladder)trans-92.9122.7-179.2-176.80000109.4I6 F9 G75 A91 G92 F130 D182 L183I6-V73 HydrophobicContact CD1-CG1 3.87Å; I6-V73 HydrophobicContact CG1-CG1 4.15Å; F9-V73 HydrophobicContact CB-CG1 4.05Å; F9-V73 HydrophobicContact CD1-CG1 4.17Å; F9-V73 HydrophobicContact CD1-CG2 3.94Å; F9-V73 HydrophobicContact CD2-CG1 4.23Å; F9-V73 HydrophobicContact CD2-CG2 4.25Å; F9-V73 HydrophobicContact CE1-CG2 3.71Å; F9-V73 HydrophobicContact CE2-CG2 4.04Å; F9-V73 HydrophobicContact CG-CG1 3.88Å; F9-V73 HydrophobicContact CG-CG2 4.2Å; F9-V73 HydrophobicContact CZ-CG2 3.75Å; V73-G75 PolarHBondContact O-N 3.29Å; V73-A91 PolarHBondContact O-N 2.89Å; V73-G92 PolarHBondContact N-O 3.25Å; V73-F130 HydrophobicContact CB-CD2 4.39Å; V73-F130 HydrophobicContact CB-CE2 4.05Å; V73-F130 HydrophobicContact CG1-CD2 4.46Å; V73-F130 HydrophobicContact CG1-CE2 4.17Å; V73-F130 HydrophobicContact CG2-CD2 4.12Å; V73-F130 HydrophobicContact CG2-CE2 4.25Å; V73-D182 WeakPolarHBondContact CA-O 3.48Å; V73-L183 HydrophobicContact CG2-CD1 3.91Å
74I98.8Very high98.6Very high0 Ų032 Ų320%020%0.203CC..EExtended strand (participates in β ladder)trans-78.5121.9-179.6-56.3-55.5000110K76 H89 L178 E179 E180 G181 D182 I184I74-K76 VanDerWaalsContact CG2-O 3.23Å; I74-K76 WeakPolarHBondContact CG2-O 3.32Å; I74-H89 CarbonylContact C-O 3.52Å; I74-H89 WeakPolarHBondContact CA-O 3.29Å; I74-L178 HydrophobicContact CD1-CD1 4Å; I74-L178 HydrophobicContact CG1-CB 4.44Å; I74-L178 HydrophobicContact CG1-CD1 4.28Å; I74-L178 HydrophobicContact CG2-CB 4.27Å; I74-E179 WeakPolarHBondContact CB-O 3.38Å; I74-E179 VanDerWaalsContact CG2-O 3.32Å; I74-E179 WeakPolarHBondContact CG2-O 3.29Å; I74-E180 CarbonylContact O-C 3.56Å; I74-E180 WeakPolarHBondContact O-CA 3.17Å; I74-G181 PolarHBondContact O-N 3.27Å; I74-D182 HydrophobicContact CB-CB 4.35Å; I74-D182 HydrophobicContact CG1-CB 4.19Å; I74-D182 PolarHBondContact N-O 2.96Å; I74-I184 HydrophobicContact CD1-CD1 3.98Å
75G98.2Very high98.6Very high26 Ų2633 Ų3327%0.26821%0.211SC..SBendtrans-99-17.2176.600000114.5V73 H89 A91 E180V73-G75 PolarHBondContact O-N 3.29Å; G75-H89 PolarHBondContact N-O 2.88Å; G75-A91 VanDerWaalsContact CA-CB 3.49Å; G75-E180 WeakPolarHBondContact O-CG 3.42Å
76K97.9Very high98.6Very high122 Ų12231.7 Ų31.753%0.5320%0.204SC..SBendtrans-140.3121.3174.3-177.5-173.9175.8-173.30108.2I74 H89I74-K76 VanDerWaalsContact CG2-O 3.23Å; I74-K76 WeakPolarHBondContact CG2-O 3.32Å; K76-H89 PolarHBondContact N-O 2.9Å; K76-H89 WeakPolarHBondContact O-CB 3.23Å; K76-H89 PolarHBondContact O-ND1 3.23Å
77G97.3Very high98.6Very high29 Ų2934 Ų3430%0.29922%0.215SC..  trans-64.6169.8176.800000113.4H89 L178G77-H89 PolarHBondContact O-CE1 3.36Å; G77-H89 VanDerWaalsContact O-CE1 3.27Å; G77-H89 PolarHBondContact O-ND1 2.62Å; G77-L178 CarbonylContact C-O 3.56Å; G77-L178 WeakPolarHBondContact CA-O 3.4Å
78G98.3Very high98.5Very high19 Ų1940.1 Ų40.120%0.19624%0.244CC..BIsolated β-bridgetrans172.8161.2175.700000113.5L178G78-L178 PolarHBondContact N-O 3.39Å; G78-L178 PolarHBondContact O-N 3.42Å
79T98.6Very high98.5Very high85 Ų8540.9 Ų40.952%0.52125%0.248SC..SBendtrans-123.6141.9174-50.30000107.4I81 S173 T177T79-I81 VanDerWaalsContact C-N 3.25Å; T79-I81 PolarHBondContact O-N 2.87Å; T79-S173 WeakPolarHBondContact CA-O 3.48Å; T79-T177 WeakPolarHBondContact OG1-CB 2.98Å; T79-T177 VanDerWaalsContact OG1-CG2 3.24Å; T79-T177 WeakPolarHBondContact OG1-CG2 3.49Å; T79-T177 PolarHBondContact OG1-OG1 3.46Å
80A98.4Very high98.5Very high59 Ų5941.3 Ų41.349%0.48825%0.25SS..SBendtrans47.847.9-178.900000112.7P82 S173 E174A80-P82 WeakPolarHBondContact O-CD 3.42Å; A80-S173 PolarHBondContact N-O 2.96Å; A80-E174 HydrophobicContact CB-CG 4.28Å
81I98.8Very high98.5Very high7 Ų742.6 Ų42.64%0.03626%0.261CS..  trans-69.1122-179.8-60.6165.2000108T79 Q83 H89 I169 S170 S173 L178T79-I81 VanDerWaalsContact C-N 3.25Å; T79-I81 PolarHBondContact O-N 2.87Å; I81-Q83 PolarHBondContact O-N 2.84Å; I81-H89 HydrophobicContact CD1-CB 4.4Å; I81-I169 HydrophobicContact CD1-CG2 4.16Å; I81-S170 VanDerWaalsContact O-CA 3.31Å; I81-S170 WeakPolarHBondContact O-CA 3.1Å; I81-S170 WeakPolarHBondContact O-CB 3.38Å; I81-S170 PolarHBondContact O-OG 2.76Å; I81-S173 WeakPolarHBondContact CB-OG 3.23Å; I81-S173 PolarHBondContact N-OG 2.93Å; I81-L178 HydrophobicContact CD1-CD1 4.21Å
82P98.7Very high98.5Very high76 Ų7642.6 Ų42.649%0.49426%0.261SS..  trans-59138.9173.9-24.433.9000111.9A80 S84 S85 A86A80-P82 WeakPolarHBondContact O-CD 3.42Å; P82-S84 PolarHBondContact O-N 3.24Å; P82-S85 WeakPolarHBondContact CD-OG 3.42Å; P82-S85 PolarHBondContact O-N 2.9Å; P82-S85 PolarHBondContact O-OG 2.92Å; P82-S85 VanDerWaalsContact O-OG 3.06Å; P82-A86 PolarHBondContact O-N 3.01Å; P82-A86 VanDerWaalsContact O-N 3.08Å
83Q98.6Very high98.5Very high93 Ų9342.5 Ų42.544%0.43526%0.261SS..THydrogen-bonded Turntrans-51.9-34.6176.9-178.2174.1-21.600113.3I81 S85 A86 P166 S170I81-Q83 PolarHBondContact O-N 2.84Å; Q83-S85 VanDerWaalsContact C-N 3.28Å; Q83-S85 PolarHBondContact O-N 2.92Å; Q83-A86 WeakPolarHBondContact O-CB 2.95Å; Q83-A86 PolarHBondContact O-N 2.96Å; Q83-P166 HydrophobicContact CG-CB 3.82Å; Q83-S170 PolarHBondContact N-OG 3Å
84S98.6Very high98.5Very high115 Ų11542.5 Ų42.580%0.80426%0.261SS*.THydrogen-bonded Turntrans-67.6-22.3178.356.60000114.2P82P82-S84 PolarHBondContact O-N 3.24Å
85S98.3Very high98.5Very high24 Ų2442.5 Ų42.517%0.16826%0.261CS..THydrogen-bonded Turntrans-106-7176.362.10000113.5P82 Q83 M87 Q88P82-S85 WeakPolarHBondContact CD-OG 3.42Å; P82-S85 PolarHBondContact O-N 2.9Å; P82-S85 PolarHBondContact O-OG 2.92Å; P82-S85 VanDerWaalsContact O-OG 3.06Å; Q83-S85 VanDerWaalsContact C-N 3.28Å; Q83-S85 PolarHBondContact O-N 2.92Å; S85-M87 VanDerWaalsContact C-N 3.29Å; S85-M87 PolarHBondContact O-N 2.88Å; S85-M87 VanDerWaalsContact O-N 3.13Å; S85-Q88 VanDerWaalsContact O-CB 3.24Å; S85-Q88 WeakPolarHBondContact O-CB 3.5Å; S85-Q88 WeakPolarHBondContact O-CG 3.22Å; S85-Q88 PolarHBondContact O-N 2.86Å
86A98.6Very high98.6Very high0 Ų041.3 Ų41.30%025%0.248CC..G310 helixtrans-47.9-45.2-175.800000114.1P82 Q83 Q88 H89 P166 I169P82-A86 PolarHBondContact O-N 3.01Å; P82-A86 VanDerWaalsContact O-N 3.08Å; Q83-A86 WeakPolarHBondContact O-CB 2.95Å; Q83-A86 PolarHBondContact O-N 2.96Å; A86-Q88 PolarHBondContact O-N 2.84Å; A86-Q88 VanDerWaalsContact O-N 3.15Å; A86-H89 WeakPolarHBondContact O-CB 3.45Å; A86-H89 PolarHBondContact O-N 2.89Å; A86-P166 HydrophobicContact CB-CB 4.05Å; A86-P166 WeakPolarHBondContact CB-O 3.44Å; A86-I169 HydrophobicContact CB-CB 3.9Å; A86-I169 HydrophobicContact CB-CD1 4.24Å; A86-I169 HydrophobicContact CB-CG2 3.81Å
87M98.6Very high98.6Very high47 Ų4735.5 Ų35.523%0.23222%0.223CC..G310 helixtrans-67.6-16.4-178.2-64.9-52-61.200114S85 H89 V90 Y93 K133 P139 I165 P166S85-M87 VanDerWaalsContact C-N 3.29Å; S85-M87 PolarHBondContact O-N 2.88Å; S85-M87 VanDerWaalsContact O-N 3.13Å; M87-H89 PolarHBondContact O-N 2.67Å; M87-V90 HydrophobicContact CE-CB 4.41Å; M87-V90 HydrophobicContact CE-CG2 4.05Å; M87-V90 PolarHBondContact O-N 3.05Å; M87-V90 HydrophobicContact SD-CG2 4.21Å; M87-Y93 WeakPolarHBondContact CE-OH 3.32Å; M87-K133 PolarHBondContact O-NZ 2.8Å; M87-P139 HydrophobicContact CE-CG 3.91Å; M87-I165 HydrophobicContact SD-CG2 3.97Å; M87-P166 HydrophobicContact CG-CG 3.95Å; M87-P166 HydrophobicContact SD-CG 3.87Å
88Q98.5Very high98.7Very high136 Ų13634.1 Ų34.164%0.63621%0.208SC*.G310 helixtrans-73.4-16173.3-55.1173.919.100112.1S85 A86S85-Q88 VanDerWaalsContact O-CB 3.24Å; S85-Q88 WeakPolarHBondContact O-CB 3.5Å; S85-Q88 WeakPolarHBondContact O-CG 3.22Å; S85-Q88 PolarHBondContact O-N 2.86Å; A86-Q88 PolarHBondContact O-N 2.84Å; A86-Q88 VanDerWaalsContact O-N 3.15Å
89H98.7Very high98.7Very high17 Ų1733.2 Ų33.28%0.07920%0.199CC..G310 helixtrans-91.3-6.3178.6-69.8-105.6000113.3I74 G75 K76 G77 I81 A86 M87I74-H89 CarbonylContact C-O 3.52Å; I74-H89 WeakPolarHBondContact CA-O 3.29Å; G75-H89 PolarHBondContact N-O 2.88Å; K76-H89 PolarHBondContact N-O 2.9Å; K76-H89 WeakPolarHBondContact O-CB 3.23Å; K76-H89 PolarHBondContact O-ND1 3.23Å; G77-H89 PolarHBondContact O-CE1 3.36Å; G77-H89 VanDerWaalsContact O-CE1 3.27Å; G77-H89 PolarHBondContact O-ND1 2.62Å; I81-H89 HydrophobicContact CD1-CB 4.4Å; A86-H89 WeakPolarHBondContact O-CB 3.45Å; A86-H89 PolarHBondContact O-N 2.89Å; M87-H89 PolarHBondContact O-N 2.67Å
90V98.8Very high98.7Very high10 Ų1029.1 Ų29.16%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-88123.6-178.61790000110.2V72 M87 G92 Y93 I169V72-V90 HydrophobicContact CG1-CB 4.36Å; V72-V90 HydrophobicContact CG1-CG1 3.85Å; V72-V90 HydrophobicContact CG1-CG2 3.67Å; M87-V90 HydrophobicContact CE-CB 4.41Å; M87-V90 HydrophobicContact CE-CG2 4.05Å; M87-V90 PolarHBondContact O-N 3.05Å; M87-V90 HydrophobicContact SD-CG2 4.21Å; V90-G92 WeakPolarHBondContact CG1-O 3.23Å; V90-Y93 HydrophobicContact CG1-CE1 4.05Å; V90-I169 HydrophobicContact CG2-CD1 3.53Å
91A98.6Very high98.7Very high27 Ų2726.3 Ų26.322%0.22315%0.151CC..EExtended strand (participates in β ladder)trans-80.2-37.1169.300000111.9I6 V73 G75 F130 K133I6-A91 HydrophobicContact CD1-CB 4.31Å; I6-A91 HydrophobicContact CG1-CB 3.73Å; V73-A91 PolarHBondContact O-N 2.89Å; G75-A91 VanDerWaalsContact CA-CB 3.49Å; A91-F130 HydrophobicContact CB-CE2 4.26Å; A91-F130 HydrophobicContact CB-CZ 4.17Å; A91-K133 WeakPolarHBondContact O-CB 3.23Å; A91-K133 PolarHBondContact O-N 2.88Å
92G98.8Very high98.7Very high0 Ų026.9 Ų26.90%015%0.152CC..EExtended strand (participates in β ladder)trans169-154-174.200000111V73 V90 I131V73-G92 PolarHBondContact N-O 3.25Å; V90-G92 WeakPolarHBondContact CG1-O 3.23Å; G92-I131 CarbonylContact C-O 3.32Å; G92-I131 VanDerWaalsContact CA-O 3.23Å; G92-I131 WeakPolarHBondContact CA-O 3.46Å
93Y98.9Very high98.7Very high1 Ų125.9 Ų25.90%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-137.5167-169.4-48.7-80.2000111.3L70 G71 V72 M87 V90 I131 K133 I136 P139L70-Y93 HydrophobicContact CD1-CD1 4.42Å; L70-Y93 HydrophobicContact CD1-CG 4.44Å; L70-Y93 HydrophobicContact CD2-CD1 4.37Å; L70-Y93 HydrophobicContact CG-CD1 4.47Å; G71-Y93 CarbonylContact O-C 3.52Å; G71-Y93 WeakPolarHBondContact O-CA 2.95Å; G71-Y93 WeakPolarHBondContact O-CB 3.44Å; V72-Y93 HydrophobicContact CG2-CD1 4.26Å; V72-Y93 HydrophobicContact CG2-CE1 4.35Å; M87-Y93 WeakPolarHBondContact CE-OH 3.32Å; V90-Y93 HydrophobicContact CG1-CE1 4.05Å; Y93-I131 PolarHBondContact N-O 3.36Å; Y93-I131 WeakPolarHBondContact O-CB 3.24Å; Y93-I131 PolarHBondContact O-N 3.17Å; Y93-K133 HydrophobicContact CE2-CB 4.39Å; Y93-K133 HydrophobicContact CE2-CG 4.24Å; Y93-I136 HydrophobicContact CD2-CB 3.77Å; Y93-I136 HydrophobicContact CD2-CD1 3.8Å; Y93-I136 HydrophobicContact CD2-CG1 4.12Å; Y93-I136 HydrophobicContact CD2-CG2 4.37Å; Y93-I136 HydrophobicContact CE2-CB 3.68Å; Y93-I136 HydrophobicContact CE2-CG2 4.12Å; Y93-I136 HydrophobicContact CG-CD1 4.09Å; Y93-P139 HydrophobicContact CE1-CB 3.65Å; Y93-P139 HydrophobicContact CE1-CG 4.26Å; Y93-P139 WeakPolarHBondContact OH-CG 3.3Å
94A98.9Very high98.7Very high0 Ų022.4 Ų22.40%013%0.128CC..EExtended strand (participates in β ladder)trans-148.1145.3164.900000108.2F9 G71 V127F9-A94 HydrophobicContact CE1-CB 4.07Å; F9-A94 HydrophobicContact CZ-CB 3.89Å; G71-A94 VanDerWaalsContact CA-O 3.26Å; G71-A94 WeakPolarHBondContact CA-O 3.24Å; G71-A94 PolarHBondContact N-O 3.41Å; G71-A94 PolarHBondContact O-N 3.06Å; A94-V127 HydrophobicContact CB-CG2 3.69Å
95L98.9Very high98.7Very high0 Ų017.5 Ų17.50%09%0.092CC..EExtended strand (participates in β ladder)trans-79.3132.8168.6-168.466.8000108.5I68 S128 I144 A203 I205 V209 M211I68-L95 HydrophobicContact CD1-CD1 3.94Å; I68-L95 HydrophobicContact CD1-CD2 4.1Å; I68-L95 HydrophobicContact CD1-CG 4.27Å; I68-L95 HydrophobicContact CG1-CD1 3.85Å; I68-L95 HydrophobicContact CG1-CG 4.27Å; L95-S128 PolarHBondContact N-OG 2.83Å; L95-S128 PolarHBondContact O-N 2.64Å; L95-I144 HydrophobicContact CD1-CB 4.2Å; L95-I144 HydrophobicContact CD1-CG2 3.66Å; L95-A203 HydrophobicContact CD2-CB 4.06Å; L95-I205 HydrophobicContact CD1-CD1 4.26Å; L95-I205 HydrophobicContact CD1-CG1 4.2Å; L95-V209 HydrophobicContact CB-CG1 4.12Å; L95-M211 HydrophobicContact CB-CE 4.24Å; L95-M211 HydrophobicContact CB-SD 4.31Å; L95-M211 HydrophobicContact CD2-CE 3.98Å; L95-M211 HydrophobicContact CD2-SD 4.49Å; L95-M211 HydrophobicContact CG-CE 3.81Å; L95-M211 HydrophobicContact CG-SD 4.47Å
96C98.9Very high98.6Very high0 Ų020.1 Ų20.10%011%0.105CC..EExtended strand (participates in β ladder)trans-130156.8-173.7-57.20000111.1E69 P126 L185E69-C96 PolarHBondContact N-O 2.9Å; E69-C96 PolarHBondContact O-N 2.81Å; C96-P126 CarbonylContact C-O 3.55Å; C96-P126 VanDerWaalsContact CA-O 3.25Å; C96-P126 WeakPolarHBondContact CA-O 3.49Å; C96-L185 HydrophobicContact CB-CD1 3.88Å; C96-L185 HydrophobicContact CB-CD2 4.23Å; C96-L185 HydrophobicContact CB-CG 4.07Å
97L98.9Very high98.6Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-112.7123.5164.3-51.5-180000109.7I55 E67 I68 M99 P126 L146 L201 A203 M211I55-L97 HydrophobicContact CD1-CD1 4.14Å; E67-L97 CarbonylContact O-C 3.45Å; E67-L97 VanDerWaalsContact O-CA 3.31Å; E67-L97 WeakPolarHBondContact O-CA 3.39Å; I68-L97 HydrophobicContact CB-CD2 4.11Å; I68-L97 HydrophobicContact CG1-CD2 4.24Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 HydrophobicContact CB-CG 4.3Å; L97-M99 HydrophobicContact CB-SD 3.71Å; L97-M99 HydrophobicContact CD1-SD 4.04Å; L97-M99 PolarHBondContact O-N 3.11Å; L97-P126 HydrophobicContact CB-CB 4.01Å; L97-P126 HydrophobicContact CB-CG 3.99Å; L97-P126 HydrophobicContact CD1-CB 3.98Å; L97-P126 HydrophobicContact CD1-CG 4.15Å; L97-P126 HydrophobicContact CG-CB 4.05Å; L97-P126 HydrophobicContact CG-CG 4.41Å; L97-P126 PolarHBondContact N-O 2.91Å; L97-P126 VanDerWaalsContact O-CD 3.31Å; L97-P126 WeakPolarHBondContact O-CD 3.22Å; L97-L146 HydrophobicContact CD1-CD1 4.49Å; L97-L146 HydrophobicContact CD2-CD1 3.43Å; L97-L146 VanDerWaalsContact CD2-CD1 3.43Å; L97-L201 HydrophobicContact CD1-CB 4.49Å; L97-L201 HydrophobicContact CD1-CD2 3.63Å; L97-A203 HydrophobicContact CD2-CB 4.49Å; L97-M211 HydrophobicContact CD1-CE 4.42Å; L97-M211 HydrophobicContact CD2-CE 3.75Å; L97-M211 HydrophobicContact CG-CE 3.7Å
98D98.9Very high98.6Very high0 Ų021.4 Ų21.40%011%0.113CC..  trans-85.376.6168.2-176.10.5000110.3F41 K43 E67 E69 T100 K119 L185F41-D98 WeakPolarHBondContact CZ-OD2 3.25Å; K43-D98 WeakPolarHBondContact CE-OD1 3.29Å; K43-D98 IonicContact NZ-OD1 3.65Å; K43-D98 PolarHBondContact NZ-OD1 3.34Å; E67-D98 HydrophobicContact CB-CB 3.87Å; E67-D98 WeakPolarHBondContact CB-O 3.47Å; E67-D98 WeakPolarHBondContact CG-O 3.5Å; E67-D98 PolarHBondContact O-N 3.01Å; E69-D98 HydrophobicContact CG-CB 4.35Å; D98-T100 PolarHBondContact O-N 3.2Å; D98-T100 PolarHBondContact O-OG1 3.23Å; D98-K119 WeakPolarHBondContact OD1-CD 3.47Å; D98-K119 IonicContact OD1-NZ 2.86Å; D98-K119 PolarHBondContact OD1-NZ 3.06Å; D98-K119 IonicContact OD2-NZ 3.63Å; D98-K119 PolarHBondContact OD2-NZ 2.8Å; D98-L185 HydrophobicContact CB-CD2 3.93Å
99M98.9Very high98.5Very high0 Ų018.7 Ų18.70%010%0.099CC..  trans-63128.5179.8-54.1-56.9-5400110.1K43 I55 V64 H65 H66 L97 F121 S124 P126 V195 L201K43-M99 PolarHBondContact NZ-O 3.36Å; I55-M99 HydrophobicContact CD1-CE 4.39Å; I55-M99 HydrophobicContact CD1-SD 4.04Å; I55-M99 HydrophobicContact CG2-CE 4.04Å; I55-M99 HydrophobicContact CG2-CG 4.2Å; V64-M99 HydrophobicContact CG1-CB 4.41Å; V64-M99 HydrophobicContact CG1-CE 3.79Å; H65-M99 WeakPolarHBondContact O-CA 3.41Å; H65-M99 WeakPolarHBondContact O-CE 3.33Å; H66-M99 HydrophobicContact CB-CE 4.36Å; H66-M99 HydrophobicContact CB-SD 4.43Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 HydrophobicContact CB-CG 4.3Å; L97-M99 HydrophobicContact CB-SD 3.71Å; L97-M99 HydrophobicContact CD1-SD 4.04Å; L97-M99 PolarHBondContact O-N 3.11Å; M99-F121 HydrophobicContact CB-CE2 4.44Å; M99-F121 HydrophobicContact CB-CZ 3.9Å; M99-F121 WeakPolarHBondContact O-CE1 3.31Å; M99-F121 WeakPolarHBondContact O-CZ 2.89Å; M99-S124 PolarHBondContact N-O 3.38Å; M99-P126 HydrophobicContact CG-CG 3.84Å; M99-P126 HydrophobicContact SD-CG 4.36Å; M99-V195 HydrophobicContact CE-CG2 4.12Å; M99-L201 HydrophobicContact SD-CD2 4.43Å
100T98.9Very high98.4Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-132.1119.9-168.3-58.30000111.4V64 H65 E67 D98 R102 Q105 A118 K119V64-T100 CarbonylContact C-O 3.59Å; V64-T100 VanDerWaalsContact CA-O 3.31Å; V64-T100 WeakPolarHBondContact CA-O 3.49Å; H65-T100 PolarHBondContact N-O 2.75Å; H65-T100 PolarHBondContact O-N 3.06Å; E67-T100 PolarHBondContact OE1-OG1 2.85Å; D98-T100 PolarHBondContact O-N 3.2Å; D98-T100 PolarHBondContact O-OG1 3.23Å; T100-R102 PolarHBondContact O-N 2.98Å; T100-Q105 HydrophobicContact CG2-CB 4.47Å; T100-A118 WeakPolarHBondContact CA-O 3.02Å; T100-K119 HydrophobicContact CG2-CD 3.91Å; T100-K119 WeakPolarHBondContact OG1-CD 3.44Å; T100-K119 WeakPolarHBondContact OG1-CE 3.29Å; T100-K119 PolarHBondContact OG1-NZ 2.78Å
101A98.7Very high98.4Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-7492.5167.500000108.8S61 S63 V64 V104 Q105 A118 F121S61-A101 WeakPolarHBondContact OG-CB 3.17Å; S63-A101 CarbonylContact O-C 3.51Å; V64-A101 HydrophobicContact CG2-CB 4.48Å; A101-V104 HydrophobicContact CB-CB 4.02Å; A101-V104 HydrophobicContact CB-CG2 3.9Å; A101-V104 WeakPolarHBondContact O-CB 3.43Å; A101-V104 PolarHBondContact O-N 3.47Å; A101-Q105 PolarHBondContact O-N 3.27Å; A101-A118 PolarHBondContact N-O 3.13Å; A101-F121 HydrophobicContact CB-CE1 4.4Å
102R98.3Very high98.3Very high18 Ų1829.9 Ų29.97%0.06817%0.173CC..Hα-helixtrans-67.8-42.4-168.2-174.969.668.5-155.2-2.5112.4S63 H65 E67 T100 V104 Q105 D106S63-R102 PolarHBondContact O-N 3.06Å; H65-R102 VanDerWaalsContact CD2-CB 3.47Å; H65-R102 WeakPolarHBondContact CD2-CB 3.38Å; E67-R102 IonicContact OE1-CZ 3.08Å; E67-R102 VanDerWaalsContact OE1-CZ 3.24Å; E67-R102 IonicContact OE1-NH1 2.63Å; E67-R102 PolarHBondContact OE1-NH1 3.27Å; E67-R102 IonicContact OE1-NH2 3.85Å; E67-R102 PolarHBondContact OE1-NH2 2.57Å; T100-R102 PolarHBondContact O-N 2.98Å; R102-V104 VanDerWaalsContact C-N 3.26Å; R102-V104 PolarHBondContact O-N 2.86Å; R102-Q105 WeakPolarHBondContact O-CB 3.3Å; R102-Q105 PolarHBondContact O-N 3.3Å; R102-Q105 VanDerWaalsContact O-N 3.08Å; R102-D106 PolarHBondContact O-N 2.85Å
103D98.4Very high98.3Very high55 Ų5534 Ų3429%0.29419%0.194SC..Hα-helixtrans-55.5-43.3174.353.7-13000111.6S61 N62 S63 D107S61-D103 PolarHBondContact OG-OD1 2.87Å; S61-D103 PolarHBondContact OG-OD2 2.98Å; N62-D103 PolarHBondContact N-OD2 3.15Å; S63-D103 PolarHBondContact N-OD2 3.08Å; D103-D107 PolarHBondContact O-N 2.72Å
104V98.6Very high98.2Very high20 Ų2038.5 Ų38.512%0.12122%0.224CC..Hα-helixtrans-68-40.8174.4-176.90000111.5Y60 A101 R102 D106 D107 C108 L117 A118Y60-V104 HydrophobicContact CD2-CG2 3.87Å; Y60-V104 HydrophobicContact CE2-CG2 4.17Å; A101-V104 HydrophobicContact CB-CB 4.02Å; A101-V104 HydrophobicContact CB-CG2 3.9Å; A101-V104 WeakPolarHBondContact O-CB 3.43Å; A101-V104 PolarHBondContact O-N 3.47Å; R102-V104 VanDerWaalsContact C-N 3.26Å; R102-V104 PolarHBondContact O-N 2.86Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 2.66Å; V104-D107 PolarHBondContact O-N 2.97Å; V104-C108 WeakPolarHBondContact O-CB 3.22Å; V104-C108 PolarHBondContact O-N 2.84Å; V104-C108 PolarHBondContact O-SG 3.19Å; V104-L117 HydrophobicContact CG1-CB 3.71Å; V104-A118 HydrophobicContact CB-CB 4.28Å; V104-A118 HydrophobicContact CG1-CB 4.17Å
105Q98.4Very high98.2Very high12 Ų1241.2 Ų41.26%0.05623%0.234CC..Hα-helixtrans-61.6-42.8179.1-162.6-172.229.600112T100 A101 R102 C108 K109 W115 A118T100-Q105 HydrophobicContact CG2-CB 4.47Å; A101-Q105 PolarHBondContact O-N 3.27Å; R102-Q105 WeakPolarHBondContact O-CB 3.3Å; R102-Q105 PolarHBondContact O-N 3.3Å; R102-Q105 VanDerWaalsContact O-N 3.08Å; Q105-C108 PolarHBondContact O-N 2.9Å; Q105-K109 HydrophobicContact CG-CD 4.24Å; Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 WeakPolarHBondContact O-CG 3.48Å; Q105-K109 PolarHBondContact O-N 3.26Å; Q105-W115 HydrophobicContact CG-CD2 4.32Å; Q105-A118 HydrophobicContact CB-CB 3.69Å; Q105-A118 HydrophobicContact CG-CB 4.11Å
106D97.4Very high98.2Very high79 Ų7945.5 Ų45.542%0.42226%0.26SS..Hα-helixtrans-65.9-41179.3-72.8-29.5000111.3R102 V104 K109 S110R102-D106 PolarHBondContact O-N 2.85Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 2.66Å; D106-K109 PolarHBondContact O-N 2.75Å; D106-K109 IonicContact OD1-NZ 2.66Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-N 3.28Å
107D98.1Very high98.2Very high68 Ų6850.3 Ų50.336%0.36429%0.286SS..Hα-helixtrans-60.5-48.1171.9-171.467.9000111.5D103 V104 K109 S110 K111D103-D107 PolarHBondContact O-N 2.72Å; V104-D107 PolarHBondContact O-N 2.97Å; D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact O-N 2.85Å; D107-S110 PolarHBondContact O-N 2.86Å; D107-S110 PolarHBondContact O-OG 2.78Å; D107-K111 PolarHBondContact O-N 2.86Å; D107-K111 VanDerWaalsContact O-N 3.13Å; D107-K111 WeakPolarHBondContact OD1-CE 3.4Å; D107-K111 IonicContact OD1-NZ 2.77Å; D107-K111 PolarHBondContact OD1-NZ 3.4Å; D107-K111 IonicContact OD2-NZ 2.89Å; D107-K111 PolarHBondContact OD2-NZ 3.5Å
108C98.1Very high98.2Very high6 Ų650.3 Ų50.34%0.04129%0.286CS..Hα-helixtrans-56.9-45.9176.7-710000111.9V104 Q105 K111 G112 L113 P114V104-C108 WeakPolarHBondContact O-CB 3.22Å; V104-C108 PolarHBondContact O-N 2.84Å; V104-C108 PolarHBondContact O-SG 3.19Å; Q105-C108 PolarHBondContact O-N 2.9Å; C108-K111 PolarHBondContact O-N 3.15Å; C108-G112 PolarHBondContact O-N 3.15Å; C108-L113 HydrophobicContact CB-CB 4.28Å; C108-L113 PolarHBondContact O-N 3.28Å; C108-P114 PolarHBondContact SG-O 3.48Å; C108-P114 VanDerWaalsContact SG-O 3.37Å
109K96.1Very high98.2Very high80 Ų8050.6 Ų50.635%0.34829%0.287SS..Hα-helixtrans-62.2-44177.6-75.1165.460.8-162.50111.8Q105 D106 D107 K111 G112 W115Q105-K109 HydrophobicContact CG-CD 4.24Å; Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 WeakPolarHBondContact O-CG 3.48Å; Q105-K109 PolarHBondContact O-N 3.26Å; D106-K109 PolarHBondContact O-N 2.75Å; D106-K109 IonicContact OD1-NZ 2.66Å; D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact O-N 2.85Å; K109-K111 PolarHBondContact O-N 2.83Å; K109-G112 PolarHBondContact O-N 2.92Å; K109-W115 HydrophobicContact CD-CZ2 4.07Å; K109-W115 HydrophobicContact CG-CZ2 3.79Å
110S97.4Very high98.1Very high93 Ų9351.3 Ų51.365%0.6529%0.293SS*.Hα-helixtrans-63.3-29.2-179.277.50000113.1D106 D107D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-N 3.28Å; D107-S110 PolarHBondContact O-N 2.86Å; D107-S110 PolarHBondContact O-OG 2.78Å
111K97.6Very high98.1Very high125 Ų12552 Ų5254%0.54330%0.296SS..Hα-helixtrans-101.9-1.6-177.7-66.3171.9-176.9163.60114.1D107 C108 K109 L113D107-K111 PolarHBondContact O-N 2.86Å; D107-K111 VanDerWaalsContact O-N 3.13Å; D107-K111 WeakPolarHBondContact OD1-CE 3.4Å; D107-K111 IonicContact OD1-NZ 2.77Å; D107-K111 PolarHBondContact OD1-NZ 3.4Å; D107-K111 IonicContact OD2-NZ 2.89Å; D107-K111 PolarHBondContact OD2-NZ 3.5Å; C108-K111 PolarHBondContact O-N 3.15Å; K109-K111 PolarHBondContact O-N 2.83Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 HydrophobicContact CB-CD1 3.82Å; K111-L113 HydrophobicContact CB-CG 3.74Å; K111-L113 HydrophobicContact CD-CD1 3.91Å; K111-L113 PolarHBondContact O-N 2.85Å
112G97.3Very high98.1Very high70 Ų7056.6 Ų56.672%0.72232%0.32SS*.THydrogen-bonded Turntrans64.230.9-17400000113.9C108 K109C108-G112 PolarHBondContact O-N 3.15Å; K109-G112 PolarHBondContact O-N 2.92Å
113L98.1Very high98.1Very high86 Ų8656.5 Ų56.545%0.4532%0.322SS..  trans-91.9157.1-178.7-64174000112.3C108 K111C108-L113 HydrophobicContact CB-CB 4.28Å; C108-L113 PolarHBondContact O-N 3.28Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 HydrophobicContact CB-CD1 3.82Å; K111-L113 HydrophobicContact CB-CG 3.74Å; K111-L113 HydrophobicContact CD-CD1 3.91Å; K111-L113 PolarHBondContact O-N 2.85Å
114P98.4Very high98.1Very high96 Ų9653.9 Ų53.962%0.62331%0.308SS*.  trans-58.2146.9171.8-23.434000112.9C108 T116C108-P114 PolarHBondContact SG-O 3.48Å; C108-P114 VanDerWaalsContact SG-O 3.37Å; P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.05Å
115W98.5Very high98.1Very high58 Ų5853 Ų5322%0.2230%0.302CS..SBendtrans-84.610.8-178.2-64.92000114.3V39 F41 Q105 K109 L117 A118 K119V39-W115 HydrophobicContact CG1-CH2 4.32Å; V39-W115 HydrophobicContact CG1-CZ3 4.43Å; F41-W115 HydrophobicContact CD1-CE3 4.21Å; F41-W115 HydrophobicContact CD1-CZ3 4.23Å; F41-W115 HydrophobicContact CE1-CZ3 4.5Å; F41-W115 HydrophobicContact CG-CE3 4.42Å; Q105-W115 HydrophobicContact CG-CD2 4.32Å; K109-W115 HydrophobicContact CD-CZ2 4.07Å; K109-W115 HydrophobicContact CG-CZ2 3.79Å; W115-L117 VanDerWaalsContact C-N 3.32Å; W115-L117 PolarHBondContact O-N 2.82Å; W115-A118 WeakPolarHBondContact O-CA 3.39Å; W115-A118 WeakPolarHBondContact O-CB 3.23Å; W115-A118 PolarHBondContact O-N 3.41Å; W115-K119 HydrophobicContact CB-CG 4.27Å; W115-K119 HydrophobicContact CE3-CG 4.39Å; W115-K119 PolarHBondContact O-N 3.13Å
116T98.6Very high98.1Very high89 Ų8952.4 Ų52.455%0.54630%0.299SS..Hα-helixtrans-53.5-46.4-173.5-48.60000112.6P114 A118 A120P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.05Å; T116-A118 VanDerWaalsContact C-N 3.29Å; T116-A118 PolarHBondContact O-N 2.97Å; T116-A120 HydrophobicContact CG2-CB 4.1Å; T116-A120 WeakPolarHBondContact O-CA 3.15Å; T116-A120 WeakPolarHBondContact O-CB 3.41Å; T116-A120 PolarHBondContact O-N 3.47Å
117L98.3Very high98.2Very high102 Ų10248.7 Ų48.753%0.53428%0.28SS..Hα-helixtrans-68-30.8178.5-62.4176.5000112.5Y60 V104 W115Y60-L117 WeakPolarHBondContact CE2-O 3.36Å; Y60-L117 PolarHBondContact OH-O 2.79Å; Y60-L117 VanDerWaalsContact OH-O 3.11Å; V104-L117 HydrophobicContact CG1-CB 3.71Å; W115-L117 VanDerWaalsContact C-N 3.32Å; W115-L117 PolarHBondContact O-N 2.82Å
118A98.7Very high98.2Very high0 Ų045.7 Ų45.70%026%0.264CS..Hα-helixtrans-80.2-31.6-17900000113.3T100 A101 V104 Q105 W115 T116 F121T100-A118 WeakPolarHBondContact CA-O 3.02Å; A101-A118 PolarHBondContact N-O 3.13Å; V104-A118 HydrophobicContact CB-CB 4.28Å; V104-A118 HydrophobicContact CG1-CB 4.17Å; Q105-A118 HydrophobicContact CB-CB 3.69Å; Q105-A118 HydrophobicContact CG-CB 4.11Å; W115-A118 WeakPolarHBondContact O-CA 3.39Å; W115-A118 WeakPolarHBondContact O-CB 3.23Å; W115-A118 PolarHBondContact O-N 3.41Å; T116-A118 VanDerWaalsContact C-N 3.29Å; T116-A118 PolarHBondContact O-N 2.97Å; A118-F121 WeakPolarHBondContact O-CE1 3.12Å
119K98.8Very high98.2Very high6 Ų652.4 Ų52.43%0.02630%0.295CS..Hα-helixtrans-122.3-24.6-166.9-72.8-69.3-164.7171.50115F41 K43 E67 D98 T100 W115 S124F41-K119 HydrophobicContact CD2-CB 3.78Å; F41-K119 HydrophobicContact CD2-CD 4.23Å; F41-K119 HydrophobicContact CD2-CG 3.84Å; F41-K119 HydrophobicContact CE2-CB 3.82Å; F41-K119 HydrophobicContact CE2-CD 3.5Å; F41-K119 HydrophobicContact CE2-CG 3.65Å; F41-K119 HydrophobicContact CZ-CD 3.86Å; F41-K119 HydrophobicContact CZ-CG 4.29Å; K43-K119 WeakPolarHBondContact CG-O 3.34Å; K43-K119 PolarHBondContact NZ-O 3.01Å; E67-K119 IonicContact OE1-NZ 2.57Å; E67-K119 PolarHBondContact OE1-NZ 2.75Å; E67-K119 IonicContact OE2-NZ 3.15Å; E67-K119 PolarHBondContact OE2-NZ 3.17Å; D98-K119 WeakPolarHBondContact OD1-CD 3.47Å; D98-K119 IonicContact OD1-NZ 2.86Å; D98-K119 PolarHBondContact OD1-NZ 3.06Å; D98-K119 IonicContact OD2-NZ 3.63Å; D98-K119 PolarHBondContact OD2-NZ 2.8Å; T100-K119 HydrophobicContact CG2-CD 3.91Å; T100-K119 WeakPolarHBondContact OG1-CD 3.44Å; T100-K119 WeakPolarHBondContact OG1-CE 3.29Å; T100-K119 PolarHBondContact OG1-NZ 2.78Å; W115-K119 HydrophobicContact CB-CG 4.27Å; W115-K119 HydrophobicContact CE3-CG 4.39Å; W115-K119 PolarHBondContact O-N 3.13Å; K119-S124 PolarHBondContact O-OG 3.49Å; K119-S124 VanDerWaalsContact O-OG 3.13Å
120A98.6Very high98.4Very high14 Ų1450.2 Ų50.212%0.11629%0.285CS..SBendtrans-115.727.1-167.600000114.3T116T116-A120 HydrophobicContact CG2-CB 4.1Å; T116-A120 WeakPolarHBondContact O-CA 3.15Å; T116-A120 WeakPolarHBondContact O-CB 3.41Å; T116-A120 PolarHBondContact O-N 3.47Å
121F98.4Very high98.4Very high16 Ų1646 Ų467%0.0726%0.255CS..SBendtrans-78.3164.4177.559-86.7000112.3P58 Y60 V64 M99 A101 A118 S124P58-F121 HydrophobicContact CG-CD2 4.16Å; P58-F121 HydrophobicContact CG-CE2 4.36Å; P58-F121 HydrophobicContact CG-CG 4.36Å; Y60-F121 VanDerWaalsContact OH-CB 3.24Å; Y60-F121 WeakPolarHBondContact OH-CB 3.42Å; V64-F121 HydrophobicContact CG1-CZ 4.36Å; M99-F121 HydrophobicContact CB-CE2 4.44Å; M99-F121 HydrophobicContact CB-CZ 3.9Å; M99-F121 WeakPolarHBondContact O-CE1 3.31Å; M99-F121 WeakPolarHBondContact O-CZ 2.89Å; A101-F121 HydrophobicContact CB-CE1 4.4Å; A118-F121 WeakPolarHBondContact O-CE1 3.12Å; F121-S124 PolarHBondContact N-OG 3.41Å; F121-S124 WeakPolarHBondContact O-CB 3.45Å; F121-S124 PolarHBondContact O-N 2.9Å; F121-S124 VanDerWaalsContact O-N 3.17Å; F121-S124 PolarHBondContact O-OG 2.95Å
122N97.6Very high98.5Very high96 Ų9642.3 Ų42.351%0.51324%0.244SC..THydrogen-bonded Turntrans-56.6144.3176.7-69.6-11.5000110.6S124N122-S124 PolarHBondContact O-N 3.21Å
123T98.2Very high98.5Very high16 Ų1642.1 Ų42.110%0.09822%0.224CC..THydrogen-bonded Turntrans62.112.7-177.575.50000115.3A47 L49 L56 C125 P126A47-T123 CarbonylContact O-C 3.5Å; A47-T123 WeakPolarHBondContact O-CA 3.33Å; L49-T123 HydrophobicContact CD1-CG2 3.98Å; L56-T123 HydrophobicContact CB-CG2 4.44Å; L56-T123 HydrophobicContact CD1-CG2 4.26Å; L56-T123 HydrophobicContact CG-CG2 4.2Å; L56-T123 PolarHBondContact N-OG1 3.21Å; T123-C125 VanDerWaalsContact C-N 3.26Å; T123-C125 PolarHBondContact O-N 2.85Å; T123-P126 WeakPolarHBondContact O-CD 3.49Å
124S98.8Very high98.5Very high0 Ų045.4 Ų45.40%024%0.237CC..  trans-79.7-2.9-178.466.80000114.9K43 A47 M99 K119 F121 N122 P126K43-S124 PolarHBondContact NZ-O 3.04Å; A47-S124 WeakPolarHBondContact CB-OG 3.11Å; A47-S124 PolarHBondContact O-N 3.05Å; M99-S124 PolarHBondContact N-O 3.38Å; K119-S124 PolarHBondContact O-OG 3.49Å; K119-S124 VanDerWaalsContact O-OG 3.13Å; F121-S124 PolarHBondContact N-OG 3.41Å; F121-S124 WeakPolarHBondContact O-CB 3.45Å; F121-S124 PolarHBondContact O-N 2.9Å; F121-S124 VanDerWaalsContact O-N 3.17Å; F121-S124 PolarHBondContact O-OG 2.95Å; N122-S124 PolarHBondContact O-N 3.21Å; S124-P126 VanDerWaalsContact C-CD 3.47Å
125C98.9Very high98.5Very high0 Ų047 Ų470%023%0.23CC..EExtended strand (participates in β ladder)trans-128.268174.7-165.10000111.9I16 K43 A47 Y48 L49 T123 V127I16-C125 HydrophobicContact CD1-CB 4.06Å; K43-C125 HydrophobicContact CD-CB 3.85Å; A47-C125 HydrophobicContact CB-CB 3.97Å; A47-C125 WeakPolarHBondContact O-CA 3.35Å; A47-C125 PolarHBondContact O-N 3.38Å; Y48-C125 WeakPolarHBondContact CA-O 3.48Å; Y48-C125 HydrophobicContact CD1-CB 4.5Å; L49-C125 PolarHBondContact N-O 3.17Å; T123-C125 VanDerWaalsContact C-N 3.26Å; T123-C125 PolarHBondContact O-N 2.85Å; C125-V127 PolarHBondContact O-N 3.49Å
126P98.9Very high98.5Very high0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-51131.1162.5-24.635.5000110.5L49 I55 C96 L97 M99 T123 S124 F213L49-P126 HydrophobicContact CD2-CG 4.2Å; L49-P126 CarbonylContact O-C 3.58Å; L49-P126 VanDerWaalsContact O-CA 3.29Å; L49-P126 WeakPolarHBondContact O-CA 3.13Å; I55-P126 HydrophobicContact CD1-CG 3.76Å; I55-P126 HydrophobicContact CG1-CG 3.6Å; C96-P126 CarbonylContact C-O 3.55Å; C96-P126 VanDerWaalsContact CA-O 3.25Å; C96-P126 WeakPolarHBondContact CA-O 3.49Å; L97-P126 HydrophobicContact CB-CB 4.01Å; L97-P126 HydrophobicContact CB-CG 3.99Å; L97-P126 HydrophobicContact CD1-CB 3.98Å; L97-P126 HydrophobicContact CD1-CG 4.15Å; L97-P126 HydrophobicContact CG-CB 4.05Å; L97-P126 HydrophobicContact CG-CG 4.41Å; L97-P126 PolarHBondContact N-O 2.91Å; L97-P126 VanDerWaalsContact O-CD 3.31Å; L97-P126 WeakPolarHBondContact O-CD 3.22Å; M99-P126 HydrophobicContact CG-CG 3.84Å; M99-P126 HydrophobicContact SD-CG 4.36Å; T123-P126 WeakPolarHBondContact O-CD 3.49Å; S124-P126 VanDerWaalsContact C-CD 3.47Å; P126-F213 HydrophobicContact CB-CD1 4.17Å; P126-F213 HydrophobicContact CB-CD2 3.93Å; P126-F213 HydrophobicContact CB-CE1 3.96Å; P126-F213 HydrophobicContact CB-CE2 3.71Å; P126-F213 HydrophobicContact CB-CG 4.15Å; P126-F213 HydrophobicContact CB-CZ 3.72Å
127V98.9Very high98.3Very high1 Ų146.4 Ų46.41%0.00624%0.235CC..BIsolated β-bridgetrans-138.6136.1-171.665.60000110.3F9 W10 Y48 L49 T50 A94 C125F9-V127 HydrophobicContact CE1-CG2 4.47Å; F9-V127 HydrophobicContact CZ-CG2 3.72Å; W10-V127 HydrophobicContact CB-CG1 4.41Å; Y48-V127 HydrophobicContact CD1-CB 4.31Å; Y48-V127 HydrophobicContact CD1-CG1 3.89Å; L49-V127 PolarHBondContact O-N 3.13Å; T50-V127 HydrophobicContact CG2-CG1 4.17Å; A94-V127 HydrophobicContact CB-CG2 3.69Å; C125-V127 PolarHBondContact O-N 3.49Å
128S98.8Very high98.3Very high5 Ų546 Ų464%0.03523%0.233CC..  trans-71.7175.9175.674.90000111.8L95L95-S128 PolarHBondContact N-OG 2.83Å; L95-S128 PolarHBondContact O-N 2.64Å
129E98.2Very high98.3Very high148 Ų14846.6 Ų46.669%0.69224%0.237SC*.  trans-55.9153.9160.2-60.5-168.9137.600111.3
130F98.8Very high98.2Very high34 Ų3447.8 Ų47.815%0.14925%0.251CS..  trans-65.9134175.9172.9-99.4000111.3I6 F9 W10 V73 A91 P132I6-F130 HydrophobicContact CG1-CE2 4.25Å; I6-F130 HydrophobicContact CG1-CZ 4.43Å; I6-F130 HydrophobicContact CG2-CE1 4.21Å; I6-F130 HydrophobicContact CG2-CZ 4.15Å; F9-F130 HydrophobicContact CD1-CB 4.45Å; F9-F130 HydrophobicContact CD1-CD2 4.19Å; F9-F130 HydrophobicContact CE1-CB 4.49Å; F9-F130 HydrophobicContact CE1-CD2 4.43Å; W10-F130 HydrophobicContact CZ3-CB 4.46Å; V73-F130 HydrophobicContact CB-CD2 4.39Å; V73-F130 HydrophobicContact CB-CE2 4.05Å; V73-F130 HydrophobicContact CG1-CD2 4.46Å; V73-F130 HydrophobicContact CG1-CE2 4.17Å; V73-F130 HydrophobicContact CG2-CD2 4.12Å; V73-F130 HydrophobicContact CG2-CE2 4.25Å; A91-F130 HydrophobicContact CB-CE2 4.26Å; A91-F130 HydrophobicContact CB-CZ 4.17Å; F130-P132 HydrophobicContact CD1-CG 4.38Å; F130-P132 HydrophobicContact CE1-CB 4.3Å; F130-P132 HydrophobicContact CE1-CG 4.1Å
131I98.8Very high98.2Very high3 Ų351.8 Ų51.82%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-106.7112.7178.1-50.3167.3000107.7G92 Y93 R135 I136 I205 V208 V209G92-I131 CarbonylContact C-O 3.32Å; G92-I131 VanDerWaalsContact CA-O 3.23Å; G92-I131 WeakPolarHBondContact CA-O 3.46Å; Y93-I131 PolarHBondContact N-O 3.36Å; Y93-I131 WeakPolarHBondContact O-CB 3.24Å; Y93-I131 PolarHBondContact O-N 3.17Å; I131-R135 HydrophobicContact CG2-CB 3.87Å; I131-I136 HydrophobicContact CD1-CD1 4.15Å; I131-I136 HydrophobicContact CG2-CD1 3.95Å; I131-I136 HydrophobicContact CG2-CG1 4.03Å; I131-I205 HydrophobicContact CD1-CD1 4.11Å; I131-V208 HydrophobicContact CD1-CG1 4.03Å; I131-V208 HydrophobicContact CG1-CG1 4.33Å; I131-V208 HydrophobicContact CG2-CG1 3.58Å; I131-V209 HydrophobicContact CD1-CB 4.14Å; I131-V209 HydrophobicContact CD1-CG1 3.6Å; I131-V209 HydrophobicContact CG1-CB 4.28Å; I131-V209 HydrophobicContact CG1-CG1 4.27Å
132P98.5Very high98.1Very high49 Ų4951.5 Ų51.532%0.31827%0.27SS..EExtended strand (participates in β ladder)trans-56.3142.7174.3-24.133.7000111.3F130 E134 R135F130-P132 HydrophobicContact CD1-CG 4.38Å; F130-P132 HydrophobicContact CE1-CB 4.3Å; F130-P132 HydrophobicContact CE1-CG 4.1Å; P132-E134 WeakPolarHBondContact CB-OE2 3.46Å; P132-E134 PolarHBondContact O-N 3.43Å; P132-E134 VanDerWaalsContact O-N 3.07Å; P132-R135 WeakPolarHBondContact O-CB 3.45Å; P132-R135 PolarHBondContact O-N 2.84Å
133K98.1Very high98.2Very high66 Ų6653.4 Ų53.429%0.28727%0.274SS..G310 helixtrans-52.8-34.8-177.1-179.5178172.4-174.70112.8M87 A91 Y93 R135 I136M87-K133 PolarHBondContact O-NZ 2.8Å; A91-K133 WeakPolarHBondContact O-CB 3.23Å; A91-K133 PolarHBondContact O-N 2.88Å; Y93-K133 HydrophobicContact CE2-CB 4.39Å; Y93-K133 HydrophobicContact CE2-CG 4.24Å; K133-R135 PolarHBondContact O-N 3.2Å; K133-I136 CarbonylContact O-C 3.55Å; K133-I136 VanDerWaalsContact O-C 3.32Å; K133-I136 PolarHBondContact O-N 3.19Å; K133-I136 VanDerWaalsContact O-N 3.09Å; K133-I136 VanDerWaalsContact O-O 3.06Å
134E97.8Very high98.2Very high155 Ų15552.6 Ų52.672%0.72427%0.269SS*.G310 helixtrans-65.1-23.4-178.4-58.469.4-146.400112.9P132 I136P132-E134 WeakPolarHBondContact CB-OE2 3.46Å; P132-E134 PolarHBondContact O-N 3.43Å; P132-E134 VanDerWaalsContact O-N 3.07Å; E134-I136 VanDerWaalsContact C-N 3.3Å
135R98.2Very high98.2Very high130 Ų13054.1 Ų54.149%0.49128%0.275SS..G310 helixtrans-78.3-14.2176.4-64.8-163.469.5-163.3-0.5113.3I131 P132 K133 D207 V208I131-R135 HydrophobicContact CG2-CB 3.87Å; P132-R135 WeakPolarHBondContact O-CB 3.45Å; P132-R135 PolarHBondContact O-N 2.84Å; K133-R135 PolarHBondContact O-N 3.2Å; R135-D207 PolarHBondContact NH2-O 2.76Å; R135-V208 PolarHBondContact NH1-O 2.94Å; R135-V208 PolarHBondContact NH2-O 3.14Å
136I98.2Very high98.2Very high8 Ų854.1 Ų54.14%0.04128%0.275CS..  trans-130.681.7176.1-58.3-178000108.1L70 Y93 I131 K133 E134 D138 P139 V142 I205 V208L70-I136 HydrophobicContact CD1-CD1 4.49Å; Y93-I136 HydrophobicContact CD2-CB 3.77Å; Y93-I136 HydrophobicContact CD2-CD1 3.8Å; Y93-I136 HydrophobicContact CD2-CG1 4.12Å; Y93-I136 HydrophobicContact CD2-CG2 4.37Å; Y93-I136 HydrophobicContact CE2-CB 3.68Å; Y93-I136 HydrophobicContact CE2-CG2 4.12Å; Y93-I136 HydrophobicContact CG-CD1 4.09Å; I131-I136 HydrophobicContact CD1-CD1 4.15Å; I131-I136 HydrophobicContact CG2-CD1 3.95Å; I131-I136 HydrophobicContact CG2-CG1 4.03Å; K133-I136 CarbonylContact O-C 3.55Å; K133-I136 VanDerWaalsContact O-C 3.32Å; K133-I136 PolarHBondContact O-N 3.19Å; K133-I136 VanDerWaalsContact O-N 3.09Å; K133-I136 VanDerWaalsContact O-O 3.06Å; E134-I136 VanDerWaalsContact C-N 3.3Å; I136-D138 VanDerWaalsContact C-N 3.32Å; I136-D138 PolarHBondContact O-N 2.86Å; I136-P139 HydrophobicContact CG2-CB 3.99Å; I136-V142 HydrophobicContact CG2-CG2 3.44Å; I136-V142 VanDerWaalsContact CG2-CG2 3.44Å; I136-I205 HydrophobicContact CD1-CD1 4.17Å; I136-V208 HydrophobicContact CD1-CG1 4.31Å; I136-V208 HydrophobicContact CG1-CG1 4.26Å
137P95.6Very high98.2Very high126 Ų12655.5 Ų55.582%0.81828%0.282SS*.SBendtrans-66.7-32.5-176.725.2-33.8000113.1
138D97.7Very high98.2Very high92 Ų9255.5 Ų55.549%0.49228%0.282SS..  trans-121.591.9174.3-177.97.3000110.5I136 G140 N141 V142I136-D138 VanDerWaalsContact C-N 3.32Å; I136-D138 PolarHBondContact O-N 2.86Å; D138-G140 PolarHBondContact O-N 2.97Å; D138-G140 WeakPolarHBondContact OD1-CA 3.31Å; D138-G140 PolarHBondContact OD1-N 2.96Å; D138-N141 PolarHBondContact O-N 3.4Å; D138-N141 VanDerWaalsContact OD2-CB 3.3Å; D138-N141 WeakPolarHBondContact OD2-CB 3.42Å; D138-V142 WeakPolarHBondContact O-CG2 3.29Å
139P97.9Very high98.2Very high13 Ų1359.3 Ų59.38%0.08430%0.302CS..THydrogen-bonded Turntrans-72.6-9.8179.535.3-40.8000112.8L70 M87 Y93 I136 N141 T158 I165L70-P139 HydrophobicContact CD2-CB 4.33Å; M87-P139 HydrophobicContact CE-CG 3.91Å; Y93-P139 HydrophobicContact CE1-CB 3.65Å; Y93-P139 HydrophobicContact CE1-CG 4.26Å; Y93-P139 WeakPolarHBondContact OH-CG 3.3Å; I136-P139 HydrophobicContact CG2-CB 3.99Å; P139-N141 VanDerWaalsContact C-N 3.26Å; P139-T158 WeakPolarHBondContact O-CB 3.15Å; P139-T158 PolarHBondContact O-OG1 3.15Å; P139-I165 HydrophobicContact CB-CD1 3.65Å; P139-I165 HydrophobicContact CG-CD1 4.05Å
140G97.5Very high98.2Very high32 Ų3255.4 Ų55.433%0.3330%0.302SS..THydrogen-bonded Turntrans-82.51.4172.100000113.5D138 T158 S159D138-G140 PolarHBondContact O-N 2.97Å; D138-G140 WeakPolarHBondContact OD1-CA 3.31Å; D138-G140 PolarHBondContact OD1-N 2.96Å; G140-T158 CarbonylContact O-C 3.52Å; G140-S159 WeakPolarHBondContact O-CA 3.13Å; G140-S159 VanDerWaalsContact O-CB 3.23Å; G140-S159 WeakPolarHBondContact O-CB 3.46Å; G140-S159 PolarHBondContact O-N 2.98Å
141N97.8Very high98.2Very high97 Ų9759.7 Ų59.752%0.51932%0.322SS..SBendtrans-143.357.9178.9-171.328.4000112D138 P139 C157 T158D138-N141 PolarHBondContact O-N 3.4Å; D138-N141 VanDerWaalsContact OD2-CB 3.3Å; D138-N141 WeakPolarHBondContact OD2-CB 3.42Å; P139-N141 VanDerWaalsContact C-N 3.26Å; N141-C157 PolarHBondContact OD1-SG 2.87Å; N141-T158 PolarHBondContact N-OG1 3.18Å; N141-T158 VanDerWaalsContact N-OG1 3.14Å
142V98.1Very high98.2Very high10 Ų1064.3 Ų64.36%0.06135%0.345CS..  trans-113.3128.9-178.5-177.70000109.4I136 D138 I144 C157 T158 I205I136-V142 HydrophobicContact CG2-CG2 3.44Å; I136-V142 VanDerWaalsContact CG2-CG2 3.44Å; D138-V142 WeakPolarHBondContact O-CG2 3.29Å; V142-I144 HydrophobicContact CG1-CG2 4.3Å; V142-C157 CarbonylContact O-C 3.47Å; V142-C157 VanDerWaalsContact O-CA 3.29Å; V142-C157 WeakPolarHBondContact O-CA 3.47Å; V142-T158 HydrophobicContact CB-CG2 3.94Å; V142-T158 PolarHBondContact N-OG1 3.44Å; V142-T158 PolarHBondContact O-N 3.49Å; V142-I205 HydrophobicContact CG1-CD1 3.86Å; V142-I205 HydrophobicContact CG1-CG1 3.94Å; V142-I205 HydrophobicContact CG1-CG2 3.71Å
143K98.4Very high98.1Very high136 Ų13666.1 Ų66.159%0.59135%0.345SS*.EExtended strand (participates in β ladder)trans-85.9128.6171.9-65.5179.6-176.2173.60109.8G156K143-G156 WeakPolarHBondContact CA-O 3.33Å
144I98.7Very high98.2Very high0 Ų063 Ų630%033%0.332CS..EExtended strand (participates in β ladder)trans-122.8141.6176.256.5177.9000109.1I68 L95 V142 N155 G156 P189 I205I68-I144 HydrophobicContact CD1-CB 4.02Å; I68-I144 HydrophobicContact CG1-CB 4.44Å; I68-I144 HydrophobicContact CG1-CD1 4.37Å; I68-I144 HydrophobicContact CG2-CD1 4.19Å; I68-I144 HydrophobicContact CG2-CG1 4.47Å; L95-I144 HydrophobicContact CD1-CB 4.2Å; L95-I144 HydrophobicContact CD1-CG2 3.66Å; V142-I144 HydrophobicContact CG1-CG2 4.3Å; I144-N155 WeakPolarHBondContact O-CA 3.26Å; I144-G156 PolarHBondContact N-O 3.15Å; I144-G156 PolarHBondContact O-N 3.14Å; I144-P189 HydrophobicContact CD1-CG 4.28Å; I144-I205 HydrophobicContact CG2-CD1 4.24Å; I144-I205 HydrophobicContact CG2-CG1 3.71Å
145W98.8Very high98.1Very high32 Ų3260.5 Ų60.512%0.12132%0.324CS..EExtended strand (participates in β ladder)trans-140.1153179.358.7-101.2000112.4I68 M152 Q154 H202 A203 G204 D206I68-W145 VanDerWaalsContact CD1-C 3.41Å; I68-W145 WeakPolarHBondContact CD1-O 3.29Å; W145-M152 HydrophobicContact CB-CE 4.12Å; W145-M152 HydrophobicContact CB-SD 3.92Å; W145-Q154 CarbonylContact C-O 3.5Å; W145-Q154 VanDerWaalsContact CA-O 3.23Å; W145-Q154 WeakPolarHBondContact CA-O 3.26Å; W145-H202 AromaticContact CH2-CD2 3.33Å; W145-H202 WeakPolarHBondContact CH2-CD2 3.48Å; W145-H202 AromaticContact CH2-NE2 3.45Å; W145-H202 WeakPolarHBondContact CH2-NE2 3.42Å; W145-H202 AromaticContact CZ3-CD2 3.53Å; W145-H202 VanDerWaalsContact CZ3-O 3.25Å; W145-H202 WeakPolarHBondContact CZ3-O 3.32Å; W145-A203 CarbonylContact O-C 3.49Å; W145-A203 VanDerWaalsContact O-CA 3.22Å; W145-A203 WeakPolarHBondContact O-CA 3.22Å; W145-A203 WeakPolarHBondContact O-CB 3.4Å; W145-G204 PolarHBondContact N-O 3.25Å; W145-G204 PolarHBondContact O-N 3.23Å; W145-D206 PolarHBondContact NE1-OD1 2.96Å
146L98.9Very high98.1Very high0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-139.3126.5176.7-171.9150.6000110.5H66 I68 L97 V148 R153 Q154 L201 A203H66-L146 HydrophobicContact CB-CD1 4.08Å; I68-L146 HydrophobicContact CB-CB 4.23Å; I68-L146 HydrophobicContact CB-CD1 4.04Å; I68-L146 HydrophobicContact CD1-CB 4.05Å; I68-L146 HydrophobicContact CG2-CB 4.3Å; L97-L146 HydrophobicContact CD1-CD1 4.49Å; L97-L146 HydrophobicContact CD2-CD1 3.43Å; L97-L146 VanDerWaalsContact CD2-CD1 3.43Å; L146-V148 HydrophobicContact CD2-CG2 3.59Å; L146-R153 HydrophobicContact CD2-CB 4.2Å; L146-R153 PolarHBondContact O-N 3.48Å; L146-Q154 HydrophobicContact CB-CB 4.12Å; L146-Q154 PolarHBondContact N-O 2.78Å; L146-Q154 PolarHBondContact O-N 2.87Å; L146-Q154 VanDerWaalsContact O-N 3.15Å; L146-L201 HydrophobicContact CD1-CD2 4.49Å; L146-A203 HydrophobicContact CB-CB 4.36Å; L146-A203 HydrophobicContact CD1-CB 4.39Å; L146-A203 HydrophobicContact CG-CB 4.27Å
147N98.8Very high98.1Very high29 Ų2955 Ų5516%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-104.9141.9169.2-63.5-34.1000110.3Q151 M152 L201 H202N147-Q151 CarbonylContact C-O 3.39Å; N147-Q151 VanDerWaalsContact CA-O 3.23Å; N147-Q151 WeakPolarHBondContact CA-O 3.31Å; N147-M152 WeakPolarHBondContact OD1-CA 3.3Å; N147-M152 WeakPolarHBondContact OD1-CE 3.19Å; N147-M152 PolarHBondContact OD1-N 2.85Å; N147-M152 PolarHBondContact OD1-SD 2.77Å; N147-L201 WeakPolarHBondContact O-CA 3.16Å; N147-H202 PolarHBondContact N-O 3.08Å; N147-H202 PolarHBondContact O-N 3.26Å
148V98.8Very high98.2Very high0 Ų049.1 Ų49.10%027%0.268CS..EExtended strand (participates in β ladder)trans-115.6119.7166.3-178.40000107.7L146 G150 Q151 R153 D199 E200 L201L146-V148 HydrophobicContact CD2-CG2 3.59Å; V148-G150 PolarHBondContact O-N 2.89Å; V148-Q151 PolarHBondContact N-O 2.78Å; V148-Q151 WeakPolarHBondContact O-CB 3.47Å; V148-Q151 PolarHBondContact O-N 2.76Å; V148-R153 HydrophobicContact CB-CG 3.91Å; V148-R153 HydrophobicContact CG2-CB 4.4Å; V148-R153 HydrophobicContact CG2-CG 3.63Å; V148-D199 HydrophobicContact CG1-CB 4.1Å; V148-E200 WeakPolarHBondContact CA-O 3.45Å; V148-L201 HydrophobicContact CG2-CG 4.37Å
149N98.5Very high98.1Very high85 Ų8548.2 Ų48.246%0.45527%0.269SS..THydrogen-bonded Turntrans50.944-176.1-56.2-31.1000112.4Q151 D199 E200N149-Q151 PolarHBondContact O-N 2.88Å; N149-D199 PolarHBondContact ND2-OD1 3.46Å; N149-D199 WeakPolarHBondContact OD1-CA 3.5Å; N149-E200 PolarHBondContact N-O 3.26Å; N149-E200 PolarHBondContact OD1-N 3Å
150G98.2Very high98Very high67 Ų6752 Ų5269%0.69129%0.286SS*.THydrogen-bonded Turntrans75.1-1.1-178.400000115.6V148V148-G150 PolarHBondContact O-N 2.89Å
151Q98.4Very high98Very high123 Ų12351.8 Ų51.858%0.57528%0.276SS*.EExtended strand (participates in β ladder)trans-99.1124.6177.2-61.1-177.8-0.300111N147 V148 N149 R153N147-Q151 CarbonylContact C-O 3.39Å; N147-Q151 VanDerWaalsContact CA-O 3.23Å; N147-Q151 WeakPolarHBondContact CA-O 3.31Å; V148-Q151 PolarHBondContact N-O 2.78Å; V148-Q151 WeakPolarHBondContact O-CB 3.47Å; V148-Q151 PolarHBondContact O-N 2.76Å; N149-Q151 PolarHBondContact O-N 2.88Å; Q151-R153 PolarHBondContact O-N 3.46Å
152M98.4Very high97.9Very high100 Ų10050 Ų5049%0.49327%0.266SS..EExtended strand (participates in β ladder)trans-58.7123.4175.4-172.468.465.900111.2W145 N147 N155W145-M152 HydrophobicContact CB-CE 4.12Å; W145-M152 HydrophobicContact CB-SD 3.92Å; N147-M152 WeakPolarHBondContact OD1-CA 3.3Å; N147-M152 WeakPolarHBondContact OD1-CE 3.19Å; N147-M152 PolarHBondContact OD1-N 2.85Å; N147-M152 PolarHBondContact OD1-SD 2.77Å; M152-N155 HydrophobicContact CG-CB 4.47Å; M152-N155 HydrophobicContact SD-CB 4.1Å
153R98.3Very high97.9Very high87 Ų8750.5 Ų50.533%0.32827%0.267SS..EExtended strand (participates in β ladder)trans-113.9-40.7176.2-63.7-58.7-177.6793.3112.3L146 V148 Q151 S193L146-R153 HydrophobicContact CD2-CB 4.2Å; L146-R153 PolarHBondContact O-N 3.48Å; V148-R153 HydrophobicContact CB-CG 3.91Å; V148-R153 HydrophobicContact CG2-CB 4.4Å; V148-R153 HydrophobicContact CG2-CG 3.63Å; Q151-R153 PolarHBondContact O-N 3.46Å; R153-S193 PolarHBondContact NH1-OG 3.18Å
154Q98.4Very high97.9Very high1 Ų146.5 Ų46.51%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-128.8136.6177.4-57.8-172.7-9400110.5H66 I68 W145 L146 T188 P189 G191H66-Q154 PolarHBondContact CE1-OE1 3.44Å; H66-Q154 PolarHBondContact ND1-OE1 3.19Å; I68-Q154 HydrophobicContact CG2-CB 3.73Å; I68-Q154 HydrophobicContact CG2-CG 4.34Å; I68-Q154 VanDerWaalsContact N-OE1 3.07Å; W145-Q154 CarbonylContact C-O 3.5Å; W145-Q154 VanDerWaalsContact CA-O 3.23Å; W145-Q154 WeakPolarHBondContact CA-O 3.26Å; L146-Q154 HydrophobicContact CB-CB 4.12Å; L146-Q154 PolarHBondContact N-O 2.78Å; L146-Q154 PolarHBondContact O-N 2.87Å; L146-Q154 VanDerWaalsContact O-N 3.15Å; Q154-T188 PolarHBondContact NE2-OG1 2.88Å; Q154-P189 PolarHBondContact NE2-O 2.98Å; Q154-G191 VanDerWaalsContact CG-O 3.31Å; Q154-G191 WeakPolarHBondContact CG-O 3.31Å
155N97.6Very high97.9Very high102 Ų10246.8 Ų46.855%0.54526%0.258SS..EExtended strand (participates in β ladder)trans-148.2114.3172.8-177.1-5000107I144 M152I144-N155 WeakPolarHBondContact O-CA 3.26Å; M152-N155 HydrophobicContact CG-CB 4.47Å; M152-N155 HydrophobicContact SD-CB 4.1Å
156G96.7Very high97.9Very high4 Ų446.9 Ų46.94%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-143.3163.8-173.300000112.1K143 I144K143-G156 WeakPolarHBondContact CA-O 3.33Å; I144-G156 PolarHBondContact N-O 3.15Å; I144-G156 PolarHBondContact O-N 3.14Å
157C97.7Very high97.9Very high18 Ų1849.8 Ų49.812%0.12228%0.276CS..EExtended strand (participates in β ladder)trans-123.8133.7173.9-170.80000109.9Y23 N141 V142 S159 Q160Y23-C157 WeakPolarHBondContact CE1-O 3.33Å; N141-C157 PolarHBondContact OD1-SG 2.87Å; V142-C157 CarbonylContact O-C 3.47Å; V142-C157 VanDerWaalsContact O-CA 3.29Å; V142-C157 WeakPolarHBondContact O-CA 3.47Å; C157-S159 PolarHBondContact O-N 3.48Å; C157-S159 PolarHBondContact SG-OG 2.82Å; C157-Q160 HydrophobicContact CB-CG 4.49Å; C157-Q160 VanDerWaalsContact O-CB 3.29Å; C157-Q160 WeakPolarHBondContact O-CB 3.4Å; C157-Q160 WeakPolarHBondContact O-CG 3.48Å; C157-Q160 PolarHBondContact O-N 3.31Å
158T97.8Very high97.9Very high3 Ų348.4 Ų48.42%0.01827%0.268CS..G310 helixtrans-61.9-14.1178.861.60000113.4L70 P139 G140 N141 V142 Q160 M161L70-T158 HydrophobicContact CB-CG2 4.18Å; L70-T158 HydrophobicContact CD2-CG2 3.93Å; P139-T158 WeakPolarHBondContact O-CB 3.15Å; P139-T158 PolarHBondContact O-OG1 3.15Å; G140-T158 CarbonylContact O-C 3.52Å; N141-T158 PolarHBondContact N-OG1 3.18Å; N141-T158 VanDerWaalsContact N-OG1 3.14Å; V142-T158 HydrophobicContact CB-CG2 3.94Å; V142-T158 PolarHBondContact N-OG1 3.44Å; V142-T158 PolarHBondContact O-N 3.49Å; T158-Q160 PolarHBondContact O-N 2.79Å; T158-Q160 VanDerWaalsContact O-N 3.15Å; T158-M161 HydrophobicContact CG2-CE 3.67Å; T158-M161 VanDerWaalsContact O-CB 3.3Å; T158-M161 WeakPolarHBondContact O-CB 3.23Å; T158-M161 VanDerWaalsContact O-CG 3.24Å; T158-M161 WeakPolarHBondContact O-CG 3.18Å; T158-M161 PolarHBondContact O-N 3.09Å
159S96.8Very high97.9Very high74 Ų7448.5 Ų48.552%0.51727%0.269SS..G310 helixtrans-65.2-12.7170.571.90000113.6G140 C157 M161G140-S159 WeakPolarHBondContact O-CA 3.13Å; G140-S159 VanDerWaalsContact O-CB 3.23Å; G140-S159 WeakPolarHBondContact O-CB 3.46Å; G140-S159 PolarHBondContact O-N 2.98Å; C157-S159 PolarHBondContact O-N 3.48Å; C157-S159 PolarHBondContact SG-OG 2.82Å; S159-M161 VanDerWaalsContact C-N 3.35Å
160Q95.6Very high97.9Very high92 Ų9245 Ų4543%0.4325%0.251SS..G310 helixtrans-91.21176-57.1177.2-53.900112.6Y23 C157 T158Y23-Q160 HydrophobicContact CD1-CB 3.84Å; Y23-Q160 HydrophobicContact CE1-CB 4.16Å; C157-Q160 HydrophobicContact CB-CG 4.49Å; C157-Q160 VanDerWaalsContact O-CB 3.29Å; C157-Q160 WeakPolarHBondContact O-CB 3.4Å; C157-Q160 WeakPolarHBondContact O-CG 3.48Å; C157-Q160 PolarHBondContact O-N 3.31Å; T158-Q160 PolarHBondContact O-N 2.79Å; T158-Q160 VanDerWaalsContact O-N 3.15Å
161M96.9Very high97.9Very high27 Ų2744 Ų4413%0.13323%0.227CC..BIsolated β-bridgetrans-62.8136.6174.9-73.9179.6-174.600111.1N22 Y23 T158 S159 I165 T186N22-M161 CarbonylContact O-C 3.6Å; N22-M161 WeakPolarHBondContact O-CA 3.46Å; Y23-M161 HydrophobicContact CD2-CG 4.42Å; Y23-M161 HydrophobicContact CE1-CG 4.43Å; Y23-M161 HydrophobicContact CE2-CE 4Å; Y23-M161 HydrophobicContact CE2-CG 3.78Å; Y23-M161 VanDerWaalsContact OH-CE 3.32Å; Y23-M161 WeakPolarHBondContact OH-CE 3.24Å; T158-M161 HydrophobicContact CG2-CE 3.67Å; T158-M161 VanDerWaalsContact O-CB 3.3Å; T158-M161 WeakPolarHBondContact O-CB 3.23Å; T158-M161 VanDerWaalsContact O-CG 3.24Å; T158-M161 WeakPolarHBondContact O-CG 3.18Å; T158-M161 PolarHBondContact O-N 3.09Å; S159-M161 VanDerWaalsContact C-N 3.35Å; M161-I165 HydrophobicContact SD-CG1 4.45Å; M161-T186 HydrophobicContact CE-CG2 4.41Å; M161-T186 WeakPolarHBondContact CE-OG1 3.32Å
162I96Very high97.9Very high60 Ų6038.2 Ų38.231%0.30820%0.2SC..SBendtrans-72.3-45.1173.8-65.7156000109.4R21 N22 A24 V34R21-I162 WeakPolarHBondContact O-CD1 3.41Å; N22-I162 PolarHBondContact O-N 3.09Å; N22-I162 PolarHBondContact OD1-N 3.43Å; A24-I162 HydrophobicContact CB-CD1 4.39Å; A24-I162 HydrophobicContact CB-CG1 4.35Å; V34-I162 HydrophobicContact CG1-CD1 3.89Å; V34-I162 HydrophobicContact CG1-CG1 4.49Å; V34-I162 HydrophobicContact CG1-CG2 4.47Å
163F97.8Very high97.9Very high20 Ų2033.4 Ų33.49%0.08818%0.176CC..SBendtrans-109.9118.7178.9-55-67.2000110N22 P35 P38 F167 L168N22-F163 PolarHBondContact ND2-O 3.07Å; N22-F163 WeakPolarHBondContact OD1-CA 3.47Å; N22-F163 VanDerWaalsContact OD1-CB 3.3Å; N22-F163 WeakPolarHBondContact OD1-CB 3.48Å; N22-F163 VanDerWaalsContact OD1-CD2 3.26Å; N22-F163 WeakPolarHBondContact OD1-CD2 3.41Å; N22-F163 PolarHBondContact OD1-N 3.23Å; N22-F163 PolarHBondContact OD1-O 3.04Å; P35-F163 HydrophobicContact CG-CE2 4.13Å; P35-F163 WeakPolarHBondContact O-CZ 2.99Å; P38-F163 HydrophobicContact CB-CD2 4.29Å; P38-F163 HydrophobicContact CB-CE2 4.41Å; P38-F163 HydrophobicContact CG-CD1 4.3Å; P38-F163 HydrophobicContact CG-CD2 3.85Å; P38-F163 HydrophobicContact CG-CE1 4.49Å; P38-F163 HydrophobicContact CG-CE2 4.06Å; P38-F163 HydrophobicContact CG-CG 3.98Å; P38-F163 HydrophobicContact CG-CZ 4.38Å; F163-F167 HydrophobicContact CB-CD1 3.8Å; F163-F167 HydrophobicContact CB-CE1 4.21Å; F163-F167 AromaticContact CD1-CD1 3.84Å; F163-F167 HydrophobicContact CD1-CD1 3.84Å; F163-F167 AromaticContact CD1-CE1 3.47Å; F163-F167 HydrophobicContact CD1-CE1 3.47Å; F163-F167 VanDerWaalsContact CD1-CE1 3.47Å; F163-F167 HydrophobicContact CD1-CZ 4.19Å; F163-F167 HydrophobicContact CE1-CE1 4.11Å; F163-F167 HydrophobicContact CG-CD1 4.14Å; F163-F167 HydrophobicContact CG-CE1 4.03Å; F163-L168 HydrophobicContact CB-CD2 3.67Å; F163-L168 HydrophobicContact CB-CG 4.09Å; F163-L168 HydrophobicContact CG-CD2 4.43Å
164S98.3Very high98Very high53 Ų5335.5 Ų35.537%0.37119%0.19SC..  trans-65153.5178.571.90000112.4F167 L168S164-F167 WeakPolarHBondContact O-CB 3.48Å; S164-F167 PolarHBondContact O-N 2.85Å; S164-F167 WeakPolarHBondContact OG-CB 3.35Å; S164-F167 PolarHBondContact OG-N 2.75Å; S164-L168 WeakPolarHBondContact O-CG 3.42Å; S164-L168 PolarHBondContact O-N 2.77Å
165I98.8Very high98Very high5 Ų540.4 Ų40.43%0.02622%0.215CC..Hα-helixtrans-53.4-46.2176.1-69.9163.7000113L70 V72 M87 P139 M161 F167 L168 I169 T186L70-I165 HydrophobicContact CD2-CD1 4.05Å; V72-I165 HydrophobicContact CG1-CG2 4.3Å; V72-I165 HydrophobicContact CG2-CD1 4.01Å; V72-I165 HydrophobicContact CG2-CG1 4.08Å; V72-I165 HydrophobicContact CG2-CG2 3.83Å; M87-I165 HydrophobicContact SD-CG2 3.97Å; P139-I165 HydrophobicContact CB-CD1 3.65Å; P139-I165 HydrophobicContact CG-CD1 4.05Å; M161-I165 HydrophobicContact SD-CG1 4.45Å; I165-F167 VanDerWaalsContact C-N 3.29Å; I165-F167 PolarHBondContact O-N 2.77Å; I165-L168 PolarHBondContact O-N 3.44Å; I165-I169 HydrophobicContact CG2-CD1 3.8Å; I165-I169 HydrophobicContact CG2-CG1 4.44Å; I165-I169 WeakPolarHBondContact O-CG1 3.22Å; I165-I169 PolarHBondContact O-N 2.67Å; I165-T186 HydrophobicContact CG1-CG2 4.1Å
166P98.8Very high98Very high34 Ų3437.9 Ų37.922%0.22120%0.201CC..Hα-helixtrans-56.7-41.7175.1-25.833.7000113.2Q83 A86 M87 S170Q83-P166 HydrophobicContact CG-CB 3.82Å; A86-P166 HydrophobicContact CB-CB 4.05Å; A86-P166 WeakPolarHBondContact CB-O 3.44Å; M87-P166 HydrophobicContact CG-CG 3.95Å; M87-P166 HydrophobicContact SD-CG 3.87Å; P166-S170 WeakPolarHBondContact O-CB 3.13Å; P166-S170 PolarHBondContact O-N 3.32Å; P166-S170 VanDerWaalsContact O-N 3.11Å
167F98.7Very high98.1Very high61 Ų6141 Ų4127%0.26822%0.219SC..Hα-helixtrans-65.7-45.6177.3174.9-88.2000111.2P38 F163 S164 I165 I169 S170 Y171P38-F167 HydrophobicContact CG-CD1 4.47Å; P38-F167 HydrophobicContact CG-CE1 3.75Å; F163-F167 HydrophobicContact CB-CD1 3.8Å; F163-F167 HydrophobicContact CB-CE1 4.21Å; F163-F167 AromaticContact CD1-CD1 3.84Å; F163-F167 HydrophobicContact CD1-CD1 3.84Å; F163-F167 AromaticContact CD1-CE1 3.47Å; F163-F167 HydrophobicContact CD1-CE1 3.47Å; F163-F167 VanDerWaalsContact CD1-CE1 3.47Å; F163-F167 HydrophobicContact CD1-CZ 4.19Å; F163-F167 HydrophobicContact CE1-CE1 4.11Å; F163-F167 HydrophobicContact CG-CD1 4.14Å; F163-F167 HydrophobicContact CG-CE1 4.03Å; S164-F167 WeakPolarHBondContact O-CB 3.48Å; S164-F167 PolarHBondContact O-N 2.85Å; S164-F167 WeakPolarHBondContact OG-CB 3.35Å; S164-F167 PolarHBondContact OG-N 2.75Å; I165-F167 VanDerWaalsContact C-N 3.29Å; I165-F167 PolarHBondContact O-N 2.77Å; F167-I169 PolarHBondContact O-N 3.35Å; F167-S170 WeakPolarHBondContact O-CB 3.4Å; F167-S170 PolarHBondContact O-N 3.3Å; F167-Y171 HydrophobicContact CE1-CG 4.46Å; F167-Y171 HydrophobicContact CZ-CD2 4.39Å; F167-Y171 WeakPolarHBondContact O-CB 3.38Å; F167-Y171 PolarHBondContact O-N 2.97Å
168L98.8Very high98.2Very high1 Ų140.2 Ų40.21%0.00521%0.214CC..Hα-helixtrans-58.6-45.9178.7-69.1178.2000111.9V19 P38 F163 S164 I165 S170 I172 T186V19-L168 HydrophobicContact CG1-CD2 3.95Å; V19-L168 HydrophobicContact CG2-CD1 4.1Å; V19-L168 HydrophobicContact CG2-CD2 3.91Å; P38-L168 HydrophobicContact CB-CD2 4.02Å; P38-L168 HydrophobicContact CG-CD2 3.79Å; F163-L168 HydrophobicContact CB-CD2 3.67Å; F163-L168 HydrophobicContact CB-CG 4.09Å; F163-L168 HydrophobicContact CG-CD2 4.43Å; S164-L168 WeakPolarHBondContact O-CG 3.42Å; S164-L168 PolarHBondContact O-N 2.77Å; I165-L168 PolarHBondContact O-N 3.44Å; L168-S170 PolarHBondContact O-N 3.11Å; L168-I172 HydrophobicContact CB-CD1 4.42Å; L168-I172 VanDerWaalsContact O-CB 3.22Å; L168-I172 WeakPolarHBondContact O-CB 3.19Å; L168-I172 WeakPolarHBondContact O-CD1 3.42Å; L168-I172 WeakPolarHBondContact O-CG1 2.91Å; L168-I172 PolarHBondContact O-N 3.13Å; L168-T186 HydrophobicContact CD1-CG2 4.11Å
169I98.9Very high98.2Very high1 Ų143.3 Ų43.31%0.00523%0.228CC..Hα-helixtrans-59.8-47.5176.6-68165.3000110.4V72 I81 A86 V90 I165 F167 S173 L178 I184V72-I169 HydrophobicContact CG1-CD1 4.32Å; I81-I169 HydrophobicContact CD1-CG2 4.16Å; A86-I169 HydrophobicContact CB-CB 3.9Å; A86-I169 HydrophobicContact CB-CD1 4.24Å; A86-I169 HydrophobicContact CB-CG2 3.81Å; V90-I169 HydrophobicContact CG2-CD1 3.53Å; I165-I169 HydrophobicContact CG2-CD1 3.8Å; I165-I169 HydrophobicContact CG2-CG1 4.44Å; I165-I169 WeakPolarHBondContact O-CG1 3.22Å; I165-I169 PolarHBondContact O-N 2.67Å; F167-I169 PolarHBondContact O-N 3.35Å; I169-S173 WeakPolarHBondContact O-CB 3.16Å; I169-S173 PolarHBondContact O-N 3.08Å; I169-S173 PolarHBondContact O-OG 2.8Å; I169-S173 VanDerWaalsContact O-OG 3.14Å; I169-L178 HydrophobicContact CG2-CD1 3.94Å; I169-I184 HydrophobicContact CG1-CD1 3.96Å
170S98.8Very high98.3Very high13 Ų1344.1 Ų44.19%0.09122%0.224CC..Hα-helixtrans-57.1-58.3178.2-1690000110.7I81 Q83 P166 F167 L168 I172 S173 E174I81-S170 VanDerWaalsContact O-CA 3.31Å; I81-S170 WeakPolarHBondContact O-CA 3.1Å; I81-S170 WeakPolarHBondContact O-CB 3.38Å; I81-S170 PolarHBondContact O-OG 2.76Å; Q83-S170 PolarHBondContact N-OG 3Å; P166-S170 WeakPolarHBondContact O-CB 3.13Å; P166-S170 PolarHBondContact O-N 3.32Å; P166-S170 VanDerWaalsContact O-N 3.11Å; F167-S170 WeakPolarHBondContact O-CB 3.4Å; F167-S170 PolarHBondContact O-N 3.3Å; L168-S170 PolarHBondContact O-N 3.11Å; S170-I172 PolarHBondContact O-N 3.38Å; S170-S173 PolarHBondContact O-N 3.21Å; S170-S173 PolarHBondContact O-OG 2.75Å; S170-E174 PolarHBondContact O-N 3.48Å
171Y98.8Very high98.4Very high46 Ų4639.7 Ų39.718%0.1820%0.203CC..Hα-helixtrans-57.6-49.2-178.1-179.4-95.6000112.3E37 P38 L40 F167 S173 E174 I175E37-Y171 HydrophobicContact CB-CE2 4.48Å; E37-Y171 HydrophobicContact CG-CE2 4.48Å; E37-Y171 PolarHBondContact OE2-OH 2.81Å; P38-Y171 HydrophobicContact CB-CD1 4.22Å; P38-Y171 HydrophobicContact CB-CE1 4.12Å; P38-Y171 HydrophobicContact CG-CD1 3.83Å; P38-Y171 HydrophobicContact CG-CE1 4.01Å; P38-Y171 HydrophobicContact CG-CG 4.25Å; L40-Y171 HydrophobicContact CD1-CD1 4.2Å; L40-Y171 HydrophobicContact CD1-CE1 3.9Å; L40-Y171 HydrophobicContact CG-CE1 4.28Å; F167-Y171 HydrophobicContact CE1-CG 4.46Å; F167-Y171 HydrophobicContact CZ-CD2 4.39Å; F167-Y171 WeakPolarHBondContact O-CB 3.38Å; F167-Y171 PolarHBondContact O-N 2.97Å; Y171-S173 VanDerWaalsContact C-N 3.31Å; Y171-S173 PolarHBondContact O-N 3.28Å; Y171-E174 PolarHBondContact O-N 2.64Å; Y171-I175 HydrophobicContact CD1-CD1 3.96Å; Y171-I175 HydrophobicContact CE1-CD1 3.47Å; Y171-I175 VanDerWaalsContact CE1-CD1 3.47Å; Y171-I175 HydrophobicContact CE2-CD1 4.39Å
172I98.8Very high98.5Very high0 Ų038.4 Ų38.40%020%0.197CC..Hα-helixtrans-61.7-43.1179.4-69.8165000110.1I17 V19 L40 L168 S170 E174 I175 I176 L178 I184I17-I172 HydrophobicContact CD1-CG2 3.58Å; I17-I172 HydrophobicContact CG2-CD1 3.96Å; I17-I172 HydrophobicContact CG2-CG1 4.33Å; I17-I172 HydrophobicContact CG2-CG2 4.09Å; V19-I172 HydrophobicContact CG2-CD1 4.25Å; L40-I172 HydrophobicContact CD1-CG1 3.87Å; L40-I172 HydrophobicContact CD2-CD1 4.1Å; L40-I172 HydrophobicContact CD2-CG1 3.85Å; L168-I172 HydrophobicContact CB-CD1 4.42Å; L168-I172 VanDerWaalsContact O-CB 3.22Å; L168-I172 WeakPolarHBondContact O-CB 3.19Å; L168-I172 WeakPolarHBondContact O-CD1 3.42Å; L168-I172 WeakPolarHBondContact O-CG1 2.91Å; L168-I172 PolarHBondContact O-N 3.13Å; S170-I172 PolarHBondContact O-N 3.38Å; I172-E174 PolarHBondContact O-N 3.3Å; I172-I175 PolarHBondContact O-N 2.87Å; I172-I176 PolarHBondContact O-N 3.3Å; I172-I176 VanDerWaalsContact O-O 3.14Å; I172-L178 HydrophobicContact CG2-CD2 3.8Å; I172-L178 HydrophobicContact CG2-CG 4.49Å; I172-I184 HydrophobicContact CD1-CD1 4.01Å; I172-I184 HydrophobicContact CD1-CG1 4.33Å; I172-I184 HydrophobicContact CD1-CG2 3.68Å
173S98.8Very high98.6Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-67.8-19.9-176.675.20000114.4T79 A80 I81 I169 S170 Y171 I175 I176T79-S173 WeakPolarHBondContact CA-O 3.48Å; A80-S173 PolarHBondContact N-O 2.96Å; I81-S173 WeakPolarHBondContact CB-OG 3.23Å; I81-S173 PolarHBondContact N-OG 2.93Å; I169-S173 WeakPolarHBondContact O-CB 3.16Å; I169-S173 PolarHBondContact O-N 3.08Å; I169-S173 PolarHBondContact O-OG 2.8Å; I169-S173 VanDerWaalsContact O-OG 3.14Å; S170-S173 PolarHBondContact O-N 3.21Å; S170-S173 PolarHBondContact O-OG 2.75Å; Y171-S173 VanDerWaalsContact C-N 3.31Å; Y171-S173 PolarHBondContact O-N 3.28Å; S173-I175 VanDerWaalsContact C-N 3.3Å; S173-I176 WeakPolarHBondContact CA-O 3.49Å
174E98.6Very high98.7Very high131 Ų13134.7 Ų34.761%0.61218%0.178SC*.Hα-helixtrans-73.2-24.7171.5-70.4179.3-166.600112.3A80 S170 Y171 I172A80-E174 HydrophobicContact CB-CG 4.28Å; S170-E174 PolarHBondContact O-N 3.48Å; Y171-E174 PolarHBondContact O-N 2.64Å; I172-E174 PolarHBondContact O-N 3.3Å
175I98.6Very high98.7Very high103 Ų10332.2 Ų32.253%0.52816%0.161SC..Hα-helixtrans-102.3-43.7-175.8-54.3164.8000110.9L40 Y171 I172 S173L40-I175 HydrophobicContact CD1-CD1 3.98Å; Y171-I175 HydrophobicContact CD1-CD1 3.96Å; Y171-I175 HydrophobicContact CE1-CD1 3.47Å; Y171-I175 VanDerWaalsContact CE1-CD1 3.47Å; Y171-I175 HydrophobicContact CE2-CD1 4.39Å; I172-I175 PolarHBondContact O-N 2.87Å; S173-I175 VanDerWaalsContact C-N 3.3Å
176I98.6Very high98.7Very high49 Ų4932 Ų3225%0.25116%0.16SC..SBendtrans-134.2115.2-174.8-54.9178.1000108.4K15 I17 L42 I172 S173 L178K15-I176 HydrophobicContact CD-CG2 4.04Å; I17-I176 HydrophobicContact CD1-CB 4.5Å; I17-I176 HydrophobicContact CD1-CG2 4.19Å; L42-I176 HydrophobicContact CD2-CD1 4.31Å; I172-I176 PolarHBondContact O-N 3.3Å; I172-I176 VanDerWaalsContact O-O 3.14Å; S173-I176 WeakPolarHBondContact CA-O 3.49Å; I176-L178 PolarHBondContact O-N 3.16Å
177T98.8Very high98.7Very high70 Ų7030.4 Ų30.443%0.42915%0.15SC..  trans-53.7123.3172.9-60.60000111.1K15 T79K15-T177 WeakPolarHBondContact CE-O 3.23Å; K15-T177 PolarHBondContact NZ-O 2.71Å; T79-T177 WeakPolarHBondContact OG1-CB 2.98Å; T79-T177 VanDerWaalsContact OG1-CG2 3.24Å; T79-T177 WeakPolarHBondContact OG1-CG2 3.49Å; T79-T177 PolarHBondContact OG1-OG1 3.46Å
178L98.8Very high98.7Very high2 Ų227.7 Ų27.71%0.0114%0.138CC..BIsolated β-bridgetrans-80.8139.1174.2-62.1177.1000109.7I17 I74 G77 G78 I81 I169 I172 I176 I184I17-L178 HydrophobicContact CD1-CD2 3.68Å; I74-L178 HydrophobicContact CD1-CD1 4Å; I74-L178 HydrophobicContact CG1-CB 4.44Å; I74-L178 HydrophobicContact CG1-CD1 4.28Å; I74-L178 HydrophobicContact CG2-CB 4.27Å; G77-L178 CarbonylContact C-O 3.56Å; G77-L178 WeakPolarHBondContact CA-O 3.4Å; G78-L178 PolarHBondContact N-O 3.39Å; G78-L178 PolarHBondContact O-N 3.42Å; I81-L178 HydrophobicContact CD1-CD1 4.21Å; I169-L178 HydrophobicContact CG2-CD1 3.94Å; I172-L178 HydrophobicContact CG2-CD2 3.8Å; I172-L178 HydrophobicContact CG2-CG 4.49Å; I176-L178 PolarHBondContact O-N 3.16Å; L178-I184 HydrophobicContact CD1-CD1 4.12Å; L178-I184 HydrophobicContact CD2-CD1 4.23Å
179E98.6Very high98.6Very high67 Ų6727.7 Ų27.731%0.31314%0.138SC..  trans-115.9158.7175.7-65.9176.1104.200109.4K14 K15 I74 G181 D182K14-E179 WeakPolarHBondContact CD-OE1 3.23Å; K14-E179 WeakPolarHBondContact CD-OE2 3.23Å; K14-E179 IonicContact NZ-OE1 3.93Å; K14-E179 PolarHBondContact NZ-OE1 3.44Å; K14-E179 IonicContact NZ-OE2 2.64Å; K15-E179 IonicContact NZ-OE2 3.15Å; K15-E179 PolarHBondContact NZ-OE2 2.61Å; I74-E179 WeakPolarHBondContact CB-O 3.38Å; I74-E179 VanDerWaalsContact CG2-O 3.32Å; I74-E179 WeakPolarHBondContact CG2-O 3.29Å; E179-G181 PolarHBondContact O-N 3.11Å; E179-D182 WeakPolarHBondContact CA-OD2 3.46Å; E179-D182 WeakPolarHBondContact CB-OD2 3.48Å; E179-D182 PolarHBondContact N-OD2 2.79Å; E179-D182 WeakPolarHBondContact O-CB 3.46Å; E179-D182 VanDerWaalsContact O-CG 3.32Å; E179-D182 PolarHBondContact O-N 3.42Å
180E98.4Very high98.4Very high91 Ų9132.7 Ų32.743%0.42516%0.16SC..THydrogen-bonded Turntrans-57138.6170.8-162.2-172.5160.100110.1I6 W12 I74 G75 D182I6-E180 HydrophobicContact CD1-CG 4.49Å; W12-E180 HydrophobicContact CH2-CB 4.38Å; W12-E180 HydrophobicContact CH2-CG 3.89Å; W12-E180 HydrophobicContact CZ3-CB 4.37Å; W12-E180 HydrophobicContact CZ3-CG 4.37Å; W12-E180 WeakPolarHBondContact CZ3-O 3.5Å; I74-E180 CarbonylContact O-C 3.56Å; I74-E180 WeakPolarHBondContact O-CA 3.17Å; G75-E180 WeakPolarHBondContact O-CG 3.42Å; E180-D182 VanDerWaalsContact C-N 3.28Å; E180-D182 PolarHBondContact O-N 2.63Å
181G98.4Very high98.3Very high0 Ų033 Ų330%017%0.165CC..THydrogen-bonded Turntrans80.9-3.8-178.600000115.3G13 I74 E179G13-G181 WeakPolarHBondContact CA-O 3.43Å; I74-G181 PolarHBondContact O-N 3.27Å; E179-G181 PolarHBondContact O-N 3.11Å
182D98.8Very high98.2Very high0 Ų031.5 Ų31.50%016%0.161CC..  trans-67.2151.5172.1-68.2-20.1000111.8K15 V73 I74 E179 E180K15-D182 WeakPolarHBondContact CE-OD2 3.41Å; K15-D182 HydrophobicContact CG-CB 4.15Å; K15-D182 WeakPolarHBondContact CG-OD1 3.34Å; K15-D182 WeakPolarHBondContact CG-OD2 3.31Å; K15-D182 PolarHBondContact N-OD1 2.74Å; K15-D182 IonicContact NZ-OD1 2.97Å; K15-D182 IonicContact NZ-OD2 3.24Å; K15-D182 PolarHBondContact NZ-OD2 2.92Å; V73-D182 WeakPolarHBondContact CA-O 3.48Å; I74-D182 HydrophobicContact CB-CB 4.35Å; I74-D182 HydrophobicContact CG1-CB 4.19Å; I74-D182 PolarHBondContact N-O 2.96Å; E179-D182 WeakPolarHBondContact CA-OD2 3.46Å; E179-D182 WeakPolarHBondContact CB-OD2 3.48Å; E179-D182 PolarHBondContact N-OD2 2.79Å; E179-D182 WeakPolarHBondContact O-CB 3.46Å; E179-D182 VanDerWaalsContact O-CG 3.32Å; E179-D182 PolarHBondContact O-N 3.42Å; E180-D182 VanDerWaalsContact C-N 3.28Å; E180-D182 PolarHBondContact O-N 2.63Å
183L98.9Very high98.1Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-116.4133.9179.2-177.667000110.8F9 K15 I16 I17 Y48 V72 V73 L185F9-L183 HydrophobicContact CE2-CB 4.14Å; F9-L183 HydrophobicContact CE2-CD1 4.08Å; F9-L183 HydrophobicContact CE2-CD2 4.05Å; F9-L183 HydrophobicContact CE2-CG 4.33Å; F9-L183 HydrophobicContact CZ-CD1 4.26Å; F9-L183 HydrophobicContact CZ-CD2 4.44Å; K15-L183 PolarHBondContact O-N 2.78Å; K15-L183 VanDerWaalsContact O-N 3.13Å; I16-L183 WeakPolarHBondContact CA-O 3.36Å; I16-L183 HydrophobicContact CG2-CB 4.48Å; I16-L183 HydrophobicContact CG2-CD2 4.23Å; I17-L183 PolarHBondContact N-O 3.23Å; Y48-L183 HydrophobicContact CE1-CD2 3.6Å; Y48-L183 WeakPolarHBondContact OH-CB 3.26Å; V72-L183 WeakPolarHBondContact O-CA 3.39Å; V73-L183 HydrophobicContact CG2-CD1 3.91Å; L183-L185 HydrophobicContact CD1-CD1 4.49Å; L183-L185 HydrophobicContact CD2-CD1 3.41Å; L183-L185 VanDerWaalsContact CD2-CD1 3.41Å; L183-L185 HydrophobicContact CG-CD1 3.68Å
184I98.9Very high98.1Very high2 Ų234.4 Ų34.41%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-110.3115.3169.3-54.8173.9000109.2I17 V19 G71 V72 I74 I169 I172 L178I17-I184 CarbonylContact O-C 3.46Å; I17-I184 VanDerWaalsContact O-CA 3.22Å; I17-I184 WeakPolarHBondContact O-CA 3.34Å; V19-I184 HydrophobicContact CG2-CG2 4.36Å; G71-I184 CarbonylContact C-O 3.58Å; G71-I184 VanDerWaalsContact CA-O 3.3Å; G71-I184 WeakPolarHBondContact CA-O 3.44Å; V72-I184 HydrophobicContact CB-CB 4.32Å; V72-I184 PolarHBondContact N-O 3.39Å; V72-I184 PolarHBondContact O-N 3.19Å; I74-I184 HydrophobicContact CD1-CD1 3.98Å; I169-I184 HydrophobicContact CG1-CD1 3.96Å; I172-I184 HydrophobicContact CD1-CD1 4.01Å; I172-I184 HydrophobicContact CD1-CG1 4.33Å; I172-I184 HydrophobicContact CD1-CG2 3.68Å; L178-I184 HydrophobicContact CD1-CD1 4.12Å; L178-I184 HydrophobicContact CD2-CD1 4.23Å
185L98.9Very high98.1Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-84.2123.8170-104.569.4000109.1I16 I17 C18 V19 E69 C96 D98 L183I16-L185 HydrophobicContact CG2-CD1 3.99Å; I17-L185 PolarHBondContact O-N 3.38Å; C18-L185 HydrophobicContact CB-CB 4Å; V19-L185 WeakPolarHBondContact CB-O 3.5Å; V19-L185 WeakPolarHBondContact CG2-O 3.26Å; V19-L185 PolarHBondContact N-O 2.62Å; E69-L185 HydrophobicContact CB-CG 4.31Å; E69-L185 VanDerWaalsContact OE2-C 3.24Å; E69-L185 WeakPolarHBondContact OE2-CB 3.49Å; C96-L185 HydrophobicContact CB-CD1 3.88Å; C96-L185 HydrophobicContact CB-CD2 4.23Å; C96-L185 HydrophobicContact CB-CG 4.07Å; D98-L185 HydrophobicContact CB-CD2 3.93Å; L183-L185 HydrophobicContact CD1-CD1 4.49Å; L183-L185 HydrophobicContact CD2-CD1 3.41Å; L183-L185 VanDerWaalsContact CD2-CD1 3.41Å; L183-L185 HydrophobicContact CG-CD1 3.68Å
186T98.8Very high98Very high1 Ų128.4 Ų28.41%0.00615%0.153CC..  trans-97.97.3-162.5580000114.8N22 E69 L70 V72 M161 I165 L168N22-T186 WeakPolarHBondContact CB-O 3.3Å; N22-T186 PolarHBondContact ND2-O 3.3Å; E69-T186 PolarHBondContact OE2-N 3.03Å; L70-T186 WeakPolarHBondContact O-CB 3.42Å; L70-T186 WeakPolarHBondContact O-CG2 3.38Å; L70-T186 PolarHBondContact O-N 3.19Å; L70-T186 PolarHBondContact O-OG1 2.76Å; V72-T186 HydrophobicContact CG2-CG2 3.82Å; M161-T186 HydrophobicContact CE-CG2 4.41Å; M161-T186 WeakPolarHBondContact CE-OG1 3.32Å; I165-T186 HydrophobicContact CG1-CG2 4.1Å; L168-T186 HydrophobicContact CD1-CG2 4.11Å
187G97.9Very high98Very high1 Ų128.2 Ų28.21%0.0115%0.154CC..  trans98.4156.8-177.800000113.1V19 Y23 E69V19-G187 VanDerWaalsContact O-CA 3.23Å; V19-G187 WeakPolarHBondContact O-CA 2.93Å; V19-G187 PolarHBondContact O-N 2.91Å; Y23-G187 WeakPolarHBondContact CE2-O 3.44Å; E69-G187 VanDerWaalsContact CD-N 3.28Å; E69-G187 WeakPolarHBondContact CG-O 3.1Å; E69-G187 WeakPolarHBondContact OE1-CA 3.47Å; E69-G187 WeakPolarHBondContact OE2-CA 3.48Å; E69-G187 PolarHBondContact OE2-N 2.94Å
188T98.3Very high98Very high3 Ų332.9 Ų32.92%0.01817%0.171CC..  trans-102.2145.9-178.9179.10000113Y23 H26 E67 I68 E69 Q154 V192Y23-T188 WeakPolarHBondContact CB-O 3.4Å; Y23-T188 VanDerWaalsContact CD2-C 3.49Å; Y23-T188 VanDerWaalsContact CD2-O 3.3Å; Y23-T188 WeakPolarHBondContact CD2-O 3.44Å; H26-T188 WeakPolarHBondContact CB-O 3.42Å; E67-T188 HydrophobicContact CB-CG2 3.8Å; E67-T188 HydrophobicContact CG-CG2 3.95Å; I68-T188 WeakPolarHBondContact O-CA 3.5Å; I68-T188 PolarHBondContact O-OG1 2.99Å; E69-T188 PolarHBondContact OE1-N 3.05Å; E69-T188 VanDerWaalsContact OE1-N 3.13Å; Q154-T188 PolarHBondContact NE2-OG1 2.88Å; T188-V192 HydrophobicContact CG2-CG1 3.9Å
189P96.6Very high98Very high2 Ų233.8 Ų33.81%0.01318%0.176CC..  trans-73.2176.4165.434-35.5000111.2Y23 I68 I144 Q154Y23-P189 HydrophobicContact CD1-CB 3.91Å; Y23-P189 HydrophobicContact CE1-CB 4.07Å; Y23-P189 HydrophobicContact CG-CB 4.37Å; I68-P189 HydrophobicContact CG2-CG 4.08Å; I68-P189 WeakPolarHBondContact O-CD 3.48Å; I144-P189 HydrophobicContact CD1-CG 4.28Å; Q154-P189 PolarHBondContact NE2-O 2.98Å
190K95.3Very high98Very high105 Ų10534.6 Ų34.646%0.45718%0.18SC..SBendtrans-61.5166.5178.269.2177.9170.9-151.80113.3D25 E29D25-K190 HydrophobicContact CB-CB 4.31Å; D25-K190 HydrophobicContact CB-CD 4.11Å; D25-K190 HydrophobicContact CB-CG 4.46Å; D25-K190 IonicContact OD2-NZ 3.04Å; D25-K190 PolarHBondContact OD2-NZ 3.43Å; E29-K190 VanDerWaalsContact OE2-CA 3.29Å; E29-K190 WeakPolarHBondContact OE2-CA 3.39Å
191G96.4Very high98Very high20 Ų2030.3 Ų30.321%0.20616%0.16CC..  trans93.522.4175.700000113.5E29 H66 Q154E29-G191 WeakPolarHBondContact OE1-CA 3.37Å; E29-G191 PolarHBondContact OE1-N 2.94Å; E29-G191 PolarHBondContact OE2-N 3.11Å; H66-G191 PolarHBondContact CE1-O 3.23Å; H66-G191 VanDerWaalsContact CE1-O 3.28Å; Q154-G191 VanDerWaalsContact CG-O 3.31Å; Q154-G191 WeakPolarHBondContact CG-O 3.31Å
192V97.1Very high98Very high14 Ų1433.3 Ų33.39%0.08517%0.174CC..  trans-66134.2175.1-57.80000109.3H66 E67 T188H66-V192 WeakPolarHBondContact O-CB 3.4Å; E67-V192 HydrophobicContact CB-CG1 4.48Å; E67-V192 HydrophobicContact CG-CB 4.4Å; E67-V192 HydrophobicContact CG-CG1 3.81Å; T188-V192 HydrophobicContact CG2-CG1 3.9Å
193S97Very high98Very high28 Ų2833.4 Ų33.420%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-150.9158.5-179.471.30000112H65 H66 R153H65-S193 VanDerWaalsContact CA-O 3.23Å; H65-S193 WeakPolarHBondContact CA-O 3.14Å; H66-S193 PolarHBondContact CD2-O 3.25Å; H66-S193 PolarHBondContact N-O 3.43Å; H66-S193 VanDerWaalsContact N-O 3.15Å; H66-S193 PolarHBondContact NE2-N 3.46Å; H66-S193 PolarHBondContact NE2-O 3.45Å; H66-S193 PolarHBondContact NE2-OG 3.31Å; R153-S193 PolarHBondContact NH1-OG 3.18Å
194A97.9Very high98Very high34 Ų3433.4 Ų33.428%0.28117%0.174SC..EExtended strand (participates in β ladder)trans-66.3142.8179.300000111.6V64V64-A194 CarbonylContact O-C 3.5Å; V64-A194 VanDerWaalsContact O-CA 3.23Å; V64-A194 WeakPolarHBondContact O-CA 3.45Å
195V98.3Very high98Very high2 Ų233.8 Ų33.81%0.01218%0.176CC..  trans-104.5153.7171.3-57.60000110.5V64 H66 M99 D199 L201 V215V64-V195 HydrophobicContact CB-CG2 4.39Å; V64-V195 HydrophobicContact CG1-CG2 4.33Å; V64-V195 WeakPolarHBondContact O-CG2 3.43Å; V64-V195 PolarHBondContact O-N 2.72Å; H66-V195 HydrophobicContact CB-CG1 4.24Å; M99-V195 HydrophobicContact CE-CG2 4.12Å; V195-D199 WeakPolarHBondContact CA-OD2 3.41Å; V195-L201 HydrophobicContact CB-CD1 4.5Å; V195-L201 HydrophobicContact CG1-CD1 3.99Å; V195-L201 HydrophobicContact CG1-CD2 4.19Å; V195-L201 HydrophobicContact CG1-CG 4.4Å; V195-V215 HydrophobicContact CB-CG2 4.15Å; V195-V215 HydrophobicContact CG2-CG1 4.07Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å
196Q98.2Very high97.8Very high105 Ų10538.5 Ų38.549%0.49120%0.201SC..  trans-115.1159.1178.6-59.7-56.9-44.700111H198 D199 V215Q196-H198 PolarHBondContact O-N 2.88Å; Q196-D199 PolarHBondContact N-OD2 3.37Å; Q196-D199 VanDerWaalsContact O-CB 3.26Å; Q196-D199 WeakPolarHBondContact O-CB 3.24Å; Q196-D199 PolarHBondContact O-N 3.15Å; Q196-V215 VanDerWaalsContact O-CB 3.26Å; Q196-V215 WeakPolarHBondContact O-CB 3.33Å; Q196-V215 VanDerWaalsContact O-CG1 3.29Å; Q196-V215 WeakPolarHBondContact O-CG1 2.96Å
197V97.9Very high97.6Very high46 Ų4646.2 Ų46.228%0.27924%0.242SC..THydrogen-bonded Turntrans-57.5137.1172.1-1760000108.9I57 D199 R217I57-V197 HydrophobicContact CD1-CG2 4.19Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 3Å; V197-R217 HydrophobicContact CG2-CB 3.93Å
198H97.9Very high97.7Very high167 Ų16747.6 Ų47.677%0.77325%0.25SS*.THydrogen-bonded Turntrans75.4-1.2-173.5-47.8-62000116.4Q196 V215Q196-H198 PolarHBondContact O-N 2.88Å; H198-V215 PolarHBondContact N-O 3.39Å
199D98.7Very high97.7Very high22 Ų2248.5 Ų48.512%0.11826%0.256CS..  trans-61.3147.3168.5-77.3-11.4000110.8V148 N149 V195 Q196 V197 L201 K214 V215V148-D199 HydrophobicContact CG1-CB 4.1Å; N149-D199 PolarHBondContact ND2-OD1 3.46Å; N149-D199 WeakPolarHBondContact OD1-CA 3.5Å; V195-D199 WeakPolarHBondContact CA-OD2 3.41Å; Q196-D199 PolarHBondContact N-OD2 3.37Å; Q196-D199 VanDerWaalsContact O-CB 3.26Å; Q196-D199 WeakPolarHBondContact O-CB 3.24Å; Q196-D199 PolarHBondContact O-N 3.15Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 3Å; D199-L201 HydrophobicContact CB-CD1 4.33Å; D199-K214 CarbonylContact O-C 3.59Å; D199-K214 WeakPolarHBondContact O-CA 3.3Å; D199-V215 HydrophobicContact CB-CB 4.35Å; D199-V215 HydrophobicContact CB-CG2 4Å; D199-V215 PolarHBondContact O-N 2.92Å
200E98.8Very high97.8Very high84 Ų8451.6 Ų51.639%0.39328%0.278SS..EExtended strand (participates in β ladder)trans-111.9121170.1-173.3173.593.300109.4V148 N149 T212V148-E200 WeakPolarHBondContact CA-O 3.45Å; N149-E200 PolarHBondContact N-O 3.26Å; N149-E200 PolarHBondContact OD1-N 3Å; E200-T212 HydrophobicContact CG-CG2 3.58Å
201L98.8Very high97.9Very high1 Ų146.7 Ų46.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-98.3121.2174.2-72.770.3000107.6I55 H66 L97 M99 L146 N147 V148 V195 D199 T212 F213 V215I55-L201 HydrophobicContact CD1-CD2 4.01Å; H66-L201 HydrophobicContact CB-CD2 3.84Å; L97-L201 HydrophobicContact CD1-CB 4.49Å; L97-L201 HydrophobicContact CD1-CD2 3.63Å; M99-L201 HydrophobicContact SD-CD2 4.43Å; L146-L201 HydrophobicContact CD1-CD2 4.49Å; N147-L201 WeakPolarHBondContact O-CA 3.16Å; V148-L201 HydrophobicContact CG2-CG 4.37Å; V195-L201 HydrophobicContact CB-CD1 4.5Å; V195-L201 HydrophobicContact CG1-CD1 3.99Å; V195-L201 HydrophobicContact CG1-CD2 4.19Å; V195-L201 HydrophobicContact CG1-CG 4.4Å; D199-L201 HydrophobicContact CB-CD1 4.33Å; L201-T212 CarbonylContact O-C 3.38Å; L201-T212 VanDerWaalsContact O-CA 3.29Å; L201-T212 WeakPolarHBondContact O-CA 3.5Å; L201-F213 PolarHBondContact N-O 3.29Å; L201-F213 PolarHBondContact O-N 3.38Å; L201-V215 HydrophobicContact CD1-CG2 3.36Å
202H98.9Very high98Very high63 Ų6347.5 Ų47.529%0.29226%0.257SS..EExtended strand (participates in β ladder)trans-117.6124.2172.3-172.957.9000108.1W145 N147 M211 T212W145-H202 AromaticContact CH2-CD2 3.33Å; W145-H202 WeakPolarHBondContact CH2-CD2 3.48Å; W145-H202 AromaticContact CH2-NE2 3.45Å; W145-H202 WeakPolarHBondContact CH2-NE2 3.42Å; W145-H202 AromaticContact CZ3-CD2 3.53Å; W145-H202 VanDerWaalsContact CZ3-O 3.25Å; W145-H202 WeakPolarHBondContact CZ3-O 3.32Å; N147-H202 PolarHBondContact N-O 3.08Å; N147-H202 PolarHBondContact O-N 3.26Å; H202-M211 PolarHBondContact ND1-O 2.9Å; H202-T212 PolarHBondContact ND1-OG1 3.36Å
203A98.8Very high98.1Very high1 Ų147 Ų471%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-136.9152.9-17400000110.8I68 L95 L97 W145 L146 S210 M211I68-A203 HydrophobicContact CD1-CB 3.86Å; L95-A203 HydrophobicContact CD2-CB 4.06Å; L97-A203 HydrophobicContact CD2-CB 4.49Å; W145-A203 CarbonylContact O-C 3.49Å; W145-A203 VanDerWaalsContact O-CA 3.22Å; W145-A203 WeakPolarHBondContact O-CA 3.22Å; W145-A203 WeakPolarHBondContact O-CB 3.4Å; L146-A203 HydrophobicContact CB-CB 4.36Å; L146-A203 HydrophobicContact CD1-CB 4.39Å; L146-A203 HydrophobicContact CG-CB 4.27Å; A203-S210 CarbonylContact O-C 3.52Å; A203-S210 WeakPolarHBondContact O-CA 3.42Å; A203-M211 HydrophobicContact CB-CE 3.9Å; A203-M211 HydrophobicContact CB-CG 4.25Å; A203-M211 PolarHBondContact N-O 2.78Å; A203-M211 PolarHBondContact O-N 3.13Å
204G98.7Very high98.2Very high0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-166.8173.9-178.800000116.2W145 V209W145-G204 PolarHBondContact N-O 3.25Å; W145-G204 PolarHBondContact O-N 3.23Å; G204-V209 CarbonylContact C-O 3.59Å; G204-V209 WeakPolarHBondContact CA-O 3.47Å
205I98.6Very high98.2Very high10 Ų1050.6 Ų50.65%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-122.4118.6162-62.2162.5000104.9L70 L95 I131 I136 V142 I144 D207 V208 V209L70-I205 HydrophobicContact CD1-CD1 4.2Å; L95-I205 HydrophobicContact CD1-CD1 4.26Å; L95-I205 HydrophobicContact CD1-CG1 4.2Å; I131-I205 HydrophobicContact CD1-CD1 4.11Å; I136-I205 HydrophobicContact CD1-CD1 4.17Å; V142-I205 HydrophobicContact CG1-CD1 3.86Å; V142-I205 HydrophobicContact CG1-CG1 3.94Å; V142-I205 HydrophobicContact CG1-CG2 3.71Å; I144-I205 HydrophobicContact CG2-CD1 4.24Å; I144-I205 HydrophobicContact CG2-CG1 3.71Å; I205-D207 PolarHBondContact O-N 3.37Å; I205-V208 HydrophobicContact CB-CB 3.99Å; I205-V208 HydrophobicContact CG2-CB 3.72Å; I205-V208 HydrophobicContact CG2-CG1 4.47Å; I205-V208 HydrophobicContact CG2-CG2 3.77Å; I205-V208 PolarHBondContact O-N 2.9Å; I205-V209 HydrophobicContact CB-CG1 4.34Å; I205-V209 HydrophobicContact CD1-CG1 4.22Å; I205-V209 HydrophobicContact CG1-CG1 4.45Å; I205-V209 PolarHBondContact N-O 2.72Å; I205-V209 PolarHBondContact O-N 3.34Å; I205-V209 VanDerWaalsContact O-N 3.08Å; I205-V209 VanDerWaalsContact O-O 3.05Å
206D95.7Very high98.2Very high100 Ų10051.3 Ų51.354%0.53527%0.268SS..THydrogen-bonded Turntrans-52135.7-175.4-63.2-26.2000111.6W145 V208W145-D206 PolarHBondContact NE1-OD1 2.96Å; D206-V208 PolarHBondContact O-N 3.37Å
207D94.8Very high97.9Very high162 Ų16252.4 Ų52.487%0.86627%0.267SS*.THydrogen-bonded Turntrans58.43.2-178.2-54.1-48.3000116.1R135 I205R135-D207 PolarHBondContact NH2-O 2.76Å; I205-D207 PolarHBondContact O-N 3.37Å
208V98.2Very high97.4Very high30 Ų3055.7 Ų55.718%0.18228%0.283CS..THydrogen-bonded Turntrans-110.5-61.4-178.7-178.50000111.7I131 R135 I136 I205 D206I131-V208 HydrophobicContact CD1-CG1 4.03Å; I131-V208 HydrophobicContact CG1-CG1 4.33Å; I131-V208 HydrophobicContact CG2-CG1 3.58Å; R135-V208 PolarHBondContact NH1-O 2.94Å; R135-V208 PolarHBondContact NH2-O 3.14Å; I136-V208 HydrophobicContact CD1-CG1 4.31Å; I136-V208 HydrophobicContact CG1-CG1 4.26Å; I205-V208 HydrophobicContact CB-CB 3.99Å; I205-V208 HydrophobicContact CG2-CB 3.72Å; I205-V208 HydrophobicContact CG2-CG1 4.47Å; I205-V208 HydrophobicContact CG2-CG2 3.77Å; I205-V208 PolarHBondContact O-N 2.9Å; D206-V208 PolarHBondContact O-N 3.37Å
209V98.5Very high97.4Very high23 Ų2350.1 Ų50.114%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-156.1151.2-175.873.40000110.8L95 I131 G204 I205L95-V209 HydrophobicContact CB-CG1 4.12Å; I131-V209 HydrophobicContact CD1-CB 4.14Å; I131-V209 HydrophobicContact CD1-CG1 3.6Å; I131-V209 HydrophobicContact CG1-CB 4.28Å; I131-V209 HydrophobicContact CG1-CG1 4.27Å; G204-V209 CarbonylContact C-O 3.59Å; G204-V209 WeakPolarHBondContact CA-O 3.47Å; I205-V209 HydrophobicContact CB-CG1 4.34Å; I205-V209 HydrophobicContact CD1-CG1 4.22Å; I205-V209 HydrophobicContact CG1-CG1 4.45Å; I205-V209 PolarHBondContact N-O 2.72Å; I205-V209 PolarHBondContact O-N 3.34Å; I205-V209 VanDerWaalsContact O-N 3.08Å; I205-V209 VanDerWaalsContact O-O 3.05Å
210S98.6Very high97.4Very high66 Ų6651.6 Ų51.646%0.46227%0.265SS..EExtended strand (participates in β ladder)trans-139.6158.6163.666.60000109.7A203A203-S210 CarbonylContact O-C 3.52Å; A203-S210 WeakPolarHBondContact O-CA 3.42Å
211M98.6Very high97.3Very high2 Ų249.8 Ų49.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-147.5147.917963.8-174-174.400110.4L95 L97 H202 A203 F213L95-M211 HydrophobicContact CB-CE 4.24Å; L95-M211 HydrophobicContact CB-SD 4.31Å; L95-M211 HydrophobicContact CD2-CE 3.98Å; L95-M211 HydrophobicContact CD2-SD 4.49Å; L95-M211 HydrophobicContact CG-CE 3.81Å; L95-M211 HydrophobicContact CG-SD 4.47Å; L97-M211 HydrophobicContact CD1-CE 4.42Å; L97-M211 HydrophobicContact CD2-CE 3.75Å; L97-M211 HydrophobicContact CG-CE 3.7Å; H202-M211 PolarHBondContact ND1-O 2.9Å; A203-M211 HydrophobicContact CB-CE 3.9Å; A203-M211 HydrophobicContact CB-CG 4.25Å; A203-M211 PolarHBondContact N-O 2.78Å; A203-M211 PolarHBondContact O-N 3.13Å; M211-F213 HydrophobicContact CB-CE2 3.88Å; M211-F213 HydrophobicContact CG-CD2 4.31Å; M211-F213 HydrophobicContact CG-CE2 3.81Å; M211-F213 HydrophobicContact SD-CE2 3.71Å
212T98.8Very high97.2Very high37 Ų3752.6 Ų52.623%0.22727%0.273CS..EExtended strand (participates in β ladder)trans-129.1130.7-179.2-48.20000111.4E51 E200 L201 H202E51-T212 WeakPolarHBondContact CG-O 3.5Å; E51-T212 WeakPolarHBondContact OE1-CA 3.37Å; E51-T212 VanDerWaalsContact OE1-CB 3.31Å; E51-T212 WeakPolarHBondContact OE1-CB 3.33Å; E51-T212 PolarHBondContact OE1-N 3.2Å; E200-T212 HydrophobicContact CG-CG2 3.58Å; L201-T212 CarbonylContact O-C 3.38Å; L201-T212 VanDerWaalsContact O-CA 3.29Å; L201-T212 WeakPolarHBondContact O-CA 3.5Å; H202-T212 PolarHBondContact ND1-OG1 3.36Å
213F98.8Very high97.1Very high3 Ų352 Ų521%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-132133.9178-67.6-87.9000110.9L49 E51 I55 P126 L201 M211L49-F213 HydrophobicContact CD2-CD1 3.6Å; L49-F213 HydrophobicContact CD2-CE1 3.75Å; L49-F213 HydrophobicContact CG-CD1 4.2Å; L49-F213 HydrophobicContact CG-CE1 3.84Å; L49-F213 WeakPolarHBondContact O-CE1 3.49Å; L49-F213 WeakPolarHBondContact O-CZ 3.48Å; E51-F213 HydrophobicContact CB-CZ 4.49Å; I55-F213 HydrophobicContact CD1-CB 3.54Å; I55-F213 HydrophobicContact CD1-CG 4.18Å; I55-F213 HydrophobicContact CG1-CB 3.92Å; I55-F213 HydrophobicContact CG1-CD1 4.41Å; I55-F213 HydrophobicContact CG1-CG 4.35Å; P126-F213 HydrophobicContact CB-CD1 4.17Å; P126-F213 HydrophobicContact CB-CD2 3.93Å; P126-F213 HydrophobicContact CB-CE1 3.96Å; P126-F213 HydrophobicContact CB-CE2 3.71Å; P126-F213 HydrophobicContact CB-CG 4.15Å; P126-F213 HydrophobicContact CB-CZ 3.72Å; L201-F213 PolarHBondContact N-O 3.29Å; L201-F213 PolarHBondContact O-N 3.38Å; M211-F213 HydrophobicContact CB-CE2 3.88Å; M211-F213 HydrophobicContact CG-CD2 4.31Å; M211-F213 HydrophobicContact CG-CE2 3.81Å; M211-F213 HydrophobicContact SD-CE2 3.71Å
214K98.6Very high97Very high135 Ų13555.4 Ų55.459%0.58729%0.29SS*.EExtended strand (participates in β ladder)trans-89.9148.3169.2-66.9-173.7178-177.80110.3P54 I55 D199P54-K214 CarbonylContact C-O 3.56Å; P54-K214 VanDerWaalsContact CA-O 3.22Å; P54-K214 WeakPolarHBondContact CA-O 3.42Å; P54-K214 WeakPolarHBondContact CB-O 3.42Å; I55-K214 PolarHBondContact N-O 3.35Å; D199-K214 CarbonylContact O-C 3.59Å; D199-K214 WeakPolarHBondContact O-CA 3.3Å
215V98.7Very high96.8Very high4 Ų459.4 Ų59.42%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-97.8125.6176.6-1750000110.2I55 I57 V195 Q196 H198 D199 L201I55-V215 CarbonylContact O-C 3.51Å; I55-V215 WeakPolarHBondContact O-CA 3.49Å; I57-V215 HydrophobicContact CD1-CG1 3.68Å; I57-V215 HydrophobicContact CG1-CG1 3.78Å; V195-V215 HydrophobicContact CB-CG2 4.15Å; V195-V215 HydrophobicContact CG2-CG1 4.07Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å; Q196-V215 VanDerWaalsContact O-CB 3.26Å; Q196-V215 WeakPolarHBondContact O-CB 3.33Å; Q196-V215 VanDerWaalsContact O-CG1 3.29Å; Q196-V215 WeakPolarHBondContact O-CG1 2.96Å; H198-V215 PolarHBondContact N-O 3.39Å; D199-V215 HydrophobicContact CB-CB 4.35Å; D199-V215 HydrophobicContact CB-CG2 4Å; D199-V215 PolarHBondContact O-N 2.92Å; L201-V215 HydrophobicContact CD1-CG2 3.36Å
216G97.3Very high96.7Very high16 Ų1663.2 Ų63.217%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-115.9-172.1170.400000111.7I55 I57I55-G216 PolarHBondContact O-N 3.34Å; I57-G216 PolarHBondContact N-O 2.84Å
217R93.2Very high96.8Very high129 Ų12960.1 Ų60.149%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-128.2140.6174.5-177.4165.6-75.9-139.6-5.8109.3V197V197-R217 HydrophobicContact CG2-CB 3.93Å
218L87.3Confident97Very high114 Ų11450.8 Ų50.860%0.59726%0.263SS*.  trans-74.40173.8-165.876000111.8L56 I57 K59L56-L218 HydrophobicContact CB-CB 4.41Å; L56-L218 HydrophobicContact CD1-CD1 3.74Å; I57-L218 PolarHBondContact O-N 3Å; I57-L218 VanDerWaalsContact O-N 3.11Å; K59-L218 WeakPolarHBondContact CE-O 3.48Å; K59-L218 WeakPolarHBondContact CE-OXT 3.08Å; K59-L218 HydrophobicContact CG-CB 4.49Å; K59-L218 WeakPolarHBondContact CG-O 3.5Å; K59-L218 PolarHBondContact NZ-OXT 3.44Å

Retrieved 218 of 218 residues in 130.9 ms (Link to these results)

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