A0A060WFT5_ONCMY Loading...

GIY-YIG domain-containing protein

Catalytic subunit of the SLX1-SLX4 structure-specific endonuclease that resolves DNA secondary structures generated during DNA repair and recombination. Has endonuclease activity towards branched DNA substrates, introducing single-strand cuts in duplex DNA close to junctions with ss-DNA.

AlphaFold DB , UniProt , Accession A0A060WFT5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene slx1b, Length 263 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
1M57.7Low83Confident183 Ų18348.7 Ų48.790%0.90126%0.257SS*.  0135.70-166.9179.3-77.500108.8N249M1-N249 PolarHBondContact SD-OD1 2.9Å; M1-N249 VanDerWaalsContact SD-OD1 3.35Å
2V75.4Confident84.3Confident70 Ų7044.7 Ų44.742%0.42424%0.236SC..PPolyproline II helixtrans-102.3124.1178.2-177.10000108.1S152 R154V2-S152 WeakPolarHBondContact CA-O 3.23Å; V2-R154 HydrophobicContact CG1-CB 4.03Å
3L80.4Confident85.4Confident32 Ų3241.2 Ų41.217%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-84124.2172179.969.4000109.3V5 R126 S152 I153 R154L3-V5 HydrophobicContact CD2-CG2 3.58Å; L3-V5 HydrophobicContact CG-CG2 3.73Å; L3-R126 VanDerWaalsContact CD2-NH2 3.32Å; L3-S152 PolarHBondContact N-O 2.81Å; L3-I153 CarbonylContact O-C 3.58Å; L3-I153 VanDerWaalsContact O-CA 3.31Å; L3-I153 WeakPolarHBondContact O-CA 3.45Å; L3-R154 PolarHBondContact O-N 3.38Å
4E78.9Confident86.3Confident56 Ų5638.3 Ų38.326%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-90.5135.4168.4-58.2-163.9136.700109R154 R156E4-R154 WeakPolarHBondContact CA-O 3.43Å; E4-R156 HydrophobicContact CB-CG 4.15Å; E4-R156 IonicContact OE1-NE 2.66Å; E4-R156 IonicContact OE2-CZ 2.86Å; E4-R156 IonicContact OE2-NE 2.8Å; E4-R156 PolarHBondContact OE2-NE 2.86Å; E4-R156 IonicContact OE2-NH2 2.67Å; E4-R156 PolarHBondContact OE2-NH2 2.84Å
5V77.4Confident87.2Confident27 Ų2738.2 Ų38.216%0.16420%0.198CC..EExtended strand (participates in β ladder)trans-135124.4179.9-1770000109.5L3 L8 I153 R154 A155 R156L3-V5 HydrophobicContact CD2-CG2 3.58Å; L3-V5 HydrophobicContact CG-CG2 3.73Å; V5-L8 HydrophobicContact CB-CB 4.44Å; V5-L8 HydrophobicContact CB-CD1 4.23Å; V5-L8 HydrophobicContact CG1-CB 4.2Å; V5-L8 HydrophobicContact CG1-CD1 3.95Å; V5-I153 HydrophobicContact CB-CD1 4.46Å; V5-I153 HydrophobicContact CG2-CD1 3.78Å; V5-I153 HydrophobicContact CG2-CG1 3.99Å; V5-R154 PolarHBondContact N-O 2.86Å; V5-A155 WeakPolarHBondContact O-CA 3.23Å; V5-R156 PolarHBondContact O-N 2.86Å
6E79.8Confident87.8Confident48 Ų4835.8 Ų35.822%0.22419%0.186CC..EExtended strand (participates in β ladder)trans-78.9144.9171-63.3-172.4163.300111.4L8 R156 Q158 C242E6-L8 PolarHBondContact O-N 2.91Å; E6-R156 HydrophobicContact CG-CB 4.05Å; E6-Q158 HydrophobicContact CB-CG 4.28Å; E6-C242 HydrophobicContact CB-CB 4.45Å; E6-C242 PolarHBondContact OE2-SG 3.4Å; E6-C242 VanDerWaalsContact OE2-SG 3.32Å
7S80.9Confident88.4Confident60 Ų6036.4 Ų36.442%0.4219%0.191SC..THydrogen-bonded Turntrans5045.3177.4-66.30000113.5F9 Q158S7-F9 PolarHBondContact O-N 2.86Å; S7-Q158 PolarHBondContact OG-NE2 3.32Å
8L90.8Very high88.8Confident7 Ų736.3 Ų36.34%0.03719%0.191CC..  trans-64.7123.6-177.4178.667.5000111.4V5 E6 V31 P33 H65 I153 A155V5-L8 HydrophobicContact CB-CB 4.44Å; V5-L8 HydrophobicContact CB-CD1 4.23Å; V5-L8 HydrophobicContact CG1-CB 4.2Å; V5-L8 HydrophobicContact CG1-CD1 3.95Å; E6-L8 PolarHBondContact O-N 2.91Å; L8-V31 WeakPolarHBondContact O-CA 3.17Å; L8-V31 WeakPolarHBondContact O-CB 3.25Å; L8-V31 WeakPolarHBondContact O-CG1 3.21Å; L8-P33 VanDerWaalsContact CD2-CD 3.42Å; L8-P33 HydrophobicContact CD2-CG 3.58Å; L8-H65 HydrophobicContact CD1-CB 3.52Å; L8-I153 HydrophobicContact CD1-CD1 3.73Å; L8-I153 HydrophobicContact CD2-CD1 4.04Å; L8-I153 HydrophobicContact CD2-CG1 4.33Å; L8-A155 HydrophobicContact CB-CB 4.24Å; L8-A155 HydrophobicContact CD2-CB 4.12Å
9F95.3Very high89.2Confident53 Ų5340.7 Ų40.723%0.23222%0.222CC..  trans-113.6116159.8-60.7-62.3000108S7 F29 V31 H65 F67 D70 A73S7-F9 PolarHBondContact O-N 2.86Å; F9-F29 HydrophobicContact CB-CE2 4.17Å; F9-F29 HydrophobicContact CD1-CE2 4.04Å; F9-F29 AromaticContact CD1-CZ 3.91Å; F9-F29 HydrophobicContact CD1-CZ 3.91Å; F9-V31 HydrophobicContact CD1-CG1 3.81Å; F9-V31 HydrophobicContact CE1-CG1 3.98Å; F9-H65 WeakPolarHBondContact O-CA 3.36Å; F9-F67 HydrophobicContact CB-CB 3.95Å; F9-F67 WeakPolarHBondContact CD2-O 3.28Å; F9-F67 WeakPolarHBondContact O-CD2 3.49Å; F9-D70 HydrophobicContact CD1-CB 4.14Å; F9-D70 HydrophobicContact CE1-CB 4.02Å; F9-A73 HydrophobicContact CB-CB 4.35Å
10G97.4Very high89.6Confident0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-132.6138.2-174.700000113.2F29 T30 I64G10-F29 CarbonylContact O-C 3.45Å; G10-F29 WeakPolarHBondContact O-CA 3.33Å; G10-F29 WeakPolarHBondContact O-CD2 3.49Å; G10-T30 PolarHBondContact N-O 2.91Å; G10-T30 PolarHBondContact O-N 2.96Å; G10-I64 CarbonylContact C-O 3.57Å; G10-I64 VanDerWaalsContact CA-O 3.27Å; G10-I64 WeakPolarHBondContact CA-O 3.46Å
11V98.8Very high89.9Confident0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-107.2123.1168.1-174.50000108.1I27 G28 I63 I64 F67 A73 F76 E77 W80V11-I27 HydrophobicContact CG1-CG2 3.88Å; V11-G28 CarbonylContact C-O 3.56Å; V11-G28 VanDerWaalsContact CA-O 3.32Å; V11-G28 WeakPolarHBondContact CA-O 3.43Å; V11-I63 WeakPolarHBondContact O-CA 3.31Å; V11-I64 PolarHBondContact N-O 2.85Å; V11-I64 PolarHBondContact O-N 2.82Å; V11-F67 HydrophobicContact CB-CE2 4.22Å; V11-F67 HydrophobicContact CG2-CD2 4.42Å; V11-F67 HydrophobicContact CG2-CE2 3.72Å; V11-F67 HydrophobicContact CG2-CZ 4.05Å; V11-A73 HydrophobicContact CG2-CB 3.99Å; V11-A73 VanDerWaalsContact CG2-O 3.23Å; V11-A73 WeakPolarHBondContact CG2-O 3.5Å; V11-F76 HydrophobicContact CB-CD1 4.15Å; V11-F76 HydrophobicContact CG1-CD1 4.16Å; V11-F76 HydrophobicContact CG2-CB 4.38Å; V11-F76 HydrophobicContact CG2-CD1 4.14Å; V11-E77 HydrophobicContact CG1-CB 3.86Å; V11-E77 HydrophobicContact CG1-CG 4.18Å; V11-E77 HydrophobicContact CG2-CB 4.16Å; V11-W80 HydrophobicContact CG1-CE3 3.69Å; V11-W80 HydrophobicContact CG1-CZ3 3.96Å
12Y98.7Very high91.7Very high0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-118.2158.1-171.862.8-91.8000112.7L14 Y26 I27 G28 F29 T30 R36 H40 M60 L62Y12-L14 HydrophobicContact CD2-CD2 3.52Å; Y12-L14 HydrophobicContact CD2-CG 3.77Å; Y12-L14 HydrophobicContact CE2-CD1 3.97Å; Y12-L14 HydrophobicContact CE2-CD2 3.64Å; Y12-L14 HydrophobicContact CE2-CG 3.6Å; Y12-Y26 HydrophobicContact CE2-CD1 4.13Å; Y12-Y26 HydrophobicContact CE2-CE1 4.2Å; Y12-I27 VanDerWaalsContact O-CA 3.31Å; Y12-I27 WeakPolarHBondContact O-CA 3.46Å; Y12-G28 WeakPolarHBondContact CD1-O 3.26Å; Y12-G28 VanDerWaalsContact CE1-O 3.26Å; Y12-G28 WeakPolarHBondContact CE1-O 3.39Å; Y12-G28 PolarHBondContact N-O 2.7Å; Y12-G28 PolarHBondContact O-N 3.15Å; Y12-F29 WeakPolarHBondContact CE1-O 3.44Å; Y12-T30 HydrophobicContact CD1-CG2 3.65Å; Y12-T30 HydrophobicContact CE1-CG2 3.91Å; Y12-R36 HydrophobicContact CE1-CG 3.82Å; Y12-R36 VanDerWaalsContact OH-CG 3.25Å; Y12-R36 WeakPolarHBondContact OH-CG 3.35Å; Y12-R36 PolarHBondContact OH-NE 2.9Å; Y12-H40 AromaticContact CE2-NE2 3.79Å; Y12-H40 AromaticContact CZ-NE2 3.62Å; Y12-H40 PolarHBondContact OH-NE2 3.36Å; Y12-M60 HydrophobicContact CD1-CE 3.99Å; Y12-M60 HydrophobicContact CD2-CE 3.79Å; Y12-M60 HydrophobicContact CD2-CG 4.21Å; Y12-M60 HydrophobicContact CD2-SD 4.4Å; Y12-M60 HydrophobicContact CE1-CE 4.42Å; Y12-M60 HydrophobicContact CE2-CE 4.23Å; Y12-M60 HydrophobicContact CG-CE 3.65Å; Y12-M60 HydrophobicContact CG-CG 4.23Å; Y12-M60 HydrophobicContact CG-SD 3.97Å; Y12-L62 CarbonylContact C-O 3.55Å; Y12-L62 VanDerWaalsContact CA-O 3.24Å; Y12-L62 WeakPolarHBondContact CA-O 3.33Å; Y12-L62 WeakPolarHBondContact CB-O 3.24Å
13M98.8Very high92.7Very high0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-114.2125.7170.4-177.116861.300109.5I25 I27 V61 L62 W80 L102 H105 W127M13-I25 HydrophobicContact CG-CD1 4.24Å; M13-I25 HydrophobicContact CG-CG2 3.65Å; M13-I25 HydrophobicContact SD-CD1 4.22Å; M13-I25 HydrophobicContact SD-CG2 3.99Å; M13-I27 HydrophobicContact CB-CD1 3.66Å; M13-I27 HydrophobicContact CG-CD1 3.59Å; M13-I27 HydrophobicContact SD-CD1 4.16Å; M13-V61 HydrophobicContact CB-CG2 4.38Å; M13-V61 HydrophobicContact CE-CG2 3.82Å; M13-V61 HydrophobicContact CG-CG2 4.21Å; M13-V61 WeakPolarHBondContact O-CG2 3.31Å; M13-V61 PolarHBondContact O-N 3.12Å; M13-L62 HydrophobicContact CB-CB 4.12Å; M13-L62 HydrophobicContact CE-CB 3.89Å; M13-L62 HydrophobicContact CE-CD2 3.81Å; M13-L62 PolarHBondContact N-O 2.86Å; M13-W80 HydrophobicContact CB-CH2 3.85Å; M13-W80 HydrophobicContact CB-CZ2 4.14Å; M13-W80 HydrophobicContact SD-CZ2 4.06Å; M13-L102 HydrophobicContact CE-CD1 3.34Å; M13-L102 HydrophobicContact SD-CD1 3.96Å; M13-H105 HydrophobicContact SD-CB 3.71Å; M13-W127 HydrophobicContact CE-CH2 4.07Å; M13-W127 HydrophobicContact CE-CZ3 4.09Å
14L98.6Very high93.5Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-96.4144.5169.1-51.5-177.6000110.8Y12 I25 Y26 I37 H40 T52 W58 E59 M60Y12-L14 HydrophobicContact CD2-CD2 3.52Å; Y12-L14 HydrophobicContact CD2-CG 3.77Å; Y12-L14 HydrophobicContact CE2-CD1 3.97Å; Y12-L14 HydrophobicContact CE2-CD2 3.64Å; Y12-L14 HydrophobicContact CE2-CG 3.6Å; L14-I25 VanDerWaalsContact O-CA 3.29Å; L14-I25 WeakPolarHBondContact O-CA 3.43Å; L14-I25 WeakPolarHBondContact O-CD1 3.2Å; L14-Y26 HydrophobicContact CD1-CD1 3.81Å; L14-Y26 HydrophobicContact CD1-CG 4.31Å; L14-Y26 HydrophobicContact CG-CD1 4.15Å; L14-Y26 PolarHBondContact N-O 3.31Å; L14-Y26 PolarHBondContact O-N 3.22Å; L14-Y26 VanDerWaalsContact O-N 3.15Å; L14-I37 HydrophobicContact CD2-CD1 3.69Å; L14-H40 HydrophobicContact CD1-CB 4.15Å; L14-T52 HydrophobicContact CD1-CG2 4.41Å; L14-W58 HydrophobicContact CB-CE3 3.73Å; L14-W58 HydrophobicContact CB-CZ3 4.39Å; L14-W58 HydrophobicContact CD1-CB 4.21Å; L14-W58 HydrophobicContact CD1-CD2 4.4Å; L14-W58 HydrophobicContact CD1-CE3 4.29Å; L14-W58 HydrophobicContact CD1-CG 4.38Å; L14-E59 CarbonylContact C-O 3.59Å; L14-E59 WeakPolarHBondContact CA-O 3.29Å; L14-M60 HydrophobicContact CD2-CB 3.68Å; L14-M60 HydrophobicContact CD2-CE 4.32Å; L14-M60 HydrophobicContact CD2-CG 3.94Å
15Y98.5Very high94.4Very high37 Ų3744.3 Ų44.315%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-116.1132.2168.8-172.8-82.7000109.3T17 K22 G23 I25 W58 E59 L102 Y132Y15-T17 HydrophobicContact CD1-CG2 3.99Å; Y15-T17 HydrophobicContact CE1-CG2 4.3Å; Y15-K22 HydrophobicContact CE1-CG 4.49Å; Y15-G23 VanDerWaalsContact CZ-CA 3.44Å; Y15-G23 WeakPolarHBondContact OH-CA 3.49Å; Y15-I25 HydrophobicContact CD2-CD1 3.81Å; Y15-I25 HydrophobicContact CG-CD1 4.49Å; Y15-W58 WeakPolarHBondContact O-CA 3.26Å; Y15-E59 PolarHBondContact N-O 2.84Å; Y15-E59 PolarHBondContact O-N 3.39Å; Y15-L102 HydrophobicContact CD2-CB 4.42Å; Y15-L102 HydrophobicContact CD2-CD1 4.42Å; Y15-L102 HydrophobicContact CD2-CD2 4.35Å; Y15-L102 HydrophobicContact CE2-CB 4.34Å; Y15-L102 HydrophobicContact CE2-CD2 4.3Å; Y15-Y132 AromaticContact CD1-CE1 3.51Å; Y15-Y132 HydrophobicContact CD1-CE1 3.51Å; Y15-Y132 AromaticContact CD1-CZ 3.87Å; Y15-Y132 WeakPolarHBondContact CD1-OH 3.44Å; Y15-Y132 HydrophobicContact CD2-CD1 4.12Å; Y15-Y132 AromaticContact CD2-CE1 3.78Å; Y15-Y132 HydrophobicContact CD2-CE1 3.78Å; Y15-Y132 AromaticContact CE1-CE1 3.79Å; Y15-Y132 HydrophobicContact CE1-CE1 3.79Å; Y15-Y132 HydrophobicContact CE2-CD1 4.41Å; Y15-Y132 HydrophobicContact CE2-CE1 4Å; Y15-Y132 HydrophobicContact CG-CD1 4.2Å; Y15-Y132 AromaticContact CG-CE1 3.51Å; Y15-Y132 HydrophobicContact CG-CE1 3.51Å
16C98.1Very high95.4Very high0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-87.3123.7175.6-174.50000110.8F21 K22 G23 R24 R55 W58C16-F21 WeakPolarHBondContact CB-O 3.48Å; C16-K22 WeakPolarHBondContact O-CA 3.36Å; C16-G23 PolarHBondContact O-N 3.06Å; C16-R24 HydrophobicContact CB-CB 3.93Å; C16-R24 PolarHBondContact N-O 3.13Å; C16-R55 PolarHBondContact SG-O 2.96Å; C16-W58 HydrophobicContact CB-CD2 4.21Å; C16-W58 HydrophobicContact CB-CE3 3.74Å; C16-W58 HydrophobicContact CB-CH2 3.93Å; C16-W58 HydrophobicContact CB-CZ2 4.34Å; C16-W58 HydrophobicContact CB-CZ3 3.61Å
17T97Very high96.3Very high45 Ų4542.5 Ų42.528%0.27621%0.213SC..  trans-98.7-8178.754.20000113.2Y15 P57 E59 Y132Y15-T17 HydrophobicContact CD1-CG2 3.99Å; Y15-T17 HydrophobicContact CE1-CG2 4.3Å; T17-P57 PolarHBondContact N-O 3.12Å; T17-P57 VanDerWaalsContact N-O 3.1Å; T17-P57 PolarHBondContact OG1-O 3.27Å; T17-E59 HydrophobicContact CG2-CG 4.03Å; T17-E59 WeakPolarHBondContact CG2-OE2 3.35Å; T17-Y132 WeakPolarHBondContact CG2-OH 3.19Å
18N96.4Very high97.2Very high36 Ų3639.7 Ų39.719%0.19319%0.193CC..  trans-56.4124.8174.3-176.2-42.6000110.8K20 F21 K22 R55 G56N18-K20 PolarHBondContact O-N 2.84Å; N18-K20 VanDerWaalsContact O-N 3.08Å; N18-K20 WeakPolarHBondContact OD1-CB 3.43Å; N18-K20 PolarHBondContact OD1-N 3.41Å; N18-F21 HydrophobicContact CB-CB 4.44Å; N18-F21 HydrophobicContact CB-CD2 4.47Å; N18-F21 CarbonylContact O-C 3.3Å; N18-F21 VanDerWaalsContact O-C 3.3Å; N18-F21 PolarHBondContact O-N 3.28Å; N18-K22 VanDerWaalsContact O-CA 3.28Å; N18-K22 WeakPolarHBondContact O-CA 3.33Å; N18-K22 WeakPolarHBondContact O-CB 3.22Å; N18-K22 PolarHBondContact O-N 3.03Å; N18-R55 WeakPolarHBondContact CB-O 3.16Å; N18-G56 WeakPolarHBondContact CB-O 3.46Å; N18-G56 PolarHBondContact ND2-O 2.96Å
19P96.4Very high97.5Very high119 Ų11941.4 Ų41.477%0.77320%0.2SC*.G310 helixtrans-51.6-37-178.4-29.335.6000114.6F21P19-F21 VanDerWaalsContact C-N 3.31Å; P19-F21 PolarHBondContact O-N 3.19Å
20K96.6Very high97.6Very high168 Ų16839.2 Ų39.273%0.7319%0.191SC*.G310 helixtrans-70.7-25.8179.1-174173-178.7171.70113.3N18N18-K20 PolarHBondContact O-N 2.84Å; N18-K20 VanDerWaalsContact O-N 3.08Å; N18-K20 WeakPolarHBondContact OD1-CB 3.43Å; N18-K20 PolarHBondContact OD1-N 3.41Å
21F95.4Very high97.5Very high40 Ų4042 Ų4218%0.17521%0.208CC..G310 helixtrans-127.118.8-173.2-59.1-60.4000112.6C16 N18 P19 G23 R24 R55C16-F21 WeakPolarHBondContact CB-O 3.48Å; N18-F21 HydrophobicContact CB-CB 4.44Å; N18-F21 HydrophobicContact CB-CD2 4.47Å; N18-F21 CarbonylContact O-C 3.3Å; N18-F21 VanDerWaalsContact O-C 3.3Å; N18-F21 PolarHBondContact O-N 3.28Å; P19-F21 VanDerWaalsContact C-N 3.31Å; P19-F21 PolarHBondContact O-N 3.19Å; F21-G23 PolarHBondContact O-N 2.92Å; F21-R24 WeakPolarHBondContact O-CB 3.33Å; F21-R24 VanDerWaalsContact O-CG 3.25Å; F21-R24 WeakPolarHBondContact O-CG 3.36Å; F21-R24 PolarHBondContact O-N 2.87Å; F21-R55 HydrophobicContact CD2-CB 3.83Å; F21-R55 HydrophobicContact CD2-CG 3.97Å; F21-R55 HydrophobicContact CE2-CB 4.17Å; F21-R55 HydrophobicContact CE2-CG 3.87Å; F21-R55 HydrophobicContact CG-CB 4.27Å; F21-R55 HydrophobicContact CG-CG 4.34Å; F21-R55 HydrophobicContact CZ-CG 4.16Å
22K96.1Very high97.4Very high147 Ų14744 Ų4464%0.63922%0.219SC*.THydrogen-bonded Turntrans-57.6136.9-170.3-171.2174.8-179.5179.10110.7Y15 C16 N18 R24Y15-K22 HydrophobicContact CE1-CG 4.49Å; C16-K22 WeakPolarHBondContact O-CA 3.36Å; N18-K22 VanDerWaalsContact O-CA 3.28Å; N18-K22 WeakPolarHBondContact O-CA 3.33Å; N18-K22 WeakPolarHBondContact O-CB 3.22Å; N18-K22 PolarHBondContact O-N 3.03Å; K22-R24 VanDerWaalsContact C-N 3.27Å; K22-R24 PolarHBondContact O-N 3.11Å
23G96.2Very high97.3Very high20 Ų2044.2 Ų44.221%0.20622%0.22CC..THydrogen-bonded Turntrans79.92.4178.800000115.3Y15 C16 F21 S101Y15-G23 VanDerWaalsContact CZ-CA 3.44Å; Y15-G23 WeakPolarHBondContact OH-CA 3.49Å; C16-G23 PolarHBondContact O-N 3.06Å; F21-G23 PolarHBondContact O-N 2.92Å; G23-S101 WeakPolarHBondContact O-CB 3.26Å
24R97.3Very high97.1Very high111 Ų11148.4 Ų48.442%0.41924%0.24SC..  trans-67.2137169.3-74-172-175.7-149.1-3110.6C16 F21 K22 W58C16-R24 HydrophobicContact CB-CB 3.93Å; C16-R24 PolarHBondContact N-O 3.13Å; F21-R24 WeakPolarHBondContact O-CB 3.33Å; F21-R24 VanDerWaalsContact O-CG 3.25Å; F21-R24 WeakPolarHBondContact O-CG 3.36Å; F21-R24 PolarHBondContact O-N 2.87Å; K22-R24 VanDerWaalsContact C-N 3.27Å; K22-R24 PolarHBondContact O-N 3.11Å; R24-W58 HydrophobicContact CB-CH2 4.08Å; R24-W58 HydrophobicContact CB-CZ3 4.35Å; R24-W58 WeakPolarHBondContact O-CZ3 3.29Å
25I98.3Very high96.9Very high12 Ų1255.1 Ų55.16%0.06227%0.265CS..EExtended strand (participates in β ladder)trans-106143.4177.2-60.4-59.7000110.7M13 L14 Y15 I27 S101 L102 H105M13-I25 HydrophobicContact CG-CD1 4.24Å; M13-I25 HydrophobicContact CG-CG2 3.65Å; M13-I25 HydrophobicContact SD-CD1 4.22Å; M13-I25 HydrophobicContact SD-CG2 3.99Å; L14-I25 VanDerWaalsContact O-CA 3.29Å; L14-I25 WeakPolarHBondContact O-CA 3.43Å; L14-I25 WeakPolarHBondContact O-CD1 3.2Å; Y15-I25 HydrophobicContact CD2-CD1 3.81Å; Y15-I25 HydrophobicContact CG-CD1 4.49Å; I25-I27 HydrophobicContact CG2-CD1 3.76Å; I25-I27 HydrophobicContact CG2-CG1 4.31Å; I25-S101 WeakPolarHBondContact CG1-OG 3.31Å; I25-L102 HydrophobicContact CD1-CB 4.27Å; I25-L102 HydrophobicContact CD1-CD1 4.12Å; I25-H105 HydrophobicContact CG2-CB 4.38Å
26Y98.4Very high96.9Very high31 Ų3155.7 Ų55.712%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-132.1128.2166.1177.2-84.3000109.1Y12 L14 H40 A49 R51 T52Y12-Y26 HydrophobicContact CE2-CD1 4.13Å; Y12-Y26 HydrophobicContact CE2-CE1 4.2Å; L14-Y26 HydrophobicContact CD1-CD1 3.81Å; L14-Y26 HydrophobicContact CD1-CG 4.31Å; L14-Y26 HydrophobicContact CG-CD1 4.15Å; L14-Y26 PolarHBondContact N-O 3.31Å; L14-Y26 PolarHBondContact O-N 3.22Å; L14-Y26 VanDerWaalsContact O-N 3.15Å; Y26-H40 AromaticContact CD1-CE1 3.82Å; Y26-H40 AromaticContact CE1-CE1 3.4Å; Y26-H40 VanDerWaalsContact CE1-CE1 3.4Å; Y26-H40 WeakPolarHBondContact CE1-CE1 3.49Å; Y26-H40 AromaticContact CE1-NE2 3.71Å; Y26-H40 AromaticContact CZ-CE1 3.8Å; Y26-A49 HydrophobicContact CE2-CB 3.7Å; Y26-A49 VanDerWaalsContact OH-CB 3.3Å; Y26-A49 WeakPolarHBondContact OH-CB 3.49Å; Y26-R51 HydrophobicContact CD2-CB 4.18Å; Y26-R51 HydrophobicContact CD2-CG 4.39Å; Y26-R51 HydrophobicContact CE2-CB 4.15Å; Y26-T52 HydrophobicContact CD1-CG2 4.13Å; Y26-T52 HydrophobicContact CD2-CG2 3.47Å; Y26-T52 VanDerWaalsContact CD2-CG2 3.47Å; Y26-T52 HydrophobicContact CE2-CG2 3.99Å; Y26-T52 HydrophobicContact CG-CG2 3.56Å
27I98.8Very high96.8Very high7 Ų757.5 Ų57.54%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-101.9136174.1-54.2-54.7000108.4V11 Y12 M13 I25 E77 W80 Q81V11-I27 HydrophobicContact CG1-CG2 3.88Å; Y12-I27 VanDerWaalsContact O-CA 3.31Å; Y12-I27 WeakPolarHBondContact O-CA 3.46Å; M13-I27 HydrophobicContact CB-CD1 3.66Å; M13-I27 HydrophobicContact CG-CD1 3.59Å; M13-I27 HydrophobicContact SD-CD1 4.16Å; I25-I27 HydrophobicContact CG2-CD1 3.76Å; I25-I27 HydrophobicContact CG2-CG1 4.31Å; I27-E77 HydrophobicContact CG2-CG 4.19Å; I27-W80 HydrophobicContact CD1-CD2 3.87Å; I27-W80 HydrophobicContact CD1-CE3 4.19Å; I27-W80 HydrophobicContact CD1-CG 4.44Å; I27-W80 HydrophobicContact CD1-CH2 4.12Å; I27-W80 HydrophobicContact CD1-CZ2 3.8Å; I27-W80 HydrophobicContact CD1-CZ3 4.28Å; I27-W80 HydrophobicContact CG1-CD2 4.08Å; I27-W80 HydrophobicContact CG1-CG 4.19Å; I27-W80 HydrophobicContact CG2-CB 4.18Å; I27-W80 HydrophobicContact CG2-CD2 3.8Å; I27-W80 HydrophobicContact CG2-CE3 3.54Å; I27-W80 HydrophobicContact CG2-CG 4.08Å; I27-W80 HydrophobicContact CG2-CZ3 4.2Å; I27-Q81 HydrophobicContact CB-CG 3.85Å; I27-Q81 HydrophobicContact CG2-CG 4.21Å; I27-Q81 PolarHBondContact O-NE2 3.37Å
28G98.4Very high96.8Very high0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-149.8163.6179.800000113.9V11 Y12 E77V11-G28 CarbonylContact C-O 3.56Å; V11-G28 VanDerWaalsContact CA-O 3.32Å; V11-G28 WeakPolarHBondContact CA-O 3.43Å; Y12-G28 WeakPolarHBondContact CD1-O 3.26Å; Y12-G28 VanDerWaalsContact CE1-O 3.26Å; Y12-G28 WeakPolarHBondContact CE1-O 3.39Å; Y12-G28 PolarHBondContact N-O 2.7Å; Y12-G28 PolarHBondContact O-N 3.15Å; G28-E77 VanDerWaalsContact CA-OE1 3.31Å; G28-E77 WeakPolarHBondContact CA-OE1 3.18Å
29F98.4Very high96.9Very high43 Ų4357.7 Ų57.719%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-99.2144.6169.2165-101.3000112.4F9 G10 Y12 V31 D70 A73 L74 E77F9-F29 HydrophobicContact CB-CE2 4.17Å; F9-F29 HydrophobicContact CD1-CE2 4.04Å; F9-F29 AromaticContact CD1-CZ 3.91Å; F9-F29 HydrophobicContact CD1-CZ 3.91Å; G10-F29 CarbonylContact O-C 3.45Å; G10-F29 WeakPolarHBondContact O-CA 3.33Å; G10-F29 WeakPolarHBondContact O-CD2 3.49Å; Y12-F29 WeakPolarHBondContact CE1-O 3.44Å; F29-V31 HydrophobicContact CE1-CG1 4.27Å; F29-V31 HydrophobicContact CZ-CG1 3.73Å; F29-D70 HydrophobicContact CZ-CB 3.93Å; F29-A73 HydrophobicContact CD2-CB 3.6Å; F29-A73 HydrophobicContact CE2-CB 3.66Å; F29-L74 HydrophobicContact CB-CD2 3.94Å; F29-L74 HydrophobicContact CD1-CD2 3.94Å; F29-L74 HydrophobicContact CD1-CG 4.49Å; F29-L74 HydrophobicContact CG-CD2 3.96Å; F29-L74 HydrophobicContact CG-CG 4.45Å; F29-E77 PolarHBondContact N-OE1 3.31Å
30T97.4Very high96.9Very high7 Ų752.1 Ų52.14%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-151.6152.8172.8-166.80000113.2G10 Y12 N32 P33 R36 I63G10-T30 PolarHBondContact N-O 2.91Å; G10-T30 PolarHBondContact O-N 2.96Å; Y12-T30 HydrophobicContact CD1-CG2 3.65Å; Y12-T30 HydrophobicContact CE1-CG2 3.91Å; T30-N32 PolarHBondContact OG1-N 3.26Å; T30-N32 PolarHBondContact OG1-O 3.06Å; T30-P33 HydrophobicContact CG2-CB 4.38Å; T30-P33 HydrophobicContact CG2-CG 3.85Å; T30-R36 WeakPolarHBondContact OG1-CB 3.44Å; T30-I63 HydrophobicContact CG2-CD1 4.43Å
31V95.9Very high96.9Very high59 Ų5947.6 Ų47.636%0.35823%0.231SC..SBendtrans-102.5-6.9163.7-58.50000113.2L8 F9 F29 A155L8-V31 WeakPolarHBondContact O-CA 3.17Å; L8-V31 WeakPolarHBondContact O-CB 3.25Å; L8-V31 WeakPolarHBondContact O-CG1 3.21Å; F9-V31 HydrophobicContact CD1-CG1 3.81Å; F9-V31 HydrophobicContact CE1-CG1 3.98Å; F29-V31 HydrophobicContact CE1-CG1 4.27Å; F29-V31 HydrophobicContact CZ-CG1 3.73Å; V31-A155 WeakPolarHBondContact O-CB 3.5Å
32N95.6Very high96.9Very high42 Ų4248.8 Ų48.823%0.22525%0.248CC..  trans-147.495.7178.9-173.1-41.8000109.9T30 E34 R35 R36 A155T30-N32 PolarHBondContact OG1-N 3.26Å; T30-N32 PolarHBondContact OG1-O 3.06Å; N32-E34 PolarHBondContact OD1-N 2.83Å; N32-R35 HydrophobicContact CB-CB 4.11Å; N32-R35 WeakPolarHBondContact OD1-CB 3.4Å; N32-R35 PolarHBondContact OD1-N 2.97Å; N32-R36 VanDerWaalsContact O-CB 3.25Å; N32-R36 WeakPolarHBondContact O-CB 3.34Å; N32-R36 PolarHBondContact O-N 3.29Å; N32-A155 HydrophobicContact CB-CB 4.36Å
33P95.9Very high96.8Very high5 Ų542.1 Ų42.13%0.03222%0.221CC..Hα-helixtrans-59.6-46.3-177.3-30.839.1000114.1L8 T30 R35 R36 I37 M60 I63 I153L8-P33 VanDerWaalsContact CD2-CD 3.42Å; L8-P33 HydrophobicContact CD2-CG 3.58Å; T30-P33 HydrophobicContact CG2-CB 4.38Å; T30-P33 HydrophobicContact CG2-CG 3.85Å; P33-R35 PolarHBondContact O-N 3.23Å; P33-R36 PolarHBondContact O-N 2.95Å; P33-R36 VanDerWaalsContact O-N 3.14Å; P33-I37 WeakPolarHBondContact O-CG2 3.39Å; P33-I37 PolarHBondContact O-N 3.44Å; P33-M60 HydrophobicContact CB-CE 4.07Å; P33-M60 HydrophobicContact CB-SD 3.87Å; P33-I63 HydrophobicContact CB-CD1 4.4Å; P33-I63 HydrophobicContact CG-CD1 3.62Å; P33-I153 HydrophobicContact CB-CG2 4.19Å; P33-I153 HydrophobicContact CG-CG2 3.9Å
34E94.7Very high96.8Very high88 Ų8847.7 Ų47.741%0.41124%0.236SC..Hα-helixtrans-59.5-48-179.4-67.5178.9156.700111.3N32 R36 I37 G38 R154N32-E34 PolarHBondContact OD1-N 2.83Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.31Å; E34-I37 VanDerWaalsContact O-CG2 3.29Å; E34-I37 WeakPolarHBondContact O-CG2 3.36Å; E34-G38 PolarHBondContact O-N 3.43Å; E34-R154 IonicContact OE1-CZ 3.03Å; E34-R154 IonicContact OE1-NE 3.83Å; E34-R154 PolarHBondContact OE1-NE 3.13Å; E34-R154 IonicContact OE1-NH2 3.43Å; E34-R154 PolarHBondContact OE1-NH2 3.33Å; E34-R154 VanDerWaalsContact OE1-NH2 3.12Å; E34-R154 IonicContact OE2-NE 3.23Å; E34-R154 PolarHBondContact OE2-NE 3.37Å
35R95.6Very high96.5Very high140 Ų14049.9 Ų49.953%0.52825%0.25SS..Hα-helixtrans-62.1-44175-173.7-177.672.3-162.91.1111.1N32 P33 G38 Q39N32-R35 HydrophobicContact CB-CB 4.11Å; N32-R35 WeakPolarHBondContact OD1-CB 3.4Å; N32-R35 PolarHBondContact OD1-N 2.97Å; P33-R35 PolarHBondContact O-N 3.23Å; R35-G38 PolarHBondContact O-N 3.37Å; R35-Q39 WeakPolarHBondContact O-CG 3.43Å; R35-Q39 PolarHBondContact O-N 3.42Å
36R97.3Very high96.2Very high50 Ų5058.4 Ų58.419%0.18928%0.282CS..Hα-helixtrans-69-39.9-171.7-17257.9169.3165.9-1.6112.8Y12 T30 N32 P33 E34 G38 Q39 H40 G47Y12-R36 HydrophobicContact CE1-CG 3.82Å; Y12-R36 VanDerWaalsContact OH-CG 3.25Å; Y12-R36 WeakPolarHBondContact OH-CG 3.35Å; Y12-R36 PolarHBondContact OH-NE 2.9Å; T30-R36 WeakPolarHBondContact OG1-CB 3.44Å; N32-R36 VanDerWaalsContact O-CB 3.25Å; N32-R36 WeakPolarHBondContact O-CB 3.34Å; N32-R36 PolarHBondContact O-N 3.29Å; P33-R36 PolarHBondContact O-N 2.95Å; P33-R36 VanDerWaalsContact O-N 3.14Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.31Å; R36-G38 VanDerWaalsContact C-N 3.32Å; R36-Q39 VanDerWaalsContact CD-OE1 3.32Å; R36-Q39 PolarHBondContact O-N 3.49Å; R36-H40 PolarHBondContact O-CD2 3.07Å; R36-H40 PolarHBondContact O-N 3.05Å; R36-H40 VanDerWaalsContact O-N 3.12Å; R36-G47 PolarHBondContact NH1-O 3.41Å
37I97.4Very high96Very high37 Ų3758.9 Ų58.919%0.1930%0.296CS..Hα-helixtrans-64.8-38.7175.5-169.557.3000111.3L14 P33 E34 Q39 H40 N41 W58 M60L14-I37 HydrophobicContact CD2-CD1 3.69Å; P33-I37 WeakPolarHBondContact O-CG2 3.39Å; P33-I37 PolarHBondContact O-N 3.44Å; E34-I37 VanDerWaalsContact O-CG2 3.29Å; E34-I37 WeakPolarHBondContact O-CG2 3.36Å; I37-Q39 PolarHBondContact O-N 3.34Å; I37-H40 PolarHBondContact O-N 3.07Å; I37-N41 PolarHBondContact O-N 2.89Å; I37-N41 VanDerWaalsContact O-N 3.13Å; I37-W58 HydrophobicContact CD1-CB 4.14Å; I37-W58 WeakPolarHBondContact CD1-O 3.31Å; I37-M60 HydrophobicContact CB-CE 4.37Å; I37-M60 HydrophobicContact CD1-CB 4.25Å
38G96.9Very high95.7Very high39 Ų3959 Ų5940%0.40230%0.299SS..Hα-helixtrans-58.5-46172.700000112.6E34 R35 R36 H40 N41 A42E34-G38 PolarHBondContact O-N 3.43Å; R35-G38 PolarHBondContact O-N 3.37Å; R36-G38 VanDerWaalsContact C-N 3.32Å; G38-H40 VanDerWaalsContact C-N 3.34Å; G38-H40 PolarHBondContact O-N 3.43Å; G38-N41 PolarHBondContact O-N 3.25Å; G38-A42 VanDerWaalsContact O-CB 3.3Å; G38-A42 WeakPolarHBondContact O-CB 3.48Å; G38-A42 PolarHBondContact O-N 3.45Å
39Q97.1Very high95.5Very high47 Ų4759.7 Ų59.722%0.2231%0.305CS..Hα-helixtrans-59.4-41.8176-69.9178.1-25.200112.6R35 R36 I37 A42 G43 R46 G48R35-Q39 WeakPolarHBondContact O-CG 3.43Å; R35-Q39 PolarHBondContact O-N 3.42Å; R36-Q39 VanDerWaalsContact CD-OE1 3.32Å; R36-Q39 PolarHBondContact O-N 3.49Å; I37-Q39 PolarHBondContact O-N 3.34Å; Q39-A42 PolarHBondContact O-N 3.32Å; Q39-G43 PolarHBondContact O-N 2.87Å; Q39-G43 VanDerWaalsContact O-N 3.11Å; Q39-R46 WeakPolarHBondContact CG-O 3.41Å; Q39-G48 VanDerWaalsContact O-CA 3.23Å; Q39-G48 WeakPolarHBondContact O-CA 3.41Å; Q39-G48 PolarHBondContact O-N 3.48Å
40H97.4Very high95.3Very high2 Ų266.1 Ų66.11%0.00933%0.332CS..Hα-helixtrans-63.2-41.9178.4-80.4-67.8000112.7Y12 L14 Y26 R36 I37 G38 T52Y12-H40 AromaticContact CE2-NE2 3.79Å; Y12-H40 AromaticContact CZ-NE2 3.62Å; Y12-H40 PolarHBondContact OH-NE2 3.36Å; L14-H40 HydrophobicContact CD1-CB 4.15Å; Y26-H40 AromaticContact CD1-CE1 3.82Å; Y26-H40 AromaticContact CE1-CE1 3.4Å; Y26-H40 VanDerWaalsContact CE1-CE1 3.4Å; Y26-H40 WeakPolarHBondContact CE1-CE1 3.49Å; Y26-H40 AromaticContact CE1-NE2 3.71Å; Y26-H40 AromaticContact CZ-CE1 3.8Å; R36-H40 PolarHBondContact O-CD2 3.07Å; R36-H40 PolarHBondContact O-N 3.05Å; R36-H40 VanDerWaalsContact O-N 3.12Å; I37-H40 PolarHBondContact O-N 3.07Å; G38-H40 VanDerWaalsContact C-N 3.34Å; G38-H40 PolarHBondContact O-N 3.43Å; H40-T52 VanDerWaalsContact ND1-CG2 3.35Å; H40-T52 WeakPolarHBondContact ND1-CG2 3.4Å; H40-T52 PolarHBondContact ND1-OG1 2.89Å
41N97.2Very high95.1Very high73 Ų7374 Ų7439%0.3936%0.362SS..Hα-helixtrans-76.4-29.8-179.8-74.2-29.9000113I37 G38 G43 W58I37-N41 PolarHBondContact O-N 2.89Å; I37-N41 VanDerWaalsContact O-N 3.13Å; G38-N41 PolarHBondContact O-N 3.25Å; N41-G43 VanDerWaalsContact C-N 3.32Å; N41-W58 PolarHBondContact ND2-O 3.33Å; N41-W58 WeakPolarHBondContact OD1-CB 3.37Å; N41-W58 PolarHBondContact OD1-N 3.22Å
42A95.4Very high95Very high64 Ų6471.2 Ų71.253%0.52935%0.345SS..Hα-helixtrans-77.9-15.7174.400000113.7G38 Q39 R46G38-A42 VanDerWaalsContact O-CB 3.3Å; G38-A42 WeakPolarHBondContact O-CB 3.48Å; G38-A42 PolarHBondContact O-N 3.45Å; Q39-A42 PolarHBondContact O-N 3.32Å; A42-R46 HydrophobicContact CB-CB 3.75Å; A42-R46 HydrophobicContact CB-CG 3.91Å
43G94Very high94.9Very high8 Ų870.9 Ų70.98%0.08235%0.345CS..  trans90.9178.1174.500000115.1Q39 N41 H45 R46 G48Q39-G43 PolarHBondContact O-N 2.87Å; Q39-G43 VanDerWaalsContact O-N 3.11Å; N41-G43 VanDerWaalsContact C-N 3.32Å; G43-H45 VanDerWaalsContact C-N 3.29Å; G43-H45 PolarHBondContact O-N 3.38Å; G43-R46 PolarHBondContact O-N 3.38Å; G43-G48 PolarHBondContact O-N 2.9Å; G43-G48 VanDerWaalsContact O-N 3.16Å
44R94.6Very high94.8Very high136 Ų13674 Ų7451%0.51338%0.379SS..G310 helixtrans-59.7-34.8-168.371.4179.4-178.1178.4-2.7114.6R46 G47 G48 S53R44-R46 PolarHBondContact O-N 3.26Å; R44-G47 PolarHBondContact O-N 2.97Å; R44-G47 VanDerWaalsContact O-N 3.1Å; R44-G48 WeakPolarHBondContact CA-O 3.46Å; R44-S53 PolarHBondContact N-OG 3.44Å; R44-S53 VanDerWaalsContact N-OG 3.14Å
45H91.2Very high94.8Very high157 Ų15773.7 Ų73.773%0.72737%0.374SS*.G310 helixtrans-69.3-13.1-178.3-63.8-75.9000112.6G43G43-H45 VanDerWaalsContact C-N 3.29Å; G43-H45 PolarHBondContact O-N 3.38Å
46R93.5Very high94.6Very high192 Ų19268 Ų6873%0.72536%0.359SS*.G310 helixtrans-109.919.2176.1-60.4-70.4-167167.81.5112.1Q39 A42 G43 R44Q39-R46 WeakPolarHBondContact CG-O 3.41Å; A42-R46 HydrophobicContact CB-CB 3.75Å; A42-R46 HydrophobicContact CB-CG 3.91Å; G43-R46 PolarHBondContact O-N 3.38Å; R44-R46 PolarHBondContact O-N 3.26Å
47G92.3Very high94.6Very high41 Ų4169.2 Ų69.242%0.42337%0.373SS..THydrogen-bonded Turntrans89.66.2178.700000115.3R36 R44R36-G47 PolarHBondContact NH1-O 3.41Å; R44-G47 PolarHBondContact O-N 2.97Å; R44-G47 VanDerWaalsContact O-N 3.1Å
48G93.8Very high94.6Very high9 Ų967.9 Ų67.99%0.09337%0.366CS..  trans-69.5155.2172.500000112.9Q39 G43 R44Q39-G48 VanDerWaalsContact O-CA 3.23Å; Q39-G48 WeakPolarHBondContact O-CA 3.41Å; Q39-G48 PolarHBondContact O-N 3.48Å; G43-G48 PolarHBondContact O-N 2.9Å; G43-G48 VanDerWaalsContact O-N 3.16Å; R44-G48 WeakPolarHBondContact CA-O 3.46Å
49A93.6Very high94.7Very high15 Ų1568.2 Ų68.212%0.12436%0.357CS..  trans-66.7141.7176.500000111.9Y26 R51 T52 S53Y26-A49 HydrophobicContact CE2-CB 3.7Å; Y26-A49 VanDerWaalsContact OH-CB 3.3Å; Y26-A49 WeakPolarHBondContact OH-CB 3.49Å; A49-R51 PolarHBondContact O-N 3.46Å; A49-R51 VanDerWaalsContact O-N 3.13Å; A49-T52 HydrophobicContact CB-CG2 4.36Å; A49-T52 PolarHBondContact O-N 2.75Å; A49-T52 PolarHBondContact O-OG1 3.09Å; A49-S53 PolarHBondContact O-N 3.48Å
50K94.6Very high94.7Very high177 Ų17766.7 Ų66.777%0.7735%0.35SS*.THydrogen-bonded Turntrans-52.2-39.1176.7-177.2179.4177.8-179.80112.1T52 S53K50-T52 VanDerWaalsContact C-N 3.25Å; K50-T52 PolarHBondContact O-N 2.81Å; K50-S53 PolarHBondContact O-N 3.36Å
51R93.6Very high94.8Very high174 Ų17466.6 Ų66.666%0.65735%0.349SS*.THydrogen-bonded Turntrans-67.1-21.6-178.4-168174.3179.9157.51.2113.7Y26 A49 R55Y26-R51 HydrophobicContact CD2-CB 4.18Å; Y26-R51 HydrophobicContact CD2-CG 4.39Å; Y26-R51 HydrophobicContact CE2-CB 4.15Å; A49-R51 PolarHBondContact O-N 3.46Å; A49-R51 VanDerWaalsContact O-N 3.13Å; R51-R55 WeakPolarHBondContact O-CD 3.29Å; R51-R55 PolarHBondContact O-NH1 2.73Å
52T93.2Very high94.8Very high0 Ų063.1 Ų63.10%033%0.331CS..THydrogen-bonded Turntrans-101.8-17-178.265.80000113.6L14 Y26 H40 A49 K50 G54 R55 W58L14-T52 HydrophobicContact CD1-CG2 4.41Å; Y26-T52 HydrophobicContact CD1-CG2 4.13Å; Y26-T52 HydrophobicContact CD2-CG2 3.47Å; Y26-T52 VanDerWaalsContact CD2-CG2 3.47Å; Y26-T52 HydrophobicContact CE2-CG2 3.99Å; Y26-T52 HydrophobicContact CG-CG2 3.56Å; H40-T52 VanDerWaalsContact ND1-CG2 3.35Å; H40-T52 WeakPolarHBondContact ND1-CG2 3.4Å; H40-T52 PolarHBondContact ND1-OG1 2.89Å; A49-T52 HydrophobicContact CB-CG2 4.36Å; A49-T52 PolarHBondContact O-N 2.75Å; A49-T52 PolarHBondContact O-OG1 3.09Å; K50-T52 VanDerWaalsContact C-N 3.25Å; K50-T52 PolarHBondContact O-N 2.81Å; T52-G54 PolarHBondContact O-N 2.98Å; T52-R55 PolarHBondContact O-N 3.49Å; T52-W58 HydrophobicContact CG2-CD2 4.37Å; T52-W58 HydrophobicContact CG2-CH2 4.33Å; T52-W58 HydrophobicContact CG2-CZ2 3.93Å; T52-W58 PolarHBondContact O-NE1 3Å
53S94.3Very high95Very high34 Ų3460 Ų6024%0.23831%0.306CS..THydrogen-bonded Turntrans-59129.9-174.9-162.80000112.7R44 A49 K50 R55R44-S53 PolarHBondContact N-OG 3.44Å; R44-S53 VanDerWaalsContact N-OG 3.14Å; A49-S53 PolarHBondContact O-N 3.48Å; K50-S53 PolarHBondContact O-N 3.36Å; S53-R55 PolarHBondContact O-N 2.95Å
54G93.2Very high95.2Very high72 Ų7259.7 Ų59.774%0.74230%0.302SS*.THydrogen-bonded Turntrans67.912.3177.200000115T52T52-G54 PolarHBondContact O-N 2.98Å
55R93.8Very high95.3Very high81 Ų8153.4 Ų53.431%0.30628%0.278SS..SBendtrans-114.8-8.8-178.1-65.4172.7-177.6178.3-3.7113.4C16 N18 F21 R51 T52 S53 W58C16-R55 PolarHBondContact SG-O 2.96Å; N18-R55 WeakPolarHBondContact CB-O 3.16Å; F21-R55 HydrophobicContact CD2-CB 3.83Å; F21-R55 HydrophobicContact CD2-CG 3.97Å; F21-R55 HydrophobicContact CE2-CB 4.17Å; F21-R55 HydrophobicContact CE2-CG 3.87Å; F21-R55 HydrophobicContact CG-CB 4.27Å; F21-R55 HydrophobicContact CG-CG 4.34Å; F21-R55 HydrophobicContact CZ-CG 4.16Å; R51-R55 WeakPolarHBondContact O-CD 3.29Å; R51-R55 PolarHBondContact O-NH1 2.73Å; T52-R55 PolarHBondContact O-N 3.49Å; S53-R55 PolarHBondContact O-N 2.95Å; R55-W58 HydrophobicContact CB-CZ2 3.82Å
56G92.8Very high95.4Very high21 Ų2146.8 Ų46.822%0.21625%0.252CS..  trans-66.7178.3179.600000113.2N18 W58N18-G56 WeakPolarHBondContact CB-O 3.46Å; N18-G56 PolarHBondContact ND2-O 2.96Å; G56-W58 VanDerWaalsContact CA-CD1 3.41Å
57P96.4Very high95.5Very high74 Ų7438 Ų3848%0.48122%0.22SC..  cis-70.1144.59.324.2-30.5000113.7T17T17-P57 PolarHBondContact N-O 3.12Å; T17-P57 VanDerWaalsContact N-O 3.1Å; T17-P57 PolarHBondContact OG1-O 3.27Å
58W98.1Very high95.5Very high9 Ų940.2 Ų40.23%0.03423%0.227CC..EExtended strand (participates in β ladder)trans-108.9141.7172.4-6390.9000108.9L14 Y15 C16 R24 I37 N41 T52 R55 G56L14-W58 HydrophobicContact CB-CE3 3.73Å; L14-W58 HydrophobicContact CB-CZ3 4.39Å; L14-W58 HydrophobicContact CD1-CB 4.21Å; L14-W58 HydrophobicContact CD1-CD2 4.4Å; L14-W58 HydrophobicContact CD1-CE3 4.29Å; L14-W58 HydrophobicContact CD1-CG 4.38Å; Y15-W58 WeakPolarHBondContact O-CA 3.26Å; C16-W58 HydrophobicContact CB-CD2 4.21Å; C16-W58 HydrophobicContact CB-CE3 3.74Å; C16-W58 HydrophobicContact CB-CH2 3.93Å; C16-W58 HydrophobicContact CB-CZ2 4.34Å; C16-W58 HydrophobicContact CB-CZ3 3.61Å; R24-W58 HydrophobicContact CB-CH2 4.08Å; R24-W58 HydrophobicContact CB-CZ3 4.35Å; R24-W58 WeakPolarHBondContact O-CZ3 3.29Å; I37-W58 HydrophobicContact CD1-CB 4.14Å; I37-W58 WeakPolarHBondContact CD1-O 3.31Å; N41-W58 PolarHBondContact ND2-O 3.33Å; N41-W58 WeakPolarHBondContact OD1-CB 3.37Å; N41-W58 PolarHBondContact OD1-N 3.22Å; T52-W58 HydrophobicContact CG2-CD2 4.37Å; T52-W58 HydrophobicContact CG2-CH2 4.33Å; T52-W58 HydrophobicContact CG2-CZ2 3.93Å; T52-W58 PolarHBondContact O-NE1 3Å; R55-W58 HydrophobicContact CB-CZ2 3.82Å; G56-W58 VanDerWaalsContact CA-CD1 3.41Å
59E98Very high95.5Very high47 Ų4741.6 Ų41.622%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-115.2135.3170.2-63.2-166.2121.800109.4L14 Y15 T17 V61 K129 Y132L14-E59 CarbonylContact C-O 3.59Å; L14-E59 WeakPolarHBondContact CA-O 3.29Å; Y15-E59 PolarHBondContact N-O 2.84Å; Y15-E59 PolarHBondContact O-N 3.39Å; T17-E59 HydrophobicContact CG2-CG 4.03Å; T17-E59 WeakPolarHBondContact CG2-OE2 3.35Å; E59-V61 HydrophobicContact CB-CG1 4.18Å; E59-V61 PolarHBondContact O-N 3.09Å; E59-K129 IonicContact OE1-NZ 2.76Å; E59-K129 PolarHBondContact OE1-NZ 3.33Å; E59-Y132 WeakPolarHBondContact OE2-CE2 3.38Å; E59-Y132 PolarHBondContact OE2-OH 2.9Å
60M98.3Very high95.6Very high14 Ų1444.4 Ų44.47%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-81.9109.4168.1-168.2-177.5-66.300107.9Y12 L14 P33 I37 I63 L128Y12-M60 HydrophobicContact CD1-CE 3.99Å; Y12-M60 HydrophobicContact CD2-CE 3.79Å; Y12-M60 HydrophobicContact CD2-CG 4.21Å; Y12-M60 HydrophobicContact CD2-SD 4.4Å; Y12-M60 HydrophobicContact CE1-CE 4.42Å; Y12-M60 HydrophobicContact CE2-CE 4.23Å; Y12-M60 HydrophobicContact CG-CE 3.65Å; Y12-M60 HydrophobicContact CG-CG 4.23Å; Y12-M60 HydrophobicContact CG-SD 3.97Å; L14-M60 HydrophobicContact CD2-CB 3.68Å; L14-M60 HydrophobicContact CD2-CE 4.32Å; L14-M60 HydrophobicContact CD2-CG 3.94Å; P33-M60 HydrophobicContact CB-CE 4.07Å; P33-M60 HydrophobicContact CB-SD 3.87Å; I37-M60 HydrophobicContact CB-CE 4.37Å; I37-M60 HydrophobicContact CD1-CB 4.25Å; M60-I63 HydrophobicContact SD-CD1 4.45Å; M60-L128 HydrophobicContact CB-CD1 4.05Å; M60-L128 HydrophobicContact CG-CD1 3.66Å; M60-L128 WeakPolarHBondContact O-CB 3.34Å; M60-L128 HydrophobicContact SD-CD1 3.68Å
61V98.3Very high95.7Very high0 Ų040.6 Ų40.60%024%0.235CC..EExtended strand (participates in β ladder)trans-97.4-31.8-171-61.50000112.3M13 E59 L102 W127 L128 Y132M13-V61 HydrophobicContact CB-CG2 4.38Å; M13-V61 HydrophobicContact CE-CG2 3.82Å; M13-V61 HydrophobicContact CG-CG2 4.21Å; M13-V61 WeakPolarHBondContact O-CG2 3.31Å; M13-V61 PolarHBondContact O-N 3.12Å; E59-V61 HydrophobicContact CB-CG1 4.18Å; E59-V61 PolarHBondContact O-N 3.09Å; V61-L102 HydrophobicContact CG2-CD1 4.42Å; V61-W127 HydrophobicContact CB-CZ3 4.49Å; V61-W127 HydrophobicContact CG2-CZ3 4.32Å; V61-L128 PolarHBondContact O-N 2.84Å; V61-Y132 HydrophobicContact CB-CD2 3.96Å; V61-Y132 HydrophobicContact CB-CG 3.97Å; V61-Y132 HydrophobicContact CG1-CD1 4.02Å; V61-Y132 HydrophobicContact CG1-CD2 3.39Å; V61-Y132 HydrophobicContact CG1-CE1 4.11Å; V61-Y132 HydrophobicContact CG1-CE2 3.49Å; V61-Y132 VanDerWaalsContact CG1-CE2 3.49Å; V61-Y132 HydrophobicContact CG1-CG 3.64Å
62L98.5Very high95.9Very high0 Ų033.2 Ų33.20%021%0.211CC..EExtended strand (participates in β ladder)trans-140.3143.4-176.4179.464.9000109.8Y12 M13 I64 W80 W106 V109 T125 R126 W127Y12-L62 CarbonylContact C-O 3.55Å; Y12-L62 VanDerWaalsContact CA-O 3.24Å; Y12-L62 WeakPolarHBondContact CA-O 3.33Å; Y12-L62 WeakPolarHBondContact CB-O 3.24Å; M13-L62 HydrophobicContact CB-CB 4.12Å; M13-L62 HydrophobicContact CE-CB 3.89Å; M13-L62 HydrophobicContact CE-CD2 3.81Å; M13-L62 PolarHBondContact N-O 2.86Å; L62-I64 HydrophobicContact CD2-CD1 4.11Å; L62-I64 HydrophobicContact CG-CD1 4.12Å; L62-W80 HydrophobicContact CD2-CH2 3.88Å; L62-W80 HydrophobicContact CD2-CZ2 4.22Å; L62-W80 HydrophobicContact CG-CH2 4.49Å; L62-W106 HydrophobicContact CD1-CZ3 4.36Å; L62-W106 HydrophobicContact CD2-CE3 3.88Å; L62-W106 HydrophobicContact CD2-CZ3 3.87Å; L62-V109 HydrophobicContact CD2-CG1 4.35Å; L62-T125 HydrophobicContact CD1-CG2 3.69Å; L62-R126 WeakPolarHBondContact CA-O 3.49Å; L62-R126 WeakPolarHBondContact CD1-O 3.27Å; L62-W127 HydrophobicContact CB-CE3 3.93Å; L62-W127 HydrophobicContact CB-CH2 4.45Å; L62-W127 HydrophobicContact CB-CZ3 3.87Å; L62-W127 HydrophobicContact CD1-CD2 3.86Å; L62-W127 HydrophobicContact CD1-CE3 4.09Å; L62-W127 HydrophobicContact CD1-CG 4.23Å; L62-W127 HydrophobicContact CD1-CZ2 4.43Å; L62-W127 HydrophobicContact CD1-CZ3 4.46Å; L62-W127 HydrophobicContact CD2-CH2 4.21Å; L62-W127 HydrophobicContact CD2-CZ2 4.41Å; L62-W127 HydrophobicContact CD2-CZ3 4.44Å; L62-W127 HydrophobicContact CG-CZ3 4.49Å
63I98.5Very high96.1Very high0 Ų033.2 Ų33.20%021%0.211CC..EExtended strand (participates in β ladder)trans-139130.7169.2-170.3169.4000110.4V11 T30 P33 M60 R126 L128 I153V11-I63 WeakPolarHBondContact O-CA 3.31Å; T30-I63 HydrophobicContact CG2-CD1 4.43Å; P33-I63 HydrophobicContact CB-CD1 4.4Å; P33-I63 HydrophobicContact CG-CD1 3.62Å; M60-I63 HydrophobicContact SD-CD1 4.45Å; I63-R126 HydrophobicContact CG2-CB 3.97Å; I63-R126 HydrophobicContact CG2-CG 4.27Å; I63-R126 PolarHBondContact N-O 2.97Å; I63-R126 PolarHBondContact O-N 2.93Å; I63-L128 HydrophobicContact CG2-CD1 4.15Å; I63-L128 HydrophobicContact CG2-CD2 3.88Å; I63-L128 HydrophobicContact CG2-CG 4.1Å; I63-I153 HydrophobicContact CD1-CG2 4.27Å; I63-I153 HydrophobicContact CG2-CG2 4Å
64I98.4Very high96.3Very high0 Ų035 Ų350%022%0.218CC..EExtended strand (participates in β ladder)trans-98.5124.7167.8-63.188.8000106.5G10 V11 L62 F67 F76 W80 V109 L123 T124 T125G10-I64 CarbonylContact C-O 3.57Å; G10-I64 VanDerWaalsContact CA-O 3.27Å; G10-I64 WeakPolarHBondContact CA-O 3.46Å; V11-I64 PolarHBondContact N-O 2.85Å; V11-I64 PolarHBondContact O-N 2.82Å; L62-I64 HydrophobicContact CD2-CD1 4.11Å; L62-I64 HydrophobicContact CG-CD1 4.12Å; I64-F67 HydrophobicContact CB-CE2 4.31Å; I64-F67 HydrophobicContact CG2-CE2 3.83Å; I64-F67 HydrophobicContact CG2-CZ 3.84Å; I64-F67 WeakPolarHBondContact O-CE2 3.16Å; I64-F76 HydrophobicContact CD1-CE1 4.46Å; I64-F76 HydrophobicContact CG1-CZ 4.5Å; I64-F76 HydrophobicContact CG2-CZ 4.31Å; I64-W80 HydrophobicContact CD1-CE3 4.36Å; I64-W80 HydrophobicContact CD1-CH2 3.43Å; I64-W80 VanDerWaalsContact CD1-CH2 3.43Å; I64-W80 HydrophobicContact CD1-CZ2 4.48Å; I64-W80 HydrophobicContact CD1-CZ3 3.36Å; I64-V109 HydrophobicContact CD1-CG2 3.79Å; I64-V109 HydrophobicContact CG1-CG2 4.23Å; I64-L123 HydrophobicContact CG2-CB 4.17Å; I64-L123 HydrophobicContact CG2-CD1 4.2Å; I64-L123 HydrophobicContact CG2-CD2 4.42Å; I64-L123 HydrophobicContact CG2-CG 4.48Å; I64-T124 VanDerWaalsContact CA-O 3.31Å; I64-T124 WeakPolarHBondContact CA-O 3.11Å; I64-T125 HydrophobicContact CG1-CG2 4.36Å
65H96.8Very high96.6Very high4 Ų440.1 Ų40.12%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-137.7173.9-176.966.991.2000112L8 F9 L123 T124 R126 I153L8-H65 HydrophobicContact CD1-CB 3.52Å; F9-H65 WeakPolarHBondContact O-CA 3.36Å; H65-L123 CarbonylContact O-C 3.59Å; H65-L123 VanDerWaalsContact O-CA 3.23Å; H65-L123 WeakPolarHBondContact O-CA 3.24Å; H65-T124 PolarHBondContact N-O 3.24Å; H65-T124 PolarHBondContact O-N 3.23Å; H65-R126 PolarHBondContact NE2-NE 3.29Å; H65-I153 HydrophobicContact CB-CD1 4.46Å
66G93.3Very high96.8Very high18 Ų1836.2 Ų36.219%0.18620%0.2CC..  trans93.214.3-173.700000113.4
67F95.6Very high97.1Very high9 Ų936.6 Ų36.64%0.03920%0.196CC..  trans-62.3141.7171.6-67.8-81.6000110.4F9 V11 I64 S69 A72 A73 F76 L121 L123F9-F67 HydrophobicContact CB-CB 3.95Å; F9-F67 WeakPolarHBondContact CD2-O 3.28Å; F9-F67 WeakPolarHBondContact O-CD2 3.49Å; V11-F67 HydrophobicContact CB-CE2 4.22Å; V11-F67 HydrophobicContact CG2-CD2 4.42Å; V11-F67 HydrophobicContact CG2-CE2 3.72Å; V11-F67 HydrophobicContact CG2-CZ 4.05Å; I64-F67 HydrophobicContact CB-CE2 4.31Å; I64-F67 HydrophobicContact CG2-CE2 3.83Å; I64-F67 HydrophobicContact CG2-CZ 3.84Å; I64-F67 WeakPolarHBondContact O-CE2 3.16Å; F67-S69 PolarHBondContact O-N 3.48Å; F67-A72 HydrophobicContact CD1-CB 4.28Å; F67-A73 HydrophobicContact CB-CB 3.93Å; F67-A73 HydrophobicContact CD1-CB 4.22Å; F67-A73 HydrophobicContact CD2-CB 3.77Å; F67-A73 HydrophobicContact CE2-CB 4.35Å; F67-A73 HydrophobicContact CG-CB 3.7Å; F67-F76 HydrophobicContact CE1-CB 3.61Å; F67-F76 AromaticContact CE1-CD2 3.66Å; F67-F76 HydrophobicContact CE1-CD2 3.66Å; F67-F76 HydrophobicContact CE1-CE2 4.42Å; F67-F76 AromaticContact CE1-CG 3.7Å; F67-F76 HydrophobicContact CE1-CG 3.7Å; F67-F76 HydrophobicContact CZ-CB 3.71Å; F67-F76 AromaticContact CZ-CD1 3.83Å; F67-F76 HydrophobicContact CZ-CD1 3.83Å; F67-F76 AromaticContact CZ-CD2 3.65Å; F67-F76 HydrophobicContact CZ-CD2 3.65Å; F67-F76 HydrophobicContact CZ-CE1 4.32Å; F67-F76 HydrophobicContact CZ-CE2 4.16Å; F67-F76 AromaticContact CZ-CG 3.46Å; F67-F76 HydrophobicContact CZ-CG 3.46Å; F67-F76 VanDerWaalsContact CZ-CG 3.46Å; F67-F76 HydrophobicContact CZ-CZ 4.45Å; F67-L121 HydrophobicContact CD1-CD1 4.17Å; F67-L121 HydrophobicContact CE1-CD1 4.46Å; F67-L123 HydrophobicContact CD1-CD2 3.59Å; F67-L123 HydrophobicContact CD2-CD2 4.09Å; F67-L123 HydrophobicContact CE1-CD1 4.12Å; F67-L123 HydrophobicContact CE1-CD2 3.6Å; F67-L123 HydrophobicContact CE2-CD2 4.11Å; F67-L123 HydrophobicContact CG-CD2 3.83Å; F67-L123 HydrophobicContact CZ-CD1 4.31Å; F67-L123 HydrophobicContact CZ-CD2 3.86Å
68P92.1Very high97.2Very high87 Ų8739 Ų3957%0.56520%0.195SC*.SBendtrans-73.4-17.3-179.230.1-36.6000113.2A72 L121P68-A72 HydrophobicContact CG-CB 3.91Å; P68-L121 HydrophobicContact CG-CD2 4.09Å
69S93.9Very high97.2Very high38 Ų3838.7 Ų38.727%0.26620%0.195SC..SBendtrans-158.8165.4178.664.70000111.6F67 I71 A72 A73F67-S69 PolarHBondContact O-N 3.48Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-A72 PolarHBondContact O-N 2.89Å; S69-A72 PolarHBondContact OG-N 3.29Å; S69-A73 PolarHBondContact O-N 2.87Å; S69-A73 VanDerWaalsContact O-N 3.13Å
70D96.5Very high97.2Very high73 Ų7336.5 Ų36.539%0.3918%0.184SC..Hα-helixtrans-57.7-42.7167.760.8-16.8000112F9 F29 A72 A73 L74F9-D70 HydrophobicContact CD1-CB 4.14Å; F9-D70 HydrophobicContact CE1-CB 4.02Å; F29-D70 HydrophobicContact CZ-CB 3.93Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 3.48Å; D70-A73 CarbonylContact O-C 3.56Å; D70-A73 PolarHBondContact O-N 3.22Å; D70-A73 VanDerWaalsContact O-N 3.15Å; D70-L74 WeakPolarHBondContact O-CB 3.41Å; D70-L74 VanDerWaalsContact O-CG 3.23Å; D70-L74 WeakPolarHBondContact O-CG 3.44Å; D70-L74 PolarHBondContact O-N 2.94Å
71I97.1Very high97.2Very high98 Ų9839.5 Ų39.550%0.50320%0.198SC..Hα-helixtrans-58.9-43.8177.8-62.6172.1000110.9S69 R75S69-I71 VanDerWaalsContact C-N 3.33Å; I71-R75 WeakPolarHBondContact O-CB 3.46Å; I71-R75 WeakPolarHBondContact O-CG 3.43Å; I71-R75 PolarHBondContact O-N 3.03Å
72A96.9Very high97.2Very high19 Ų1942.1 Ų42.116%0.15721%0.212CC..Hα-helixtrans-63.9-42.9177.700000111.4F67 P68 S69 D70 F76F67-A72 HydrophobicContact CD1-CB 4.28Å; P68-A72 HydrophobicContact CG-CB 3.91Å; S69-A72 PolarHBondContact O-N 2.89Å; S69-A72 PolarHBondContact OG-N 3.29Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 3.48Å; A72-F76 PolarHBondContact O-N 2.79Å
73A98.1Very high97.1Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-66.6-43.9177.500000112.5F9 V11 F29 F67 S69 D70 R75 F76 E77F9-A73 HydrophobicContact CB-CB 4.35Å; V11-A73 HydrophobicContact CG2-CB 3.99Å; V11-A73 VanDerWaalsContact CG2-O 3.23Å; V11-A73 WeakPolarHBondContact CG2-O 3.5Å; F29-A73 HydrophobicContact CD2-CB 3.6Å; F29-A73 HydrophobicContact CE2-CB 3.66Å; F67-A73 HydrophobicContact CB-CB 3.93Å; F67-A73 HydrophobicContact CD1-CB 4.22Å; F67-A73 HydrophobicContact CD2-CB 3.77Å; F67-A73 HydrophobicContact CE2-CB 4.35Å; F67-A73 HydrophobicContact CG-CB 3.7Å; S69-A73 PolarHBondContact O-N 2.87Å; S69-A73 VanDerWaalsContact O-N 3.13Å; D70-A73 CarbonylContact O-C 3.56Å; D70-A73 PolarHBondContact O-N 3.22Å; D70-A73 VanDerWaalsContact O-N 3.15Å; A73-R75 PolarHBondContact O-N 3.32Å; A73-F76 CarbonylContact O-C 3.48Å; A73-F76 WeakPolarHBondContact O-CA 3.27Å; A73-F76 WeakPolarHBondContact O-CB 3.35Å; A73-F76 PolarHBondContact O-N 3.47Å; A73-F76 VanDerWaalsContact O-N 3.13Å; A73-E77 PolarHBondContact O-N 2.8Å
74L98.3Very high97.1Very high72 Ų7246.8 Ų46.838%0.37723%0.234SC..Hα-helixtrans-64.7-37.6179-71.7167.7000111.9F29 D70 F76 E77 W78F29-L74 HydrophobicContact CB-CD2 3.94Å; F29-L74 HydrophobicContact CD1-CD2 3.94Å; F29-L74 HydrophobicContact CD1-CG 4.49Å; F29-L74 HydrophobicContact CG-CD2 3.96Å; F29-L74 HydrophobicContact CG-CG 4.45Å; D70-L74 WeakPolarHBondContact O-CB 3.41Å; D70-L74 VanDerWaalsContact O-CG 3.23Å; D70-L74 WeakPolarHBondContact O-CG 3.44Å; D70-L74 PolarHBondContact O-N 2.94Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 2.67Å; L74-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L74-E77 PolarHBondContact O-N 3.35Å; L74-W78 WeakPolarHBondContact O-CB 3.44Å; L74-W78 PolarHBondContact O-N 3.26Å
75R98.2Very high97Very high178 Ų17850.6 Ų50.667%0.67226%0.261SS*.Hα-helixtrans-64-38172.3-75.1175.8174.9-176.3-0.3112I71 A73 A79I71-R75 WeakPolarHBondContact O-CB 3.46Å; I71-R75 WeakPolarHBondContact O-CG 3.43Å; I71-R75 PolarHBondContact O-N 3.03Å; A73-R75 PolarHBondContact O-N 3.32Å; R75-A79 PolarHBondContact O-N 2.81Å
76F98.6Very high97Very high0 Ų050.8 Ų50.80%026%0.263CS..Hα-helixtrans-66.2-50.8173.9-169.9-78.6000110.9V11 I64 F67 A72 A73 L74 W78 A79 W80 V109 M112 L113 W118 L123V11-F76 HydrophobicContact CB-CD1 4.15Å; V11-F76 HydrophobicContact CG1-CD1 4.16Å; V11-F76 HydrophobicContact CG2-CB 4.38Å; V11-F76 HydrophobicContact CG2-CD1 4.14Å; I64-F76 HydrophobicContact CD1-CE1 4.46Å; I64-F76 HydrophobicContact CG1-CZ 4.5Å; I64-F76 HydrophobicContact CG2-CZ 4.31Å; F67-F76 HydrophobicContact CE1-CB 3.61Å; F67-F76 AromaticContact CE1-CD2 3.66Å; F67-F76 HydrophobicContact CE1-CD2 3.66Å; F67-F76 HydrophobicContact CE1-CE2 4.42Å; F67-F76 AromaticContact CE1-CG 3.7Å; F67-F76 HydrophobicContact CE1-CG 3.7Å; F67-F76 HydrophobicContact CZ-CB 3.71Å; F67-F76 AromaticContact CZ-CD1 3.83Å; F67-F76 HydrophobicContact CZ-CD1 3.83Å; F67-F76 AromaticContact CZ-CD2 3.65Å; F67-F76 HydrophobicContact CZ-CD2 3.65Å; F67-F76 HydrophobicContact CZ-CE1 4.32Å; F67-F76 HydrophobicContact CZ-CE2 4.16Å; F67-F76 AromaticContact CZ-CG 3.46Å; F67-F76 HydrophobicContact CZ-CG 3.46Å; F67-F76 VanDerWaalsContact CZ-CG 3.46Å; F67-F76 HydrophobicContact CZ-CZ 4.45Å; A72-F76 PolarHBondContact O-N 2.79Å; A73-F76 CarbonylContact O-C 3.48Å; A73-F76 WeakPolarHBondContact O-CA 3.27Å; A73-F76 WeakPolarHBondContact O-CB 3.35Å; A73-F76 PolarHBondContact O-N 3.47Å; A73-F76 VanDerWaalsContact O-N 3.13Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 2.67Å; F76-W78 VanDerWaalsContact C-N 3.32Å; F76-W78 PolarHBondContact O-N 2.66Å; F76-A79 PolarHBondContact O-N 3.42Å; F76-A79 VanDerWaalsContact O-N 3.16Å; F76-W80 HydrophobicContact CD1-CE3 4.35Å; F76-W80 AromaticContact CE1-CE3 3.88Å; F76-W80 HydrophobicContact CE1-CE3 3.88Å; F76-W80 HydrophobicContact CE1-CZ3 4.39Å; F76-W80 PolarHBondContact O-N 3.36Å; F76-V109 HydrophobicContact CE1-CG2 3.8Å; F76-V109 HydrophobicContact CZ-CG2 3.53Å; F76-M112 HydrophobicContact CB-CE 4.4Å; F76-M112 HydrophobicContact CD1-CE 3.54Å; F76-M112 HydrophobicContact CD2-CE 3.63Å; F76-M112 HydrophobicContact CE1-CE 3.6Å; F76-M112 HydrophobicContact CE1-SD 4.36Å; F76-M112 HydrophobicContact CE2-CB 4.1Å; F76-M112 HydrophobicContact CE2-CE 3.69Å; F76-M112 HydrophobicContact CG-CE 3.56Å; F76-M112 HydrophobicContact CZ-CB 4.17Å; F76-M112 HydrophobicContact CZ-CE 3.68Å; F76-M112 HydrophobicContact CZ-SD 4.38Å; F76-M112 VanDerWaalsContact O-CE 3.23Å; F76-M112 WeakPolarHBondContact O-CE 3.47Å; F76-L113 HydrophobicContact CE2-CD2 4.31Å; F76-L113 HydrophobicContact CZ-CD2 4.27Å; F76-W118 HydrophobicContact CD2-CB 4.27Å; F76-W118 AromaticContact CD2-CD1 3.52Å; F76-W118 AromaticContact CD2-CD2 3.81Å; F76-W118 HydrophobicContact CD2-CD2 3.81Å; F76-W118 AromaticContact CD2-CE2 3.79Å; F76-W118 AromaticContact CD2-CG 3.62Å; F76-W118 HydrophobicContact CD2-CG 3.62Å; F76-W118 AromaticContact CD2-NE1 3.57Å; F76-W118 HydrophobicContact CE2-CB 4.21Å; F76-W118 HydrophobicContact CE2-CD2 4.21Å; F76-W118 AromaticContact CE2-CG 3.99Å; F76-W118 HydrophobicContact CE2-CG 3.99Å; F76-L123 HydrophobicContact CE2-CD1 4.26Å
77E98.7Very high97.1Very high28 Ų2861 Ų6113%0.13130%0.296CS..Hα-helixtrans-51.7-50.4176.5-176.2-154.3-168.800111.5V11 I27 G28 F29 A73 L74 A79 W80 Q81V11-E77 HydrophobicContact CG1-CB 3.86Å; V11-E77 HydrophobicContact CG1-CG 4.18Å; V11-E77 HydrophobicContact CG2-CB 4.16Å; I27-E77 HydrophobicContact CG2-CG 4.19Å; G28-E77 VanDerWaalsContact CA-OE1 3.31Å; G28-E77 WeakPolarHBondContact CA-OE1 3.18Å; F29-E77 PolarHBondContact N-OE1 3.31Å; A73-E77 PolarHBondContact O-N 2.8Å; L74-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L74-E77 PolarHBondContact O-N 3.35Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 2.8Å; E77-W80 PolarHBondContact O-N 2.72Å; E77-Q81 HydrophobicContact CG-CG 4.47Å; E77-Q81 WeakPolarHBondContact O-CB 3.19Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3Å; E77-Q81 PolarHBondContact OE1-NE2 3.38Å
78W98.4Very high97.1Very high126 Ų12666.7 Ų66.748%0.47732%0.317SS..Hα-helixtrans-60.1-44-179.2-178.390.3000112.1L74 F76 W80 Q81 N82L74-W78 WeakPolarHBondContact O-CB 3.44Å; L74-W78 PolarHBondContact O-N 3.26Å; F76-W78 VanDerWaalsContact C-N 3.32Å; F76-W78 PolarHBondContact O-N 2.66Å; W78-W80 VanDerWaalsContact C-N 3.33Å; W78-W80 PolarHBondContact O-N 2.68Å; W78-Q81 PolarHBondContact O-N 3.12Å; W78-N82 HydrophobicContact CH2-CB 4.47Å; W78-N82 HydrophobicContact CZ2-CB 4.24Å; W78-N82 WeakPolarHBondContact O-CB 3.37Å; W78-N82 PolarHBondContact O-N 3.36Å; W78-N82 PolarHBondContact O-ND2 3.04Å
79A98.6Very high97.3Very high2 Ų262.6 Ų62.62%0.01729%0.29CS..Hα-helixtrans-66.6-35.7178.800000112.1R75 F76 E77 N82 P83 L89 M112 W118R75-A79 PolarHBondContact O-N 2.81Å; F76-A79 PolarHBondContact O-N 3.42Å; F76-A79 VanDerWaalsContact O-N 3.16Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 2.8Å; A79-N82 CarbonylContact O-C 3.54Å; A79-N82 VanDerWaalsContact O-C 3.27Å; A79-N82 PolarHBondContact O-N 3.07Å; A79-P83 WeakPolarHBondContact O-CA 3.43Å; A79-P83 VanDerWaalsContact O-N 3.14Å; A79-L89 HydrophobicContact CB-CD1 4.38Å; A79-M112 HydrophobicContact CB-CE 3.92Å; A79-W118 HydrophobicContact CB-CH2 3.46Å; A79-W118 VanDerWaalsContact CB-CH2 3.46Å; A79-W118 HydrophobicContact CB-CZ2 3.78Å
80W98.6Very high97.3Very high0 Ų065.7 Ų65.70%031%0.312CS..Hα-helixtrans-70.2-36.7175.8-165.34.6000112.3V11 M13 I27 L62 I64 F76 E77 W78 N82 H105 V109 M112V11-W80 HydrophobicContact CG1-CE3 3.69Å; V11-W80 HydrophobicContact CG1-CZ3 3.96Å; M13-W80 HydrophobicContact CB-CH2 3.85Å; M13-W80 HydrophobicContact CB-CZ2 4.14Å; M13-W80 HydrophobicContact SD-CZ2 4.06Å; I27-W80 HydrophobicContact CD1-CD2 3.87Å; I27-W80 HydrophobicContact CD1-CE3 4.19Å; I27-W80 HydrophobicContact CD1-CG 4.44Å; I27-W80 HydrophobicContact CD1-CH2 4.12Å; I27-W80 HydrophobicContact CD1-CZ2 3.8Å; I27-W80 HydrophobicContact CD1-CZ3 4.28Å; I27-W80 HydrophobicContact CG1-CD2 4.08Å; I27-W80 HydrophobicContact CG1-CG 4.19Å; I27-W80 HydrophobicContact CG2-CB 4.18Å; I27-W80 HydrophobicContact CG2-CD2 3.8Å; I27-W80 HydrophobicContact CG2-CE3 3.54Å; I27-W80 HydrophobicContact CG2-CG 4.08Å; I27-W80 HydrophobicContact CG2-CZ3 4.2Å; L62-W80 HydrophobicContact CD2-CH2 3.88Å; L62-W80 HydrophobicContact CD2-CZ2 4.22Å; L62-W80 HydrophobicContact CG-CH2 4.49Å; I64-W80 HydrophobicContact CD1-CE3 4.36Å; I64-W80 HydrophobicContact CD1-CH2 3.43Å; I64-W80 VanDerWaalsContact CD1-CH2 3.43Å; I64-W80 HydrophobicContact CD1-CZ2 4.48Å; I64-W80 HydrophobicContact CD1-CZ3 3.36Å; F76-W80 HydrophobicContact CD1-CE3 4.35Å; F76-W80 AromaticContact CE1-CE3 3.88Å; F76-W80 HydrophobicContact CE1-CE3 3.88Å; F76-W80 HydrophobicContact CE1-CZ3 4.39Å; F76-W80 PolarHBondContact O-N 3.36Å; E77-W80 PolarHBondContact O-N 2.72Å; W78-W80 VanDerWaalsContact C-N 3.33Å; W78-W80 PolarHBondContact O-N 2.68Å; W80-N82 VanDerWaalsContact C-N 3.34Å; W80-H105 AromaticContact NE1-CD2 3.98Å; W80-H105 PolarHBondContact NE1-O 3.06Å; W80-V109 HydrophobicContact CD2-CB 4.31Å; W80-V109 HydrophobicContact CD2-CG2 4.34Å; W80-V109 HydrophobicContact CE3-CG2 4.41Å; W80-V109 HydrophobicContact CH2-CB 4.37Å; W80-V109 HydrophobicContact CH2-CG1 4.47Å; W80-V109 HydrophobicContact CH2-CG2 4.27Å; W80-V109 HydrophobicContact CZ2-CB 3.8Å; W80-V109 HydrophobicContact CZ2-CG1 3.93Å; W80-V109 HydrophobicContact CZ2-CG2 4.17Å; W80-V109 HydrophobicContact CZ3-CG2 4.4Å; W80-M112 HydrophobicContact CB-CE 4Å; W80-M112 HydrophobicContact CB-SD 3.68Å; W80-M112 HydrophobicContact CG-SD 4.04Å
81Q98.2Very high97.2Very high77 Ų7767 Ų6736%0.3632%0.315SS..Hα-helixtrans-69.7-31.1173.1-72.9174.5-1.800112.6I27 E77 W78 P83I27-Q81 HydrophobicContact CB-CG 3.85Å; I27-Q81 HydrophobicContact CG2-CG 4.21Å; I27-Q81 PolarHBondContact O-NE2 3.37Å; E77-Q81 HydrophobicContact CG-CG 4.47Å; E77-Q81 WeakPolarHBondContact O-CB 3.19Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3Å; E77-Q81 PolarHBondContact OE1-NE2 3.38Å; W78-Q81 PolarHBondContact O-N 3.12Å; Q81-P83 VanDerWaalsContact C-CD 3.48Å
82N97.8Very high97.1Very high56 Ų5662.6 Ų62.630%0.29929%0.293SS..  trans-13058.5-171.3-53-81.5000112.2W78 A79 W80 H84 S85 S86W78-N82 HydrophobicContact CH2-CB 4.47Å; W78-N82 HydrophobicContact CZ2-CB 4.24Å; W78-N82 WeakPolarHBondContact O-CB 3.37Å; W78-N82 PolarHBondContact O-N 3.36Å; W78-N82 PolarHBondContact O-ND2 3.04Å; A79-N82 CarbonylContact O-C 3.54Å; A79-N82 VanDerWaalsContact O-C 3.27Å; A79-N82 PolarHBondContact O-N 3.07Å; W80-N82 VanDerWaalsContact C-N 3.34Å; N82-H84 VanDerWaalsContact C-N 3.26Å; N82-H84 PolarHBondContact O-N 3.26Å; N82-S85 PolarHBondContact O-N 2.77Å; N82-S86 PolarHBondContact O-N 2.97Å; N82-S86 VanDerWaalsContact O-N 3.15Å
83P97.4Very high97.1Very high7 Ų766.2 Ų66.25%0.04531%0.314CS..THydrogen-bonded Turntrans-59-36.9-172.121.7-32.7000112.8A79 Q81 S85 S86 L89 F104 V108A79-P83 WeakPolarHBondContact O-CA 3.43Å; A79-P83 VanDerWaalsContact O-N 3.14Å; Q81-P83 VanDerWaalsContact C-CD 3.48Å; P83-S85 VanDerWaalsContact C-N 3.34Å; P83-S85 PolarHBondContact O-N 3.12Å; P83-S86 PolarHBondContact O-N 3.1Å; P83-L89 HydrophobicContact CB-CD1 4.06Å; P83-L89 WeakPolarHBondContact O-CB 3.33Å; P83-F104 HydrophobicContact CG-CE1 4.27Å; P83-F104 HydrophobicContact CG-CZ 3.96Å; P83-V108 HydrophobicContact CB-CG1 3.92Å; P83-V108 HydrophobicContact CB-CG2 4.06Å; P83-V108 HydrophobicContact CG-CG1 4.42Å; P83-V108 HydrophobicContact CG-CG2 4.06Å
84H97.1Very high97Very high90 Ų9075.7 Ų75.742%0.41735%0.349SS..THydrogen-bonded Turntrans-79.6-13.7-178.1-51.6-53.1000114.4N82 V92 F104N82-H84 VanDerWaalsContact C-N 3.26Å; N82-H84 PolarHBondContact O-N 3.26Å; H84-V92 PolarHBondContact CE1-O 3.41Å; H84-V92 VanDerWaalsContact CE1-O 3.28Å; H84-V92 PolarHBondContact ND1-O 3.07Å; H84-F104 AromaticContact NE2-CZ 3.78Å
85S97.4Very high97Very high80 Ų8078.7 Ų78.756%0.55936%0.356SS*.THydrogen-bonded Turntrans-92.1-18.9171.7-53.90000111.7N82 P83 R87N82-S85 PolarHBondContact O-N 2.77Å; P83-S85 VanDerWaalsContact C-N 3.34Å; P83-S85 PolarHBondContact O-N 3.12Å; S85-R87 PolarHBondContact O-N 2.96Å
86S96.6Very high96.9Very high8 Ų873.1 Ų73.16%0.05634%0.344CS..  trans-77.8118.8179.3-179.50000110.9N82 P83 R88 L89N82-S86 PolarHBondContact O-N 2.97Å; N82-S86 VanDerWaalsContact O-N 3.15Å; P83-S86 PolarHBondContact O-N 3.1Å; S86-R88 PolarHBondContact O-N 2.92Å; S86-R88 PolarHBondContact OG-N 2.76Å; S86-L89 PolarHBondContact O-N 2.8Å
87R94.8Very high96.7Very high233 Ų23383.8 Ų83.888%0.87939%0.391SS*.G310 helixtrans-57.8-23.1175.4-57179.895.7-171.86.8113.1S85 L89S85-R87 PolarHBondContact O-N 2.96Å; R87-L89 VanDerWaalsContact C-N 3.31Å
88R94.9Very high96.5Very high129 Ų12992.1 Ų92.149%0.48743%0.426SS..G310 helixtrans-78.7-13.8178.5-70.6174.9174.569.95.5113.6S86 H91 V115 M116 W118S86-R88 PolarHBondContact O-N 2.92Å; S86-R88 PolarHBondContact OG-N 2.76Å; R88-H91 PolarHBondContact O-CE1 3.49Å; R88-H91 VanDerWaalsContact O-CE1 3.28Å; R88-V115 HydrophobicContact CB-CG2 4.17Å; R88-M116 VanDerWaalsContact CD-O 3.26Å; R88-M116 WeakPolarHBondContact CD-O 3.31Å; R88-M116 PolarHBondContact NE-O 3.44Å; R88-W118 HydrophobicContact CB-CH2 4.32Å; R88-W118 HydrophobicContact CB-CZ3 4.14Å
89L96.3Very high96.4Very high0 Ų087.6 Ų87.60%041%0.411CS..G310 helixtrans-125.124.8-172.4-59173.8000111.5A79 P83 S86 R87 H91 V92 V108 N111 M112A79-L89 HydrophobicContact CB-CD1 4.38Å; P83-L89 HydrophobicContact CB-CD1 4.06Å; P83-L89 WeakPolarHBondContact O-CB 3.33Å; S86-L89 PolarHBondContact O-N 2.8Å; R87-L89 VanDerWaalsContact C-N 3.31Å; L89-H91 PolarHBondContact O-N 3.02Å; L89-V92 HydrophobicContact CB-CB 4.32Å; L89-V92 HydrophobicContact CB-CG2 3.9Å; L89-V92 HydrophobicContact CD2-CG2 3.95Å; L89-V92 HydrophobicContact CG-CG2 4.47Å; L89-V92 WeakPolarHBondContact O-CB 3.46Å; L89-V92 PolarHBondContact O-N 3.41Å; L89-V108 HydrophobicContact CD1-CG1 4.23Å; L89-N111 HydrophobicContact CD2-CB 4.28Å; L89-M112 HydrophobicContact CD1-CG 3.67Å; L89-M112 HydrophobicContact CD1-SD 4.08Å; L89-M112 HydrophobicContact CD2-CG 3.7Å; L89-M112 HydrophobicContact CG-CG 4.25Å
90S94.3Very high96.4Very high104 Ų10490 Ų9073%0.72743%0.427SS*.THydrogen-bonded Turntrans-58.6-28.4176.854.40000113.2V92S90-V92 VanDerWaalsContact C-N 3.3Å
91H94.6Very high96.3Very high99 Ų9991 Ų9146%0.45843%0.434SS..THydrogen-bonded Turntrans-76.7-14175.461.8-84.6000113.4R88 L89 T93 N111R88-H91 PolarHBondContact O-CE1 3.49Å; R88-H91 VanDerWaalsContact O-CE1 3.28Å; L89-H91 PolarHBondContact O-N 3.02Å; H91-T93 PolarHBondContact O-N 3.48Å; H91-N111 PolarHBondContact NE2-OD1 3.01Å
92V96.1Very high96.3Very high6 Ų688.3 Ų88.34%0.03642%0.422CS..  trans-79.7109.2-178.8-178.10000109.8H84 L89 S90 V108 N111H84-V92 PolarHBondContact CE1-O 3.41Å; H84-V92 VanDerWaalsContact CE1-O 3.28Å; H84-V92 PolarHBondContact ND1-O 3.07Å; L89-V92 HydrophobicContact CB-CB 4.32Å; L89-V92 HydrophobicContact CB-CG2 3.9Å; L89-V92 HydrophobicContact CD2-CG2 3.95Å; L89-V92 HydrophobicContact CG-CG2 4.47Å; L89-V92 WeakPolarHBondContact O-CB 3.46Å; L89-V92 PolarHBondContact O-N 3.41Å; S90-V92 VanDerWaalsContact C-N 3.3Å; V92-V108 HydrophobicContact CG1-CG2 3.98Å; V92-N111 HydrophobicContact CG2-CB 3.83Å
93T96.3Very high96.3Very high96 Ų9689.6 Ų89.659%0.58943%0.426SS*.PPolyproline II helixtrans-66.4149.2178.157.10000112.3H91 R107H91-T93 PolarHBondContact O-N 3.48Å; T93-R107 PolarHBondContact O-NH1 3.06Å; T93-R107 PolarHBondContact O-NH2 2.71Å; T93-R107 PolarHBondContact OG1-NH1 2.75Å
94R96.7Very high96.3Very high199 Ų19990 Ų9075%0.75143%0.428SS*.PPolyproline II helixtrans-59.7151.5176.6-68.7-175.4177.7179.11.7111.4S96R94-S96 PolarHBondContact O-N 3.4Å
95R97.1Very high96.4Very high134 Ų13487.2 Ų87.251%0.50641%0.414SS..PPolyproline II helixtrans-56.6130.4177.4-170.8-179.674.9-1744111.5E99 F104R95-E99 WeakPolarHBondContact CA-OE2 3.37Å; R95-E99 WeakPolarHBondContact CD-O 3.31Å; R95-E99 HydrophobicContact CG-CB 4.06Å; R95-E99 HydrophobicContact CG-CG 4.21Å; R95-F104 HydrophobicContact CB-CB 4.21Å; R95-F104 HydrophobicContact CB-CD1 4.21Å; R95-F104 HydrophobicContact CB-CD2 3.56Å; R95-F104 HydrophobicContact CB-CE2 3.94Å; R95-F104 HydrophobicContact CB-CG 3.71Å; R95-F104 HydrophobicContact CB-CZ 4.41Å; R95-F104 HydrophobicContact CG-CB 3.77Å; R95-F104 HydrophobicContact CG-CD2 4.02Å; R95-F104 HydrophobicContact CG-CG 3.86Å
96S96.1Very high96.5Very high62 Ų6283.8 Ų83.843%0.43439%0.389SS..PPolyproline II helixtrans-81164.9173.885.10000112R94 K98 E99R94-S96 PolarHBondContact O-N 3.4Å; S96-K98 PolarHBondContact O-N 2.94Å; S96-K98 PolarHBondContact OG-N 3.34Å; S96-E99 PolarHBondContact N-OE2 2.8Å; S96-E99 PolarHBondContact O-N 2.91Å; S96-E99 WeakPolarHBondContact OG-CB 3.43Å; S96-E99 PolarHBondContact OG-N 3.15Å
97K93.9Very high96.5Very high224 Ų22484.9 Ų84.997%0.97439%0.392SS*.THydrogen-bonded Turntrans-66.4-24.9175.2-68.1-176.4-179.5177.80113.3
98K95.4Very high96.7Very high203 Ų20373.8 Ų73.888%0.88335%0.35SS*.THydrogen-bonded Turntrans-85.7-14.2180-62-177.5-180-178.80112.5S96S96-K98 PolarHBondContact O-N 2.94Å; S96-K98 PolarHBondContact OG-N 3.34Å
99E96.8Very high96.9Very high31 Ų3167.7 Ų67.715%0.14533%0.327CS..SBendtrans-93.7123.1-177-175-179.8-149.300110.2R95 S96 Q103 F104 R107R95-E99 WeakPolarHBondContact CA-OE2 3.37Å; R95-E99 WeakPolarHBondContact CD-O 3.31Å; R95-E99 HydrophobicContact CG-CB 4.06Å; R95-E99 HydrophobicContact CG-CG 4.21Å; S96-E99 PolarHBondContact N-OE2 2.8Å; S96-E99 PolarHBondContact O-N 2.91Å; S96-E99 WeakPolarHBondContact OG-CB 3.43Å; S96-E99 PolarHBondContact OG-N 3.15Å; E99-Q103 HydrophobicContact CG-CB 3.78Å; E99-F104 HydrophobicContact CG-CB 4.14Å; E99-F104 VanDerWaalsContact OE1-CA 3.31Å; E99-F104 WeakPolarHBondContact OE1-CA 3.36Å; E99-R107 IonicContact OE1-CZ 3.31Å; E99-R107 IonicContact OE1-NE 2.67Å; E99-R107 PolarHBondContact OE1-NE 3.22Å; E99-R107 IonicContact OE1-NH2 2.97Å; E99-R107 PolarHBondContact OE1-NH2 3.35Å; E99-R107 IonicContact OE2-CZ 2.77Å; E99-R107 IonicContact OE2-NE 3.83Å; E99-R107 IonicContact OE2-NH2 2.92Å; E99-R107 PolarHBondContact OE2-NH2 3.12Å
100S97.4Very high97Very high52 Ų5267.8 Ų67.836%0.36433%0.328SS..  trans-64.6159.1173.970.20000111.2L102 Q103 F104S100-L102 PolarHBondContact O-N 2.83Å; S100-Q103 PolarHBondContact O-N 3.22Å; S100-Q103 WeakPolarHBondContact OG-CB 3.44Å; S100-Q103 VanDerWaalsContact OG-CG 3.26Å; S100-Q103 WeakPolarHBondContact OG-CG 3.34Å; S100-Q103 PolarHBondContact OG-N 2.82Å; S100-Q103 VanDerWaalsContact OG-N 3.12Å; S100-Q103 PolarHBondContact OG-OE1 3.28Å; S100-F104 PolarHBondContact O-N 2.81Å
101S97.3Very high97.1Very high22 Ų2263.6 Ų63.615%0.15430%0.298CS..Hα-helixtrans-61.2-32.7174.9-163.30000112.1G23 I25 H105G23-S101 WeakPolarHBondContact O-CB 3.26Å; I25-S101 WeakPolarHBondContact CG1-OG 3.31Å; S101-H105 PolarHBondContact O-N 2.97Å; S101-H105 PolarHBondContact O-ND1 3.16Å
102L98Very high97.3Very high19 Ų1958.9 Ų58.910%0.09928%0.276CS..Hα-helixtrans-65.3-51.9176.6179.864.5000111M13 Y15 I25 V61 S100 F104 H105 W106 Y132 M134M13-L102 HydrophobicContact CE-CD1 3.34Å; M13-L102 HydrophobicContact SD-CD1 3.96Å; Y15-L102 HydrophobicContact CD2-CB 4.42Å; Y15-L102 HydrophobicContact CD2-CD1 4.42Å; Y15-L102 HydrophobicContact CD2-CD2 4.35Å; Y15-L102 HydrophobicContact CE2-CB 4.34Å; Y15-L102 HydrophobicContact CE2-CD2 4.3Å; I25-L102 HydrophobicContact CD1-CB 4.27Å; I25-L102 HydrophobicContact CD1-CD1 4.12Å; V61-L102 HydrophobicContact CG2-CD1 4.42Å; S100-L102 PolarHBondContact O-N 2.83Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.97Å; L102-H105 PolarHBondContact O-N 3.46Å; L102-W106 PolarHBondContact O-N 3.21Å; L102-Y132 HydrophobicContact CD2-CD1 3.91Å; L102-M134 HydrophobicContact CG-SD 4.36Å
103Q97.9Very high97.4Very high84 Ų8458.6 Ų58.639%0.39327%0.274SS..Hα-helixtrans-57.2-43.3178.3-74.3162.9-42.600111.8E99 S100 H105 W106 R107 M134E99-Q103 HydrophobicContact CG-CB 3.78Å; S100-Q103 PolarHBondContact O-N 3.22Å; S100-Q103 WeakPolarHBondContact OG-CB 3.44Å; S100-Q103 VanDerWaalsContact OG-CG 3.26Å; S100-Q103 WeakPolarHBondContact OG-CG 3.34Å; S100-Q103 PolarHBondContact OG-N 2.82Å; S100-Q103 VanDerWaalsContact OG-N 3.12Å; S100-Q103 PolarHBondContact OG-OE1 3.28Å; Q103-H105 PolarHBondContact O-N 2.83Å; Q103-W106 PolarHBondContact O-N 3.13Å; Q103-R107 WeakPolarHBondContact O-CB 3.26Å; Q103-R107 PolarHBondContact O-N 3.23Å; Q103-M134 HydrophobicContact CB-CE 4.12Å; Q103-M134 HydrophobicContact CG-CE 3.65Å; Q103-M134 HydrophobicContact CG-SD 4Å
104F98.3Very high97.4Very high16 Ų1659.7 Ų59.77%0.0727%0.267CS..Hα-helixtrans-59.3-49.2176.8177.8-112.6000112.8P83 H84 R95 E99 S100 L102 W106 R107 V108P83-F104 HydrophobicContact CG-CE1 4.27Å; P83-F104 HydrophobicContact CG-CZ 3.96Å; H84-F104 AromaticContact NE2-CZ 3.78Å; R95-F104 HydrophobicContact CB-CB 4.21Å; R95-F104 HydrophobicContact CB-CD1 4.21Å; R95-F104 HydrophobicContact CB-CD2 3.56Å; R95-F104 HydrophobicContact CB-CE2 3.94Å; R95-F104 HydrophobicContact CB-CG 3.71Å; R95-F104 HydrophobicContact CB-CZ 4.41Å; R95-F104 HydrophobicContact CG-CB 3.77Å; R95-F104 HydrophobicContact CG-CD2 4.02Å; R95-F104 HydrophobicContact CG-CG 3.86Å; E99-F104 HydrophobicContact CG-CB 4.14Å; E99-F104 VanDerWaalsContact OE1-CA 3.31Å; E99-F104 WeakPolarHBondContact OE1-CA 3.36Å; S100-F104 PolarHBondContact O-N 2.81Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 2.97Å; F104-W106 VanDerWaalsContact C-N 3.33Å; F104-W106 PolarHBondContact O-N 3.18Å; F104-R107 VanDerWaalsContact CD2-NH2 3.32Å; F104-R107 PolarHBondContact O-N 3.36Å; F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.37Å; F104-V108 HydrophobicContact CE1-CG2 4.03Å; F104-V108 HydrophobicContact CE2-CG2 3.97Å; F104-V108 HydrophobicContact CZ-CG2 3.79Å; F104-V108 VanDerWaalsContact O-CG2 3.24Å; F104-V108 WeakPolarHBondContact O-CG2 3.25Å; F104-V108 PolarHBondContact O-N 2.97Å
105H98.6Very high97.3Very high30 Ų3051.7 Ų51.714%0.13924%0.241CC..Hα-helixtrans-72-30.2-178-70.979.4000111.8M13 I25 W80 S101 L102 Q103 V109M13-H105 HydrophobicContact SD-CB 3.71Å; I25-H105 HydrophobicContact CG2-CB 4.38Å; W80-H105 AromaticContact NE1-CD2 3.98Å; W80-H105 PolarHBondContact NE1-O 3.06Å; S101-H105 PolarHBondContact O-N 2.97Å; S101-H105 PolarHBondContact O-ND1 3.16Å; L102-H105 PolarHBondContact O-N 3.46Å; Q103-H105 PolarHBondContact O-N 2.83Å; H105-V109 PolarHBondContact O-N 3.4Å
106W98.4Very high97.1Very high8 Ų849.2 Ų49.23%0.0324%0.236CC..Hα-helixtrans-60.9-53.5168.4178.9-113.8000111L62 L102 Q103 F104 V108 V109 S110 T125 W127 M134 D135 F136 L148L62-W106 HydrophobicContact CD1-CZ3 4.36Å; L62-W106 HydrophobicContact CD2-CE3 3.88Å; L62-W106 HydrophobicContact CD2-CZ3 3.87Å; L102-W106 PolarHBondContact O-N 3.21Å; Q103-W106 PolarHBondContact O-N 3.13Å; F104-W106 VanDerWaalsContact C-N 3.33Å; F104-W106 PolarHBondContact O-N 3.18Å; W106-V108 VanDerWaalsContact C-N 3.29Å; W106-V108 PolarHBondContact O-N 3.27Å; W106-V109 HydrophobicContact CE3-CG1 3.8Å; W106-V109 HydrophobicContact CZ3-CG1 4.18Å; W106-V109 VanDerWaalsContact O-CG1 3.25Å; W106-V109 WeakPolarHBondContact O-CG1 3.42Å; W106-V109 PolarHBondContact O-N 3.21Å; W106-S110 PolarHBondContact O-N 2.95Å; W106-S110 PolarHBondContact O-OG 3.33Å; W106-T125 HydrophobicContact CH2-CG2 4.11Å; W106-T125 HydrophobicContact CZ3-CG2 3.9Å; W106-W127 HydrophobicContact CD2-CH2 4.46Å; W106-W127 AromaticContact CD2-CZ2 3.85Å; W106-W127 HydrophobicContact CD2-CZ2 3.85Å; W106-W127 AromaticContact CE3-CH2 3.97Å; W106-W127 HydrophobicContact CE3-CH2 3.97Å; W106-W127 AromaticContact CE3-CZ2 3.39Å; W106-W127 HydrophobicContact CE3-CZ2 3.39Å; W106-W127 AromaticContact CH2-CZ2 3.97Å; W106-W127 HydrophobicContact CH2-CZ2 3.97Å; W106-W127 AromaticContact CH2-NE1 3.84Å; W106-W127 HydrophobicContact CZ2-CZ2 4.37Å; W106-W127 AromaticContact CZ3-CE2 3.9Å; W106-W127 HydrophobicContact CZ3-CH2 4.37Å; W106-W127 AromaticContact CZ3-CZ2 3.47Å; W106-W127 HydrophobicContact CZ3-CZ2 3.47Å; W106-W127 VanDerWaalsContact CZ3-CZ2 3.47Å; W106-M134 HydrophobicContact CB-CE 4.09Å; W106-M134 HydrophobicContact CB-SD 3.81Å; W106-M134 HydrophobicContact CD2-CB 4.18Å; W106-M134 HydrophobicContact CG-CB 4.01Å; W106-M134 HydrophobicContact CG-CE 3.94Å; W106-M134 HydrophobicContact CG-SD 3.91Å; W106-M134 WeakPolarHBondContact CZ2-O 3.42Å; W106-D135 PolarHBondContact NE1-O 2.93Å; W106-F136 HydrophobicContact CH2-CD1 4.25Å; W106-F136 HydrophobicContact CH2-CD2 4.44Å; W106-F136 AromaticContact CH2-CE1 3.64Å; W106-F136 HydrophobicContact CH2-CE1 3.64Å; W106-F136 AromaticContact CH2-CE2 3.87Å; W106-F136 HydrophobicContact CH2-CE2 3.87Å; W106-F136 AromaticContact CH2-CZ 3.42Å; W106-F136 HydrophobicContact CH2-CZ 3.42Å; W106-F136 VanDerWaalsContact CH2-CZ 3.42Å; W106-F136 AromaticContact CZ2-CD1 3.7Å; W106-F136 HydrophobicContact CZ2-CD1 3.7Å; W106-F136 HydrophobicContact CZ2-CD2 4.1Å; W106-F136 AromaticContact CZ2-CE1 3.57Å; W106-F136 HydrophobicContact CZ2-CE1 3.57Å; W106-F136 AromaticContact CZ2-CE2 3.98Å; W106-F136 HydrophobicContact CZ2-CE2 3.98Å; W106-F136 AromaticContact CZ2-CG 3.96Å; W106-F136 HydrophobicContact CZ2-CG 3.96Å; W106-F136 AromaticContact CZ2-CZ 3.72Å; W106-F136 HydrophobicContact CZ2-CZ 3.72Å; W106-F136 HydrophobicContact CZ3-CE1 4.45Å; W106-F136 HydrophobicContact CZ3-CZ 4.36Å; W106-L148 HydrophobicContact CH2-CD1 4.15Å
107R97.9Very high96.9Very high32 Ų3248.7 Ų48.712%0.12123%0.231CC..Hα-helixtrans-56.8-41.2177.6-178.3171.358.988.1-9112.7T93 E99 Q103 F104 S110 N111 L140T93-R107 PolarHBondContact O-NH1 3.06Å; T93-R107 PolarHBondContact O-NH2 2.71Å; T93-R107 PolarHBondContact OG1-NH1 2.75Å; E99-R107 IonicContact OE1-CZ 3.31Å; E99-R107 IonicContact OE1-NE 2.67Å; E99-R107 PolarHBondContact OE1-NE 3.22Å; E99-R107 IonicContact OE1-NH2 2.97Å; E99-R107 PolarHBondContact OE1-NH2 3.35Å; E99-R107 IonicContact OE2-CZ 2.77Å; E99-R107 IonicContact OE2-NE 3.83Å; E99-R107 IonicContact OE2-NH2 2.92Å; E99-R107 PolarHBondContact OE2-NH2 3.12Å; Q103-R107 WeakPolarHBondContact O-CB 3.26Å; Q103-R107 PolarHBondContact O-N 3.23Å; F104-R107 VanDerWaalsContact CD2-NH2 3.32Å; F104-R107 PolarHBondContact O-N 3.36Å; R107-S110 PolarHBondContact O-N 3.13Å; R107-N111 PolarHBondContact O-N 2.82Å; R107-N111 VanDerWaalsContact O-N 3.13Å; R107-N111 PolarHBondContact O-ND2 2.85Å; R107-L140 HydrophobicContact CG-CD1 4.33Å
108V98.4Very high97.1Very high0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-58.7-51.1174.7171.50000110.4P83 L89 V92 F104 W106 S110 N111 M112P83-V108 HydrophobicContact CB-CG1 3.92Å; P83-V108 HydrophobicContact CB-CG2 4.06Å; P83-V108 HydrophobicContact CG-CG1 4.42Å; P83-V108 HydrophobicContact CG-CG2 4.06Å; L89-V108 HydrophobicContact CD1-CG1 4.23Å; V92-V108 HydrophobicContact CG1-CG2 3.98Å; F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.37Å; F104-V108 HydrophobicContact CE1-CG2 4.03Å; F104-V108 HydrophobicContact CE2-CG2 3.97Å; F104-V108 HydrophobicContact CZ-CG2 3.79Å; F104-V108 VanDerWaalsContact O-CG2 3.24Å; F104-V108 WeakPolarHBondContact O-CG2 3.25Å; F104-V108 PolarHBondContact O-N 2.97Å; W106-V108 VanDerWaalsContact C-N 3.29Å; W106-V108 PolarHBondContact O-N 3.27Å; V108-S110 PolarHBondContact O-N 2.94Å; V108-N111 PolarHBondContact O-N 3.03Å; V108-M112 HydrophobicContact CG1-CG 4.4Å; V108-M112 HydrophobicContact CG1-SD 3.89Å; V108-M112 WeakPolarHBondContact O-CG 3.42Å; V108-M112 PolarHBondContact O-N 3.36Å
109V98.5Very high97.1Very high0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-69.2-34-177.478.40000112.3L62 I64 F76 W80 H105 W106 N111 M112 L113L62-V109 HydrophobicContact CD2-CG1 4.35Å; I64-V109 HydrophobicContact CD1-CG2 3.79Å; I64-V109 HydrophobicContact CG1-CG2 4.23Å; F76-V109 HydrophobicContact CE1-CG2 3.8Å; F76-V109 HydrophobicContact CZ-CG2 3.53Å; W80-V109 HydrophobicContact CD2-CB 4.31Å; W80-V109 HydrophobicContact CD2-CG2 4.34Å; W80-V109 HydrophobicContact CE3-CG2 4.41Å; W80-V109 HydrophobicContact CH2-CB 4.37Å; W80-V109 HydrophobicContact CH2-CG1 4.47Å; W80-V109 HydrophobicContact CH2-CG2 4.27Å; W80-V109 HydrophobicContact CZ2-CB 3.8Å; W80-V109 HydrophobicContact CZ2-CG1 3.93Å; W80-V109 HydrophobicContact CZ2-CG2 4.17Å; W80-V109 HydrophobicContact CZ3-CG2 4.4Å; H105-V109 PolarHBondContact O-N 3.4Å; W106-V109 HydrophobicContact CE3-CG1 3.8Å; W106-V109 HydrophobicContact CZ3-CG1 4.18Å; W106-V109 VanDerWaalsContact O-CG1 3.25Å; W106-V109 WeakPolarHBondContact O-CG1 3.42Å; W106-V109 PolarHBondContact O-N 3.21Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 3.16Å; V109-M112 WeakPolarHBondContact O-CB 3.31Å; V109-M112 PolarHBondContact O-N 3.4Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 2.86Å
110S98.3Very high97Very high2 Ų229.7 Ų29.71%0.01415%0.149CC..Hα-helixtrans-59.1-38.2172.1-51.20000112.5W106 R107 V108 F136W106-S110 PolarHBondContact O-N 2.95Å; W106-S110 PolarHBondContact O-OG 3.33Å; R107-S110 PolarHBondContact O-N 3.13Å; V108-S110 PolarHBondContact O-N 2.94Å; S110-F136 WeakPolarHBondContact OG-CD1 3.37Å; S110-F136 WeakPolarHBondContact OG-CE1 3.34Å
111N98.1Very high96.9Very high17 Ų1727.9 Ų27.99%0.09114%0.135CC..Hα-helixtrans-70.6-40.1171.8-77-83.2000111.8L89 H91 V92 R107 V108 V109 L113 R114 L140L89-N111 HydrophobicContact CD2-CB 4.28Å; H91-N111 PolarHBondContact NE2-OD1 3.01Å; V92-N111 HydrophobicContact CG2-CB 3.83Å; R107-N111 PolarHBondContact O-N 2.82Å; R107-N111 VanDerWaalsContact O-N 3.13Å; R107-N111 PolarHBondContact O-ND2 2.85Å; V108-N111 PolarHBondContact O-N 3.03Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 3.16Å; N111-L113 VanDerWaalsContact C-N 3.34Å; N111-L113 PolarHBondContact O-N 2.94Å; N111-R114 PolarHBondContact O-N 2.92Å; N111-L140 WeakPolarHBondContact OD1-CD2 3.31Å
112M98.3Very high96.8Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-59.9-41.2178.2-70173.367.700112.9F76 A79 W80 L89 V108 V109 R114 V115 W118F76-M112 HydrophobicContact CB-CE 4.4Å; F76-M112 HydrophobicContact CD1-CE 3.54Å; F76-M112 HydrophobicContact CD2-CE 3.63Å; F76-M112 HydrophobicContact CE1-CE 3.6Å; F76-M112 HydrophobicContact CE1-SD 4.36Å; F76-M112 HydrophobicContact CE2-CB 4.1Å; F76-M112 HydrophobicContact CE2-CE 3.69Å; F76-M112 HydrophobicContact CG-CE 3.56Å; F76-M112 HydrophobicContact CZ-CB 4.17Å; F76-M112 HydrophobicContact CZ-CE 3.68Å; F76-M112 HydrophobicContact CZ-SD 4.38Å; F76-M112 VanDerWaalsContact O-CE 3.23Å; F76-M112 WeakPolarHBondContact O-CE 3.47Å; A79-M112 HydrophobicContact CB-CE 3.92Å; W80-M112 HydrophobicContact CB-CE 4Å; W80-M112 HydrophobicContact CB-SD 3.68Å; W80-M112 HydrophobicContact CG-SD 4.04Å; L89-M112 HydrophobicContact CD1-CG 3.67Å; L89-M112 HydrophobicContact CD1-SD 4.08Å; L89-M112 HydrophobicContact CD2-CG 3.7Å; L89-M112 HydrophobicContact CG-CG 4.25Å; V108-M112 HydrophobicContact CG1-CG 4.4Å; V108-M112 HydrophobicContact CG1-SD 3.89Å; V108-M112 WeakPolarHBondContact O-CG 3.42Å; V108-M112 PolarHBondContact O-N 3.36Å; V109-M112 WeakPolarHBondContact O-CB 3.31Å; V109-M112 PolarHBondContact O-N 3.4Å; M112-R114 PolarHBondContact O-N 3.04Å; M112-V115 WeakPolarHBondContact O-CG2 3.48Å; M112-V115 PolarHBondContact O-N 3.32Å; M112-W118 HydrophobicContact CB-CE3 3.89Å; M112-W118 HydrophobicContact CB-CZ3 4.02Å; M112-W118 HydrophobicContact CE-CE3 4.34Å; M112-W118 HydrophobicContact CE-CH2 3.91Å; M112-W118 HydrophobicContact CE-CZ2 4.08Å; M112-W118 HydrophobicContact CE-CZ3 4.04Å; M112-W118 HydrophobicContact CG-CE3 4.27Å; M112-W118 HydrophobicContact CG-CZ3 3.89Å; M112-W118 VanDerWaalsContact O-CE3 3.3Å
113L97.9Very high96.7Very high0 Ų027.6 Ų27.60%013%0.134CC..THydrogen-bonded Turntrans-65.2-12.4-179.2-64.4173.7000113.6F76 V109 N111 S119 L123 T125 F136 P142 P143 I146F76-L113 HydrophobicContact CE2-CD2 4.31Å; F76-L113 HydrophobicContact CZ-CD2 4.27Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 2.86Å; N111-L113 VanDerWaalsContact C-N 3.34Å; N111-L113 PolarHBondContact O-N 2.94Å; L113-S119 VanDerWaalsContact O-CA 3.29Å; L113-S119 WeakPolarHBondContact O-CA 3.28Å; L113-S119 VanDerWaalsContact O-CB 3.31Å; L113-S119 WeakPolarHBondContact O-CB 3.46Å; L113-L123 HydrophobicContact CD2-CD1 4Å; L113-T125 VanDerWaalsContact CD1-OG1 3.27Å; L113-T125 WeakPolarHBondContact CD1-OG1 3.41Å; L113-F136 HydrophobicContact CD1-CE1 4.09Å; L113-F136 HydrophobicContact CD1-CZ 3.92Å; L113-P142 HydrophobicContact CB-CB 3.97Å; L113-P142 HydrophobicContact CD1-CB 4.21Å; L113-P143 WeakPolarHBondContact O-CD 3.48Å; L113-I146 HydrophobicContact CD1-CG2 4.48Å; L113-I146 HydrophobicContact CD2-CG2 4.23Å
114R96.4Very high96.6Very high119 Ų11924.2 Ų24.245%0.44912%0.119SC..THydrogen-bonded Turntrans-103.4-5.5-178.5-62.3175.568.2-140.26.1113.9N111 M112 G139 Q141N111-R114 PolarHBondContact O-N 2.92Å; M112-R114 PolarHBondContact O-N 3.04Å; R114-G139 PolarHBondContact NH1-O 3.1Å; R114-G139 PolarHBondContact NH2-O 3.19Å; R114-G139 VanDerWaalsContact NH2-O 3.12Å; R114-Q141 WeakPolarHBondContact CD-O 3.36Å
115V94.9Very high96.6Very high31 Ų3123.4 Ų23.419%0.18812%0.115CC..SBendtrans-111.1145.2-178-57.20000112.2R88 M112 W118 S119R88-V115 HydrophobicContact CB-CG2 4.17Å; M112-V115 WeakPolarHBondContact O-CG2 3.48Å; M112-V115 PolarHBondContact O-N 3.32Å; V115-W118 HydrophobicContact CG2-CE3 3.39Å; V115-W118 HydrophobicContact CG2-CZ3 3.48Å; V115-W118 VanDerWaalsContact CG2-CZ3 3.48Å; V115-W118 PolarHBondContact O-N 2.83Å; V115-S119 PolarHBondContact O-N 2.92Å; V115-S119 VanDerWaalsContact O-N 3.12Å
116M92.4Very high96.5Very high82 Ų8222.9 Ų22.940%0.40411%0.112SC..THydrogen-bonded Turntrans-66.7142.3176.8-72.7-63.7-72.900112R88 S119 R120R88-M116 VanDerWaalsContact CD-O 3.26Å; R88-M116 WeakPolarHBondContact CD-O 3.31Å; R88-M116 PolarHBondContact NE-O 3.44Å; M116-S119 PolarHBondContact SD-OG 2.67Å; M116-S119 VanDerWaalsContact SD-OG 3.36Å; M116-R120 HydrophobicContact CE-CB 4.47Å; M116-R120 HydrophobicContact CE-CG 4.14Å; M116-R120 HydrophobicContact SD-CB 4.19Å; M116-R120 VanDerWaalsContact SD-CD 3.5Å; M116-R120 HydrophobicContact SD-CG 3.55Å; M116-R120 VanDerWaalsContact SD-CG 3.55Å
117P92.8Very high96.5Very high51 Ų5122.6 Ų22.633%0.33111%0.111SC..THydrogen-bonded Turncis-86.4-6.14.635.5-36.3000114.2S119 R120P117-S119 VanDerWaalsContact C-N 3.33Å; P117-S119 PolarHBondContact O-N 2.92Å; P117-R120 PolarHBondContact O-N 2.85Å
118W96.4Very high96.4Very high11 Ų1122.5 Ų22.54%0.04211%0.113CC..G310 helixtrans-66.9-32.2-167.2-54-50.2000113.6F76 A79 R88 M112 V115 R120 L121 L123F76-W118 HydrophobicContact CD2-CB 4.27Å; F76-W118 AromaticContact CD2-CD1 3.52Å; F76-W118 AromaticContact CD2-CD2 3.81Å; F76-W118 HydrophobicContact CD2-CD2 3.81Å; F76-W118 AromaticContact CD2-CE2 3.79Å; F76-W118 AromaticContact CD2-CG 3.62Å; F76-W118 HydrophobicContact CD2-CG 3.62Å; F76-W118 AromaticContact CD2-NE1 3.57Å; F76-W118 HydrophobicContact CE2-CB 4.21Å; F76-W118 HydrophobicContact CE2-CD2 4.21Å; F76-W118 AromaticContact CE2-CG 3.99Å; F76-W118 HydrophobicContact CE2-CG 3.99Å; A79-W118 HydrophobicContact CB-CH2 3.46Å; A79-W118 VanDerWaalsContact CB-CH2 3.46Å; A79-W118 HydrophobicContact CB-CZ2 3.78Å; R88-W118 HydrophobicContact CB-CH2 4.32Å; R88-W118 HydrophobicContact CB-CZ3 4.14Å; M112-W118 HydrophobicContact CB-CE3 3.89Å; M112-W118 HydrophobicContact CB-CZ3 4.02Å; M112-W118 HydrophobicContact CE-CE3 4.34Å; M112-W118 HydrophobicContact CE-CH2 3.91Å; M112-W118 HydrophobicContact CE-CZ2 4.08Å; M112-W118 HydrophobicContact CE-CZ3 4.04Å; M112-W118 HydrophobicContact CG-CE3 4.27Å; M112-W118 HydrophobicContact CG-CZ3 3.89Å; M112-W118 VanDerWaalsContact O-CE3 3.3Å; V115-W118 HydrophobicContact CG2-CE3 3.39Å; V115-W118 HydrophobicContact CG2-CZ3 3.48Å; V115-W118 VanDerWaalsContact CG2-CZ3 3.48Å; V115-W118 PolarHBondContact O-N 2.83Å; W118-R120 PolarHBondContact O-N 2.95Å; W118-R120 VanDerWaalsContact O-N 3.1Å; W118-L121 PolarHBondContact O-N 2.96Å; W118-L121 VanDerWaalsContact O-N 3.12Å; W118-L123 HydrophobicContact CB-CD1 4.34Å
119S96Very high96.3Very high17 Ų1725.7 Ų25.712%0.11913%0.127CC..G310 helixtrans-67.3-3.1178610000115.3L113 V115 M116 P117 H145L113-S119 VanDerWaalsContact O-CA 3.29Å; L113-S119 WeakPolarHBondContact O-CA 3.28Å; L113-S119 VanDerWaalsContact O-CB 3.31Å; L113-S119 WeakPolarHBondContact O-CB 3.46Å; V115-S119 PolarHBondContact O-N 2.92Å; V115-S119 VanDerWaalsContact O-N 3.12Å; M116-S119 PolarHBondContact SD-OG 2.67Å; M116-S119 VanDerWaalsContact SD-OG 3.36Å; P117-S119 VanDerWaalsContact C-N 3.33Å; P117-S119 PolarHBondContact O-N 2.92Å; S119-H145 PolarHBondContact O-CE1 3.2Å; S119-H145 PolarHBondContact O-NE2 2.9Å
120R95.6Very high96Very high31 Ų3132.8 Ų32.812%0.11716%0.159CC..G310 helixtrans-123.16.3173.6-63.3-175.272.3102-3112.7M116 P117 W118 E212 H215 L217 V219M116-R120 HydrophobicContact CE-CB 4.47Å; M116-R120 HydrophobicContact CE-CG 4.14Å; M116-R120 HydrophobicContact SD-CB 4.19Å; M116-R120 VanDerWaalsContact SD-CD 3.5Å; M116-R120 HydrophobicContact SD-CG 3.55Å; M116-R120 VanDerWaalsContact SD-CG 3.55Å; P117-R120 PolarHBondContact O-N 2.85Å; W118-R120 PolarHBondContact O-N 2.95Å; W118-R120 VanDerWaalsContact O-N 3.1Å; R120-E212 IonicContact CZ-OE2 2.9Å; R120-E212 IonicContact NH1-OE2 3.91Å; R120-E212 PolarHBondContact NH1-OE2 2.93Å; R120-E212 IonicContact NH2-OE2 2.79Å; R120-E212 PolarHBondContact NH2-OE2 3.18Å; R120-H215 PolarHBondContact NH1-CD2 2.76Å; R120-H215 VanDerWaalsContact NH1-CD2 3.26Å; R120-L217 PolarHBondContact NE-O 3.38Å; R120-L217 PolarHBondContact NH2-O 2.81Å; R120-V219 HydrophobicContact CB-CG2 3.86Å; R120-V219 HydrophobicContact CG-CG2 3.72Å
121L95.6Very high95.9Very high13 Ų1338.7 Ų38.77%0.06819%0.187CC..SBendtrans-83.1147.7173-66.6-176.9000109F67 P68 W118 L123 H145 L217F67-L121 HydrophobicContact CD1-CD1 4.17Å; F67-L121 HydrophobicContact CE1-CD1 4.46Å; P68-L121 HydrophobicContact CG-CD2 4.09Å; W118-L121 PolarHBondContact O-N 2.96Å; W118-L121 VanDerWaalsContact O-N 3.12Å; L121-L123 HydrophobicContact CB-CD1 4.1Å; L121-L123 HydrophobicContact CB-CD2 3.9Å; L121-L123 HydrophobicContact CB-CG 3.64Å; L121-L123 HydrophobicContact CD1-CD2 4.37Å; L121-L123 PolarHBondContact O-N 3.2Å; L121-H145 PolarHBondContact O-NE2 3.34Å; L121-L217 HydrophobicContact CD2-CD1 4.04Å
122P94.2Very high95.8Very high35 Ų3539.3 Ų39.323%0.22719%0.188CC..  trans-7956.7-179.735.8-37.8000111.4G233 R237P122-G233 VanDerWaalsContact CB-CA 3.46Å; P122-R237 PolarHBondContact O-NH2 3.24Å
123L96.2Very high95.6Very high1 Ų144.8 Ų44.81%0.00521%0.209CC..  trans-78.1156.1-176.2-57.4179.2000110.7I64 H65 F67 F76 L113 W118 L121 I146I64-L123 HydrophobicContact CG2-CB 4.17Å; I64-L123 HydrophobicContact CG2-CD1 4.2Å; I64-L123 HydrophobicContact CG2-CD2 4.42Å; I64-L123 HydrophobicContact CG2-CG 4.48Å; H65-L123 CarbonylContact O-C 3.59Å; H65-L123 VanDerWaalsContact O-CA 3.23Å; H65-L123 WeakPolarHBondContact O-CA 3.24Å; F67-L123 HydrophobicContact CD1-CD2 3.59Å; F67-L123 HydrophobicContact CD2-CD2 4.09Å; F67-L123 HydrophobicContact CE1-CD1 4.12Å; F67-L123 HydrophobicContact CE1-CD2 3.6Å; F67-L123 HydrophobicContact CE2-CD2 4.11Å; F67-L123 HydrophobicContact CG-CD2 3.83Å; F67-L123 HydrophobicContact CZ-CD1 4.31Å; F67-L123 HydrophobicContact CZ-CD2 3.86Å; F76-L123 HydrophobicContact CE2-CD1 4.26Å; L113-L123 HydrophobicContact CD2-CD1 4Å; W118-L123 HydrophobicContact CB-CD1 4.34Å; L121-L123 HydrophobicContact CB-CD1 4.1Å; L121-L123 HydrophobicContact CB-CD2 3.9Å; L121-L123 HydrophobicContact CB-CG 3.64Å; L121-L123 HydrophobicContact CD1-CD2 4.37Å; L121-L123 PolarHBondContact O-N 3.2Å; L123-I146 HydrophobicContact CB-CD1 4.42Å; L123-I146 HydrophobicContact CB-CG2 4.11Å; L123-I146 WeakPolarHBondContact O-CA 3.44Å
124T95.9Very high95.6Very high12 Ų1247 Ų477%0.07422%0.22CC..EExtended strand (participates in β ladder)trans-132.3129.7169.3-60.50000107.8I64 H65 P147 A149I64-T124 VanDerWaalsContact CA-O 3.31Å; I64-T124 WeakPolarHBondContact CA-O 3.11Å; H65-T124 PolarHBondContact N-O 3.24Å; H65-T124 PolarHBondContact O-N 3.23Å; T124-P147 HydrophobicContact CG2-CG 4.05Å; T124-A149 HydrophobicContact CG2-CB 3.97Å
125T97.3Very high95.5Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-95.3117.3175.3-59.10000107.8L62 I64 W106 L113 P147 L148 A149L62-T125 HydrophobicContact CD1-CG2 3.69Å; I64-T125 HydrophobicContact CG1-CG2 4.36Å; W106-T125 HydrophobicContact CH2-CG2 4.11Å; W106-T125 HydrophobicContact CZ3-CG2 3.9Å; L113-T125 VanDerWaalsContact CD1-OG1 3.27Å; L113-T125 WeakPolarHBondContact CD1-OG1 3.41Å; T125-P147 PolarHBondContact N-O 3.05Å; T125-L148 HydrophobicContact CG2-CD1 3.74Å; T125-L148 CarbonylContact O-C 3.59Å; T125-L148 WeakPolarHBondContact O-CA 3.45Å; T125-A149 PolarHBondContact O-N 3.5Å
126R97.1Very high95.5Very high19 Ų1945.2 Ų45.27%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-125.7114.5-171.2176.8177-74.9-77.5-9.3112.4L3 L62 I63 H65 L128 A149 F150 G151L3-R126 VanDerWaalsContact CD2-NH2 3.32Å; L62-R126 WeakPolarHBondContact CA-O 3.49Å; L62-R126 WeakPolarHBondContact CD1-O 3.27Å; I63-R126 HydrophobicContact CG2-CB 3.97Å; I63-R126 HydrophobicContact CG2-CG 4.27Å; I63-R126 PolarHBondContact N-O 2.97Å; I63-R126 PolarHBondContact O-N 2.93Å; H65-R126 PolarHBondContact NE2-NE 3.29Å; R126-L128 HydrophobicContact CG-CD2 3.92Å; R126-A149 CarbonylContact C-O 3.52Å; R126-A149 VanDerWaalsContact CA-O 3.29Å; R126-A149 WeakPolarHBondContact CA-O 3.31Å; R126-A149 HydrophobicContact CB-CB 4.49Å; R126-F150 PolarHBondContact NH1-O 3.07Å; R126-G151 VanDerWaalsContact CD-O 3.31Å; R126-G151 WeakPolarHBondContact CD-O 3.26Å; R126-G151 PolarHBondContact NH1-O 3.18Å; R126-G151 VanDerWaalsContact NH1-O 3.1Å
127W97.8Very high95.5Very high1 Ų146.7 Ų46.70%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-76.5122.2168.1-70.9109.5000109.6M13 V61 L62 W106 Y132 M134 A149 F150 G151M13-W127 HydrophobicContact CE-CH2 4.07Å; M13-W127 HydrophobicContact CE-CZ3 4.09Å; V61-W127 HydrophobicContact CB-CZ3 4.49Å; V61-W127 HydrophobicContact CG2-CZ3 4.32Å; L62-W127 HydrophobicContact CB-CE3 3.93Å; L62-W127 HydrophobicContact CB-CH2 4.45Å; L62-W127 HydrophobicContact CB-CZ3 3.87Å; L62-W127 HydrophobicContact CD1-CD2 3.86Å; L62-W127 HydrophobicContact CD1-CE3 4.09Å; L62-W127 HydrophobicContact CD1-CG 4.23Å; L62-W127 HydrophobicContact CD1-CZ2 4.43Å; L62-W127 HydrophobicContact CD1-CZ3 4.46Å; L62-W127 HydrophobicContact CD2-CH2 4.21Å; L62-W127 HydrophobicContact CD2-CZ2 4.41Å; L62-W127 HydrophobicContact CD2-CZ3 4.44Å; L62-W127 HydrophobicContact CG-CZ3 4.49Å; W106-W127 HydrophobicContact CD2-CH2 4.46Å; W106-W127 AromaticContact CD2-CZ2 3.85Å; W106-W127 HydrophobicContact CD2-CZ2 3.85Å; W106-W127 AromaticContact CE3-CH2 3.97Å; W106-W127 HydrophobicContact CE3-CH2 3.97Å; W106-W127 AromaticContact CE3-CZ2 3.39Å; W106-W127 HydrophobicContact CE3-CZ2 3.39Å; W106-W127 AromaticContact CH2-CZ2 3.97Å; W106-W127 HydrophobicContact CH2-CZ2 3.97Å; W106-W127 AromaticContact CH2-NE1 3.84Å; W106-W127 HydrophobicContact CZ2-CZ2 4.37Å; W106-W127 AromaticContact CZ3-CE2 3.9Å; W106-W127 HydrophobicContact CZ3-CH2 4.37Å; W106-W127 AromaticContact CZ3-CZ2 3.47Å; W106-W127 HydrophobicContact CZ3-CZ2 3.47Å; W106-W127 VanDerWaalsContact CZ3-CZ2 3.47Å; W127-Y132 VanDerWaalsContact CH2-O 3.31Å; W127-Y132 WeakPolarHBondContact CH2-O 3.47Å; W127-Y132 VanDerWaalsContact CZ3-O 3.28Å; W127-Y132 WeakPolarHBondContact CZ3-O 3.47Å; W127-M134 HydrophobicContact CZ2-CB 4.15Å; W127-A149 PolarHBondContact N-O 2.89Å; W127-F150 HydrophobicContact CB-CD1 3.66Å; W127-F150 HydrophobicContact CB-CE1 3.64Å; W127-F150 AromaticContact CD1-CE1 3.66Å; W127-F150 AromaticContact CD1-CZ 3.95Å; W127-F150 HydrophobicContact CG-CD1 4.44Å; W127-F150 AromaticContact CG-CE1 3.93Å; W127-F150 HydrophobicContact CG-CE1 3.93Å; W127-F150 WeakPolarHBondContact O-CA 3.32Å; W127-G151 PolarHBondContact O-N 3.47Å
128L96.9Very high95.4Very high31 Ų3150.2 Ų50.216%0.16225%0.246CC..SBendtrans-88.4-18177.9-57.2-178.9000112.2M60 V61 I63 R126 G151 I153M60-L128 HydrophobicContact CB-CD1 4.05Å; M60-L128 HydrophobicContact CG-CD1 3.66Å; M60-L128 WeakPolarHBondContact O-CB 3.34Å; M60-L128 HydrophobicContact SD-CD1 3.68Å; V61-L128 PolarHBondContact O-N 2.84Å; I63-L128 HydrophobicContact CG2-CD1 4.15Å; I63-L128 HydrophobicContact CG2-CD2 3.88Å; I63-L128 HydrophobicContact CG2-CG 4.1Å; R126-L128 HydrophobicContact CG-CD2 3.92Å; L128-G151 WeakPolarHBondContact CD2-O 3.05Å; L128-I153 HydrophobicContact CD2-CB 4.41Å; L128-I153 HydrophobicContact CD2-CG2 3.86Å
129K96Very high95.3Very high67 Ų6752.2 Ų52.229%0.29127%0.27SS..  trans-135.9115.6-176.8-68.3-60.1-155.9113.30108.9E59 E131 Y132E59-K129 IonicContact OE1-NZ 2.76Å; E59-K129 PolarHBondContact OE1-NZ 3.33Å; K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 IonicContact NZ-OE1 3.43Å; K129-E131 PolarHBondContact O-N 2.9Å; K129-Y132 HydrophobicContact CB-CD2 3.5Å; K129-Y132 VanDerWaalsContact CB-CD2 3.5Å; K129-Y132 HydrophobicContact CB-CE2 3.95Å; K129-Y132 HydrophobicContact CG-CD2 4.35Å; K129-Y132 HydrophobicContact CG-CE2 4.37Å; K129-Y132 PolarHBondContact O-N 3.23Å
130Q92.7Very high95.2Very high148 Ų14852.2 Ų52.269%0.69227%0.269SS*.G310 helixtrans-68.1-30.4-170.6-176.2169.3-13.400112.2Y132 R133Q130-Y132 PolarHBondContact O-N 3.06Å; Q130-Y132 VanDerWaalsContact O-N 3.16Å; Q130-R133 WeakPolarHBondContact O-CB 3.44Å; Q130-R133 PolarHBondContact O-N 2.79Å
131E95.3Very high95.2Very high126 Ų12655.5 Ų55.559%0.58929%0.285SS*.G310 helixtrans-64.4-16.4179.165.6-86-156.200114K129K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 IonicContact NZ-OE1 3.43Å; K129-E131 PolarHBondContact O-N 2.9Å
132Y96.3Very high95.3Very high30 Ų3055.8 Ų55.812%0.11829%0.288CS..G310 helixtrans-101.81.1175.3-60.3-85.5000113.4Y15 T17 E59 V61 L102 W127 K129 Q130 M134Y15-Y132 AromaticContact CD1-CE1 3.51Å; Y15-Y132 HydrophobicContact CD1-CE1 3.51Å; Y15-Y132 AromaticContact CD1-CZ 3.87Å; Y15-Y132 WeakPolarHBondContact CD1-OH 3.44Å; Y15-Y132 HydrophobicContact CD2-CD1 4.12Å; Y15-Y132 AromaticContact CD2-CE1 3.78Å; Y15-Y132 HydrophobicContact CD2-CE1 3.78Å; Y15-Y132 AromaticContact CE1-CE1 3.79Å; Y15-Y132 HydrophobicContact CE1-CE1 3.79Å; Y15-Y132 HydrophobicContact CE2-CD1 4.41Å; Y15-Y132 HydrophobicContact CE2-CE1 4Å; Y15-Y132 HydrophobicContact CG-CD1 4.2Å; Y15-Y132 AromaticContact CG-CE1 3.51Å; Y15-Y132 HydrophobicContact CG-CE1 3.51Å; T17-Y132 WeakPolarHBondContact CG2-OH 3.19Å; E59-Y132 WeakPolarHBondContact OE2-CE2 3.38Å; E59-Y132 PolarHBondContact OE2-OH 2.9Å; V61-Y132 HydrophobicContact CB-CD2 3.96Å; V61-Y132 HydrophobicContact CB-CG 3.97Å; V61-Y132 HydrophobicContact CG1-CD1 4.02Å; V61-Y132 HydrophobicContact CG1-CD2 3.39Å; V61-Y132 HydrophobicContact CG1-CE1 4.11Å; V61-Y132 HydrophobicContact CG1-CE2 3.49Å; V61-Y132 VanDerWaalsContact CG1-CE2 3.49Å; V61-Y132 HydrophobicContact CG1-CG 3.64Å; L102-Y132 HydrophobicContact CD2-CD1 3.91Å; W127-Y132 VanDerWaalsContact CH2-O 3.31Å; W127-Y132 WeakPolarHBondContact CH2-O 3.47Å; W127-Y132 VanDerWaalsContact CZ3-O 3.28Å; W127-Y132 WeakPolarHBondContact CZ3-O 3.47Å; K129-Y132 HydrophobicContact CB-CD2 3.5Å; K129-Y132 VanDerWaalsContact CB-CD2 3.5Å; K129-Y132 HydrophobicContact CB-CE2 3.95Å; K129-Y132 HydrophobicContact CG-CD2 4.35Å; K129-Y132 HydrophobicContact CG-CE2 4.37Å; K129-Y132 PolarHBondContact O-N 3.23Å; Q130-Y132 PolarHBondContact O-N 3.06Å; Q130-Y132 VanDerWaalsContact O-N 3.16Å; Y132-M134 PolarHBondContact O-N 3.27Å
133R94.9Very high95.4Very high116 Ų11656 Ų5644%0.43829%0.289SS..  trans-54.3133.3-177.7177.4-172.2172.5163-6.4109.9Q130 D135 F150Q130-R133 WeakPolarHBondContact O-CB 3.44Å; Q130-R133 PolarHBondContact O-N 2.79Å; R133-D135 IonicContact CZ-OD1 3.56Å; R133-D135 VanDerWaalsContact CZ-OD1 3.31Å; R133-D135 IonicContact NE-OD1 3.12Å; R133-D135 PolarHBondContact NE-OD1 3.48Å; R133-D135 IonicContact NH2-OD1 3.45Å; R133-D135 PolarHBondContact NH2-OD1 3.47Å; R133-F150 HydrophobicContact CB-CE1 4.09Å; R133-F150 VanDerWaalsContact CD-CZ 3.44Å; R133-F150 HydrophobicContact CG-CE1 3.76Å; R133-F150 HydrophobicContact CG-CZ 3.81Å
134M96.3Very high95.3Very high47 Ų4764.4 Ų64.423%0.23233%0.333CS..  trans-126.2139.9163.9-65.3177.960.300108.2L102 Q103 W106 W127 Y132L102-M134 HydrophobicContact CG-SD 4.36Å; Q103-M134 HydrophobicContact CB-CE 4.12Å; Q103-M134 HydrophobicContact CG-CE 3.65Å; Q103-M134 HydrophobicContact CG-SD 4Å; W106-M134 HydrophobicContact CB-CE 4.09Å; W106-M134 HydrophobicContact CB-SD 3.81Å; W106-M134 HydrophobicContact CD2-CB 4.18Å; W106-M134 HydrophobicContact CG-CB 4.01Å; W106-M134 HydrophobicContact CG-CE 3.94Å; W106-M134 HydrophobicContact CG-SD 3.91Å; W106-M134 WeakPolarHBondContact CZ2-O 3.42Å; W127-M134 HydrophobicContact CZ2-CB 4.15Å; Y132-M134 PolarHBondContact O-N 3.27Å
135D94.4Very high95.2Very high97 Ų9765.2 Ų65.252%0.51934%0.336SS..PPolyproline II helixtrans-81.1159.1171-61.2-48.2000110W106 R133W106-D135 PolarHBondContact NE1-O 2.93Å; R133-D135 IonicContact CZ-OD1 3.56Å; R133-D135 VanDerWaalsContact CZ-OD1 3.31Å; R133-D135 IonicContact NE-OD1 3.12Å; R133-D135 PolarHBondContact NE-OD1 3.48Å; R133-D135 IonicContact NH2-OD1 3.45Å; R133-D135 PolarHBondContact NH2-OD1 3.47Å
136F94.4Very high95.2Very high15 Ų1565.4 Ų65.47%0.06634%0.337CS..PPolyproline II helixtrans-72138.3171.5-69.2-77.1000109.6W106 S110 L113 L140 Q141 P142 L148W106-F136 HydrophobicContact CH2-CD1 4.25Å; W106-F136 HydrophobicContact CH2-CD2 4.44Å; W106-F136 AromaticContact CH2-CE1 3.64Å; W106-F136 HydrophobicContact CH2-CE1 3.64Å; W106-F136 AromaticContact CH2-CE2 3.87Å; W106-F136 HydrophobicContact CH2-CE2 3.87Å; W106-F136 AromaticContact CH2-CZ 3.42Å; W106-F136 HydrophobicContact CH2-CZ 3.42Å; W106-F136 VanDerWaalsContact CH2-CZ 3.42Å; W106-F136 AromaticContact CZ2-CD1 3.7Å; W106-F136 HydrophobicContact CZ2-CD1 3.7Å; W106-F136 HydrophobicContact CZ2-CD2 4.1Å; W106-F136 AromaticContact CZ2-CE1 3.57Å; W106-F136 HydrophobicContact CZ2-CE1 3.57Å; W106-F136 AromaticContact CZ2-CE2 3.98Å; W106-F136 HydrophobicContact CZ2-CE2 3.98Å; W106-F136 AromaticContact CZ2-CG 3.96Å; W106-F136 HydrophobicContact CZ2-CG 3.96Å; W106-F136 AromaticContact CZ2-CZ 3.72Å; W106-F136 HydrophobicContact CZ2-CZ 3.72Å; W106-F136 HydrophobicContact CZ3-CE1 4.45Å; W106-F136 HydrophobicContact CZ3-CZ 4.36Å; S110-F136 WeakPolarHBondContact OG-CD1 3.37Å; S110-F136 WeakPolarHBondContact OG-CE1 3.34Å; L113-F136 HydrophobicContact CD1-CE1 4.09Å; L113-F136 HydrophobicContact CD1-CZ 3.92Å; F136-L140 VanDerWaalsContact CD1-O 3.31Å; F136-L140 WeakPolarHBondContact CD1-O 3.49Å; F136-Q141 HydrophobicContact CB-CG 4.38Å; F136-Q141 PolarHBondContact O-NE2 2.89Å; F136-P142 HydrophobicContact CD2-CG 4.25Å; F136-P142 HydrophobicContact CE1-CG 4.41Å; F136-P142 HydrophobicContact CE2-CG 3.76Å; F136-P142 HydrophobicContact CZ-CG 3.85Å; F136-L148 HydrophobicContact CD2-CD2 4.47Å; F136-L148 HydrophobicContact CE2-CB 4.35Å; F136-L148 HydrophobicContact CE2-CD1 4.22Å; F136-L148 HydrophobicContact CE2-CD2 4.22Å
137E93.6Very high95.1Very high112 Ų11267.5 Ų67.552%0.52335%0.353SS..PPolyproline II helixtrans-58.8146.8165.5-64.7177.2-176.700109.1G139 L140 Q141E137-G139 PolarHBondContact O-N 3.34Å; E137-G139 VanDerWaalsContact O-N 3.07Å; E137-L140 HydrophobicContact CB-CB 4.21Å; E137-L140 HydrophobicContact CB-CD1 4.21Å; E137-L140 HydrophobicContact CB-CG 4.21Å; E137-L140 HydrophobicContact CG-CD1 4.43Å; E137-L140 CarbonylContact O-C 3.27Å; E137-L140 WeakPolarHBondContact O-CA 3.32Å; E137-L140 PolarHBondContact O-N 3.02Å; E137-L140 WeakPolarHBondContact OE2-CD1 3.24Å; E137-Q141 PolarHBondContact O-N 3.49Å
138P91.5Very high94.9Very high126 Ų12670 Ų7082%0.81837%0.366SS*.G310 helixtrans-51.8-38.3-176.4-29.635.4000113.8L140P138-L140 VanDerWaalsContact C-N 3.32Å; P138-L140 PolarHBondContact O-N 2.85Å
139G92.4Very high94.8Very high52 Ų5269.4 Ų69.454%0.53637%0.366SS..G310 helixtrans-81.5-2.3177.700000115.3R114 E137R114-G139 PolarHBondContact NH1-O 3.1Å; R114-G139 PolarHBondContact NH2-O 3.19Å; R114-G139 VanDerWaalsContact NH2-O 3.12Å; E137-G139 PolarHBondContact O-N 3.34Å; E137-G139 VanDerWaalsContact O-N 3.07Å
140L95Very high94.7Very high17 Ų1770 Ų709%0.08937%0.369CS..G310 helixtrans-121.817.8-175.8-62.2-177.2000113.2R107 N111 F136 E137 P138R107-L140 HydrophobicContact CG-CD1 4.33Å; N111-L140 WeakPolarHBondContact OD1-CD2 3.31Å; F136-L140 VanDerWaalsContact CD1-O 3.31Å; F136-L140 WeakPolarHBondContact CD1-O 3.49Å; E137-L140 HydrophobicContact CB-CB 4.21Å; E137-L140 HydrophobicContact CB-CD1 4.21Å; E137-L140 HydrophobicContact CB-CG 4.21Å; E137-L140 HydrophobicContact CG-CD1 4.43Å; E137-L140 CarbonylContact O-C 3.27Å; E137-L140 WeakPolarHBondContact O-CA 3.32Å; E137-L140 PolarHBondContact O-N 3.02Å; E137-L140 WeakPolarHBondContact OE2-CD1 3.24Å; P138-L140 VanDerWaalsContact C-N 3.32Å; P138-L140 PolarHBondContact O-N 2.85Å
141Q96.3Very high94.7Very high101 Ų10164 Ų6447%0.47235%0.347SS..PPolyproline II helixtrans-60.4134.7173.2-65.6-70-11.200110.6R114 F136 E137R114-Q141 WeakPolarHBondContact CD-O 3.36Å; F136-Q141 HydrophobicContact CB-CG 4.38Å; F136-Q141 PolarHBondContact O-NE2 2.89Å; E137-Q141 PolarHBondContact O-N 3.49Å
142P96.2Very high94.5Very high18 Ų1861 Ų6112%0.11734%0.34CS..PPolyproline II helixtrans-71.7163.417433.3-36.4000110.7L113 F136 I146L113-P142 HydrophobicContact CB-CB 3.97Å; L113-P142 HydrophobicContact CD1-CB 4.21Å; F136-P142 HydrophobicContact CD2-CG 4.25Å; F136-P142 HydrophobicContact CE1-CG 4.41Å; F136-P142 HydrophobicContact CE2-CG 3.76Å; F136-P142 HydrophobicContact CZ-CG 3.85Å; P142-I146 HydrophobicContact CB-CB 4.18Å; P142-I146 HydrophobicContact CB-CG2 4.3Å
143P96.1Very high94.3Very high40 Ų4059.9 Ų59.926%0.2634%0.336SS..PPolyproline II helixtrans-52.2145.5167.5-26.435.3000112.2L113 H145 I146L113-P143 WeakPolarHBondContact O-CD 3.48Å; P143-H145 VanDerWaalsContact CB-CE1 3.44Å; P143-H145 WeakPolarHBondContact CB-CE1 3.49Å; P143-H145 WeakPolarHBondContact CB-ND1 3.5Å; P143-H145 PolarHBondContact O-N 3.35Å; P143-H145 VanDerWaalsContact O-N 3.09Å; P143-I146 HydrophobicContact CG-CD1 4.46Å; P143-I146 PolarHBondContact O-N 3.33Å
144L94.5Very high94.1Very high178 Ų17859.3 Ų59.393%0.93233%0.334SS*.THydrogen-bonded Turntrans-56.5-31.7-172.4-65.6176.8000114.4I146L144-I146 PolarHBondContact O-N 3.12Å
145H94.8Very high93.7Very high29 Ų2958.1 Ų58.113%0.13433%0.331CS..THydrogen-bonded Turntrans-73.2-6.2177.871.6-86.6000114.2S119 L121 P143 P147 V219 L231S119-H145 PolarHBondContact O-CE1 3.2Å; S119-H145 PolarHBondContact O-NE2 2.9Å; L121-H145 PolarHBondContact O-NE2 3.34Å; P143-H145 VanDerWaalsContact CB-CE1 3.44Å; P143-H145 WeakPolarHBondContact CB-CE1 3.49Å; P143-H145 WeakPolarHBondContact CB-ND1 3.5Å; P143-H145 PolarHBondContact O-N 3.35Å; P143-H145 VanDerWaalsContact O-N 3.09Å; H145-P147 WeakPolarHBondContact O-CD 3.32Å; H145-V219 HydrophobicContact CB-CG1 3.95Å; H145-V219 WeakPolarHBondContact ND1-CG1 3.43Å; H145-L231 HydrophobicContact CB-CD2 4.05Å
146I96.3Very high93.1Very high4 Ų459.2 Ų59.22%0.02133%0.328CS..SBendtrans-103.688.3174.8-56.1-176.1000108.2L113 L123 P142 P143 L144L113-I146 HydrophobicContact CD1-CG2 4.48Å; L113-I146 HydrophobicContact CD2-CG2 4.23Å; L123-I146 HydrophobicContact CB-CD1 4.42Å; L123-I146 HydrophobicContact CB-CG2 4.11Å; L123-I146 WeakPolarHBondContact O-CA 3.44Å; P142-I146 HydrophobicContact CB-CB 4.18Å; P142-I146 HydrophobicContact CB-CG2 4.3Å; P143-I146 HydrophobicContact CG-CD1 4.46Å; P143-I146 PolarHBondContact O-N 3.33Å; L144-I146 PolarHBondContact O-N 3.12Å
147P94.5Very high91.9Very high62 Ų6268.1 Ų68.140%0.40337%0.366SS..  trans-71.7150.5-176.227.8-35.2000112.3T124 T125 H145T124-P147 HydrophobicContact CG2-CG 4.05Å; T125-P147 PolarHBondContact N-O 3.05Å; H145-P147 WeakPolarHBondContact O-CD 3.32Å
148L94.8Very high90.5Very high53 Ų5367.6 Ų67.628%0.27736%0.364SS..EExtended strand (participates in β ladder)trans-91.4119.1161.9-173.563.6000109W106 T125 F136 F150W106-L148 HydrophobicContact CH2-CD1 4.15Å; T125-L148 HydrophobicContact CG2-CD1 3.74Å; T125-L148 CarbonylContact O-C 3.59Å; T125-L148 WeakPolarHBondContact O-CA 3.45Å; F136-L148 HydrophobicContact CD2-CD2 4.47Å; F136-L148 HydrophobicContact CE2-CB 4.35Å; F136-L148 HydrophobicContact CE2-CD1 4.22Å; F136-L148 HydrophobicContact CE2-CD2 4.22Å; L148-F150 HydrophobicContact CD2-CZ 4.42Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; L148-F150 HydrophobicContact CG-CZ 4.47Å
149A94.6Very high88.9Confident19 Ų1970.3 Ų70.316%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-123.9164.8-175.900000112.2T124 T125 R126 W127T124-A149 HydrophobicContact CG2-CB 3.97Å; T125-A149 PolarHBondContact O-N 3.5Å; R126-A149 CarbonylContact C-O 3.52Å; R126-A149 VanDerWaalsContact CA-O 3.29Å; R126-A149 WeakPolarHBondContact CA-O 3.31Å; R126-A149 HydrophobicContact CB-CB 4.49Å; W127-A149 PolarHBondContact N-O 2.89Å
150F94.3Very high87Confident80 Ų8073 Ų7335%0.35137%0.371SS..EExtended strand (participates in β ladder)trans-129.7152.9180-65.8-87000112.1R126 W127 R133 L148R126-F150 PolarHBondContact NH1-O 3.07Å; W127-F150 HydrophobicContact CB-CD1 3.66Å; W127-F150 HydrophobicContact CB-CE1 3.64Å; W127-F150 AromaticContact CD1-CE1 3.66Å; W127-F150 AromaticContact CD1-CZ 3.95Å; W127-F150 HydrophobicContact CG-CD1 4.44Å; W127-F150 AromaticContact CG-CE1 3.93Å; W127-F150 HydrophobicContact CG-CE1 3.93Å; W127-F150 WeakPolarHBondContact O-CA 3.32Å; R133-F150 HydrophobicContact CB-CE1 4.09Å; R133-F150 VanDerWaalsContact CD-CZ 3.44Å; R133-F150 HydrophobicContact CG-CE1 3.76Å; R133-F150 HydrophobicContact CG-CZ 3.81Å; L148-F150 HydrophobicContact CD2-CZ 4.42Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; L148-F150 HydrophobicContact CG-CZ 4.47Å
151G93.3Very high85Confident22 Ų2280.6 Ų80.623%0.22740%0.403CS..SBendtrans103.3162.2172.600000113.6R126 W127 L128R126-G151 VanDerWaalsContact CD-O 3.31Å; R126-G151 WeakPolarHBondContact CD-O 3.26Å; R126-G151 PolarHBondContact NH1-O 3.18Å; R126-G151 VanDerWaalsContact NH1-O 3.1Å; W127-G151 PolarHBondContact O-N 3.47Å; L128-G151 WeakPolarHBondContact CD2-O 3.05Å
152S91.2Very high82.3Confident64 Ų6482 Ų8245%0.44841%0.414SS..  trans-57.9153.4-175.3-53.10000112.7V2 L3V2-S152 WeakPolarHBondContact CA-O 3.23Å; L3-S152 PolarHBondContact N-O 2.81Å
153I91.1Very high79.7Confident6 Ų687 Ų873%0.03144%0.444CS..EExtended strand (participates in β ladder)trans-125138.4175.8-172.2169.1000109.8L3 V5 L8 P33 I63 H65 L128L3-I153 CarbonylContact O-C 3.58Å; L3-I153 VanDerWaalsContact O-CA 3.31Å; L3-I153 WeakPolarHBondContact O-CA 3.45Å; V5-I153 HydrophobicContact CB-CD1 4.46Å; V5-I153 HydrophobicContact CG2-CD1 3.78Å; V5-I153 HydrophobicContact CG2-CG1 3.99Å; L8-I153 HydrophobicContact CD1-CD1 3.73Å; L8-I153 HydrophobicContact CD2-CD1 4.04Å; L8-I153 HydrophobicContact CD2-CG1 4.33Å; P33-I153 HydrophobicContact CB-CG2 4.19Å; P33-I153 HydrophobicContact CG-CG2 3.9Å; I63-I153 HydrophobicContact CD1-CG2 4.27Å; I63-I153 HydrophobicContact CG2-CG2 4Å; H65-I153 HydrophobicContact CB-CD1 4.46Å; L128-I153 HydrophobicContact CD2-CB 4.41Å; L128-I153 HydrophobicContact CD2-CG2 3.86Å
154R90.1Very high77Confident104 Ų10492 Ų9239%0.39246%0.464SS..EExtended strand (participates in β ladder)trans-125.8131.7175.7-177.6175.1-70.1164.9-1.6109.8V2 L3 E4 V5 E34V2-R154 HydrophobicContact CG1-CB 4.03Å; L3-R154 PolarHBondContact O-N 3.38Å; E4-R154 WeakPolarHBondContact CA-O 3.43Å; V5-R154 PolarHBondContact N-O 2.86Å; E34-R154 IonicContact OE1-CZ 3.03Å; E34-R154 IonicContact OE1-NE 3.83Å; E34-R154 PolarHBondContact OE1-NE 3.13Å; E34-R154 IonicContact OE1-NH2 3.43Å; E34-R154 PolarHBondContact OE1-NH2 3.33Å; E34-R154 VanDerWaalsContact OE1-NH2 3.12Å; E34-R154 IonicContact OE2-NE 3.23Å; E34-R154 PolarHBondContact OE2-NE 3.37Å
155A88.1Confident74.4Confident21 Ų2191.2 Ų91.217%0.17446%0.455CS..EExtended strand (participates in β ladder)trans-79.1124.3172.700000109.5V5 L8 V31 N32V5-A155 WeakPolarHBondContact O-CA 3.23Å; L8-A155 HydrophobicContact CB-CB 4.24Å; L8-A155 HydrophobicContact CD2-CB 4.12Å; V31-A155 WeakPolarHBondContact O-CB 3.5Å; N32-A155 HydrophobicContact CB-CB 4.36Å
156R82.5Confident71.8Confident121 Ų12196.3 Ų96.346%0.45748%0.479SS..EExtended strand (participates in β ladder)trans-91.7139.4167.3-87-172.8158.7-156.72.6110.1E4 V5 E6E4-R156 HydrophobicContact CB-CG 4.15Å; E4-R156 IonicContact OE1-NE 2.66Å; E4-R156 IonicContact OE2-CZ 2.86Å; E4-R156 IonicContact OE2-NE 2.8Å; E4-R156 PolarHBondContact OE2-NE 2.86Å; E4-R156 IonicContact OE2-NH2 2.67Å; E4-R156 PolarHBondContact OE2-NH2 2.84Å; V5-R156 PolarHBondContact O-N 2.86Å; E6-R156 HydrophobicContact CG-CB 4.05Å
157K69.8Low69.2Low202 Ų202104.7 Ų104.788%0.87852%0.518SS*.PPolyproline II helixtrans-71.5131.4164.1-68.5-176.2179.9-179.60107K159K157-K159 PolarHBondContact O-N 2.94Å
158Q63.8Low66.7Low101 Ų101107.1 Ų107.147%0.47252%0.524SS..PPolyproline II helixtrans-55.6130.9165.4-75.1-177-19.700107.5E6 S7E6-Q158 HydrophobicContact CB-CG 4.28Å; S7-Q158 PolarHBondContact OG-NE2 3.32Å
159K57.8Low64.3Low182 Ų182114.3 Ų114.379%0.79156%0.556SS**PPolyproline II helixtrans-60.3142.6164-72.2-175.2177.1-176.10107K157 K161K157-K159 PolarHBondContact O-N 2.94Å; K159-K161 PolarHBondContact O-N 2.88Å; K159-K161 VanDerWaalsContact O-N 3.16Å
160P52.6Low62.7Low109 Ų109121 Ų12171%0.70858%0.582SS**PPolyproline II helixtrans-47129.4164.1-18.729.4000106.8D162P160-D162 VanDerWaalsContact C-N 3.29Å; P160-D162 PolarHBondContact O-N 2.91Å
161K52.2Low61.3Low176 Ų176120.3 Ų120.377%0.76560%0.598SS**  trans-61.1108.9161-77.2-174.5175.1-174.50103.8K159 V163K159-K161 PolarHBondContact O-N 2.88Å; K159-K161 VanDerWaalsContact O-N 3.16Å; K161-V163 VanDerWaalsContact C-N 3.33Å; K161-V163 PolarHBondContact O-N 3.16Å
162D39.5Very low60.8Low132 Ų132122.3 Ų122.371%0.70661%0.612SS**  trans-52.7113.6160.3-67.7-43.4000104P160 E164P160-D162 VanDerWaalsContact C-N 3.29Å; P160-D162 PolarHBondContact O-N 2.91Å; D162-E164 HydrophobicContact CB-CG 4.44Å; D162-E164 PolarHBondContact O-N 3.12Å
163V41.4Very low60.8Low123 Ų123121.8 Ų121.875%0.74560%0.604SS**  trans-72.975.3171.4-176.40000103.7K161 E165K161-V163 VanDerWaalsContact C-N 3.33Å; K161-V163 PolarHBondContact O-N 3.16Å; V163-E165 HydrophobicContact CG1-CG 4.05Å; V163-E165 PolarHBondContact O-N 2.86Å
164E40.6Very low61.1Low145 Ų145125.3 Ų125.368%0.67862%0.622SS**  trans-67.692.5158.6-74.3177.6171.500104.3D162 E166D162-E164 HydrophobicContact CB-CG 4.44Å; D162-E164 PolarHBondContact O-N 3.12Å; E164-E166 HydrophobicContact CB-CG 4.46Å; E164-E166 PolarHBondContact O-N 3.43Å
165E39.9Very low61.4Low160 Ų160120.3 Ų120.375%0.74860%0.603SS**  trans-62.867.9154.7-80.8-179.6174.200107.8V163 Q167V163-E165 HydrophobicContact CG1-CG 4.05Å; V163-E165 PolarHBondContact O-N 2.86Å; E165-Q167 VanDerWaalsContact C-N 3.26Å; E165-Q167 PolarHBondContact O-N 2.95Å; E165-Q167 VanDerWaalsContact O-N 3.13Å
166E39.5Very low61.8Low137 Ų137123 Ų12364%0.6461%0.614SS**  trans-77.792.8156.5-76.6-173.5164.200106.2E164 E168E164-E166 HydrophobicContact CB-CG 4.46Å; E164-E166 PolarHBondContact O-N 3.43Å; E166-E168 PolarHBondContact O-N 3.29Å
167Q41Very low62.6Low179 Ų179120.1 Ų120.184%0.83661%0.608SS**  trans-63.370.5157.8-67.2178.80.400108.5E165E165-Q167 VanDerWaalsContact C-N 3.26Å; E165-Q167 PolarHBondContact O-N 2.95Å; E165-Q167 VanDerWaalsContact O-N 3.13Å
168E43.1Very low63.9Low113 Ų113113.6 Ų113.653%0.52859%0.587SS.*  trans-80.7129.2156.2-77.6-173.7146.600107.1E166 K170E166-E168 PolarHBondContact O-N 3.29Å; E168-K170 HydrophobicContact CB-CG 4.26Å; E168-K170 PolarHBondContact O-N 3.39Å; E168-K170 WeakPolarHBondContact OE2-CE 3.35Å; E168-K170 IonicContact OE2-NZ 2.75Å; E168-K170 PolarHBondContact OE2-NZ 3.2Å
169E44.9Very low65.4Low204 Ų204115.1 Ų115.195%0.95359%0.594SS**  trans-61.965.4165.8-70.4-176.5151.400110G171E169-G171 PolarHBondContact O-N 3.28Å
170K59.6Low67.2Low160 Ų160107.8 Ų107.870%0.69657%0.57SS**  trans-74.6113170.8-84.2175.6174.3132.20106.6E168E168-K170 HydrophobicContact CB-CG 4.26Å; E168-K170 PolarHBondContact O-N 3.39Å; E168-K170 WeakPolarHBondContact OE2-CE 3.35Å; E168-K170 IonicContact OE2-NZ 2.75Å; E168-K170 PolarHBondContact OE2-NZ 3.2Å
171G65.9Low69.3Low66 Ų66107 Ų10768%0.6856%0.563SS**PPolyproline II helixtrans-46.3147.3169.500000110.9E169 D173E169-G171 PolarHBondContact O-N 3.28Å; G171-D173 PolarHBondContact O-N 3.26Å
172A82.7Confident71.4Confident64 Ų6499 Ų9953%0.52953%0.529SS..PPolyproline II helixtrans-53.8125-175.400000111.8I174 T181A172-I174 PolarHBondContact O-N 3.18Å; A172-T181 HydrophobicContact CB-CG2 3.78Å
173D91.7Very high74Confident53 Ų53100.1 Ų100.128%0.28353%0.528SS..PPolyproline II helixtrans-60.4128.2171.1-77.2-58.5000109.8G171 T181 V182 K187 T198G171-D173 PolarHBondContact O-N 3.26Å; D173-T181 CarbonylContact O-C 3.53Å; D173-T181 WeakPolarHBondContact O-CA 3.33Å; D173-V182 HydrophobicContact CB-CB 4.06Å; D173-V182 PolarHBondContact O-N 3.25Å; D173-K187 IonicContact OD1-NZ 2.73Å; D173-K187 PolarHBondContact OD1-NZ 3.33Å; D173-K187 WeakPolarHBondContact OD2-CD 3.49Å; D173-K187 VanDerWaalsContact OD2-CE 3.29Å; D173-K187 WeakPolarHBondContact OD2-CE 3.46Å; D173-K187 IonicContact OD2-NZ 3.16Å; D173-K187 PolarHBondContact OD2-NZ 2.94Å; D173-T198 HydrophobicContact CB-CG2 4.07Å
174I95.8Very high76.2Confident79 Ų7999.4 Ų99.441%0.40553%0.528SS..BIsolated β-bridgetrans-106.8134179.5-56.1-57.5000110.2A172 L176A172-I174 PolarHBondContact O-N 3.18Å; I174-L176 PolarHBondContact O-N 3.44Å
175C97.4Very high78.5Confident0 Ų096.1 Ų96.10%053%0.526CS..  trans-73.6121.1177.3-179.50000110.6L177 Q179 G180 V182 H200C175-L177 PolarHBondContact O-N 3.32Å; C175-L177 VanDerWaalsContact O-N 3.07Å; C175-Q179 WeakPolarHBondContact O-CA 3.42Å; C175-Q179 PolarHBondContact O-N 3.4Å; C175-G180 WeakPolarHBondContact CB-O 3.44Å; C175-G180 PolarHBondContact N-O 3.16Å; C175-V182 HydrophobicContact CB-CG2 3.57Å; C175-H200 VanDerWaalsContact CB-CE1 3.49Å; C175-H200 WeakPolarHBondContact CB-CE1 3.45Å; C175-H200 VanDerWaalsContact CB-ND1 3.33Å; C175-H200 WeakPolarHBondContact CB-ND1 3.48Å; C175-H200 PolarHBondContact SG-N 3.45Å; C175-H200 VanDerWaalsContact SG-N 3.37Å; C175-H200 PolarHBondContact SG-ND1 3.33Å
176L97.1Very high81Confident77 Ų7792 Ų9240%0.40351%0.509SS..THydrogen-bonded Turntrans-58.5-25.2178-175.162.8000113.6I174 Q179 M197 T198 P224I174-L176 PolarHBondContact O-N 3.44Å; L176-Q179 PolarHBondContact O-NE2 3.24Å; L176-M197 HydrophobicContact CD2-CG 3.95Å; L176-T198 WeakPolarHBondContact CB-O 3.17Å; L176-T198 PolarHBondContact N-O 3.15Å; L176-P224 HydrophobicContact CD2-CB 4.02Å; L176-P224 HydrophobicContact CD2-CG 4.19Å
177L97.4Very high83.6Confident61 Ų6188.3 Ų88.332%0.31949%0.491SS..THydrogen-bonded Turntrans-92.6-35.5-172.4-65.5171.7000114C175 C203 L204 H207 P224C175-L177 PolarHBondContact O-N 3.32Å; C175-L177 VanDerWaalsContact O-N 3.07Å; L177-C203 HydrophobicContact CB-CB 4.02Å; L177-C203 VanDerWaalsContact CD1-C 3.43Å; L177-C203 HydrophobicContact CD1-CB 3.79Å; L177-C203 WeakPolarHBondContact CD1-O 3.41Å; L177-L204 HydrophobicContact CD1-CB 4.42Å; L177-L204 HydrophobicContact CD1-CD1 4.35Å; L177-H207 HydrophobicContact CD1-CB 3.96Å; L177-H207 HydrophobicContact CD2-CB 4.42Å; L177-P224 HydrophobicContact CD2-CB 4Å; L177-P224 HydrophobicContact CD2-CG 4.07Å; L177-P224 HydrophobicContact CG-CG 4.4Å
178C97.3Very high86.3Confident65 Ų6579.8 Ų79.844%0.43945%0.451SS..THydrogen-bonded Turntrans-121.7-2.2-177.772.30000113.9G180 H200C178-G180 PolarHBondContact O-N 3.33Å; C178-G180 PolarHBondContact SG-N 3.35Å; C178-H200 PolarHBondContact SG-CE1 3.37Å; C178-H200 PolarHBondContact SG-ND1 3.41Å
179Q96.6Very high88.8Confident133 Ų13376.4 Ų76.462%0.62144%0.438SS*.  trans60.510.4-177.6-53-61.3-21.300115C175 L176C175-Q179 WeakPolarHBondContact O-CA 3.42Å; C175-Q179 PolarHBondContact O-N 3.4Å; L176-Q179 PolarHBondContact O-NE2 3.24Å
180G95.9Very high91.2Very high27 Ų2767.1 Ų67.128%0.27840%0.395SS..  trans-86.1157.417500000113C175 C178C175-G180 WeakPolarHBondContact CB-O 3.44Å; C175-G180 PolarHBondContact N-O 3.16Å; C178-G180 PolarHBondContact O-N 3.33Å; C178-G180 PolarHBondContact SG-N 3.35Å
181T96.6Very high92.7Very high92 Ų9260.8 Ų60.856%0.56437%0.368SS*.BIsolated β-bridgetrans-65.4137.2175.7-53.70000112.2A172 D173 H200A172-T181 HydrophobicContact CB-CG2 3.78Å; D173-T181 CarbonylContact O-C 3.53Å; D173-T181 WeakPolarHBondContact O-CA 3.33Å; T181-H200 PolarHBondContact O-NE2 2.99Å
182V95.8Very high94Very high8 Ų860.1 Ų60.15%0.04835%0.347CS..  trans-106.7124.9-175.4-174.80000110.1D173 C175 K187 T198D173-V182 HydrophobicContact CB-CB 4.06Å; D173-V182 PolarHBondContact O-N 3.25Å; C175-V182 HydrophobicContact CB-CG2 3.57Å; V182-K187 VanDerWaalsContact CG1-CA 3.45Å; V182-K187 HydrophobicContact CG1-CB 3.75Å; V182-K187 HydrophobicContact CG1-CG 4.14Å; V182-T198 HydrophobicContact CG2-CG2 4.37Å
183K93.4Very high94.4Very high157 Ų15762.5 Ų62.568%0.68336%0.357SS*.  trans-80.3149.3171.7-62.5-179.6-178.7179.60110.1A185 D186 K187K183-A185 PolarHBondContact O-N 2.73Å; K183-A185 VanDerWaalsContact O-N 3.15Å; K183-D186 CarbonylContact O-C 3.51Å; K183-D186 PolarHBondContact O-N 3.18Å; K183-K187 PolarHBondContact O-N 3.19Å
184S88.6Confident94.4Very high107 Ų10767.9 Ų67.975%0.74839%0.385SS*.THydrogen-bonded Turntrans-53.3-39.3-179.7-48.10000113.5D186 K187S184-D186 VanDerWaalsContact C-N 3.27Å; S184-D186 PolarHBondContact O-N 3.28Å; S184-K187 PolarHBondContact O-N 2.94Å
185A88.8Confident94.4Very high77 Ų7764.8 Ų64.864%0.63637%0.37SS*.THydrogen-bonded Turntrans-63.3-31.9177.700000113.1K183 K239K183-A185 PolarHBondContact O-N 2.73Å; K183-A185 VanDerWaalsContact O-N 3.15Å; A185-K239 WeakPolarHBondContact O-CE 3.41Å; A185-K239 PolarHBondContact O-NZ 3.27Å
186D92.1Very high94.2Very high74 Ų7472.9 Ų72.940%0.39641%0.408SS..THydrogen-bonded Turntrans-99.6-8.6-176.8-63.3-34.9000112.9K183 S184 M188 H200 L201K183-D186 CarbonylContact O-C 3.51Å; K183-D186 PolarHBondContact O-N 3.18Å; S184-D186 VanDerWaalsContact C-N 3.27Å; S184-D186 PolarHBondContact O-N 3.28Å; D186-M188 PolarHBondContact O-N 2.88Å; D186-H200 CarbonylContact O-C 3.54Å; D186-L201 PolarHBondContact O-N 2.79Å
187K95.1Very high94.1Very high59 Ų5969.6 Ų69.626%0.25739%0.39SS..EExtended strand (participates in β ladder)trans-63.2127.5-177.3-171177.2-176.4167.60112.6D173 V182 K183 S184 T189 T198 K239D173-K187 IonicContact OD1-NZ 2.73Å; D173-K187 PolarHBondContact OD1-NZ 3.33Å; D173-K187 WeakPolarHBondContact OD2-CD 3.49Å; D173-K187 VanDerWaalsContact OD2-CE 3.29Å; D173-K187 WeakPolarHBondContact OD2-CE 3.46Å; D173-K187 IonicContact OD2-NZ 3.16Å; D173-K187 PolarHBondContact OD2-NZ 2.94Å; V182-K187 VanDerWaalsContact CG1-CA 3.45Å; V182-K187 HydrophobicContact CG1-CB 3.75Å; V182-K187 HydrophobicContact CG1-CG 4.14Å; K183-K187 PolarHBondContact O-N 3.19Å; S184-K187 PolarHBondContact O-N 2.94Å; K187-T189 HydrophobicContact CD-CG2 4.41Å; K187-T189 HydrophobicContact CG-CG2 4.29Å; K187-T198 HydrophobicContact CD-CG2 4.47Å; K187-T198 HydrophobicContact CG-CG2 4.06Å; K187-K239 PolarHBondContact O-NZ 3.43Å
188M96.1Very high94.1Very high0 Ų067.7 Ų67.70%038%0.381CS..EExtended strand (participates in β ladder)trans-117.2135.9167.4-66-59.2-68.500109.3D186 T198 S199 L201 L204 L235 I236 K239D186-M188 PolarHBondContact O-N 2.88Å; M188-T198 WeakPolarHBondContact O-CA 3.33Å; M188-S199 PolarHBondContact N-O 3.19Å; M188-S199 PolarHBondContact O-N 3.36Å; M188-L201 VanDerWaalsContact CG-CA 3.48Å; M188-L201 HydrophobicContact CG-CB 3.82Å; M188-L201 HydrophobicContact CG-CG 4.33Å; M188-L201 HydrophobicContact SD-CB 4.25Å; M188-L201 HydrophobicContact SD-CD1 3.9Å; M188-L201 HydrophobicContact SD-CG 4.28Å; M188-L204 HydrophobicContact CB-CD2 3.99Å; M188-L204 HydrophobicContact CG-CD2 4.4Å; M188-L235 HydrophobicContact CE-CB 3.71Å; M188-I236 HydrophobicContact CE-CD1 3.97Å; M188-I236 HydrophobicContact SD-CD1 4.35Å; M188-K239 HydrophobicContact CE-CB 4.38Å; M188-K239 HydrophobicContact SD-CB 4Å; M188-K239 HydrophobicContact SD-CD 3.61Å; M188-K239 HydrophobicContact SD-CG 3.91Å
189T95.8Very high94.1Very high42 Ų4264.6 Ų64.626%0.25836%0.36SS..EExtended strand (participates in β ladder)trans-126.1149174.953.60000110.6K187 M197 L235 H238K187-T189 HydrophobicContact CD-CG2 4.41Å; K187-T189 HydrophobicContact CG-CG2 4.29Å; T189-M197 WeakPolarHBondContact CA-O 3.29Å; T189-L235 WeakPolarHBondContact O-CD2 3.41Å; T189-H238 PolarHBondContact O-ND1 2.81Å; T189-H238 PolarHBondContact OG1-CE1 2.93Å; T189-H238 PolarHBondContact OG1-ND1 3.02Å
190C94.9Very high94.2Very high8 Ų860 Ų605%0.05434%0.339CS..  trans-68.8144.9170.7-166.70000109.9H192 C195 M197C190-H192 VanDerWaalsContact SG-CD2 3.53Å; C190-H192 PolarHBondContact SG-N 3.43Å; C190-C195 HydrophobicContact CB-CB 3.76Å; C190-C195 WeakPolarHBondContact CB-SG 3.15Å; C190-M197 HydrophobicContact CB-CB 4.24Å; C190-M197 HydrophobicContact CB-CE 4.11Å; C190-M197 PolarHBondContact N-O 3.05Å
191F92.9Very high94.2Very high27 Ų2761.1 Ų61.112%0.11834%0.338CS..  trans-89.6-2.8174.353.3-111.4000113.1V230 L235 H238 Y243F191-V230 HydrophobicContact CE1-CB 4Å; F191-V230 HydrophobicContact CE1-CG1 4.03Å; F191-V230 HydrophobicContact CE2-CG1 3.97Å; F191-V230 HydrophobicContact CZ-CB 3.7Å; F191-V230 HydrophobicContact CZ-CG1 3.44Å; F191-V230 VanDerWaalsContact CZ-CG1 3.44Å; F191-L235 HydrophobicContact CD1-CD2 3.8Å; F191-L235 HydrophobicContact CD1-CG 4.34Å; F191-L235 HydrophobicContact CE1-CD2 3.89Å; F191-L235 HydrophobicContact CE1-CG 4.04Å; F191-H238 HydrophobicContact CB-CB 4.33Å; F191-H238 HydrophobicContact CD1-CB 4.47Å; F191-Y243 HydrophobicContact CB-CD1 3.96Å; F191-Y243 HydrophobicContact CB-CE1 3.61Å; F191-Y243 HydrophobicContact CD1-CD2 4.45Å; F191-Y243 HydrophobicContact CD1-CE1 4.39Å; F191-Y243 AromaticContact CD1-CE2 3.9Å; F191-Y243 HydrophobicContact CD1-CE2 3.9Å; F191-Y243 AromaticContact CD1-CZ 3.85Å; F191-Y243 AromaticContact CD2-CE1 3.96Å; F191-Y243 HydrophobicContact CD2-CE1 3.96Å; F191-Y243 HydrophobicContact CD2-CE2 4.47Å; F191-Y243 AromaticContact CD2-CZ 3.63Å; F191-Y243 WeakPolarHBondContact CD2-OH 3.3Å; F191-Y243 HydrophobicContact CE1-CE2 4.2Å; F191-Y243 VanDerWaalsContact CE2-OH 3.29Å; F191-Y243 WeakPolarHBondContact CE2-OH 3.25Å; F191-Y243 HydrophobicContact CG-CD1 4.43Å; F191-Y243 AromaticContact CG-CE1 3.73Å; F191-Y243 HydrophobicContact CG-CE1 3.73Å; F191-Y243 HydrophobicContact CG-CE2 4.06Å; F191-Y243 AromaticContact CG-CZ 3.52Å
192H92.8Very high94.2Very high52 Ų5261.8 Ų61.824%0.24134%0.337CS..SBendtrans-74.3128175.7-71.2-54.2000110.2C190 L194 C195 H228C190-H192 VanDerWaalsContact SG-CD2 3.53Å; C190-H192 PolarHBondContact SG-N 3.43Å; H192-L194 PolarHBondContact O-N 3.13Å; H192-C195 HydrophobicContact CB-CB 4.02Å; H192-C195 WeakPolarHBondContact O-CB 3.38Å; H192-C195 PolarHBondContact O-N 3.49Å; H192-H228 VanDerWaalsContact NE2-CB 3.31Å; H192-H228 WeakPolarHBondContact NE2-CB 3.41Å; H192-H228 AromaticContact NE2-CG 3.91Å
193P89.5Confident94.3Very high114 Ų11462.8 Ų62.874%0.7434%0.344SS*.THydrogen-bonded Turntrans-56.6-31.4-168.8-29.434.8000115.7
194L92.6Very high94.5Very high166 Ų16655.3 Ų55.387%0.86931%0.312SS*.THydrogen-bonded Turntrans-95.55.6-178.5-57179.5000113.2H192H192-L194 PolarHBondContact O-N 3.13Å
195C95.3Very high94.8Very high15 Ų1550.9 Ų50.910%0.10128%0.281CS..  trans-105.7120.1-177.3-171.50000111.4C190 H192 M197 C223 C226C190-C195 HydrophobicContact CB-CB 3.76Å; C190-C195 WeakPolarHBondContact CB-SG 3.15Å; H192-C195 HydrophobicContact CB-CB 4.02Å; H192-C195 WeakPolarHBondContact O-CB 3.38Å; H192-C195 PolarHBondContact O-N 3.49Å; C195-M197 VanDerWaalsContact SG-CB 3.54Å; C195-C223 VanDerWaalsContact SG-SG 3.63Å; C195-C226 HydrophobicContact CB-CB 3.81Å; C195-C226 VanDerWaalsContact SG-CB 3.6Å; C195-C226 VanDerWaalsContact SG-SG 3.68Å
196H93.9Very high95.2Very high170 Ų17054.1 Ų54.179%0.78728%0.281SS*.  trans-99.521.1176.6-55.9-58.8000113.2T198H196-T198 PolarHBondContact O-N 3.45Å
197M95.7Very high95.4Very high8 Ų853.7 Ų53.74%0.03928%0.277CS..  trans-59.2124.4179.6-176.9-80.3-65.400110.3L176 T189 C190 C195 S199 L204 P224L176-M197 HydrophobicContact CD2-CG 3.95Å; T189-M197 WeakPolarHBondContact CA-O 3.29Å; C190-M197 HydrophobicContact CB-CB 4.24Å; C190-M197 HydrophobicContact CB-CE 4.11Å; C190-M197 PolarHBondContact N-O 3.05Å; C195-M197 VanDerWaalsContact SG-CB 3.54Å; M197-S199 PolarHBondContact SD-OG 3.36Å; M197-S199 VanDerWaalsContact SD-OG 3.34Å; M197-L204 HydrophobicContact CE-CD1 4.3Å; M197-L204 HydrophobicContact CE-CD2 4.01Å; M197-P224 HydrophobicContact CG-CG 3.85Å; M197-P224 HydrophobicContact SD-CG 4.26Å
198T96.8Very high95.5Very high21 Ų2151.6 Ų51.613%0.12927%0.268CS..EExtended strand (participates in β ladder)trans-122.8134.6171.3-63.50000109.6D173 L176 V182 K187 M188 H196D173-T198 HydrophobicContact CB-CG2 4.07Å; L176-T198 WeakPolarHBondContact CB-O 3.17Å; L176-T198 PolarHBondContact N-O 3.15Å; V182-T198 HydrophobicContact CG2-CG2 4.37Å; K187-T198 HydrophobicContact CD-CG2 4.47Å; K187-T198 HydrophobicContact CG-CG2 4.06Å; M188-T198 WeakPolarHBondContact O-CA 3.33Å; H196-T198 PolarHBondContact O-N 3.45Å
199S97.7Very high95.5Very high0 Ų052.7 Ų52.70%027%0.273CS..EExtended strand (participates in β ladder)trans-151.3162.8177.756.60000112.1M188 M197M188-S199 PolarHBondContact N-O 3.19Å; M188-S199 PolarHBondContact O-N 3.36Å; M197-S199 PolarHBondContact SD-OG 3.36Å; M197-S199 VanDerWaalsContact SD-OG 3.34Å
200H97.8Very high95.4Very high36 Ų3656 Ų5617%0.16729%0.294CS..EExtended strand (participates in β ladder)trans-68.7143.8162.9-56.1103.5000110C175 C178 T181 D186 I202 C203 L204C175-H200 VanDerWaalsContact CB-CE1 3.49Å; C175-H200 WeakPolarHBondContact CB-CE1 3.45Å; C175-H200 VanDerWaalsContact CB-ND1 3.33Å; C175-H200 WeakPolarHBondContact CB-ND1 3.48Å; C175-H200 PolarHBondContact SG-N 3.45Å; C175-H200 VanDerWaalsContact SG-N 3.37Å; C175-H200 PolarHBondContact SG-ND1 3.33Å; C178-H200 PolarHBondContact SG-CE1 3.37Å; C178-H200 PolarHBondContact SG-ND1 3.41Å; T181-H200 PolarHBondContact O-NE2 2.99Å; D186-H200 CarbonylContact O-C 3.54Å; H200-I202 VanDerWaalsContact C-N 3.28Å; H200-I202 PolarHBondContact O-N 2.76Å; H200-C203 HydrophobicContact CB-CB 4.04Å; H200-C203 PolarHBondContact O-N 3.15Å; H200-C203 VanDerWaalsContact O-N 3.12Å; H200-L204 PolarHBondContact O-N 3.41Å
201L96.2Very high95.1Very high50 Ų5059.5 Ų59.526%0.26233%0.331SS..Hα-helixtrans-51.2-46174.9-178.7142.9000112.8D186 M188 A205 W232 I236 K239D186-L201 PolarHBondContact O-N 2.79Å; M188-L201 VanDerWaalsContact CG-CA 3.48Å; M188-L201 HydrophobicContact CG-CB 3.82Å; M188-L201 HydrophobicContact CG-CG 4.33Å; M188-L201 HydrophobicContact SD-CB 4.25Å; M188-L201 HydrophobicContact SD-CD1 3.9Å; M188-L201 HydrophobicContact SD-CG 4.28Å; L201-A205 WeakPolarHBondContact O-CB 3.38Å; L201-A205 PolarHBondContact O-N 2.97Å; L201-W232 HydrophobicContact CG-CH2 4.22Å; L201-W232 HydrophobicContact CG-CZ2 4.35Å; L201-I236 HydrophobicContact CD1-CD1 3.92Å; L201-K239 HydrophobicContact CD1-CD 4.34Å
202I96.4Very high94.9Very high106 Ų10661.9 Ų61.954%0.54434%0.343SS..Hα-helixtrans-71.6-37.7-178.8-61.3175.9000111.3H200 A205 K206H200-I202 VanDerWaalsContact C-N 3.28Å; H200-I202 PolarHBondContact O-N 2.76Å; I202-A205 PolarHBondContact O-N 2.83Å; I202-K206 HydrophobicContact CG2-CD 4.2Å; I202-K206 HydrophobicContact CG2-CG 4.41Å; I202-K206 WeakPolarHBondContact O-CB 3.38Å; I202-K206 WeakPolarHBondContact O-CG 3.42Å; I202-K206 PolarHBondContact O-N 2.84Å
203C97.4Very high94.4Very high30 Ų3064.3 Ų64.320%0.20337%0.372CS..Hα-helixtrans-62.3-47.2176.6-70.50000110.7L177 H200 K206 H207L177-C203 HydrophobicContact CB-CB 4.02Å; L177-C203 VanDerWaalsContact CD1-C 3.43Å; L177-C203 HydrophobicContact CD1-CB 3.79Å; L177-C203 WeakPolarHBondContact CD1-O 3.41Å; H200-C203 HydrophobicContact CB-CB 4.04Å; H200-C203 PolarHBondContact O-N 3.15Å; H200-C203 VanDerWaalsContact O-N 3.12Å; C203-K206 PolarHBondContact O-N 2.63Å; C203-H207 WeakPolarHBondContact O-CB 3.49Å; C203-H207 PolarHBondContact O-N 3.48Å
204L97.4Very high94.3Very high0 Ų063.4 Ų63.40%037%0.374CS..Hα-helixtrans-65.3-41.3178.6-168.762000112L177 M188 M197 H200 K206 H207 F208 P224 W232 L235L177-L204 HydrophobicContact CD1-CB 4.42Å; L177-L204 HydrophobicContact CD1-CD1 4.35Å; M188-L204 HydrophobicContact CB-CD2 3.99Å; M188-L204 HydrophobicContact CG-CD2 4.4Å; M197-L204 HydrophobicContact CE-CD1 4.3Å; M197-L204 HydrophobicContact CE-CD2 4.01Å; H200-L204 PolarHBondContact O-N 3.41Å; L204-K206 PolarHBondContact O-N 2.76Å; L204-H207 WeakPolarHBondContact O-CB 3.36Å; L204-H207 PolarHBondContact O-N 2.95Å; L204-F208 HydrophobicContact CD1-CD1 4.15Å; L204-F208 HydrophobicContact CD1-CE1 3.56Å; L204-F208 HydrophobicContact CD1-CZ 3.97Å; L204-F208 HydrophobicContact CG-CD1 4.47Å; L204-F208 HydrophobicContact CG-CE1 4.1Å; L204-F208 HydrophobicContact CG-CZ 4.18Å; L204-F208 PolarHBondContact O-N 3.44Å; L204-P224 HydrophobicContact CD1-CG 4.08Å; L204-W232 HydrophobicContact CB-CZ3 4.33Å; L204-W232 HydrophobicContact CD2-CZ3 4.19Å; L204-W232 HydrophobicContact CG-CZ3 4.13Å; L204-L235 HydrophobicContact CD2-CD1 3.88Å
205A96.8Very high94.2Very high13 Ų1358.7 Ų58.711%0.10735%0.347CS..Hα-helixtrans-59.8-46.7175.800000111.8L201 I202 H207 F208 L209 P218 W232L201-A205 WeakPolarHBondContact O-CB 3.38Å; L201-A205 PolarHBondContact O-N 2.97Å; I202-A205 PolarHBondContact O-N 2.83Å; A205-H207 VanDerWaalsContact C-N 3.31Å; A205-H207 PolarHBondContact O-N 2.93Å; A205-F208 PolarHBondContact O-N 2.94Å; A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 WeakPolarHBondContact O-CD1 3.31Å; A205-L209 VanDerWaalsContact O-CG 3.26Å; A205-L209 WeakPolarHBondContact O-CG 3.29Å; A205-L209 PolarHBondContact O-N 3.06Å; A205-P218 HydrophobicContact CB-CG 3.86Å; A205-W232 HydrophobicContact CB-CH2 3.66Å; A205-W232 HydrophobicContact CB-CZ2 4.07Å; A205-W232 HydrophobicContact CB-CZ3 4.19Å
206K96.4Very high93.9Very high146 Ų14665.6 Ų65.664%0.63538%0.382SS*.Hα-helixtrans-60.9-40.8176-75.4178.7179.9-177.20111.9I202 C203 L204 L209 T210I202-K206 HydrophobicContact CG2-CD 4.2Å; I202-K206 HydrophobicContact CG2-CG 4.41Å; I202-K206 WeakPolarHBondContact O-CB 3.38Å; I202-K206 WeakPolarHBondContact O-CG 3.42Å; I202-K206 PolarHBondContact O-N 2.84Å; C203-K206 PolarHBondContact O-N 2.63Å; L204-K206 PolarHBondContact O-N 2.76Å; K206-L209 CarbonylContact O-C 3.58Å; K206-L209 PolarHBondContact O-N 3.14Å; K206-T210 PolarHBondContact O-N 2.9Å
207H96.5Very high93.9Very high64 Ų6460.9 Ų60.930%0.29636%0.362SS..Hα-helixtrans-60.1-47.1176.5-177.862.2000111.6L177 C203 L204 A205 L209 T210L177-H207 HydrophobicContact CD1-CB 3.96Å; L177-H207 HydrophobicContact CD2-CB 4.42Å; C203-H207 WeakPolarHBondContact O-CB 3.49Å; C203-H207 PolarHBondContact O-N 3.48Å; L204-H207 WeakPolarHBondContact O-CB 3.36Å; L204-H207 PolarHBondContact O-N 2.95Å; A205-H207 VanDerWaalsContact C-N 3.31Å; A205-H207 PolarHBondContact O-N 2.93Å; H207-L209 VanDerWaalsContact C-N 3.27Å; H207-L209 PolarHBondContact O-N 3.01Å; H207-T210 WeakPolarHBondContact O-CB 3.47Å; H207-T210 PolarHBondContact O-N 2.91Å; H207-T210 PolarHBondContact O-OG1 2.95Å
208F96.6Very high93.9Very high16 Ų1660.6 Ų60.67%0.0736%0.361CS..Hα-helixtrans-69.5-24.2178.5-72.911.7000113.2L204 A205 T210 P218 E222 V230 W232 L235L204-F208 HydrophobicContact CD1-CD1 4.15Å; L204-F208 HydrophobicContact CD1-CE1 3.56Å; L204-F208 HydrophobicContact CD1-CZ 3.97Å; L204-F208 HydrophobicContact CG-CD1 4.47Å; L204-F208 HydrophobicContact CG-CE1 4.1Å; L204-F208 HydrophobicContact CG-CZ 4.18Å; L204-F208 PolarHBondContact O-N 3.44Å; A205-F208 PolarHBondContact O-N 2.94Å; F208-T210 VanDerWaalsContact C-N 3.28Å; F208-P218 HydrophobicContact CB-CB 3.64Å; F208-P218 HydrophobicContact CB-CG 4.04Å; F208-P218 HydrophobicContact CD2-CB 4.09Å; F208-P218 HydrophobicContact CG-CB 4.39Å; F208-E222 VanDerWaalsContact CE1-O 3.25Å; F208-E222 WeakPolarHBondContact CE1-O 3.46Å; F208-V230 HydrophobicContact CE2-CG2 3.81Å; F208-V230 HydrophobicContact CZ-CG2 3.52Å; F208-W232 AromaticContact CD2-CE3 3.93Å; F208-W232 HydrophobicContact CD2-CE3 3.93Å; F208-W232 HydrophobicContact CE2-CE3 4.17Å; F208-L235 HydrophobicContact CE2-CD1 3.71Å; F208-L235 HydrophobicContact CZ-CD1 3.95Å
209L96.2Very high93.8Very high22 Ų2260.8 Ų60.812%0.11536%0.362CS..THydrogen-bonded Turntrans-88.310.1176.5-69.9165.1000113.2A205 K206 H207 G211 E212 H215 P218A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 WeakPolarHBondContact O-CD1 3.31Å; A205-L209 VanDerWaalsContact O-CG 3.26Å; A205-L209 WeakPolarHBondContact O-CG 3.29Å; A205-L209 PolarHBondContact O-N 3.06Å; K206-L209 CarbonylContact O-C 3.58Å; K206-L209 PolarHBondContact O-N 3.14Å; H207-L209 VanDerWaalsContact C-N 3.27Å; H207-L209 PolarHBondContact O-N 3.01Å; L209-G211 PolarHBondContact O-N 3.48Å; L209-G211 VanDerWaalsContact O-N 3.13Å; L209-E212 HydrophobicContact CD2-CB 4.09Å; L209-E212 CarbonylContact O-C 3.53Å; L209-E212 WeakPolarHBondContact O-CA 3.28Å; L209-E212 PolarHBondContact O-N 3.34Å; L209-H215 WeakPolarHBondContact CD1-O 3.46Å; L209-H215 HydrophobicContact CD2-CB 3.83Å; L209-P218 HydrophobicContact CD1-CG 4.11Å; L209-P218 HydrophobicContact CD2-CB 4.49Å; L209-P218 HydrophobicContact CG-CB 4.32Å; L209-P218 HydrophobicContact CG-CG 3.96Å
210T93.9Very high93.7Very high112 Ų11266 Ų6669%0.68739%0.386SS*.THydrogen-bonded Turntrans-61.6117.2174.7-54.80000109.1K206 H207 F208K206-T210 PolarHBondContact O-N 2.9Å; H207-T210 WeakPolarHBondContact O-CB 3.47Å; H207-T210 PolarHBondContact O-N 2.91Å; H207-T210 PolarHBondContact O-OG1 2.95Å; F208-T210 VanDerWaalsContact C-N 3.28Å
211G87.9Confident93.6Very high82 Ų8265 Ų6585%0.84539%0.386SS*.THydrogen-bonded Turntrans91.7-7.2-172.800000115L209L209-G211 PolarHBondContact O-N 3.48Å; L209-G211 VanDerWaalsContact O-N 3.13Å
212E90.1Very high93.7Very high76 Ų7667.8 Ų67.836%0.35540%0.398SS..  trans-121.843.1179.9-71.3-173.4-143.900112R120 L209 A214 H215R120-E212 IonicContact CZ-OE2 2.9Å; R120-E212 IonicContact NH1-OE2 3.91Å; R120-E212 PolarHBondContact NH1-OE2 2.93Å; R120-E212 IonicContact NH2-OE2 2.79Å; R120-E212 PolarHBondContact NH2-OE2 3.18Å; L209-E212 HydrophobicContact CD2-CB 4.09Å; L209-E212 CarbonylContact O-C 3.53Å; L209-E212 WeakPolarHBondContact O-CA 3.28Å; L209-E212 PolarHBondContact O-N 3.34Å; E212-A214 PolarHBondContact O-N 2.87Å; E212-H215 PolarHBondContact O-N 3.38Å; E212-H215 IonicContact OE2-CD2 3.38Å; E212-H215 PolarHBondContact OE2-CD2 2.92Å
213A81.1Confident93.7Very high103 Ų10362.8 Ų62.885%0.85137%0.372SS*.THydrogen-bonded Turntrans-59.1-19.9-172.100000115H215A213-H215 PolarHBondContact O-N 3.15Å
214A88.2Confident93.7Very high95 Ų9562.6 Ų62.679%0.78537%0.37SS*.THydrogen-bonded Turntrans-76.4-6.3175.500000113.7E212E212-A214 PolarHBondContact O-N 2.87Å
215H90.5Very high93.6Very high68 Ų6864.6 Ų64.632%0.31539%0.392SS..  trans-112.4146.1-175.7-62.4-35.9000111.9R120 L209 E212 A213R120-H215 PolarHBondContact NH1-CD2 2.76Å; R120-H215 VanDerWaalsContact NH1-CD2 3.26Å; L209-H215 WeakPolarHBondContact CD1-O 3.46Å; L209-H215 HydrophobicContact CD2-CB 3.83Å; E212-H215 PolarHBondContact O-N 3.38Å; E212-H215 IonicContact OE2-CD2 3.38Å; E212-H215 PolarHBondContact OE2-CD2 2.92Å; A213-H215 PolarHBondContact O-N 3.15Å
216L89.4Confident93.6Very high159 Ų15965.6 Ų65.683%0.83240%0.397SS*.SBendtrans-103.1-21.3-179.8-63.3177.3000113.3
217L93.2Very high93.7Very high71 Ų7166.3 Ų66.337%0.37240%0.396SS..SBendtrans-118.5118.5-176.5-66.8177.2000108.6R120 L121R120-L217 PolarHBondContact NE-O 3.38Å; R120-L217 PolarHBondContact NH2-O 2.81Å; L121-L217 HydrophobicContact CD2-CD1 4.04Å
218P95.4Very high93.6Very high2 Ų268.3 Ų68.31%0.01341%0.405CS..  trans-65.3150.4170.1-9.121.6000110.8A205 F208 L209 W232A205-P218 HydrophobicContact CB-CG 3.86Å; F208-P218 HydrophobicContact CB-CB 3.64Å; F208-P218 HydrophobicContact CB-CG 4.04Å; F208-P218 HydrophobicContact CD2-CB 4.09Å; F208-P218 HydrophobicContact CG-CB 4.39Å; L209-P218 HydrophobicContact CD1-CG 4.11Å; L209-P218 HydrophobicContact CD2-CB 4.49Å; L209-P218 HydrophobicContact CG-CB 4.32Å; L209-P218 HydrophobicContact CG-CG 3.96Å; P218-W232 HydrophobicContact CB-CB 4.1Å; P218-W232 HydrophobicContact CB-CD2 4.04Å; P218-W232 HydrophobicContact CB-CE3 4.17Å; P218-W232 HydrophobicContact CB-CG 4.01Å; P218-W232 HydrophobicContact CG-CD2 3.76Å; P218-W232 HydrophobicContact CG-CE3 3.85Å; P218-W232 HydrophobicContact CG-CG 4.16Å; P218-W232 HydrophobicContact CG-CZ2 4.44Å; P218-W232 HydrophobicContact CG-CZ3 4.24Å; P218-W232 VanDerWaalsContact O-CB 3.24Å; P218-W232 WeakPolarHBondContact O-CB 3.35Å; P218-W232 VanDerWaalsContact O-CD1 3.25Å
219V95.3Very high93.6Very high25 Ų2571.4 Ų71.415%0.15243%0.429CS..SBendtrans-97.9-48170166.10000109.7R120 H145 W232R120-V219 HydrophobicContact CB-CG2 3.86Å; R120-V219 HydrophobicContact CG-CG2 3.72Å; H145-V219 HydrophobicContact CB-CG1 3.95Å; H145-V219 WeakPolarHBondContact ND1-CG1 3.43Å; V219-W232 WeakPolarHBondContact O-CB 3.25Å; V219-W232 PolarHBondContact O-N 3.13Å
220E95.4Very high93.6Very high109 Ų10970.6 Ų70.651%0.50943%0.425SS..EExtended strand (participates in β ladder)trans-149.5172.2179.665.9-173.3-16700110.1V230 L231E220-V230 VanDerWaalsContact CA-O 3.26Å; E220-V230 WeakPolarHBondContact CA-O 3.49Å; E220-L231 HydrophobicContact CB-CD2 3.92Å
221G95.5Very high93.7Very high15 Ų1568.2 Ų68.216%0.15541%0.407CS..EExtended strand (participates in β ladder)trans179170.4172.400000111.5V230G221-V230 PolarHBondContact N-O 3.48Å; G221-V230 WeakPolarHBondContact O-CG2 3.4Å; G221-V230 PolarHBondContact O-N 3.1Å
222E97.1Very high94Very high109 Ų10965.4 Ų65.451%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-85.9129.7177.3-67.2-174.7171.700111.1F208F208-E222 VanDerWaalsContact CE1-O 3.25Å; F208-E222 WeakPolarHBondContact CE1-O 3.46Å
223C97.5Very high94.2Very high1 Ų162.2 Ų62.21%0.00736%0.359CS..  trans-60.4126.4174.7178.60000110.4C195 G225 C226 R227 H228C195-C223 VanDerWaalsContact SG-SG 3.63Å; C223-G225 PolarHBondContact O-N 3.01Å; C223-G225 VanDerWaalsContact O-N 3.15Å; C223-C226 VanDerWaalsContact CB-SG 3.58Å; C223-C226 VanDerWaalsContact SG-SG 3.67Å; C223-R227 WeakPolarHBondContact O-CA 3.25Å; C223-R227 PolarHBondContact O-N 2.89Å; C223-H228 PolarHBondContact N-O 3.03Å
224P97.2Very high94.7Very high26 Ų2658.1 Ų58.117%0.16932%0.324CS..THydrogen-bonded Turntrans-68.2-16.3-178.925.1-32.6000113.5L176 L177 M197 L204L176-P224 HydrophobicContact CD2-CB 4.02Å; L176-P224 HydrophobicContact CD2-CG 4.19Å; L177-P224 HydrophobicContact CD2-CB 4Å; L177-P224 HydrophobicContact CD2-CG 4.07Å; L177-P224 HydrophobicContact CG-CG 4.4Å; M197-P224 HydrophobicContact CG-CG 3.85Å; M197-P224 HydrophobicContact SD-CG 4.26Å; L204-P224 HydrophobicContact CD1-CG 4.08Å
225G96.4Very high94.9Very high43 Ų4353.7 Ų53.744%0.44329%0.287SS..THydrogen-bonded Turntrans-87.9-54.7176.200000113.8C223C223-G225 PolarHBondContact O-N 3.01Å; C223-G225 VanDerWaalsContact O-N 3.15Å
226C96.8Very high95Very high34 Ų3452.6 Ų52.623%0.2328%0.283CS..THydrogen-bonded Turntrans-105.5-1.1-17567.70000115C195 C223 H228C195-C226 HydrophobicContact CB-CB 3.81Å; C195-C226 VanDerWaalsContact SG-CB 3.6Å; C195-C226 VanDerWaalsContact SG-SG 3.68Å; C223-C226 VanDerWaalsContact CB-SG 3.58Å; C223-C226 VanDerWaalsContact SG-SG 3.67Å; C226-H228 PolarHBondContact O-N 2.69Å; C226-H228 PolarHBondContact O-ND1 3.31Å
227R96.6Very high94.9Very high161 Ų16148.1 Ų48.161%0.60826%0.255SS*.  trans60.23.1-178.2-58.1-59.4-147.6165.47.5116.8C223C223-R227 WeakPolarHBondContact O-CA 3.25Å; C223-R227 PolarHBondContact O-N 2.89Å
228H96Very high94.7Very high106 Ų10647.6 Ų47.649%0.49125%0.251SS..  trans-70.9142.8174.9-68.769.3000110.4H192 C223 C226H192-H228 VanDerWaalsContact NE2-CB 3.31Å; H192-H228 WeakPolarHBondContact NE2-CB 3.41Å; H192-H228 AromaticContact NE2-CG 3.91Å; C223-H228 PolarHBondContact N-O 3.03Å; C226-H228 PolarHBondContact O-N 2.69Å; C226-H228 PolarHBondContact O-ND1 3.31Å
229S95.8Very high94.4Very high81 Ų8150 Ų5057%0.56626%0.261SS*.EExtended strand (participates in β ladder)trans-68.8132.7171.2-177.10000110.3
230V95.7Very high93.9Very high4 Ų453 Ų532%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-135.8140.6-179-63.90000110.8F191 F208 E220 G221 L235F191-V230 HydrophobicContact CE1-CB 4Å; F191-V230 HydrophobicContact CE1-CG1 4.03Å; F191-V230 HydrophobicContact CE2-CG1 3.97Å; F191-V230 HydrophobicContact CZ-CB 3.7Å; F191-V230 HydrophobicContact CZ-CG1 3.44Å; F191-V230 VanDerWaalsContact CZ-CG1 3.44Å; F208-V230 HydrophobicContact CE2-CG2 3.81Å; F208-V230 HydrophobicContact CZ-CG2 3.52Å; E220-V230 VanDerWaalsContact CA-O 3.26Å; E220-V230 WeakPolarHBondContact CA-O 3.49Å; G221-V230 PolarHBondContact N-O 3.48Å; G221-V230 WeakPolarHBondContact O-CG2 3.4Å; G221-V230 PolarHBondContact O-N 3.1Å; V230-L235 HydrophobicContact CB-CD1 4.47Å; V230-L235 HydrophobicContact CB-CG 4.44Å; V230-L235 HydrophobicContact CG2-CD1 3.69Å; V230-L235 HydrophobicContact CG2-CD2 4.49Å; V230-L235 HydrophobicContact CG2-CG 4.16Å
231L95.7Very high93.2Very high62 Ų6250.6 Ų50.633%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-76.5133.8172-63.3180000110.3H145 E220 G233 S234 L235H145-L231 HydrophobicContact CB-CD2 4.05Å; E220-L231 HydrophobicContact CB-CD2 3.92Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 3.01Å; L231-S234 WeakPolarHBondContact O-CB 3.44Å; L231-S234 PolarHBondContact O-N 2.77Å; L231-S234 VanDerWaalsContact O-N 3.09Å; L231-L235 PolarHBondContact O-N 3.16Å; L231-L235 VanDerWaalsContact O-N 3.12Å
232W95.6Very high92Very high23 Ų2351 Ų519%0.08728%0.281CS..Hα-helixtrans-58.1-42.1176.1-179-109.5000111.7L201 L204 A205 F208 P218 V219 S234 L235 I236L201-W232 HydrophobicContact CG-CH2 4.22Å; L201-W232 HydrophobicContact CG-CZ2 4.35Å; L204-W232 HydrophobicContact CB-CZ3 4.33Å; L204-W232 HydrophobicContact CD2-CZ3 4.19Å; L204-W232 HydrophobicContact CG-CZ3 4.13Å; A205-W232 HydrophobicContact CB-CH2 3.66Å; A205-W232 HydrophobicContact CB-CZ2 4.07Å; A205-W232 HydrophobicContact CB-CZ3 4.19Å; F208-W232 AromaticContact CD2-CE3 3.93Å; F208-W232 HydrophobicContact CD2-CE3 3.93Å; F208-W232 HydrophobicContact CE2-CE3 4.17Å; P218-W232 HydrophobicContact CB-CB 4.1Å; P218-W232 HydrophobicContact CB-CD2 4.04Å; P218-W232 HydrophobicContact CB-CE3 4.17Å; P218-W232 HydrophobicContact CB-CG 4.01Å; P218-W232 HydrophobicContact CG-CD2 3.76Å; P218-W232 HydrophobicContact CG-CE3 3.85Å; P218-W232 HydrophobicContact CG-CG 4.16Å; P218-W232 HydrophobicContact CG-CZ2 4.44Å; P218-W232 HydrophobicContact CG-CZ3 4.24Å; P218-W232 VanDerWaalsContact O-CB 3.24Å; P218-W232 WeakPolarHBondContact O-CB 3.35Å; P218-W232 VanDerWaalsContact O-CD1 3.25Å; V219-W232 WeakPolarHBondContact O-CB 3.25Å; V219-W232 PolarHBondContact O-N 3.13Å; W232-S234 VanDerWaalsContact C-N 3.28Å; W232-S234 PolarHBondContact O-N 3.25Å; W232-L235 HydrophobicContact CE3-CD1 4.36Å; W232-L235 PolarHBondContact O-N 3.48Å; W232-I236 HydrophobicContact CD2-CG1 4.38Å; W232-I236 HydrophobicContact CH2-CD1 4.45Å; W232-I236 HydrophobicContact CZ2-CD1 3.79Å; W232-I236 HydrophobicContact CZ2-CG1 4.25Å; W232-I236 WeakPolarHBondContact O-CG1 3.38Å; W232-I236 PolarHBondContact O-N 3.12Å
233G92.9Very high90.4Very high9 Ų947.6 Ų47.69%0.09326%0.264CS..Hα-helixtrans-56.1-41.5175.100000113.8P122 L231 I236 R237P122-G233 VanDerWaalsContact CB-CA 3.46Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 3.01Å; G233-I236 PolarHBondContact O-N 3.31Å; G233-R237 VanDerWaalsContact O-CG 3.28Å; G233-R237 WeakPolarHBondContact O-CG 3.48Å; G233-R237 PolarHBondContact O-N 3.46Å
234S91.7Very high88.4Confident18 Ų1850 Ų5013%0.12629%0.289CS..Hα-helixtrans-66.5-43.7178-71.80000111.6L231 W232 I236 R237 H238 Y243L231-S234 WeakPolarHBondContact O-CB 3.44Å; L231-S234 PolarHBondContact O-N 2.77Å; L231-S234 VanDerWaalsContact O-N 3.09Å; W232-S234 VanDerWaalsContact C-N 3.28Å; W232-S234 PolarHBondContact O-N 3.25Å; S234-I236 PolarHBondContact O-N 3.33Å; S234-R237 PolarHBondContact O-N 3.4Å; S234-H238 WeakPolarHBondContact O-CB 3.3Å; S234-H238 PolarHBondContact O-N 3.05Å; S234-Y243 WeakPolarHBondContact O-CD2 3.36Å
235L93.9Very high86.3Confident1 Ų150.9 Ų50.91%0.00529%0.292CS..Hα-helixtrans-61.7-42.1175.4-73.9172.7000112.6M188 T189 F191 L204 F208 V230 L231 W232 H238 K239M188-L235 HydrophobicContact CE-CB 3.71Å; T189-L235 WeakPolarHBondContact O-CD2 3.41Å; F191-L235 HydrophobicContact CD1-CD2 3.8Å; F191-L235 HydrophobicContact CD1-CG 4.34Å; F191-L235 HydrophobicContact CE1-CD2 3.89Å; F191-L235 HydrophobicContact CE1-CG 4.04Å; L204-L235 HydrophobicContact CD2-CD1 3.88Å; F208-L235 HydrophobicContact CE2-CD1 3.71Å; F208-L235 HydrophobicContact CZ-CD1 3.95Å; V230-L235 HydrophobicContact CB-CD1 4.47Å; V230-L235 HydrophobicContact CB-CG 4.44Å; V230-L235 HydrophobicContact CG2-CD1 3.69Å; V230-L235 HydrophobicContact CG2-CD2 4.49Å; V230-L235 HydrophobicContact CG2-CG 4.16Å; L231-L235 PolarHBondContact O-N 3.16Å; L231-L235 VanDerWaalsContact O-N 3.12Å; W232-L235 HydrophobicContact CE3-CD1 4.36Å; W232-L235 PolarHBondContact O-N 3.48Å; L235-H238 WeakPolarHBondContact O-CB 3.35Å; L235-H238 PolarHBondContact O-N 2.82Å; L235-K239 PolarHBondContact O-N 2.76Å
236I92Very high84Confident46 Ų4651.9 Ų51.924%0.23629%0.287CS..Hα-helixtrans-66.1-40.9177.2-65-64.9000110.9M188 L201 W232 G233 S234 H238 K239 N240M188-I236 HydrophobicContact CE-CD1 3.97Å; M188-I236 HydrophobicContact SD-CD1 4.35Å; L201-I236 HydrophobicContact CD1-CD1 3.92Å; W232-I236 HydrophobicContact CD2-CG1 4.38Å; W232-I236 HydrophobicContact CH2-CD1 4.45Å; W232-I236 HydrophobicContact CZ2-CD1 3.79Å; W232-I236 HydrophobicContact CZ2-CG1 4.25Å; W232-I236 WeakPolarHBondContact O-CG1 3.38Å; W232-I236 PolarHBondContact O-N 3.12Å; G233-I236 PolarHBondContact O-N 3.31Å; S234-I236 PolarHBondContact O-N 3.33Å; I236-H238 VanDerWaalsContact C-N 3.31Å; I236-H238 PolarHBondContact O-N 3.43Å; I236-K239 PolarHBondContact O-N 2.89Å; I236-N240 WeakPolarHBondContact O-CB 3.23Å; I236-N240 VanDerWaalsContact O-CG 3.29Å; I236-N240 PolarHBondContact O-N 3.08Å; I236-N240 VanDerWaalsContact O-N 3.07Å; I236-N240 PolarHBondContact O-ND2 2.93Å
237R87.9Confident81.4Confident65 Ų6556.3 Ų56.325%0.24530%0.304CS..Hα-helixtrans-61.5-41.9173.5-71.8174.4-168.8-172.86.5111.2P122 G233 S234 N240 G241 C242P122-R237 PolarHBondContact O-NH2 3.24Å; G233-R237 VanDerWaalsContact O-CG 3.28Å; G233-R237 WeakPolarHBondContact O-CG 3.48Å; G233-R237 PolarHBondContact O-N 3.46Å; S234-R237 PolarHBondContact O-N 3.4Å; R237-N240 CarbonylContact O-C 3.58Å; R237-N240 PolarHBondContact O-N 2.82Å; R237-G241 PolarHBondContact O-N 3.3Å; R237-G241 VanDerWaalsContact O-N 3.16Å; R237-C242 PolarHBondContact O-N 3.29Å
238H89.3Confident78.6Confident59 Ų5956.6 Ų56.627%0.27331%0.31SS..Hα-helixtrans-60.7-49175.7-176.7-109.3000112.4T189 F191 S234 L235 I236 N240 G241 Y243T189-H238 PolarHBondContact O-ND1 2.81Å; T189-H238 PolarHBondContact OG1-CE1 2.93Å; T189-H238 PolarHBondContact OG1-ND1 3.02Å; F191-H238 HydrophobicContact CB-CB 4.33Å; F191-H238 HydrophobicContact CD1-CB 4.47Å; S234-H238 WeakPolarHBondContact O-CB 3.3Å; S234-H238 PolarHBondContact O-N 3.05Å; L235-H238 WeakPolarHBondContact O-CB 3.35Å; L235-H238 PolarHBondContact O-N 2.82Å; I236-H238 VanDerWaalsContact C-N 3.31Å; I236-H238 PolarHBondContact O-N 3.43Å; H238-N240 PolarHBondContact O-N 2.95Å; H238-G241 PolarHBondContact O-N 2.99Å; H238-Y243 HydrophobicContact CB-CD2 4.18Å; H238-Y243 HydrophobicContact CB-CG 3.95Å; H238-Y243 AromaticContact CD2-CD1 4Å
239K89.1Confident75.7Confident54 Ų5455.3 Ų55.324%0.23531%0.306CS..Hα-helixtrans-53.3-39.8173.6-173.4-153.8179.371.70112.4A185 K187 M188 L201 L235 I236 G241A185-K239 WeakPolarHBondContact O-CE 3.41Å; A185-K239 PolarHBondContact O-NZ 3.27Å; K187-K239 PolarHBondContact O-NZ 3.43Å; M188-K239 HydrophobicContact CE-CB 4.38Å; M188-K239 HydrophobicContact SD-CB 4Å; M188-K239 HydrophobicContact SD-CD 3.61Å; M188-K239 HydrophobicContact SD-CG 3.91Å; L201-K239 HydrophobicContact CD1-CD 4.34Å; L235-K239 PolarHBondContact O-N 2.76Å; I236-K239 PolarHBondContact O-N 2.89Å; K239-G241 VanDerWaalsContact C-N 3.28Å; K239-G241 PolarHBondContact O-N 2.82Å
240N84.8Confident72.6Confident87 Ų8757.4 Ų57.447%0.46532%0.316SS..THydrogen-bonded Turntrans-82.5-2.2-178.4-67.1-16.2000113.7I236 R237 H238I236-N240 WeakPolarHBondContact O-CB 3.23Å; I236-N240 VanDerWaalsContact O-CG 3.29Å; I236-N240 PolarHBondContact O-N 3.08Å; I236-N240 VanDerWaalsContact O-N 3.07Å; I236-N240 PolarHBondContact O-ND2 2.93Å; R237-N240 CarbonylContact O-C 3.58Å; R237-N240 PolarHBondContact O-N 2.82Å; H238-N240 PolarHBondContact O-N 2.95Å
241G79.2Confident69.5Low59 Ų5963.7 Ų63.761%0.60835%0.354SS*.THydrogen-bonded Turntrans836.1-177.800000114.9R237 H238 K239R237-G241 PolarHBondContact O-N 3.3Å; R237-G241 VanDerWaalsContact O-N 3.16Å; H238-G241 PolarHBondContact O-N 2.99Å; K239-G241 VanDerWaalsContact C-N 3.28Å; K239-G241 PolarHBondContact O-N 2.82Å
242C70.9Confident66.4Low23 Ų2365.3 Ų65.316%0.15537%0.371CS..  trans-103.125.3-172.3-52.20000113.4E6 R237E6-C242 HydrophobicContact CB-CB 4.45Å; E6-C242 PolarHBondContact OE2-SG 3.4Å; E6-C242 VanDerWaalsContact OE2-SG 3.32Å; R237-C242 PolarHBondContact O-N 3.29Å
243Y63.9Low63.2Low38 Ų3868.7 Ų68.715%0.14940%0.398CS..  trans-92.3-29.5-174.2-173.2-102.9000114.7F191 S234 H238 D245 L246F191-Y243 HydrophobicContact CB-CD1 3.96Å; F191-Y243 HydrophobicContact CB-CE1 3.61Å; F191-Y243 HydrophobicContact CD1-CD2 4.45Å; F191-Y243 HydrophobicContact CD1-CE1 4.39Å; F191-Y243 AromaticContact CD1-CE2 3.9Å; F191-Y243 HydrophobicContact CD1-CE2 3.9Å; F191-Y243 AromaticContact CD1-CZ 3.85Å; F191-Y243 AromaticContact CD2-CE1 3.96Å; F191-Y243 HydrophobicContact CD2-CE1 3.96Å; F191-Y243 HydrophobicContact CD2-CE2 4.47Å; F191-Y243 AromaticContact CD2-CZ 3.63Å; F191-Y243 WeakPolarHBondContact CD2-OH 3.3Å; F191-Y243 HydrophobicContact CE1-CE2 4.2Å; F191-Y243 VanDerWaalsContact CE2-OH 3.29Å; F191-Y243 WeakPolarHBondContact CE2-OH 3.25Å; F191-Y243 HydrophobicContact CG-CD1 4.43Å; F191-Y243 AromaticContact CG-CE1 3.73Å; F191-Y243 HydrophobicContact CG-CE1 3.73Å; F191-Y243 HydrophobicContact CG-CE2 4.06Å; F191-Y243 AromaticContact CG-CZ 3.52Å; S234-Y243 WeakPolarHBondContact O-CD2 3.36Å; H238-Y243 HydrophobicContact CB-CD2 4.18Å; H238-Y243 HydrophobicContact CB-CG 3.95Å; H238-Y243 AromaticContact CD2-CD1 4Å; Y243-D245 PolarHBondContact O-N 3.11Å; Y243-L246 HydrophobicContact CD2-CD1 3.72Å; Y243-L246 HydrophobicContact CE2-CD1 3.58Å; Y243-L246 PolarHBondContact O-N 3.49Å
244G55.7Low60.4Low51 Ų5177.4 Ų77.453%0.52644%0.437SS..THydrogen-bonded Turntrans-59.9-12.8-175.500000115.7L246G244-L246 VanDerWaalsContact C-N 3.31Å
245D52.8Low57.3Low45 Ų4582.8 Ų82.824%0.24146%0.464CS..THydrogen-bonded Turntrans-78.4-10.9176.1-64.5-37.2000113.6Y243Y243-D245 PolarHBondContact O-N 3.11Å
246L48.7Very low54.4Low63 Ų6388.9 Ų88.933%0.3349%0.492SS..SBendtrans-86.4-30.5179.4-75.5164.3000113.6Y243 G244 K248 N249Y243-L246 HydrophobicContact CD2-CD1 3.72Å; Y243-L246 HydrophobicContact CE2-CD1 3.58Å; Y243-L246 PolarHBondContact O-N 3.49Å; G244-L246 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 3.16Å; L246-N249 PolarHBondContact O-N 2.93Å
247E41.9Very low51.8Low127 Ų12798.3 Ų98.359%0.59353%0.525SS*.G310 helixtrans-69.5-17.7-177.9-69.7-171.6160.900113.5N249 T250E247-N249 VanDerWaalsContact C-N 3.28Å; E247-N249 PolarHBondContact O-N 3.49Å; E247-T250 PolarHBondContact O-OG1 3.13Å
248K36.9Very low49.1Very low168 Ų16899.9 Ų99.973%0.7354%0.542SS*.G310 helixtrans-78.3-5.1177.1-72.6-178179.8172.90114.6L246L246-K248 PolarHBondContact O-N 3.16Å
249N34.9Very low46.6Very low79 Ų79103.5 Ų103.542%0.42256%0.563SS.*G310 helixtrans-113.90.2-176.1-76.2-40.3000114.9M1 L246 E247M1-N249 PolarHBondContact SD-OD1 2.9Å; M1-N249 VanDerWaalsContact SD-OD1 3.35Å; L246-N249 PolarHBondContact O-N 2.93Å; E247-N249 VanDerWaalsContact C-N 3.28Å; E247-N249 PolarHBondContact O-N 3.49Å
250T31.5Very low44Very low124 Ų124109.3 Ų109.376%0.76159%0.591SS**SBendtrans-87.32178.223.30000114.6E247E247-T250 PolarHBondContact O-OG1 3.13Å
251T30.4Very low41.9Very low136 Ų136113.3 Ų113.383%0.83461%0.611SS**  trans-103.862.5165.947.70000111.2
252S29.6Very low39.9Very low97 Ų97118.6 Ų118.668%0.67862%0.621SS**SBendtrans-133.6104.1153176.30000106.3Q254S252-Q254 PolarHBondContact O-N 3.23Å; S252-Q254 VanDerWaalsContact O-N 3.11Å
253S30.1Very low38.3Very low94 Ų94131.1 Ų131.166%0.65767%0.673SS**  trans-38.4114.2177.555.30000111.8N255S253-N255 PolarHBondContact O-N 3.47Å
254Q32.3Very low37Very low192 Ų192135.8 Ų135.890%0.89770%0.699SS**  trans-68.392.8154.6-75.6178-23.100106.4S252 H256S252-Q254 PolarHBondContact O-N 3.23Å; S252-Q254 VanDerWaalsContact O-N 3.11Å; Q254-H256 PolarHBondContact O-N 3.24Å
255N27.5Very low36Very low131 Ų131140.3 Ų140.370%0.70171%0.708SS**  trans-71.5114.3156.5-75.3-4.6000106.3S253 W257S253-N255 PolarHBondContact O-N 3.47Å; N255-W257 PolarHBondContact O-N 3.14Å
256H33.1Very low35.1Very low128 Ų128145.6 Ų145.659%0.59373%0.734SS**  trans-58.3118.1178.5-173.4-109.5000109.2Q254 T258Q254-H256 PolarHBondContact O-N 3.24Å; H256-T258 VanDerWaalsContact CE1-CB 3.45Å; H256-T258 WeakPolarHBondContact CE1-CB 3.36Å; H256-T258 PolarHBondContact CE1-OG1 3.1Å; H256-T258 WeakPolarHBondContact ND1-CB 3.4Å; H256-T258 PolarHBondContact ND1-OG1 3.21Å; H256-T258 PolarHBondContact NE2-OG1 3.18Å; H256-T258 PolarHBondContact O-N 3.05Å
257W37.5Very low34.3Very low245 Ų245150.4 Ų150.493%0.92876%0.758SS**THydrogen-bonded Turntrans-69.123.8-177.7-78.986.7000114.5N255N255-W257 PolarHBondContact O-N 3.14Å
258T31.6Very low33.8Very low98 Ų98151.9 Ų151.960%0.60177%0.768SS**THydrogen-bonded Turntrans-120.64.5-170.7-8.90000114H256H256-T258 VanDerWaalsContact CE1-CB 3.45Å; H256-T258 WeakPolarHBondContact CE1-CB 3.36Å; H256-T258 PolarHBondContact CE1-OG1 3.1Å; H256-T258 WeakPolarHBondContact ND1-CB 3.4Å; H256-T258 PolarHBondContact ND1-OG1 3.21Å; H256-T258 PolarHBondContact NE2-OG1 3.18Å; H256-T258 PolarHBondContact O-N 3.05Å
259D36Very low33.6Very low134 Ų134150.8 Ų150.872%0.71777%0.771SS**SBendtrans-105.85.2-178.3-65.5-18.7000114.6
260E34Very low33.5Very low176 Ų176155.9 Ų155.982%0.82280%0.796SS**  trans-107.928.8-178.5-74.3-172.1165.700114.9
261L40.9Very low33.7Very low171 Ų171158.4 Ų158.490%0.89580%0.798SS**  trans-123.244.7169.8-71.2176000112.9
262Q37.9Very low34Very low171 Ų171160.3 Ų160.380%0.79980%0.795SS**  trans-128.5101.6155.6-71.1-174.8-7.400107.4
263F37.4Very low34.4Very low286 Ų286166 Ų166100%1.25481%0.806SS**  trans174.90133.1-86.2-63.7000108.9

Retrieved 263 of 263 residues in 1437.3 ms (Link to these results)

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