A0A060WS27_ONCMY Loading...

Autophagy-related protein 101

AlphaFold DB , UniProt , Accession A0A060WS27, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533658, Length 217 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
1M61.8Low91.7Very high135 Ų13567.9 Ų67.967%0.66539%0.39SS*.  0115.80-174.1177.8-68.200105.7W118 Y163M1-W118 HydrophobicContact SD-CB 4.4Å; M1-Y163 HydrophobicContact CE-CD1 4.2Å; M1-Y163 HydrophobicContact CE-CD2 3.72Å; M1-Y163 HydrophobicContact CE-CE1 3.66Å; M1-Y163 HydrophobicContact CE-CE2 3.11Å; M1-Y163 HydrophobicContact CE-CG 4.22Å; M1-Y163 WeakPolarHBondContact CE-OH 3.46Å; M1-Y163 HydrophobicContact CG-CD1 4.18Å; M1-Y163 HydrophobicContact CG-CE1 4.34Å; M1-Y163 HydrophobicContact CG-CG 4.28Å; M1-Y163 HydrophobicContact SD-CD1 3.57Å; M1-Y163 VanDerWaalsContact SD-CD1 3.57Å; M1-Y163 HydrophobicContact SD-CD2 4.16Å; M1-Y163 HydrophobicContact SD-CE1 3.15Å; M1-Y163 WeakPolarHBondContact SD-CE1 3.43Å; M1-Y163 HydrophobicContact SD-CE2 3.82Å; M1-Y163 HydrophobicContact SD-CG 4.03Å
2N81.3Confident92.1Very high150 Ų15062.3 Ų62.380%0.80236%0.357SS*.PPolyproline II helixtrans-85.8121.2-177.9-64.9-7.7000107R4N2-R4 PolarHBondContact O-N 3.27Å
3C91.2Very high92.3Very high48 Ų4859 Ų5932%0.32434%0.337SS..PPolyproline II helixtrans-59.9132.5170.7-178.10000108.5P117C3-P117 HydrophobicContact CB-CG 4.43Å
4R93.1Very high92.4Very high34 Ų3455.9 Ų55.913%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-89.7147.1175.1-53.1-158.9-51.2-97.220.7109.9N2 W118 E119 V120 E162 Y163N2-R4 PolarHBondContact O-N 3.27Å; R4-W118 PolarHBondContact N-O 3.33Å; R4-W118 VanDerWaalsContact N-O 3.08Å; R4-E119 CarbonylContact O-C 3.54Å; R4-E119 WeakPolarHBondContact O-CA 3.41Å; R4-V120 PolarHBondContact O-N 3.37Å; R4-E162 VanDerWaalsContact CD-OE1 3.28Å; R4-E162 WeakPolarHBondContact CD-OE1 3.46Å; R4-E162 WeakPolarHBondContact CD-OE2 3.43Å; R4-E162 IonicContact CZ-OE2 3.94Å; R4-E162 IonicContact NE-OE1 3.18Å; R4-E162 IonicContact NE-OE2 3.37Å; R4-E162 PolarHBondContact NE-OE2 2.73Å; R4-E162 IonicContact NH1-OE2 2.79Å; R4-E162 VanDerWaalsContact NH2-CB 3.32Å; R4-E162 IonicContact NH2-OE2 3.92Å; R4-E162 PolarHBondContact NH2-OE2 3.47Å; R4-Y163 PolarHBondContact NH1-O 2.84Å
5S95.9Very high92.5Very high84 Ų8457.4 Ų57.459%0.58732%0.323SS*.EExtended strand (participates in β ladder)trans-137.5127.6-179.2-60.90000109.4V120S5-V120 CarbonylContact C-O 3.6Å; S5-V120 VanDerWaalsContact CA-O 3.3Å; S5-V120 WeakPolarHBondContact CA-O 3.15Å
6E97.6Very high92.8Very high41 Ų4153.8 Ų53.819%0.19230%0.302CS..EExtended strand (participates in β ladder)trans-126.1143.3-178.5-65-73.4174.600108.8V120 W121 S122 V157 R160E6-V120 PolarHBondContact N-O 3.46Å; E6-W121 HydrophobicContact CB-CD2 4.12Å; E6-W121 HydrophobicContact CB-CE3 3.72Å; E6-W121 HydrophobicContact CB-CH2 4.25Å; E6-W121 HydrophobicContact CB-CZ3 3.79Å; E6-W121 HydrophobicContact CG-CH2 4.36Å; E6-W121 HydrophobicContact CG-CZ3 4.38Å; E6-S122 PolarHBondContact O-N 3.38Å; E6-V157 HydrophobicContact CG-CG1 3.69Å; E6-V157 WeakPolarHBondContact OE1-CG1 3.34Å; E6-R160 IonicContact OE1-NH1 3.72Å; E6-R160 PolarHBondContact OE1-NH1 2.61Å
7A97.4Very high93Very high67 Ų6750.8 Ų50.855%0.55429%0.285SS*.EExtended strand (participates in β ladder)trans-126.9128.4-176.200000111S122A7-S122 CarbonylContact C-O 3.59Å; A7-S122 VanDerWaalsContact CA-O 3.29Å; A7-S122 WeakPolarHBondContact CA-O 3.37Å
8L98Very high93.2Very high5 Ų550.4 Ų50.43%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-115.8147.5175.3-58.2169.7000108L24 W121 S122 I123 K124 K150 I154L8-L24 HydrophobicContact CD1-CD1 4.48Å; L8-W121 HydrophobicContact CD1-CE3 4.08Å; L8-W121 HydrophobicContact CD1-CZ3 4.29Å; L8-W121 HydrophobicContact CG-CE3 4.46Å; L8-S122 PolarHBondContact N-O 2.97Å; L8-I123 HydrophobicContact CB-CG1 4.47Å; L8-I123 HydrophobicContact CD1-CG1 4.22Å; L8-K124 PolarHBondContact O-N 3.01Å; L8-K150 HydrophobicContact CD2-CD 4.22Å; L8-I154 HydrophobicContact CD1-CD1 3.76Å; L8-I154 HydrophobicContact CD1-CG1 3.75Å; L8-I154 HydrophobicContact CD2-CG1 4.48Å
9E97.8Very high93.5Very high115 Ų11549.1 Ų49.154%0.53727%0.274SS..EExtended strand (participates in β ladder)trans-136.8131.6178.1-173175154.300110K124 K150E9-K124 WeakPolarHBondContact CA-O 3.44Å; E9-K124 HydrophobicContact CB-CB 4.32Å; E9-K124 HydrophobicContact CG-CB 4.15Å; E9-K150 WeakPolarHBondContact O-CE 3.43Å
10V97.3Very high93.8Very high7 Ų746.6 Ų46.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-133.3143.4177.5-640000110.2V12 M21 L24 K124 V125 N126 L147 K150V10-V12 HydrophobicContact CB-CG1 4.27Å; V10-V12 HydrophobicContact CG2-CG1 4.23Å; V10-M21 HydrophobicContact CG2-CE 3.65Å; V10-L24 HydrophobicContact CG1-CD1 4.15Å; V10-K124 PolarHBondContact N-O 2.97Å; V10-V125 HydrophobicContact CG2-CB 4.32Å; V10-V125 HydrophobicContact CG2-CG2 4.2Å; V10-V125 WeakPolarHBondContact O-CA 3.4Å; V10-N126 PolarHBondContact O-N 3.24Å; V10-L147 HydrophobicContact CG1-CD2 4.22Å; V10-K150 HydrophobicContact CG1-CG 4.16Å
11S96.8Very high94Very high61 Ų6144.4 Ų44.443%0.42725%0.248SC..EExtended strand (participates in β ladder)trans-112.6125.3170.5-67.40000108.8N126S11-N126 CarbonylContact C-O 3.54Å; S11-N126 VanDerWaalsContact CA-O 3.26Å; S11-N126 WeakPolarHBondContact CA-O 3.39Å; S11-N126 PolarHBondContact OG-ND2 3.12Å
12V96.6Very high95.7Very high0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-144157.3-169.1-56.60000111.8V10 Q16 V17 A20 V125 N126 V127 V128 V143V10-V12 HydrophobicContact CB-CG1 4.27Å; V10-V12 HydrophobicContact CG2-CG1 4.23Å; V12-Q16 HydrophobicContact CB-CB 3.95Å; V12-Q16 HydrophobicContact CG2-CB 4.48Å; V12-V17 HydrophobicContact CG2-CG2 3.75Å; V12-A20 HydrophobicContact CG1-CB 4.06Å; V12-V125 HydrophobicContact CG2-CG2 3.53Å; V12-N126 PolarHBondContact N-O 3.35Å; V12-V127 WeakPolarHBondContact O-CA 3.32Å; V12-V128 PolarHBondContact O-N 3.34Å; V12-V143 HydrophobicContact CG1-CG1 3.84Å; V12-V143 HydrophobicContact CG1-CG2 4.21Å
13E95.4Very high96.6Very high20 Ų2031.1 Ų31.19%0.09318%0.179CC..EExtended strand (participates in β ladder)trans-71151.5166.4-172180-156.800110.1R15 Q16 L130 R136E13-R15 HydrophobicContact CG-CG 4.28Å; E13-R15 PolarHBondContact O-N 3.42Å; E13-R15 IonicContact OE2-CZ 3.85Å; E13-R15 IonicContact OE2-NE 3.38Å; E13-R15 PolarHBondContact OE2-NE 3.14Å; E13-R15 IonicContact OE2-NH2 3.95Å; E13-R15 PolarHBondContact OE2-NH2 2.9Å; E13-Q16 HydrophobicContact CB-CG 4.3Å; E13-Q16 WeakPolarHBondContact O-CB 3.35Å; E13-Q16 PolarHBondContact O-N 2.76Å; E13-L130 HydrophobicContact CB-CD1 4.01Å; E13-L130 HydrophobicContact CG-CD1 4.15Å; E13-L130 HydrophobicContact CG-CG 4.44Å; E13-R136 WeakPolarHBondContact OE1-CG 3.36Å; E13-R136 IonicContact OE1-CZ 3.26Å; E13-R136 IonicContact OE1-NE 2.71Å; E13-R136 PolarHBondContact OE1-NE 3.02Å
14G93.9Very high96.9Very high16 Ų1628.8 Ų28.817%0.16516%0.164CC..G310 helixtrans-52.9-32.8-176.600000115.3Q16 V17G14-Q16 VanDerWaalsContact C-N 3.31Å; G14-Q16 PolarHBondContact O-N 3.28Å; G14-V17 WeakPolarHBondContact O-CG2 3.37Å
15R93.6Very high97.2Very high78 Ų7827.2 Ų27.229%0.29416%0.158SC..G310 helixtrans-73.3-19.8176.766.3-178.1175.5165-0.1114.2E13 F59E13-R15 HydrophobicContact CG-CG 4.28Å; E13-R15 PolarHBondContact O-N 3.42Å; E13-R15 IonicContact OE2-CZ 3.85Å; E13-R15 IonicContact OE2-NE 3.38Å; E13-R15 PolarHBondContact OE2-NE 3.14Å; E13-R15 IonicContact OE2-NH2 3.95Å; E13-R15 PolarHBondContact OE2-NH2 2.9Å; R15-F59 HydrophobicContact CB-CD1 4.46Å; R15-F59 HydrophobicContact CB-CG 4.39Å; R15-F59 HydrophobicContact CG-CB 4.24Å; R15-F59 HydrophobicContact CG-CD1 4.08Å; R15-F59 HydrophobicContact CG-CG 4.12Å
16Q97.1Very high97.3Very high0 Ų023.3 Ų23.30%013%0.13CC..G310 helixtrans-89.2-10.7-178.4-65.1176-3900112.8V12 E13 G14 D18 E19 A20 F59 I60 C139V12-Q16 HydrophobicContact CB-CB 3.95Å; V12-Q16 HydrophobicContact CG2-CB 4.48Å; E13-Q16 HydrophobicContact CB-CG 4.3Å; E13-Q16 WeakPolarHBondContact O-CB 3.35Å; E13-Q16 PolarHBondContact O-N 2.76Å; G14-Q16 VanDerWaalsContact C-N 3.31Å; G14-Q16 PolarHBondContact O-N 3.28Å; Q16-D18 PolarHBondContact O-N 2.92Å; Q16-E19 PolarHBondContact O-N 3.42Å; Q16-A20 WeakPolarHBondContact O-CB 3.48Å; Q16-A20 PolarHBondContact O-N 3.39Å; Q16-F59 HydrophobicContact CG-CB 3.93Å; Q16-F59 WeakPolarHBondContact CG-O 3.4Å; Q16-F59 PolarHBondContact NE2-O 3.49Å; Q16-I60 HydrophobicContact CB-CD1 3.97Å; Q16-I60 HydrophobicContact CB-CG1 3.87Å; Q16-I60 HydrophobicContact CG-CD1 4.44Å; Q16-I60 HydrophobicContact CG-CG1 3.78Å; Q16-C139 PolarHBondContact OE1-SG 2.78Å
17V96.4Very high97.4Very high2 Ų221.8 Ų21.81%0.01212%0.124CC..Hα-helixtrans-54.6-49.4-177170.40000111.7V12 G14 E19 A20 M21 F83 K84 M87 V125 V127V12-V17 HydrophobicContact CG2-CG2 3.75Å; G14-V17 WeakPolarHBondContact O-CG2 3.37Å; V17-E19 PolarHBondContact O-N 3.13Å; V17-A20 PolarHBondContact O-N 3.06Å; V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.42Å; V17-M21 VanDerWaalsContact O-CG 3.24Å; V17-M21 WeakPolarHBondContact O-CG 3.34Å; V17-M21 PolarHBondContact O-N 2.84Å; V17-F83 HydrophobicContact CG1-CE1 4.29Å; V17-K84 HydrophobicContact CG1-CB 4.37Å; V17-K84 HydrophobicContact CG1-CG 4.42Å; V17-M87 HydrophobicContact CB-CE 4.45Å; V17-M87 HydrophobicContact CG1-CE 3.51Å; V17-M87 HydrophobicContact CG2-CE 4.11Å; V17-V125 HydrophobicContact CG2-CG2 4.41Å; V17-V127 HydrophobicContact CG2-CG2 3.84Å
18D96.9Very high97.5Very high45 Ų4518.6 Ų18.624%0.24110%0.097CC..Hα-helixtrans-60.4-49-176-69.1-38.2000111.1Q16 M21 L22 V80 K84Q16-D18 PolarHBondContact O-N 2.92Å; D18-M21 PolarHBondContact O-N 3.42Å; D18-L22 VanDerWaalsContact O-CB 3.27Å; D18-L22 WeakPolarHBondContact O-CB 3.47Å; D18-L22 WeakPolarHBondContact O-CD1 3.47Å; D18-L22 WeakPolarHBondContact O-CG 3.34Å; D18-L22 PolarHBondContact O-N 3.4Å; D18-V80 HydrophobicContact CB-CG1 4.33Å; D18-V80 WeakPolarHBondContact OD1-CG1 3.35Å; D18-K84 WeakPolarHBondContact OD1-CD 3.17Å; D18-K84 VanDerWaalsContact OD2-CD 3.27Å; D18-K84 WeakPolarHBondContact OD2-CD 3.36Å; D18-K84 IonicContact OD2-NZ 3.86Å; D18-K84 PolarHBondContact OD2-NZ 3.46Å
19E98.5Very high97.5Very high24 Ų2418.3 Ų18.311%0.11210%0.096CC..Hα-helixtrans-66.6-43.5-177.6-67.6180162.300112.2Q16 V17 M21 L22 A23 C57 D58 F59 I60Q16-E19 PolarHBondContact O-N 3.42Å; V17-E19 PolarHBondContact O-N 3.13Å; E19-M21 PolarHBondContact O-N 3.29Å; E19-L22 PolarHBondContact O-N 3.27Å; E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.48Å; E19-A23 PolarHBondContact O-N 2.92Å; E19-C57 HydrophobicContact CB-CB 4.33Å; E19-C57 HydrophobicContact CG-CB 4.36Å; E19-C57 WeakPolarHBondContact OE2-CB 3.34Å; E19-D58 WeakPolarHBondContact OE1-CA 3.34Å; E19-D58 WeakPolarHBondContact OE1-CB 3.47Å; E19-D58 PolarHBondContact OE1-N 2.82Å; E19-F59 PolarHBondContact OE1-N 3.43Å; E19-F59 WeakPolarHBondContact OE2-CA 3.39Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 2.89Å; E19-I60 HydrophobicContact CB-CD1 3.72Å; E19-I60 HydrophobicContact CB-CG1 4.36Å; E19-I60 PolarHBondContact OE2-N 3.45Å
20A98.5Very high97.5Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-62.6-43.7177.300000111.8V12 Q16 V17 L24 I60 L147V12-A20 HydrophobicContact CG1-CB 4.06Å; Q16-A20 WeakPolarHBondContact O-CB 3.48Å; Q16-A20 PolarHBondContact O-N 3.39Å; V17-A20 PolarHBondContact O-N 3.06Å; A20-L24 WeakPolarHBondContact O-CG 3.37Å; A20-L24 PolarHBondContact O-N 3.13Å; A20-I60 HydrophobicContact CB-CD1 4.01Å; A20-L147 HydrophobicContact CB-CD1 4.42Å; A20-L147 HydrophobicContact CB-CD2 4.22Å
21M98.3Very high97.5Very high0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-68.7-43.4178.3-66.3-55.592.700111.6V10 V17 D18 E19 L24 L25 V80 F83 I97 I123 V125V10-M21 HydrophobicContact CG2-CE 3.65Å; V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.42Å; V17-M21 VanDerWaalsContact O-CG 3.24Å; V17-M21 WeakPolarHBondContact O-CG 3.34Å; V17-M21 PolarHBondContact O-N 2.84Å; D18-M21 PolarHBondContact O-N 3.42Å; E19-M21 PolarHBondContact O-N 3.29Å; M21-L24 PolarHBondContact O-N 3.38Å; M21-L25 WeakPolarHBondContact O-CB 3.25Å; M21-L25 VanDerWaalsContact O-CG 3.25Å; M21-L25 WeakPolarHBondContact O-CG 3.42Å; M21-L25 PolarHBondContact O-N 3.06Å; M21-V80 HydrophobicContact CB-CG1 3.85Å; M21-V80 HydrophobicContact CB-CG2 3.89Å; M21-V80 HydrophobicContact CG-CG1 4.45Å; M21-F83 HydrophobicContact CG-CD1 4.49Å; M21-F83 HydrophobicContact CG-CE1 4.26Å; M21-F83 HydrophobicContact SD-CE1 4.37Å; M21-I97 HydrophobicContact CB-CD1 4.32Å; M21-I97 HydrophobicContact CG-CD1 4.05Å; M21-I97 HydrophobicContact SD-CD1 4.21Å; M21-I123 HydrophobicContact CE-CG2 3.46Å; M21-I123 VanDerWaalsContact CE-CG2 3.46Å; M21-I123 HydrophobicContact SD-CB 4.28Å; M21-I123 HydrophobicContact SD-CG2 3.61Å; M21-V125 HydrophobicContact CE-CB 4.2Å; M21-V125 HydrophobicContact CE-CG2 4.46Å
22L98.8Very high97.6Very high6 Ų615.8 Ų15.83%0.0318%0.078CC..Hα-helixtrans-61.6-44.6177.7-73.6167.7000111.6D18 E19 L24 L25 H26 F64 I76 R77 V80D18-L22 VanDerWaalsContact O-CB 3.27Å; D18-L22 WeakPolarHBondContact O-CB 3.47Å; D18-L22 WeakPolarHBondContact O-CD1 3.47Å; D18-L22 WeakPolarHBondContact O-CG 3.34Å; D18-L22 PolarHBondContact O-N 3.4Å; E19-L22 PolarHBondContact O-N 3.27Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-H26 WeakPolarHBondContact O-CB 3.22Å; L22-H26 PolarHBondContact O-CD2 2.58Å; L22-H26 PolarHBondContact O-N 3.32Å; L22-F64 HydrophobicContact CB-CZ 4.07Å; L22-I76 HydrophobicContact CD2-CB 4.37Å; L22-I76 HydrophobicContact CD2-CG2 3.83Å; L22-R77 HydrophobicContact CD1-CG 4.08Å; L22-R77 HydrophobicContact CD2-CG 3.68Å; L22-V80 HydrophobicContact CD2-CG2 4.28Å; L22-V80 HydrophobicContact CG-CG2 4.47Å
23A98.8Very high97.6Very high0 Ų016.8 Ų16.80%09%0.085CC..Hα-helixtrans-57-47.5178.800000112E19 T27 F62 F64 L147E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.48Å; E19-A23 PolarHBondContact O-N 2.92Å; A23-T27 WeakPolarHBondContact O-CB 3.27Å; A23-T27 PolarHBondContact O-N 2.72Å; A23-T27 VanDerWaalsContact O-N 3.1Å; A23-T27 PolarHBondContact O-OG1 2.87Å; A23-F62 HydrophobicContact CB-CD1 4.37Å; A23-F62 HydrophobicContact CB-CE1 4.18Å; A23-F64 HydrophobicContact CB-CB 3.91Å; A23-F64 HydrophobicContact CB-CD1 3.71Å; A23-F64 HydrophobicContact CB-CE1 4.34Å; A23-F64 HydrophobicContact CB-CG 3.82Å; A23-L147 HydrophobicContact CB-CD1 4.28Å
24L98.8Very high97.7Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-72.4-45.4-178.5-62.7177.7000112.3L8 V10 A20 M21 L22 T27 I28 I123 L147 K150 I154L8-L24 HydrophobicContact CD1-CD1 4.48Å; V10-L24 HydrophobicContact CG1-CD1 4.15Å; A20-L24 WeakPolarHBondContact O-CG 3.37Å; A20-L24 PolarHBondContact O-N 3.13Å; M21-L24 PolarHBondContact O-N 3.38Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.43Å; L24-T27 PolarHBondContact O-N 2.92Å; L24-I28 WeakPolarHBondContact O-CD1 3.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 2.88Å; L24-I28 VanDerWaalsContact O-N 3.08Å; L24-I123 HydrophobicContact CB-CD1 3.72Å; L24-I123 HydrophobicContact CD1-CD1 4.46Å; L24-I123 HydrophobicContact CD1-CG2 3.63Å; L24-L147 HydrophobicContact CD1-CD2 4.25Å; L24-L147 HydrophobicContact CD2-CD2 4.15Å; L24-L147 HydrophobicContact CG-CD2 4.09Å; L24-K150 HydrophobicContact CD2-CB 3.65Å; L24-I154 HydrophobicContact CD2-CD1 3.86Å
25L98.8Very high97.9Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-64.3-43.4179.7-70.7169.4000111.9M21 L22 I28 L29 I76 V80 I97 L99 I123M21-L25 WeakPolarHBondContact O-CB 3.25Å; M21-L25 VanDerWaalsContact O-CG 3.25Å; M21-L25 WeakPolarHBondContact O-CG 3.42Å; M21-L25 PolarHBondContact O-N 3.06Å; L22-L25 PolarHBondContact O-N 2.94Å; L25-I28 PolarHBondContact O-N 3.32Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.26Å; L25-I76 HydrophobicContact CB-CG2 3.92Å; L25-I76 HydrophobicContact CD1-CG2 3.79Å; L25-V80 HydrophobicContact CD1-CG2 3.63Å; L25-I97 HydrophobicContact CD1-CD1 4.43Å; L25-I97 HydrophobicContact CD1-CG2 4.29Å; L25-I97 HydrophobicContact CD2-CG2 4.16Å; L25-L99 HydrophobicContact CD2-CB 3.9Å; L25-L99 HydrophobicContact CD2-CD2 4.02Å; L25-I123 HydrophobicContact CD2-CD1 3.73Å; L25-I123 HydrophobicContact CG-CD1 3.87Å
26H98.8Very high98.1Very high2 Ų215.2 Ų15.21%0.0098%0.078CC..Hα-helixtrans-67.7-36.6177.5-82.2-60000112.5L22 I28 L29 L30 F64 R66 D73L22-H26 WeakPolarHBondContact O-CB 3.22Å; L22-H26 PolarHBondContact O-CD2 2.58Å; L22-H26 PolarHBondContact O-N 3.32Å; H26-I28 PolarHBondContact O-N 3.11Å; H26-L29 PolarHBondContact O-N 3.41Å; H26-L30 VanDerWaalsContact O-CB 3.31Å; H26-L30 WeakPolarHBondContact O-CB 3.35Å; H26-L30 PolarHBondContact O-N 3.01Å; H26-F64 HydrophobicContact CB-CD2 4.07Å; H26-F64 HydrophobicContact CB-CE2 3.94Å; H26-F64 AromaticContact CD2-CE2 3.64Å; H26-R66 HydrophobicContact CB-CB 3.73Å; H26-D73 IonicContact CD2-OD1 3.97Å; H26-D73 IonicContact CE1-OD1 2.7Å; H26-D73 PolarHBondContact CE1-OD1 2.99Å; H26-D73 IonicContact NE2-OD1 3.56Å; H26-D73 PolarHBondContact NE2-OD1 2.96Å
27T98.7Very high98Very high9 Ų916 Ų166%0.0558%0.082CC..Hα-helixtrans-59.1-47.9172.8-61.20000110.7A23 L24 L29 L30 H31 V151 I154A23-T27 WeakPolarHBondContact O-CB 3.27Å; A23-T27 PolarHBondContact O-N 2.72Å; A23-T27 VanDerWaalsContact O-N 3.1Å; A23-T27 PolarHBondContact O-OG1 2.87Å; L24-T27 PolarHBondContact O-N 2.92Å; T27-L29 PolarHBondContact O-N 3Å; T27-L30 WeakPolarHBondContact O-CB 3.47Å; T27-L30 PolarHBondContact O-N 3.49Å; T27-H31 PolarHBondContact O-CD2 3.29Å; T27-H31 PolarHBondContact O-N 2.84Å; T27-V151 HydrophobicContact CG2-CG1 4.11Å; T27-V151 HydrophobicContact CG2-CG2 4.3Å; T27-I154 HydrophobicContact CG2-CB 4.39Å; T27-I154 HydrophobicContact CG2-CD1 4.15Å; T27-I154 HydrophobicContact CG2-CG2 3.98Å
28I98.6Very high98Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-63.2-45.3178.3-63157.7000110.8L24 L25 H26 L30 H31 R32 L99 F101 W121 I123 I154L24-I28 WeakPolarHBondContact O-CD1 3.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 2.88Å; L24-I28 VanDerWaalsContact O-N 3.08Å; L25-I28 PolarHBondContact O-N 3.32Å; H26-I28 PolarHBondContact O-N 3.11Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.71Å; I28-H31 PolarHBondContact O-N 2.86Å; I28-R32 HydrophobicContact CG2-CG 4.41Å; I28-R32 WeakPolarHBondContact O-CB 3.23Å; I28-R32 WeakPolarHBondContact O-CG 3.43Å; I28-R32 PolarHBondContact O-N 2.85Å; I28-R32 VanDerWaalsContact O-N 3.1Å; I28-L99 HydrophobicContact CB-CD2 4.08Å; I28-L99 HydrophobicContact CD1-CD2 4.49Å; I28-L99 HydrophobicContact CG2-CD2 3.69Å; I28-F101 HydrophobicContact CG2-CE2 3.72Å; I28-F101 HydrophobicContact CG2-CZ 3.94Å; I28-W121 HydrophobicContact CD1-CB 3.73Å; I28-W121 HydrophobicContact CD1-CD2 3.69Å; I28-W121 HydrophobicContact CD1-CE3 3.88Å; I28-W121 HydrophobicContact CD1-CG 3.64Å; I28-W121 HydrophobicContact CG1-CD2 3.98Å; I28-W121 HydrophobicContact CG1-CE3 4.25Å; I28-W121 HydrophobicContact CG1-CG 4.22Å; I28-W121 HydrophobicContact CG2-CD2 4.32Å; I28-W121 HydrophobicContact CG2-CG 4.05Å; I28-I123 HydrophobicContact CD1-CD1 4.38Å; I28-I154 HydrophobicContact CD1-CD1 4.4Å; I28-I154 HydrophobicContact CG1-CD1 4.03Å; I28-I154 HydrophobicContact CG1-CG1 4.27Å; I28-I154 HydrophobicContact CG1-CG2 3.97Å
29L98.6Very high97.8Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-66.9-32.2-179.3-77.9163.4000113.1L25 H26 T27 H31 R32 S33 L72 I76 L99 F101 Y189L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.26Å; H26-L29 PolarHBondContact O-N 3.41Å; T27-L29 PolarHBondContact O-N 3Å; L29-H31 VanDerWaalsContact C-N 3.26Å; L29-H31 PolarHBondContact O-N 3.13Å; L29-R32 CarbonylContact O-C 3.56Å; L29-R32 PolarHBondContact O-N 3.38Å; L29-R32 VanDerWaalsContact O-N 3.1Å; L29-S33 WeakPolarHBondContact O-CB 3.41Å; L29-S33 PolarHBondContact O-N 3.48Å; L29-S33 PolarHBondContact O-OG 3.32Å; L29-L72 HydrophobicContact CD1-CD1 4.29Å; L29-I76 HydrophobicContact CD1-CD1 3.35Å; L29-I76 HydrophobicContact CD1-CG1 3.66Å; L29-L99 HydrophobicContact CG-CD2 4.22Å; L29-F101 HydrophobicContact CD2-CE1 4.14Å; L29-F101 HydrophobicContact CD2-CZ 4.22Å; L29-Y189 HydrophobicContact CD2-CD1 4.31Å; L29-Y189 HydrophobicContact CD2-CE1 4.44Å; L29-Y189 HydrophobicContact CD2-CG 4.45Å
30L98.4Very high97.5Very high46 Ų4625.7 Ų25.724%0.24112%0.122CC..Hα-helixtrans-56.4-43.7172.5176.162.9000110.9H26 T27 I28 R32 T52 V65 V67H26-L30 VanDerWaalsContact O-CB 3.31Å; H26-L30 WeakPolarHBondContact O-CB 3.35Å; H26-L30 PolarHBondContact O-N 3.01Å; T27-L30 WeakPolarHBondContact O-CB 3.47Å; T27-L30 PolarHBondContact O-N 3.49Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.71Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-T52 HydrophobicContact CD1-CG2 3.69Å; L30-V65 HydrophobicContact CD2-CB 4.18Å; L30-V65 HydrophobicContact CD2-CG1 3.98Å; L30-V67 HydrophobicContact CD1-CG2 3.98Å
31H97.4Very high96.8Very high74 Ų7436 Ų3634%0.34317%0.167SC..THydrogen-bonded Turntrans-83.5-4.7178.1-69-71.3000114.7T27 I28 L29 I158T27-H31 PolarHBondContact O-CD2 3.29Å; T27-H31 PolarHBondContact O-N 2.84Å; I28-H31 PolarHBondContact O-N 2.86Å; L29-H31 VanDerWaalsContact C-N 3.26Å; L29-H31 PolarHBondContact O-N 3.13Å; H31-I158 HydrophobicContact CB-CD1 3.39Å; H31-I158 HydrophobicContact CB-CG2 4.08Å
32R97.7Very high96.2Very high9 Ų944.4 Ų44.43%0.03421%0.206CC..THydrogen-bonded Turntrans-12120.8179.9-66-67.1-178.3-81.6-4.9112.5I28 L29 L30 F101 E119 Y187I28-R32 HydrophobicContact CG2-CG 4.41Å; I28-R32 WeakPolarHBondContact O-CB 3.23Å; I28-R32 WeakPolarHBondContact O-CG 3.43Å; I28-R32 PolarHBondContact O-N 2.85Å; I28-R32 VanDerWaalsContact O-N 3.1Å; L29-R32 CarbonylContact O-C 3.56Å; L29-R32 PolarHBondContact O-N 3.38Å; L29-R32 VanDerWaalsContact O-N 3.1Å; L30-R32 VanDerWaalsContact C-N 3.33Å; R32-F101 HydrophobicContact CB-CD1 4.32Å; R32-F101 HydrophobicContact CB-CE1 3.51Å; R32-F101 HydrophobicContact CB-CE2 4.1Å; R32-F101 HydrophobicContact CB-CZ 3.38Å; R32-F101 HydrophobicContact CG-CD2 4.36Å; R32-F101 HydrophobicContact CG-CE1 4.06Å; R32-F101 HydrophobicContact CG-CE2 3.72Å; R32-F101 HydrophobicContact CG-CZ 3.54Å; R32-E119 IonicContact CZ-OE1 2.77Å; R32-E119 IonicContact CZ-OE2 2.86Å; R32-E119 VanDerWaalsContact CZ-OE2 3.27Å; R32-E119 IonicContact NE-OE1 3.4Å; R32-E119 IonicContact NE-OE2 3.23Å; R32-E119 PolarHBondContact NE-OE2 3.46Å; R32-E119 VanDerWaalsContact NH2-CD 3.29Å; R32-E119 IonicContact NH2-OE1 3.69Å; R32-E119 PolarHBondContact NH2-OE1 3.47Å; R32-E119 IonicContact NH2-OE2 2.74Å; R32-E119 PolarHBondContact NH2-OE2 2.81Å; R32-Y187 HydrophobicContact CB-CD2 4.21Å; R32-Y187 WeakPolarHBondContact O-CD2 3.32Å; R32-Y187 PolarHBondContact O-N 2.87Å
33S97.9Very high95.4Very high21 Ų2146.6 Ų46.615%0.14723%0.23CC..EExtended strand (participates in β ladder)trans-126152.5175.4-610000111.5L29 V184 P186L29-S33 WeakPolarHBondContact O-CB 3.41Å; L29-S33 PolarHBondContact O-N 3.48Å; L29-S33 PolarHBondContact O-OG 3.32Å; S33-V184 VanDerWaalsContact CB-CG2 3.48Å; S33-P186 WeakPolarHBondContact OG-CB 3.33Å
34T97.8Very high95Very high34 Ų3450 Ų5021%0.20925%0.251CS..EExtended strand (participates in β ladder)trans-140.4171.8176.5-176.10000109.9F37 F177 Q185T34-F37 HydrophobicContact CG2-CD2 4.47Å; T34-F37 HydrophobicContact CG2-CE2 3.66Å; T34-F177 HydrophobicContact CG2-CD1 4.29Å; T34-F177 HydrophobicContact CG2-CE1 3.78Å; T34-F177 HydrophobicContact CG2-CZ 4.22Å; T34-Q185 HydrophobicContact CG2-CB 4.48Å; T34-Q185 WeakPolarHBondContact CG2-O 3.22Å; T34-Q185 PolarHBondContact N-O 3.05Å; T34-Q185 VanDerWaalsContact N-O 3.13Å; T34-Q185 PolarHBondContact O-N 3.26Å
35G97.8Very high94.8Very high1 Ų154.7 Ų54.71%0.0127%0.269CS..PPolyproline II helixtrans-68.2161.8174.700000111.1F37 G48G35-F37 PolarHBondContact O-N 3.04Å; G35-G48 WeakPolarHBondContact CA-O 3.22Å
36K97.2Very high94.7Very high46 Ų4657.5 Ų57.520%0.229%0.289CS..PPolyproline II helixtrans-64.8137.1178.7-65.9-164.368.771.20111.3H38 G48 T179 L181 K182 Q185K36-H38 PolarHBondContact O-CD2 3.39Å; K36-G48 PolarHBondContact O-N 3.26Å; K36-T179 PolarHBondContact NZ-O 2.89Å; K36-L181 WeakPolarHBondContact CE-O 3.15Å; K36-L181 PolarHBondContact NZ-O 3.22Å; K36-K182 WeakPolarHBondContact CD-O 3.48Å; K36-Q185 HydrophobicContact CG-CB 4.43Å
37F95.9Very high94.6Very high18 Ų1861 Ų618%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-81.3130.9175.8-77.5-118.4000109.6T34 G35 Y39 Y45 I47 M167 F177T34-F37 HydrophobicContact CG2-CD2 4.47Å; T34-F37 HydrophobicContact CG2-CE2 3.66Å; G35-F37 PolarHBondContact O-N 3.04Å; F37-Y39 HydrophobicContact CB-CD2 4.04Å; F37-Y39 HydrophobicContact CB-CE2 3.52Å; F37-Y39 HydrophobicContact CD1-CE1 4.46Å; F37-Y39 HydrophobicContact CD1-CE2 4.03Å; F37-Y39 AromaticContact CD1-CZ 3.74Å; F37-Y39 WeakPolarHBondContact CD1-OH 3.35Å; F37-Y39 HydrophobicContact CG-CE2 4.15Å; F37-Y45 AromaticContact CD1-CD2 3.71Å; F37-Y45 HydrophobicContact CD1-CD2 3.71Å; F37-Y45 HydrophobicContact CD1-CE2 4.1Å; F37-Y45 AromaticContact CD1-CG 3.97Å; F37-Y45 HydrophobicContact CD1-CG 3.97Å; F37-Y45 AromaticContact CE1-CD2 3.78Å; F37-Y45 HydrophobicContact CE1-CD2 3.78Å; F37-Y45 AromaticContact CE1-CE2 3.67Å; F37-Y45 HydrophobicContact CE1-CE2 3.67Å; F37-Y45 HydrophobicContact CE1-CG 4.31Å; F37-I47 HydrophobicContact CE1-CD1 4.31Å; F37-I47 HydrophobicContact CE1-CG1 4.3Å; F37-I47 HydrophobicContact CE2-CD1 4.39Å; F37-I47 HydrophobicContact CE2-CG1 4.4Å; F37-I47 HydrophobicContact CZ-CD1 3.98Å; F37-I47 HydrophobicContact CZ-CG1 4.24Å; F37-M167 HydrophobicContact CE1-SD 4.2Å; F37-M167 HydrophobicContact CZ-SD 3.77Å; F37-F177 HydrophobicContact CE2-CE2 4.02Å; F37-F177 HydrophobicContact CE2-CZ 4.18Å; F37-F177 HydrophobicContact CZ-CE2 4.04Å; F37-F177 HydrophobicContact CZ-CZ 4.24Å
38H95.3Very high94.5Very high106 Ų10662 Ų6249%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-116.494.8172.3-60.7-80.3000108.9K36 Y45 S46K36-H38 PolarHBondContact O-CD2 3.39Å; H38-Y45 VanDerWaalsContact O-CA 3.32Å; H38-Y45 WeakPolarHBondContact O-CA 3.38Å; H38-S46 PolarHBondContact N-O 3.05Å; H38-S46 PolarHBondContact O-N 3.3Å; H38-S46 VanDerWaalsContact O-N 3.11Å
39Y93.7Very high94.4Very high39 Ų3968.4 Ų68.415%0.15336%0.358CS..EExtended strand (participates in β ladder)trans-77141.6179.9-68.7-88.5000111.6F37 Y45 P168 Q170 A173F37-Y39 HydrophobicContact CB-CD2 4.04Å; F37-Y39 HydrophobicContact CB-CE2 3.52Å; F37-Y39 HydrophobicContact CD1-CE1 4.46Å; F37-Y39 HydrophobicContact CD1-CE2 4.03Å; F37-Y39 AromaticContact CD1-CZ 3.74Å; F37-Y39 WeakPolarHBondContact CD1-OH 3.35Å; F37-Y39 HydrophobicContact CG-CE2 4.15Å; Y39-Y45 HydrophobicContact CD1-CD1 4.29Å; Y39-Y45 HydrophobicContact CD1-CG 4.45Å; Y39-Y45 AromaticContact CE1-CD1 3.9Å; Y39-Y45 HydrophobicContact CE1-CD1 3.9Å; Y39-Y45 HydrophobicContact CE1-CG 4.24Å; Y39-P168 PolarHBondContact OH-O 3.23Å; Y39-Q170 HydrophobicContact CD1-CB 3.82Å; Y39-Q170 HydrophobicContact CD2-CB 3.91Å; Y39-Q170 HydrophobicContact CD2-CG 3.85Å; Y39-Q170 HydrophobicContact CE1-CB 4.3Å; Y39-Q170 HydrophobicContact CE2-CB 4.38Å; Y39-Q170 HydrophobicContact CG-CB 3.6Å; Y39-Q170 HydrophobicContact CG-CG 3.84Å; Y39-A173 HydrophobicContact CE2-CB 4.15Å
40K92.1Very high94.4Very high128 Ų12870.5 Ų70.556%0.55737%0.371SS*.  trans-104159.9171.5-60.1-178.2-178.2178.20109.7E42 G43 T44K40-E42 PolarHBondContact O-N 3.5Å; K40-G43 PolarHBondContact O-N 3.26Å; K40-T44 PolarHBondContact N-O 3.04Å
41K83.7Confident94.3Very high218 Ų21870 Ų7095%0.94838%0.378SS*.THydrogen-bonded Turntrans-56.6-24.4-177-69.8-174.2177.5-178.70114.3G43K41-G43 VanDerWaalsContact C-N 3.27Å; K41-G43 PolarHBondContact O-N 3.37Å
42E85.1Confident94.4Very high175 Ų17570.6 Ų70.682%0.81839%0.387SS*.THydrogen-bonded Turntrans-84.94.1179.9-65160.6-164.200113.2K40 T44K40-E42 PolarHBondContact O-N 3.5Å; E42-T44 VanDerWaalsContact C-N 3.26Å; E42-T44 PolarHBondContact O-N 2.85Å
43G82.3Confident94.4Very high53 Ų5374.3 Ų74.355%0.54640%0.404SS..SBendtrans83.6-5.5-178.400000114.6K40 K41K40-G43 PolarHBondContact O-N 3.26Å; K41-G43 VanDerWaalsContact C-N 3.27Å; K41-G43 PolarHBondContact O-N 3.37Å
44T90.8Very high94.4Very high71 Ų7179 Ų7944%0.43643%0.428SS..  trans-72.5154.5170.857.90000111K40 E42K40-T44 PolarHBondContact N-O 3.04Å; E42-T44 VanDerWaalsContact C-N 3.26Å; E42-T44 PolarHBondContact O-N 2.85Å
45Y94.6Very high94.5Very high98 Ų9878.6 Ų78.638%0.38442%0.424SS..EExtended strand (participates in β ladder)trans-140.6154.7178.358.5-94.7000112F37 H38 Y39 I47F37-Y45 AromaticContact CD1-CD2 3.71Å; F37-Y45 HydrophobicContact CD1-CD2 3.71Å; F37-Y45 HydrophobicContact CD1-CE2 4.1Å; F37-Y45 AromaticContact CD1-CG 3.97Å; F37-Y45 HydrophobicContact CD1-CG 3.97Å; F37-Y45 AromaticContact CE1-CD2 3.78Å; F37-Y45 HydrophobicContact CE1-CD2 3.78Å; F37-Y45 AromaticContact CE1-CE2 3.67Å; F37-Y45 HydrophobicContact CE1-CE2 3.67Å; F37-Y45 HydrophobicContact CE1-CG 4.31Å; H38-Y45 VanDerWaalsContact O-CA 3.32Å; H38-Y45 WeakPolarHBondContact O-CA 3.38Å; Y39-Y45 HydrophobicContact CD1-CD1 4.29Å; Y39-Y45 HydrophobicContact CD1-CG 4.45Å; Y39-Y45 AromaticContact CE1-CD1 3.9Å; Y39-Y45 HydrophobicContact CE1-CD1 3.9Å; Y39-Y45 HydrophobicContact CE1-CG 4.24Å; Y45-I47 HydrophobicContact CD2-CD1 4.44Å; Y45-I47 HydrophobicContact CD2-CG1 3.93Å; Y45-I47 HydrophobicContact CE2-CD1 3.99Å; Y45-I47 HydrophobicContact CE2-CG1 3.98Å
46S95.9Very high94.5Very high60 Ų6084.1 Ų84.142%0.4245%0.453SS..EExtended strand (participates in β ladder)trans-111.1151.1161.255.70000109.8H38H38-S46 PolarHBondContact N-O 3.05Å; H38-S46 PolarHBondContact O-N 3.3Å; H38-S46 VanDerWaalsContact O-N 3.11Å
47I96.8Very high94.6Very high75 Ų7582.6 Ų82.639%0.38545%0.448SS..EExtended strand (participates in β ladder)trans-108.9129176.8-56.1178.8000107.5F37 Y45F37-I47 HydrophobicContact CE1-CD1 4.31Å; F37-I47 HydrophobicContact CE1-CG1 4.3Å; F37-I47 HydrophobicContact CE2-CD1 4.39Å; F37-I47 HydrophobicContact CE2-CG1 4.4Å; F37-I47 HydrophobicContact CZ-CD1 3.98Å; F37-I47 HydrophobicContact CZ-CG1 4.24Å; Y45-I47 HydrophobicContact CD2-CD1 4.44Å; Y45-I47 HydrophobicContact CD2-CG1 3.93Å; Y45-I47 HydrophobicContact CE2-CD1 3.99Å; Y45-I47 HydrophobicContact CE2-CG1 3.98Å
48G96.4Very high94.7Very high29 Ų2987.8 Ų87.830%0.29948%0.477SS..  trans-65174174.200000113G35 K36G35-G48 WeakPolarHBondContact CA-O 3.22Å; K36-G48 PolarHBondContact O-N 3.26Å
49T96.9Very high94.8Very high135 Ų13586.6 Ų86.683%0.82847%0.47SS*.PPolyproline II helixtrans-86.8145174.4-52.20000110.3
50V97.6Very high95Very high44 Ų4484.8 Ų84.827%0.26746%0.463SS..PPolyproline II helixtrans-103.3121171.5-176.60000108.2V67 V184V50-V67 HydrophobicContact CG1-CB 4.47Å; V50-V67 HydrophobicContact CG1-CG1 3.76Å; V50-V67 HydrophobicContact CG1-CG2 4.11Å; V50-V184 HydrophobicContact CG1-CG2 4.41Å
51G97.8Very high95.3Very high37 Ų3781.9 Ų81.938%0.38145%0.454SS..PPolyproline II helixtrans-77.4153.1170.400000111.6S68G51-S68 PolarHBondContact O-N 3.02Å; G51-S68 PolarHBondContact O-OG 2.96Å
52T98.4Very high96.1Very high86 Ų8673.4 Ų73.453%0.52842%0.417SS..EExtended strand (participates in β ladder)trans-128.7153.2174.754.90000111.2L30 V65 R66 S68L30-T52 HydrophobicContact CD1-CG2 3.69Å; T52-V65 HydrophobicContact CG2-CG1 4.2Å; T52-R66 CarbonylContact C-O 3.56Å; T52-R66 VanDerWaalsContact CA-O 3.29Å; T52-R66 WeakPolarHBondContact CA-O 3.45Å; T52-S68 WeakPolarHBondContact CA-OG 3.02Å; T52-S68 PolarHBondContact N-OG 3.47Å; T52-S68 VanDerWaalsContact N-OG 3.13Å; T52-S68 PolarHBondContact O-OG 3.44Å
53Q98.4Very high96.7Very high86 Ų8668 Ų6840%0.40240%0.399SS..EExtended strand (participates in β ladder)trans-139.6134.9178.9-177.51777.800110.8I55 V65 R66Q53-I55 HydrophobicContact CG-CD1 3.86Å; Q53-V65 WeakPolarHBondContact O-CA 3.28Å; Q53-R66 PolarHBondContact N-O 2.77Å; Q53-R66 PolarHBondContact O-N 2.74Å
54D98.5Very high97.5Very high120 Ų12065.9 Ų65.964%0.64238%0.375SS*.EExtended strand (participates in β ladder)trans-76.8134.2168.4-60.3-52.8000110.3V65D54-V65 WeakPolarHBondContact OD1-CG2 3.42Å
55I98.6Very high97.8Very high26 Ų2664.9 Ų64.913%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-125.7116.8179.9-53-63.8000108Q53 S63 F64 R66Q53-I55 HydrophobicContact CG-CD1 3.86Å; I55-S63 CarbonylContact O-C 3.45Å; I55-S63 WeakPolarHBondContact O-CA 3.47Å; I55-F64 HydrophobicContact CB-CD1 4.16Å; I55-F64 HydrophobicContact CB-CD2 4.34Å; I55-F64 HydrophobicContact CB-CE1 3.78Å; I55-F64 HydrophobicContact CB-CE2 3.97Å; I55-F64 HydrophobicContact CB-CG 4.44Å; I55-F64 HydrophobicContact CB-CZ 3.68Å; I55-F64 HydrophobicContact CG1-CE2 4.02Å; I55-F64 HydrophobicContact CG1-CZ 4.1Å; I55-F64 HydrophobicContact CG2-CD1 4.41Å; I55-F64 HydrophobicContact CG2-CE1 3.62Å; I55-F64 HydrophobicContact CG2-CE2 4.36Å; I55-F64 HydrophobicContact CG2-CZ 3.59Å; I55-F64 PolarHBondContact N-O 3.28Å; I55-F64 PolarHBondContact O-N 2.95Å; I55-R66 HydrophobicContact CD1-CG 4.29Å; I55-R66 HydrophobicContact CG1-CG 3.81Å
56D98.7Very high98Very high117 Ų11760.9 Ų60.963%0.62635%0.352SS*.EExtended strand (participates in β ladder)trans-80.3138173.1-62-35.9000110S63D56-S63 WeakPolarHBondContact OD1-CB 3.34Å; D56-S63 PolarHBondContact OD1-OG 2.9Å
57C98.6Very high98.1Very high14 Ų1458.1 Ų58.110%0.09533%0.333CS..  trans-85.1139.2171.6-65.30000110.1E19 I60 F62E19-C57 HydrophobicContact CB-CB 4.33Å; E19-C57 HydrophobicContact CG-CB 4.36Å; E19-C57 WeakPolarHBondContact OE2-CB 3.34Å; C57-I60 HydrophobicContact CB-CB 3.93Å; C57-I60 VanDerWaalsContact CB-O 3.23Å; C57-I60 WeakPolarHBondContact CB-O 3.35Å; C57-F62 VanDerWaalsContact CB-O 3.27Å; C57-F62 WeakPolarHBondContact CB-O 3.26Å; C57-F62 PolarHBondContact N-O 3.47Å; C57-F62 PolarHBondContact SG-O 2.85Å
58D98.3Very high98.2Very high127 Ų12756.8 Ų56.868%0.67933%0.33SS*.SBendtrans-84.5-32.5177.5-67.5-37.3000111.6E19E19-D58 WeakPolarHBondContact OE1-CA 3.34Å; E19-D58 WeakPolarHBondContact OE1-CB 3.47Å; E19-D58 PolarHBondContact OE1-N 2.82Å
59F97.7Very high98.3Very high80 Ų8055.4 Ų55.435%0.35132%0.316SS..SBendtrans-109.3-1.1-175.4-53.8-69.4000114R15 Q16 E19 R140R15-F59 HydrophobicContact CB-CD1 4.46Å; R15-F59 HydrophobicContact CB-CG 4.39Å; R15-F59 HydrophobicContact CG-CB 4.24Å; R15-F59 HydrophobicContact CG-CD1 4.08Å; R15-F59 HydrophobicContact CG-CG 4.12Å; Q16-F59 HydrophobicContact CG-CB 3.93Å; Q16-F59 WeakPolarHBondContact CG-O 3.4Å; Q16-F59 PolarHBondContact NE2-O 3.49Å; E19-F59 PolarHBondContact OE1-N 3.43Å; E19-F59 WeakPolarHBondContact OE2-CA 3.39Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 2.89Å; F59-R140 WeakPolarHBondContact O-CG 3.35Å
60I98.6Very high98.3Very high1 Ų153.5 Ų53.51%0.00530%0.301CS..SBendtrans-132.9139.6178.5-53173000107.5Q16 E19 A20 C57 F62 V143 L147Q16-I60 HydrophobicContact CB-CD1 3.97Å; Q16-I60 HydrophobicContact CB-CG1 3.87Å; Q16-I60 HydrophobicContact CG-CD1 4.44Å; Q16-I60 HydrophobicContact CG-CG1 3.78Å; E19-I60 HydrophobicContact CB-CD1 3.72Å; E19-I60 HydrophobicContact CB-CG1 4.36Å; E19-I60 PolarHBondContact OE2-N 3.45Å; A20-I60 HydrophobicContact CB-CD1 4.01Å; C57-I60 HydrophobicContact CB-CB 3.93Å; C57-I60 VanDerWaalsContact CB-O 3.23Å; C57-I60 WeakPolarHBondContact CB-O 3.35Å; I60-F62 HydrophobicContact CB-CB 4.44Å; I60-F62 HydrophobicContact CG2-CB 3.79Å; I60-F62 PolarHBondContact O-N 3.37Å; I60-V143 HydrophobicContact CD1-CG1 3.86Å; I60-V143 HydrophobicContact CG1-CG1 4.09Å; I60-V143 HydrophobicContact CG2-CB 4.11Å; I60-V143 HydrophobicContact CG2-CG1 3.75Å; I60-L147 HydrophobicContact CD1-CD1 3.86Å; I60-L147 HydrophobicContact CG2-CD1 4.07Å
61D98.4Very high98.4Very high68 Ų6853.8 Ų53.836%0.36430%0.299SS..SBendtrans-80.871176.9-66.4-3.7000109.3R140 E141D61-R140 PolarHBondContact N-O 2.84Å; D61-R140 IonicContact OD1-CZ 3.27Å; D61-R140 VanDerWaalsContact OD1-CZ 3.27Å; D61-R140 IonicContact OD1-NE 3.28Å; D61-R140 PolarHBondContact OD1-NE 3.36Å; D61-R140 IonicContact OD1-NH2 2.76Å; D61-R140 PolarHBondContact OD1-NH2 3.1Å; D61-E141 WeakPolarHBondContact OD2-CG 3.03Å
62F98.7Very high98.4Very high39 Ų3952 Ų5217%0.17128%0.281CS..  trans-155151.3-173-165.2-110.1000111.2A23 C57 I60 F64 G144 L147 V151A23-F62 HydrophobicContact CB-CD1 4.37Å; A23-F62 HydrophobicContact CB-CE1 4.18Å; C57-F62 VanDerWaalsContact CB-O 3.27Å; C57-F62 WeakPolarHBondContact CB-O 3.26Å; C57-F62 PolarHBondContact N-O 3.47Å; C57-F62 PolarHBondContact SG-O 2.85Å; I60-F62 HydrophobicContact CB-CB 4.44Å; I60-F62 HydrophobicContact CG2-CB 3.79Å; I60-F62 PolarHBondContact O-N 3.37Å; F62-F64 HydrophobicContact CD1-CB 4.41Å; F62-F64 HydrophobicContact CE1-CB 3.96Å; F62-G144 WeakPolarHBondContact CD2-O 3.37Å; F62-L147 HydrophobicContact CB-CD1 4.41Å; F62-L147 HydrophobicContact CD1-CB 3.99Å; F62-L147 HydrophobicContact CD1-CD1 3.83Å; F62-L147 HydrophobicContact CD2-CB 4.08Å; F62-L147 HydrophobicContact CE1-CB 3.92Å; F62-L147 HydrophobicContact CE1-CD1 4.36Å; F62-L147 HydrophobicContact CE2-CB 4.04Å; F62-L147 HydrophobicContact CG-CB 4.07Å; F62-L147 HydrophobicContact CG-CD1 4.17Å; F62-L147 HydrophobicContact CZ-CB 3.96Å; F62-V151 HydrophobicContact CE1-CG2 4.44Å; F62-V151 HydrophobicContact CZ-CG2 3.98Å
63S98.7Very high98.4Very high62 Ų6248.6 Ų48.643%0.43426%0.26SS..EExtended strand (participates in β ladder)trans-129.5141.1168.9-48.60000108.8I55 D56I55-S63 CarbonylContact O-C 3.45Å; I55-S63 WeakPolarHBondContact O-CA 3.47Å; D56-S63 WeakPolarHBondContact OD1-CB 3.34Å; D56-S63 PolarHBondContact OD1-OG 2.9Å
64F98.6Very high98.4Very high9 Ų951.3 Ų51.34%0.03927%0.266CS..EExtended strand (participates in β ladder)trans-125.9155.3178.368.5-88.4000111.8L22 A23 H26 I55 F62 R66L22-F64 HydrophobicContact CB-CZ 4.07Å; A23-F64 HydrophobicContact CB-CB 3.91Å; A23-F64 HydrophobicContact CB-CD1 3.71Å; A23-F64 HydrophobicContact CB-CE1 4.34Å; A23-F64 HydrophobicContact CB-CG 3.82Å; H26-F64 HydrophobicContact CB-CD2 4.07Å; H26-F64 HydrophobicContact CB-CE2 3.94Å; H26-F64 AromaticContact CD2-CE2 3.64Å; I55-F64 HydrophobicContact CB-CD1 4.16Å; I55-F64 HydrophobicContact CB-CD2 4.34Å; I55-F64 HydrophobicContact CB-CE1 3.78Å; I55-F64 HydrophobicContact CB-CE2 3.97Å; I55-F64 HydrophobicContact CB-CG 4.44Å; I55-F64 HydrophobicContact CB-CZ 3.68Å; I55-F64 HydrophobicContact CG1-CE2 4.02Å; I55-F64 HydrophobicContact CG1-CZ 4.1Å; I55-F64 HydrophobicContact CG2-CD1 4.41Å; I55-F64 HydrophobicContact CG2-CE1 3.62Å; I55-F64 HydrophobicContact CG2-CE2 4.36Å; I55-F64 HydrophobicContact CG2-CZ 3.59Å; I55-F64 PolarHBondContact N-O 3.28Å; I55-F64 PolarHBondContact O-N 2.95Å; F62-F64 HydrophobicContact CD1-CB 4.41Å; F62-F64 HydrophobicContact CE1-CB 3.96Å; F64-R66 HydrophobicContact CD2-CB 4.5Å; F64-R66 HydrophobicContact CE2-CB 4.22Å
65V98.6Very high98.4Very high50 Ų5047.7 Ų47.730%0.30325%0.253SS..EExtended strand (participates in β ladder)trans-96.4134.6175.8-173.40000109.3L30 T52 Q53 D54L30-V65 HydrophobicContact CD2-CB 4.18Å; L30-V65 HydrophobicContact CD2-CG1 3.98Å; T52-V65 HydrophobicContact CG2-CG1 4.2Å; Q53-V65 WeakPolarHBondContact O-CA 3.28Å; D54-V65 WeakPolarHBondContact OD1-CG2 3.42Å
66R98.4Very high98.4Very high13 Ų1346.5 Ų46.55%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-125.2163.8168.867.3172.4-178.287.6-6.6111.9H26 T52 Q53 I55 F64H26-R66 HydrophobicContact CB-CB 3.73Å; T52-R66 CarbonylContact C-O 3.56Å; T52-R66 VanDerWaalsContact CA-O 3.29Å; T52-R66 WeakPolarHBondContact CA-O 3.45Å; Q53-R66 PolarHBondContact N-O 2.77Å; Q53-R66 PolarHBondContact O-N 2.74Å; I55-R66 HydrophobicContact CD1-CG 4.29Å; I55-R66 HydrophobicContact CG1-CG 3.81Å; F64-R66 HydrophobicContact CD2-CB 4.5Å; F64-R66 HydrophobicContact CE2-CB 4.22Å
67V98.3Very high98.3Very high3 Ų346.1 Ų46.12%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-62.6137.4165.8175.70000109.8L30 V50 S69 L72 V184L30-V67 HydrophobicContact CD1-CG2 3.98Å; V50-V67 HydrophobicContact CG1-CB 4.47Å; V50-V67 HydrophobicContact CG1-CG1 3.76Å; V50-V67 HydrophobicContact CG1-CG2 4.11Å; V67-S69 PolarHBondContact O-N 3.04Å; V67-L72 HydrophobicContact CB-CD2 4.38Å; V67-V184 HydrophobicContact CG1-CB 3.8Å; V67-V184 HydrophobicContact CG1-CG1 4.09Å; V67-V184 HydrophobicContact CG1-CG2 3.8Å
68S98.3Very high98.3Very high46 Ų4650.9 Ų50.932%0.32226%0.256SS..SBendtrans-72.366.8171.3-56.80000111.5G51 T52G51-S68 PolarHBondContact O-N 3.02Å; G51-S68 PolarHBondContact O-OG 2.96Å; T52-S68 WeakPolarHBondContact CA-OG 3.02Å; T52-S68 PolarHBondContact N-OG 3.47Å; T52-S68 VanDerWaalsContact N-OG 3.13Å; T52-S68 PolarHBondContact O-OG 3.44Å
69S98.2Very high98.3Very high1 Ų145.4 Ų45.41%0.00723%0.228CC..  trans-137.3110.2174.4171.60000110V67 E71 L72 D73V67-S69 PolarHBondContact O-N 3.04Å; S69-E71 VanDerWaalsContact C-N 3.29Å; S69-E71 PolarHBondContact O-N 3.01Å; S69-L72 PolarHBondContact O-N 2.91Å; S69-L72 WeakPolarHBondContact OG-CB 3.4Å; S69-L72 PolarHBondContact OG-N 2.85Å; S69-D73 WeakPolarHBondContact O-CB 3.4Å; S69-D73 PolarHBondContact O-N 3.49Å
70D98Very high98.3Very high94 Ų9441.6 Ų41.650%0.50321%0.212SC..Hα-helixtrans-70.2-29.6179.4-64.3-19000111.9R74D70-R74 VanDerWaalsContact O-CB 3.31Å; D70-R74 WeakPolarHBondContact O-CB 3.29Å; D70-R74 VanDerWaalsContact O-CG 3.23Å; D70-R74 WeakPolarHBondContact O-CG 3.49Å; D70-R74 PolarHBondContact O-N 2.97Å
71E97.9Very high98.1Very high50 Ų5042.6 Ų42.623%0.23422%0.222CC..Hα-helixtrans-66.1-43175.2-71.1175.2-178.700111.1S69 A75 L181 K182S69-E71 VanDerWaalsContact C-N 3.29Å; S69-E71 PolarHBondContact O-N 3.01Å; E71-A75 PolarHBondContact O-N 3.22Å; E71-L181 HydrophobicContact CB-CD2 3.8Å; E71-L181 WeakPolarHBondContact OE2-CA 3.22Å; E71-K182 IonicContact OE1-NZ 2.77Å; E71-K182 PolarHBondContact OE2-N 3.13Å
72L98.2Very high98Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-65.3-51.4174.7-176.558.5000110.4L29 V67 S69 R74 A75 I76 L181 V184 Y189L29-L72 HydrophobicContact CD1-CD1 4.29Å; V67-L72 HydrophobicContact CB-CD2 4.38Å; S69-L72 PolarHBondContact O-N 2.91Å; S69-L72 WeakPolarHBondContact OG-CB 3.4Å; S69-L72 PolarHBondContact OG-N 2.85Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.17Å; L72-A75 WeakPolarHBondContact O-CB 3.12Å; L72-A75 PolarHBondContact O-N 3.42Å; L72-I76 HydrophobicContact CD1-CD1 4.16Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CG1 4.43Å; L72-I76 WeakPolarHBondContact O-CG1 3.27Å; L72-I76 PolarHBondContact O-N 3.44Å; L72-L181 HydrophobicContact CB-CD1 4.11Å; L72-L181 HydrophobicContact CD1-CD1 4.27Å; L72-V184 HydrophobicContact CD2-CG1 4.26Å; L72-Y189 HydrophobicContact CD1-CE1 4.15Å; L72-Y189 VanDerWaalsContact CD1-OH 3.28Å; L72-Y189 WeakPolarHBondContact CD1-OH 3.48Å
73D98.6Very high97.8Very high14 Ų1440.1 Ų40.18%0.07521%0.209CC..Hα-helixtrans-57-44.8-179.1-17552.3000112.5H26 S69 A75 I76 R77H26-D73 IonicContact CD2-OD1 3.97Å; H26-D73 IonicContact CE1-OD1 2.7Å; H26-D73 PolarHBondContact CE1-OD1 2.99Å; H26-D73 IonicContact NE2-OD1 3.56Å; H26-D73 PolarHBondContact NE2-OD1 2.96Å; S69-D73 WeakPolarHBondContact O-CB 3.4Å; S69-D73 PolarHBondContact O-N 3.49Å; D73-A75 VanDerWaalsContact C-N 3.3Å; D73-A75 PolarHBondContact O-N 2.86Å; D73-I76 PolarHBondContact O-N 3.15Å; D73-R77 VanDerWaalsContact CG-NE 3.34Å; D73-R77 WeakPolarHBondContact O-CB 3.48Å; D73-R77 WeakPolarHBondContact O-CG 3.46Å; D73-R77 PolarHBondContact O-N 2.91Å; D73-R77 IonicContact OD1-CZ 2.93Å; D73-R77 IonicContact OD1-NE 2.82Å; D73-R77 PolarHBondContact OD1-NE 2.9Å; D73-R77 IonicContact OD1-NH2 2.81Å; D73-R77 WeakPolarHBondContact OD2-CD 3.47Å; D73-R77 IonicContact OD2-CZ 3.54Å; D73-R77 IonicContact OD2-NE 3.78Å; D73-R77 PolarHBondContact OD2-NE 2.91Å; D73-R77 IonicContact OD2-NH2 3.17Å
74R98.4Very high97.4Very high143 Ų14339.8 Ų39.854%0.5420%0.199SC..Hα-helixtrans-59-40.2174.5-76.7-171.3-57.2-97.92.1112.7D70 L72 K78D70-R74 VanDerWaalsContact O-CB 3.31Å; D70-R74 WeakPolarHBondContact O-CB 3.29Å; D70-R74 VanDerWaalsContact O-CG 3.23Å; D70-R74 WeakPolarHBondContact O-CG 3.49Å; D70-R74 PolarHBondContact O-N 2.97Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.17Å; R74-K78 VanDerWaalsContact O-CB 3.26Å; R74-K78 WeakPolarHBondContact O-CB 3.19Å; R74-K78 PolarHBondContact O-N 3.43Å
75A97.9Very high97.1Very high44 Ų4444.7 Ų44.736%0.36423%0.226SC..Hα-helixtrans-66.5-41.2178.700000111.8E71 L72 D73 A79E71-A75 PolarHBondContact O-N 3.22Å; L72-A75 WeakPolarHBondContact O-CB 3.12Å; L72-A75 PolarHBondContact O-N 3.42Å; D73-A75 VanDerWaalsContact C-N 3.3Å; D73-A75 PolarHBondContact O-N 2.86Å; A75-A79 PolarHBondContact O-N 3.41Å
76I98.4Very high96.7Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-68.7-47.6177.9-52.2-47.9000110.6L22 L25 L29 L72 D73 K78 A79 V80 Y189 I191L22-I76 HydrophobicContact CD2-CB 4.37Å; L22-I76 HydrophobicContact CD2-CG2 3.83Å; L25-I76 HydrophobicContact CB-CG2 3.92Å; L25-I76 HydrophobicContact CD1-CG2 3.79Å; L29-I76 HydrophobicContact CD1-CD1 3.35Å; L29-I76 HydrophobicContact CD1-CG1 3.66Å; L72-I76 HydrophobicContact CD1-CD1 4.16Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CG1 4.43Å; L72-I76 WeakPolarHBondContact O-CG1 3.27Å; L72-I76 PolarHBondContact O-N 3.44Å; D73-I76 PolarHBondContact O-N 3.15Å; I76-K78 VanDerWaalsContact C-N 3.29Å; I76-K78 PolarHBondContact O-N 2.85Å; I76-A79 PolarHBondContact O-N 3.3Å; I76-A79 VanDerWaalsContact O-N 3.14Å; I76-V80 HydrophobicContact CG2-CG2 4.26Å; I76-V80 WeakPolarHBondContact O-CG2 3.27Å; I76-V80 PolarHBondContact O-N 3.02Å; I76-Y189 HydrophobicContact CD1-CE2 4.03Å; I76-I191 HydrophobicContact CD1-CD1 3.55Å
77R98.6Very high96.1Very high109 Ų10944.9 Ų44.941%0.41123%0.232SC..Hα-helixtrans-58-40.8176.6-73.3180-176.8-81-3.1112.6L22 D73 V80 G81L22-R77 HydrophobicContact CD1-CG 4.08Å; L22-R77 HydrophobicContact CD2-CG 3.68Å; D73-R77 VanDerWaalsContact CG-NE 3.34Å; D73-R77 WeakPolarHBondContact O-CB 3.48Å; D73-R77 WeakPolarHBondContact O-CG 3.46Å; D73-R77 PolarHBondContact O-N 2.91Å; D73-R77 IonicContact OD1-CZ 2.93Å; D73-R77 IonicContact OD1-NE 2.82Å; D73-R77 PolarHBondContact OD1-NE 2.9Å; D73-R77 IonicContact OD1-NH2 2.81Å; D73-R77 WeakPolarHBondContact OD2-CD 3.47Å; D73-R77 IonicContact OD2-CZ 3.54Å; D73-R77 IonicContact OD2-NE 3.78Å; D73-R77 PolarHBondContact OD2-NE 2.91Å; D73-R77 IonicContact OD2-NH2 3.17Å; R77-V80 PolarHBondContact O-N 3.28Å; R77-G81 PolarHBondContact O-N 3.13Å
78K98.1Very high95.1Very high114 Ų11446.2 Ų46.250%0.49625%0.247SC..Hα-helixtrans-59.6-49.6175.2-177.8-179.8175.5-67.60111.1R74 I76 V80 G81 E82R74-K78 VanDerWaalsContact O-CB 3.26Å; R74-K78 WeakPolarHBondContact O-CB 3.19Å; R74-K78 PolarHBondContact O-N 3.43Å; I76-K78 VanDerWaalsContact C-N 3.29Å; I76-K78 PolarHBondContact O-N 2.85Å; K78-V80 PolarHBondContact O-N 2.84Å; K78-G81 PolarHBondContact O-N 2.77Å; K78-E82 WeakPolarHBondContact CE-OE1 3.24Å; K78-E82 IonicContact NZ-OE1 2.75Å; K78-E82 PolarHBondContact NZ-OE1 2.9Å; K78-E82 IonicContact NZ-OE2 2.68Å; K78-E82 PolarHBondContact NZ-OE2 2.79Å; K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 VanDerWaalsContact O-CG 3.3Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.4Å
79A97.6Very high93.5Very high12 Ų1251.1 Ų51.110%0.09927%0.269CS..Hα-helixtrans-64.2-39.1179.600000112.8A75 I76 F83 I191A75-A79 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 3.3Å; I76-A79 VanDerWaalsContact O-N 3.14Å; A79-F83 WeakPolarHBondContact O-CB 3.34Å; A79-F83 PolarHBondContact O-N 3.24Å; A79-I191 HydrophobicContact CB-CB 4.29Å; A79-I191 HydrophobicContact CB-CD1 4.22Å; A79-I191 HydrophobicContact CB-CG2 3.93Å
80V97.5Very high91.6Very high1 Ų152.8 Ų52.81%0.00629%0.286CS..Hα-helixtrans-67.5-42.7176.1172.20000111.3D18 M21 L22 L25 I76 R77 K78 F83 K84 I97D18-V80 HydrophobicContact CB-CG1 4.33Å; D18-V80 WeakPolarHBondContact OD1-CG1 3.35Å; M21-V80 HydrophobicContact CB-CG1 3.85Å; M21-V80 HydrophobicContact CB-CG2 3.89Å; M21-V80 HydrophobicContact CG-CG1 4.45Å; L22-V80 HydrophobicContact CD2-CG2 4.28Å; L22-V80 HydrophobicContact CG-CG2 4.47Å; L25-V80 HydrophobicContact CD1-CG2 3.63Å; I76-V80 HydrophobicContact CG2-CG2 4.26Å; I76-V80 WeakPolarHBondContact O-CG2 3.27Å; I76-V80 PolarHBondContact O-N 3.02Å; R77-V80 PolarHBondContact O-N 3.28Å; K78-V80 PolarHBondContact O-N 2.84Å; V80-F83 WeakPolarHBondContact O-CB 3.43Å; V80-F83 PolarHBondContact O-N 3.32Å; V80-K84 WeakPolarHBondContact O-CB 3.33Å; V80-K84 PolarHBondContact O-N 2.89Å; V80-I97 HydrophobicContact CG2-CD1 4.15Å
81G95.7Very high89.9Confident21 Ų2152.6 Ų52.622%0.21629%0.289CS..Hα-helixtrans-61.9-46.4175.800000112R77 K78 F83 K84 D85R77-G81 PolarHBondContact O-N 3.13Å; K78-G81 PolarHBondContact O-N 2.77Å; G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 3.49Å; G81-K84 PolarHBondContact O-N 3.36Å; G81-D85 WeakPolarHBondContact O-CB 3.25Å; G81-D85 VanDerWaalsContact O-CG 3.23Å; G81-D85 PolarHBondContact O-N 3.4Å
82E94.8Very high88.7Confident56 Ų5654.6 Ų54.626%0.26230%0.301SS..Hα-helixtrans-62.1-35.3176.3-71.6166.7143.200112.2K78 A86 F193 M207K78-E82 WeakPolarHBondContact CE-OE1 3.24Å; K78-E82 IonicContact NZ-OE1 2.75Å; K78-E82 PolarHBondContact NZ-OE1 2.9Å; K78-E82 IonicContact NZ-OE2 2.68Å; K78-E82 PolarHBondContact NZ-OE2 2.79Å; K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 VanDerWaalsContact O-CG 3.3Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.4Å; E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.41Å; E82-A86 VanDerWaalsContact O-N 3.13Å; E82-F193 HydrophobicContact CB-CE1 4.24Å; E82-M207 HydrophobicContact CB-CE 3.87Å; E82-M207 HydrophobicContact CG-CE 3.96Å; E82-M207 WeakPolarHBondContact OE1-CE 3.43Å; E82-M207 WeakPolarHBondContact OE2-CE 3.33Å
83F94.3Very high88.1Confident0 Ų055.5 Ų55.50%031%0.31CS..Hα-helixtrans-66.7-46.8172.6166.5-112.5000112.5V17 M21 A79 V80 G81 A86 M87 I97 V125 F193 I195V17-F83 HydrophobicContact CG1-CE1 4.29Å; M21-F83 HydrophobicContact CG-CD1 4.49Å; M21-F83 HydrophobicContact CG-CE1 4.26Å; M21-F83 HydrophobicContact SD-CE1 4.37Å; A79-F83 WeakPolarHBondContact O-CB 3.34Å; A79-F83 PolarHBondContact O-N 3.24Å; V80-F83 WeakPolarHBondContact O-CB 3.43Å; V80-F83 PolarHBondContact O-N 3.32Å; G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 3.49Å; F83-A86 PolarHBondContact O-N 3.18Å; F83-M87 HydrophobicContact CD1-CE 3.91Å; F83-M87 HydrophobicContact CD2-CG 4.39Å; F83-M87 HydrophobicContact CE1-CE 3.36Å; F83-M87 HydrophobicContact CE1-SD 3.75Å; F83-M87 HydrophobicContact CE2-CE 4.39Å; F83-M87 HydrophobicContact CE2-CG 3.97Å; F83-M87 HydrophobicContact CE2-SD 3.82Å; F83-M87 HydrophobicContact CZ-CE 3.66Å; F83-M87 HydrophobicContact CZ-CG 4.09Å; F83-M87 HydrophobicContact CZ-SD 3.33Å; F83-M87 WeakPolarHBondContact CZ-SD 3.38Å; F83-M87 PolarHBondContact O-N 3.44Å; F83-I97 HydrophobicContact CB-CD1 3.85Å; F83-I97 HydrophobicContact CB-CG1 4.04Å; F83-I97 HydrophobicContact CD1-CD1 3.37Å; F83-I97 HydrophobicContact CD1-CG1 3.64Å; F83-I97 HydrophobicContact CD2-CD1 4.4Å; F83-I97 HydrophobicContact CD2-CG1 3.83Å; F83-I97 HydrophobicContact CE1-CD1 3.9Å; F83-I97 HydrophobicContact CE1-CG1 3.9Å; F83-I97 HydrophobicContact CE2-CG1 4.09Å; F83-I97 HydrophobicContact CG-CD1 3.61Å; F83-I97 HydrophobicContact CG-CG1 3.55Å; F83-I97 HydrophobicContact CZ-CG1 4.09Å; F83-V125 HydrophobicContact CE1-CG1 3.74Å; F83-V125 HydrophobicContact CZ-CG1 3.49Å; F83-V125 VanDerWaalsContact CZ-CG1 3.49Å; F83-F193 HydrophobicContact CB-CB 4.29Å; F83-F193 HydrophobicContact CB-CD1 3.87Å; F83-F193 HydrophobicContact CB-CE1 4.35Å; F83-F193 HydrophobicContact CB-CG 4.02Å; F83-F193 HydrophobicContact CD2-CB 3.47Å; F83-F193 VanDerWaalsContact CD2-CB 3.47Å; F83-F193 HydrophobicContact CD2-CD1 4.42Å; F83-F193 AromaticContact CD2-CD2 3.95Å; F83-F193 HydrophobicContact CD2-CD2 3.95Å; F83-F193 AromaticContact CD2-CG 3.71Å; F83-F193 HydrophobicContact CD2-CG 3.71Å; F83-F193 HydrophobicContact CE2-CB 4.12Å; F83-F193 HydrophobicContact CG-CB 4.22Å; F83-F193 HydrophobicContact CG-CG 4.35Å; F83-I195 HydrophobicContact CD2-CD1 3.66Å; F83-I195 HydrophobicContact CE2-CD1 3.53Å
84K91.9Very high87.7Confident55 Ų5559.6 Ų59.624%0.23933%0.33CS..Hα-helixtrans-61.9-44.2178.1-179.9179.5174.7-166.90111.5V17 D18 V80 G81 A86 M87 G88V17-K84 HydrophobicContact CG1-CB 4.37Å; V17-K84 HydrophobicContact CG1-CG 4.42Å; D18-K84 WeakPolarHBondContact OD1-CD 3.17Å; D18-K84 VanDerWaalsContact OD2-CD 3.27Å; D18-K84 WeakPolarHBondContact OD2-CD 3.36Å; D18-K84 IonicContact OD2-NZ 3.86Å; D18-K84 PolarHBondContact OD2-NZ 3.46Å; V80-K84 WeakPolarHBondContact O-CB 3.33Å; V80-K84 PolarHBondContact O-N 2.89Å; G81-K84 PolarHBondContact O-N 3.36Å; K84-A86 VanDerWaalsContact C-N 3.27Å; K84-A86 PolarHBondContact O-N 2.68Å; K84-M87 PolarHBondContact O-N 2.72Å; K84-G88 PolarHBondContact O-N 2.82Å
85D91.1Very high87.5Confident112 Ų11253 Ų5360%0.59931%0.307SS*.Hα-helixtrans-59.2-40.8175.5-70.1-16.7000110.9G81 M87 G88G81-D85 WeakPolarHBondContact O-CB 3.25Å; G81-D85 VanDerWaalsContact O-CG 3.23Å; G81-D85 PolarHBondContact O-N 3.4Å; D85-M87 PolarHBondContact O-N 3.49Å; D85-G88 PolarHBondContact O-N 3.34Å
86A89.8Confident87.4Confident47 Ų4752.6 Ų52.639%0.38830%0.297SS..Hα-helixtrans-69.3-28.617800000113.9E82 F83 K84 G88 F193 I195E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.41Å; E82-A86 VanDerWaalsContact O-N 3.13Å; F83-A86 PolarHBondContact O-N 3.18Å; K84-A86 VanDerWaalsContact C-N 3.27Å; K84-A86 PolarHBondContact O-N 2.68Å; A86-G88 PolarHBondContact O-N 3.5Å; A86-F193 HydrophobicContact CB-CD2 4.42Å; A86-F193 HydrophobicContact CB-CE2 3.57Å; A86-F193 HydrophobicContact CB-CZ 3.99Å; A86-I195 HydrophobicContact CB-CD1 4.16Å; A86-I195 HydrophobicContact CB-CG1 3.96Å
87M85.7Confident87.3Confident20 Ų2052.6 Ų52.610%0.09930%0.297CS..Hα-helixtrans-72.1-13.6173.7-74.1-164.3-59.300113.5V17 F83 K84 D85 V125 V127 I195V17-M87 HydrophobicContact CB-CE 4.45Å; V17-M87 HydrophobicContact CG1-CE 3.51Å; V17-M87 HydrophobicContact CG2-CE 4.11Å; F83-M87 HydrophobicContact CD1-CE 3.91Å; F83-M87 HydrophobicContact CD2-CG 4.39Å; F83-M87 HydrophobicContact CE1-CE 3.36Å; F83-M87 HydrophobicContact CE1-SD 3.75Å; F83-M87 HydrophobicContact CE2-CE 4.39Å; F83-M87 HydrophobicContact CE2-CG 3.97Å; F83-M87 HydrophobicContact CE2-SD 3.82Å; F83-M87 HydrophobicContact CZ-CE 3.66Å; F83-M87 HydrophobicContact CZ-CG 4.09Å; F83-M87 HydrophobicContact CZ-SD 3.33Å; F83-M87 WeakPolarHBondContact CZ-SD 3.38Å; F83-M87 PolarHBondContact O-N 3.44Å; K84-M87 PolarHBondContact O-N 2.72Å; D85-M87 PolarHBondContact O-N 3.49Å; M87-V125 HydrophobicContact CE-CG1 3.97Å; M87-V125 HydrophobicContact SD-CG1 3.62Å; M87-V127 HydrophobicContact CE-CG2 4.19Å; M87-V127 HydrophobicContact SD-CG2 4.32Å; M87-I195 HydrophobicContact CG-CD1 3.45Å; M87-I195 VanDerWaalsContact CG-CD1 3.45Å; M87-I195 HydrophobicContact CG-CG1 4.42Å; M87-I195 HydrophobicContact CG-CG2 4.44Å
88G77.8Confident87.3Confident31 Ų3148.1 Ų48.132%0.3228%0.282SS..  trans85.3145-171.900000111.6K84 D85 A86 G90K84-G88 PolarHBondContact O-N 2.82Å; D85-G88 PolarHBondContact O-N 3.34Å; A86-G88 PolarHBondContact O-N 3.5Å; G88-G90 PolarHBondContact O-N 3.08Å
89N65.4Low87.3Confident149 Ų14942.7 Ų42.780%0.79726%0.259SS*.SBendtrans-67.569.9-173-77.1-28.5000113.5
90G57.7Low87.4Confident35 Ų3543.5 Ų43.536%0.36126%0.261SS..SBendtrans87.324167.700000116.2G88 N129G88-G90 PolarHBondContact O-N 3.08Å; G90-N129 PolarHBondContact O-OD1 2.9Å
91T63.6Low87.4Confident91 Ų9143.4 Ų43.456%0.55826%0.26SS*.  trans-86.7152.6166.650.10000110.5G93T91-G93 PolarHBondContact O-N 3.36Å
92D72.8Confident87.5Confident92 Ų9244.1 Ų44.149%0.49226%0.257SS..SBendtrans-51.9133173.8-68.1-38.8000109.6N129D92-N129 WeakPolarHBondContact OD1-CB 3.39Å; D92-N129 PolarHBondContact OD1-N 3.43Å; D92-N129 PolarHBondContact OD1-ND2 2.66Å; D92-N129 PolarHBondContact OD2-ND2 3.14Å
93G83.9Confident87.5Confident19 Ų1943.5 Ų43.520%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-176.1153.9-171.900000113.2T91 V127T91-G93 PolarHBondContact O-N 3.36Å; G93-V127 PolarHBondContact O-N 2.83Å
94M91.1Very high87.5Confident101 Ų10146.6 Ų46.650%0.49827%0.267SS..EExtended strand (participates in β ladder)trans-114.1133.9176-69.7-175.6-65.700110.3V125 T196M94-V125 WeakPolarHBondContact CA-O 3.45Å; M94-T196 HydrophobicContact CE-CG2 4.38Å; M94-T196 PolarHBondContact O-N 2.68Å
95G93.3Very high87.3Confident4 Ų449.3 Ų49.34%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-138.3163.4176.400000111.6K124 V125 Q194G95-K124 WeakPolarHBondContact O-CA 3.48Å; G95-V125 PolarHBondContact N-O 2.86Å; G95-V125 PolarHBondContact O-N 3.34Å; G95-Q194 CarbonylContact C-O 3.56Å; G95-Q194 WeakPolarHBondContact CA-O 3.36Å
96Q96.3Very high86.8Confident36 Ų3650.3 Ų50.317%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-138.3128.4173.2-173.3-175.9-78.400110.2S98 I123 K124 F193 Q194Q96-S98 PolarHBondContact NE2-OG 2.94Å; Q96-S98 VanDerWaalsContact NE2-OG 3.16Å; Q96-I123 CarbonylContact C-O 3.57Å; Q96-I123 VanDerWaalsContact CA-O 3.3Å; Q96-I123 WeakPolarHBondContact CA-O 3.39Å; Q96-K124 HydrophobicContact CB-CG 4.29Å; Q96-K124 HydrophobicContact CG-CG 3.95Å; Q96-F193 CarbonylContact O-C 3.56Å; Q96-F193 WeakPolarHBondContact O-CA 3.32Å; Q96-F193 WeakPolarHBondContact O-CB 3.42Å; Q96-Q194 PolarHBondContact N-O 3.37Å; Q96-Q194 PolarHBondContact O-N 3.1Å
97I97.2Very high86.1Confident0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-96.4133.9162.5-71.4177000108.6M21 L25 V80 F83 S122 I123 I191 F193M21-I97 HydrophobicContact CB-CD1 4.32Å; M21-I97 HydrophobicContact CG-CD1 4.05Å; M21-I97 HydrophobicContact SD-CD1 4.21Å; L25-I97 HydrophobicContact CD1-CD1 4.43Å; L25-I97 HydrophobicContact CD1-CG2 4.29Å; L25-I97 HydrophobicContact CD2-CG2 4.16Å; V80-I97 HydrophobicContact CG2-CD1 4.15Å; F83-I97 HydrophobicContact CB-CD1 3.85Å; F83-I97 HydrophobicContact CB-CG1 4.04Å; F83-I97 HydrophobicContact CD1-CD1 3.37Å; F83-I97 HydrophobicContact CD1-CG1 3.64Å; F83-I97 HydrophobicContact CD2-CD1 4.4Å; F83-I97 HydrophobicContact CD2-CG1 3.83Å; F83-I97 HydrophobicContact CE1-CD1 3.9Å; F83-I97 HydrophobicContact CE1-CG1 3.9Å; F83-I97 HydrophobicContact CE2-CG1 4.09Å; F83-I97 HydrophobicContact CG-CD1 3.61Å; F83-I97 HydrophobicContact CG-CG1 3.55Å; F83-I97 HydrophobicContact CZ-CG1 4.09Å; I97-S122 CarbonylContact O-C 3.39Å; I97-S122 WeakPolarHBondContact O-CA 3.28Å; I97-I123 PolarHBondContact N-O 3.02Å; I97-I123 PolarHBondContact O-N 3.35Å; I97-I191 HydrophobicContact CG2-CG2 3.73Å; I97-F193 HydrophobicContact CG1-CB 4.11Å
98S98.3Very high85.6Confident14 Ų1459.5 Ų59.510%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-113.1125170.1-65.80000110.6Q96 W121 S122 I191 T192Q96-S98 PolarHBondContact NE2-OG 2.94Å; Q96-S98 VanDerWaalsContact NE2-OG 3.16Å; S98-W121 CarbonylContact C-O 3.57Å; S98-W121 VanDerWaalsContact CA-O 3.25Å; S98-W121 WeakPolarHBondContact CA-O 3.47Å; S98-S122 PolarHBondContact OG-OG 3.43Å; S98-I191 WeakPolarHBondContact O-CA 3.26Å; S98-T192 PolarHBondContact N-O 2.85Å; S98-T192 PolarHBondContact O-N 2.91Å
99L98.6Very high85.2Confident0 Ų069.3 Ų69.30%033%0.334CS..EExtended strand (participates in β ladder)trans-103.3109.5169.6173.163.1000108.4L25 I28 L29 F101 V120 W121 Y189 I191L25-L99 HydrophobicContact CD2-CB 3.9Å; L25-L99 HydrophobicContact CD2-CD2 4.02Å; I28-L99 HydrophobicContact CB-CD2 4.08Å; I28-L99 HydrophobicContact CD1-CD2 4.49Å; I28-L99 HydrophobicContact CG2-CD2 3.69Å; L29-L99 HydrophobicContact CG-CD2 4.22Å; L99-F101 HydrophobicContact CD1-CZ 4.34Å; L99-F101 HydrophobicContact CD2-CE2 3.97Å; L99-F101 HydrophobicContact CD2-CZ 3.78Å; L99-F101 HydrophobicContact CG-CE2 3.99Å; L99-F101 HydrophobicContact CG-CZ 4Å; L99-V120 WeakPolarHBondContact O-CA 3.39Å; L99-W121 HydrophobicContact CB-CB 4.37Å; L99-W121 PolarHBondContact N-O 2.94Å; L99-W121 PolarHBondContact O-N 3.48Å; L99-Y189 HydrophobicContact CD1-CD2 3.55Å; L99-Y189 HydrophobicContact CD1-CE2 4.45Å; L99-Y189 HydrophobicContact CD1-CG 4.03Å; L99-I191 HydrophobicContact CD1-CD1 4.35Å; L99-I191 HydrophobicContact CD1-CG1 3.8Å
100E98.4Very high85.5Confident29 Ų2966.5 Ų66.514%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-109125.4-179.9173.1-172.1118.600110.3P117 E119 V120 Y189 K190E100-P117 HydrophobicContact CG-CB 3.73Å; E100-E119 CarbonylContact C-O 3.58Å; E100-E119 WeakPolarHBondContact CA-O 3.38Å; E100-V120 HydrophobicContact CB-CG2 4.05Å; E100-V120 HydrophobicContact CG-CG2 3.86Å; E100-Y189 CarbonylContact O-C 3.57Å; E100-Y189 WeakPolarHBondContact O-CA 3.45Å; E100-K190 HydrophobicContact CB-CG 3.93Å; E100-K190 HydrophobicContact CG-CG 4.48Å; E100-K190 PolarHBondContact N-O 2.65Å; E100-K190 PolarHBondContact O-N 2.86Å; E100-K190 WeakPolarHBondContact OE1-CE 3.38Å; E100-K190 IonicContact OE1-NZ 2.63Å; E100-K190 PolarHBondContact OE1-NZ 3.33Å; E100-K190 WeakPolarHBondContact OE2-CE 3.33Å; E100-K190 IonicContact OE2-NZ 3.53Å; E100-K190 PolarHBondContact OE2-NZ 2.99Å
101F98.3Very high86.3Confident0 Ų071.9 Ų71.90%034%0.338CS..EExtended strand (participates in β ladder)trans-93.8136.3168.5-60.5-79.2000110.7I28 L29 R32 L99 P117 W118 E119 L188I28-F101 HydrophobicContact CG2-CE2 3.72Å; I28-F101 HydrophobicContact CG2-CZ 3.94Å; L29-F101 HydrophobicContact CD2-CE1 4.14Å; L29-F101 HydrophobicContact CD2-CZ 4.22Å; R32-F101 HydrophobicContact CB-CD1 4.32Å; R32-F101 HydrophobicContact CB-CE1 3.51Å; R32-F101 HydrophobicContact CB-CE2 4.1Å; R32-F101 HydrophobicContact CB-CZ 3.38Å; R32-F101 HydrophobicContact CG-CD2 4.36Å; R32-F101 HydrophobicContact CG-CE1 4.06Å; R32-F101 HydrophobicContact CG-CE2 3.72Å; R32-F101 HydrophobicContact CG-CZ 3.54Å; L99-F101 HydrophobicContact CD1-CZ 4.34Å; L99-F101 HydrophobicContact CD2-CE2 3.97Å; L99-F101 HydrophobicContact CD2-CZ 3.78Å; L99-F101 HydrophobicContact CG-CE2 3.99Å; L99-F101 HydrophobicContact CG-CZ 4Å; F101-P117 WeakPolarHBondContact O-CA 3.47Å; F101-W118 HydrophobicContact CB-CD2 4.21Å; F101-W118 VanDerWaalsContact CB-CE2 3.49Å; F101-W118 HydrophobicContact CB-CH2 4.27Å; F101-W118 HydrophobicContact CB-CZ2 3.53Å; F101-W118 HydrophobicContact CG-CZ2 4.09Å; F101-W118 PolarHBondContact O-N 3.32Å; F101-E119 HydrophobicContact CB-CB 4.37Å; F101-E119 HydrophobicContact CD2-CB 4.19Å; F101-E119 HydrophobicContact CD2-CG 4.27Å; F101-E119 PolarHBondContact N-O 3.02Å; F101-E119 PolarHBondContact O-N 2.96Å; F101-L188 VanDerWaalsContact CA-O 3.32Å; F101-L188 WeakPolarHBondContact CA-O 3.41Å
102Y97.3Very high86.9Confident36 Ų3672.2 Ų72.214%0.14134%0.344CS..EExtended strand (participates in β ladder)trans-139.7166.4-175.967.5-87000112.6K104 C115 I116 L188 K190Y102-K104 HydrophobicContact CD2-CG 4.48Å; Y102-K104 HydrophobicContact CE2-CG 4.01Å; Y102-C115 HydrophobicContact CD2-CB 3.63Å; Y102-C115 HydrophobicContact CE2-CB 4.05Å; Y102-C115 VanDerWaalsContact CE2-SG 3.56Å; Y102-C115 HydrophobicContact CG-CB 4.17Å; Y102-I116 CarbonylContact C-O 3.45Å; Y102-I116 VanDerWaalsContact CA-O 3.24Å; Y102-I116 WeakPolarHBondContact CA-O 3.27Å; Y102-I116 WeakPolarHBondContact CB-O 3.33Å; Y102-L188 HydrophobicContact CD1-CB 4.3Å; Y102-L188 HydrophobicContact CD2-CB 4.22Å; Y102-L188 HydrophobicContact CD2-CD1 4.35Å; Y102-L188 HydrophobicContact CE1-CB 4.01Å; Y102-L188 HydrophobicContact CE2-CB 3.93Å; Y102-L188 HydrophobicContact CE2-CD1 3.9Å; Y102-L188 HydrophobicContact CE2-CG 4.45Å; Y102-L188 HydrophobicContact CG-CB 4.4Å; Y102-L188 PolarHBondContact N-O 3.38Å; Y102-L188 WeakPolarHBondContact O-CB 3.42Å; Y102-K190 HydrophobicContact CE1-CB 4.37Å
103Q95.3Very high87.3Confident43 Ų4372 Ų7220%0.20134%0.343CS..EExtended strand (participates in β ladder)trans-116.8144.7165.2-67.3-178.8-104.200109.3I116 Y163 P165 N175Q103-I116 PolarHBondContact N-O 2.9Å; Q103-I116 PolarHBondContact O-N 3.48Å; Q103-Y163 PolarHBondContact OE1-OH 2.91Å; Q103-P165 HydrophobicContact CG-CB 4.17Å; Q103-P165 HydrophobicContact CG-CG 3.96Å; Q103-N175 CarbonylContact C-O 3.56Å; Q103-N175 VanDerWaalsContact CA-O 3.32Å; Q103-N175 WeakPolarHBondContact CA-O 3.15Å
104K93.9Very high87.4Confident64 Ų6475.4 Ų75.428%0.27835%0.354SS..EExtended strand (participates in β ladder)trans-83.1124.9168.6-61.7172.6-170.1155.50108.8Y102 E114 D174 N175 L188Y102-K104 HydrophobicContact CD2-CG 4.48Å; Y102-K104 HydrophobicContact CE2-CG 4.01Å; K104-E114 CarbonylContact C-O 3.55Å; K104-E114 WeakPolarHBondContact CA-O 3.23Å; K104-D174 PolarHBondContact NZ-O 2.95Å; K104-D174 VanDerWaalsContact NZ-O 3.13Å; K104-N175 HydrophobicContact CB-CB 4.22Å; K104-N175 PolarHBondContact N-O 3.02Å; K104-N175 WeakPolarHBondContact O-CB 3.49Å; K104-L188 HydrophobicContact CD-CD1 4.04Å; K104-L188 HydrophobicContact CG-CD1 3.83Å
105K88.1Confident87.5Confident113 Ų11374.2 Ų74.249%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-100.7111.8168.3-177.2-178.1171.5-164.40107.7S107 E114 I116K105-S107 PolarHBondContact O-N 2.98Å; K105-E114 HydrophobicContact CB-CB 4.42Å; K105-E114 PolarHBondContact N-O 3.36Å; K105-E114 IonicContact NZ-OE2 3.98Å; K105-E114 PolarHBondContact O-N 3.3Å; K105-I116 HydrophobicContact CB-CD1 3.71Å; K105-I116 HydrophobicContact CB-CG1 4.33Å; K105-I116 HydrophobicContact CD-CD1 3.56Å; K105-I116 HydrophobicContact CG-CD1 4.28Å
106K80.5Confident87.5Confident133 Ų13377.1 Ų77.158%0.57837%0.368SS*.PPolyproline II helixtrans-62.7119.2173.7-72.3-173.2176.1177.70109D113K106-D113 WeakPolarHBondContact CA-OD1 3.31Å
107S74.5Confident87.5Confident33 Ų3377.5 Ų77.523%0.23137%0.374CS..PPolyproline II helixtrans-85.6154.3176.8-107.40000110.3K105 F111 S112 D113K105-S107 PolarHBondContact O-N 2.98Å; S107-F111 VanDerWaalsContact CB-O 3.32Å; S107-F111 WeakPolarHBondContact CB-O 3.48Å; S107-S112 VanDerWaalsContact CB-O 3.26Å; S107-S112 WeakPolarHBondContact CB-O 3.43Å; S107-S112 PolarHBondContact OG-O 2.84Å; S107-D113 PolarHBondContact N-OD1 2.95Å; S107-D113 VanDerWaalsContact N-OD1 3.1Å
108R75.3Confident87.5Confident226 Ų22677.6 Ų77.685%0.85337%0.374SS*.PPolyproline II helixtrans-77.2139.1166.8-70.3-172.8-179.8-1620.2108.2F111R108-F111 WeakPolarHBondContact O-CD2 3.42Å; R108-F111 PolarHBondContact O-N 2.85Å
109W68.9Low87.4Confident237 Ų23777 Ų7790%0.89837%0.37SS*.THydrogen-bonded Turntrans-50.4133.2172.3-174.588.3000109.9
110P71.8Confident87.4Confident90 Ų9078 Ų7858%0.58438%0.376SS*.THydrogen-bonded Turncis-99.214.116.239-36.6000115.8
111F75Confident87.4Confident149 Ų14976.6 Ų76.665%0.65437%0.369SS*.SBendtrans-82.9145.4-175.9-53.8-72.3000112.3S107 R108S107-F111 VanDerWaalsContact CB-O 3.32Å; S107-F111 WeakPolarHBondContact CB-O 3.48Å; R108-F111 WeakPolarHBondContact O-CD2 3.42Å; R108-F111 PolarHBondContact O-N 2.85Å
112S75.7Confident87.4Confident97 Ų9777.5 Ų77.568%0.67838%0.375SS*.PPolyproline II helixtrans-69.8152173.359.30000111.3S107 E114S107-S112 VanDerWaalsContact CB-O 3.26Å; S107-S112 WeakPolarHBondContact CB-O 3.43Å; S107-S112 PolarHBondContact OG-O 2.84Å; S112-E114 PolarHBondContact O-N 3.43Å
113D81.6Confident87.4Confident89 Ų8975.8 Ų75.848%0.47637%0.369SS..PPolyproline II helixtrans-57.9136.8170.4-71.1-10.2000111.2K106 S107K106-D113 WeakPolarHBondContact CA-OD1 3.31Å; S107-D113 PolarHBondContact N-OD1 2.95Å; S107-D113 VanDerWaalsContact N-OD1 3.1Å
114E86.9Confident87.6Confident90 Ų9078 Ų7842%0.42138%0.378SS..EExtended strand (participates in β ladder)trans-99.8134.6-178.3-66.6177.116800110.2K104 K105 S112 I116K104-E114 CarbonylContact C-O 3.55Å; K104-E114 WeakPolarHBondContact CA-O 3.23Å; K105-E114 HydrophobicContact CB-CB 4.42Å; K105-E114 PolarHBondContact N-O 3.36Å; K105-E114 IonicContact NZ-OE2 3.98Å; K105-E114 PolarHBondContact O-N 3.3Å; S112-E114 PolarHBondContact O-N 3.43Å; E114-I116 HydrophobicContact CB-CG1 4.32Å
115C92.1Very high87.6Confident76 Ų7675.1 Ų75.151%0.51437%0.365SS..EExtended strand (participates in β ladder)trans-92110167.1-64.20000108.3Y102 P117Y102-C115 HydrophobicContact CD2-CB 3.63Å; Y102-C115 HydrophobicContact CE2-CB 4.05Å; Y102-C115 VanDerWaalsContact CE2-SG 3.56Å; Y102-C115 HydrophobicContact CG-CB 4.17Å; C115-P117 WeakPolarHBondContact O-CD 3.37Å
116I94.3Very high88Confident65 Ų6572.1 Ų72.133%0.33336%0.355SS..EExtended strand (participates in β ladder)trans-101.1108.9-177.8-56.9-179.8000108.3Y102 Q103 K105 E114Y102-I116 CarbonylContact C-O 3.45Å; Y102-I116 VanDerWaalsContact CA-O 3.24Å; Y102-I116 WeakPolarHBondContact CA-O 3.27Å; Y102-I116 WeakPolarHBondContact CB-O 3.33Å; Q103-I116 PolarHBondContact N-O 2.9Å; Q103-I116 PolarHBondContact O-N 3.48Å; K105-I116 HydrophobicContact CB-CD1 3.71Å; K105-I116 HydrophobicContact CB-CG1 4.33Å; K105-I116 HydrophobicContact CD-CD1 3.56Å; K105-I116 HydrophobicContact CG-CD1 4.28Å; E114-I116 HydrophobicContact CB-CG1 4.32Å
117P95.8Very high88.6Confident44 Ų4466.1 Ų66.129%0.28633%0.329SS..EExtended strand (participates in β ladder)trans-69.2143.1178.230.9-35.7000110.5C3 E100 F101 C115C3-P117 HydrophobicContact CB-CG 4.43Å; E100-P117 HydrophobicContact CG-CB 3.73Å; F101-P117 WeakPolarHBondContact O-CA 3.47Å; C115-P117 WeakPolarHBondContact O-CD 3.37Å
118W96.2Very high89.4Confident2 Ų266.5 Ų66.51%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-125.4-18.5176.361.4-92000112.8M1 R4 F101 Y163 L164 P165 Y187M1-W118 HydrophobicContact SD-CB 4.4Å; R4-W118 PolarHBondContact N-O 3.33Å; R4-W118 VanDerWaalsContact N-O 3.08Å; F101-W118 HydrophobicContact CB-CD2 4.21Å; F101-W118 VanDerWaalsContact CB-CE2 3.49Å; F101-W118 HydrophobicContact CB-CH2 4.27Å; F101-W118 HydrophobicContact CB-CZ2 3.53Å; F101-W118 HydrophobicContact CG-CZ2 4.09Å; F101-W118 PolarHBondContact O-N 3.32Å; W118-Y163 HydrophobicContact CB-CD1 4.08Å; W118-Y163 HydrophobicContact CB-CE1 4Å; W118-Y163 HydrophobicContact CE3-CD1 4.3Å; W118-Y163 HydrophobicContact CG-CE1 4.24Å; W118-L164 HydrophobicContact CH2-CD2 3.82Å; W118-L164 HydrophobicContact CZ3-CD2 3.72Å; W118-P165 HydrophobicContact CD2-CG 4.08Å; W118-P165 HydrophobicContact CG-CG 4.4Å; W118-P165 HydrophobicContact CZ2-CG 3.86Å; W118-Y187 HydrophobicContact CH2-CD2 4.07Å; W118-Y187 HydrophobicContact CH2-CE2 4.25Å; W118-Y187 HydrophobicContact CH2-CG 4.38Å; W118-Y187 HydrophobicContact CZ2-CD1 4.04Å; W118-Y187 AromaticContact CZ2-CD2 3.87Å; W118-Y187 HydrophobicContact CZ2-CD2 3.87Å; W118-Y187 HydrophobicContact CZ2-CE1 4.49Å; W118-Y187 HydrophobicContact CZ2-CE2 4.33Å; W118-Y187 AromaticContact CZ2-CG 3.71Å; W118-Y187 HydrophobicContact CZ2-CG 3.71Å
119E97.6Very high90.2Very high1 Ų160.3 Ų60.31%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-152.8137175.2-176.5173.6-173.900110.9R4 R32 E100 F101 W121R4-E119 CarbonylContact O-C 3.54Å; R4-E119 WeakPolarHBondContact O-CA 3.41Å; R32-E119 IonicContact CZ-OE1 2.77Å; R32-E119 IonicContact CZ-OE2 2.86Å; R32-E119 VanDerWaalsContact CZ-OE2 3.27Å; R32-E119 IonicContact NE-OE1 3.4Å; R32-E119 IonicContact NE-OE2 3.23Å; R32-E119 PolarHBondContact NE-OE2 3.46Å; R32-E119 VanDerWaalsContact NH2-CD 3.29Å; R32-E119 IonicContact NH2-OE1 3.69Å; R32-E119 PolarHBondContact NH2-OE1 3.47Å; R32-E119 IonicContact NH2-OE2 2.74Å; R32-E119 PolarHBondContact NH2-OE2 2.81Å; E100-E119 CarbonylContact C-O 3.58Å; E100-E119 WeakPolarHBondContact CA-O 3.38Å; F101-E119 HydrophobicContact CB-CB 4.37Å; F101-E119 HydrophobicContact CD2-CB 4.19Å; F101-E119 HydrophobicContact CD2-CG 4.27Å; F101-E119 PolarHBondContact N-O 3.02Å; F101-E119 PolarHBondContact O-N 2.96Å; E119-W121 PolarHBondContact OE1-NE1 3.22Å
120V97.9Very high91.3Very high21 Ų2150.8 Ų50.813%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-132.7127178.9-1800000109.3R4 S5 E6 L99 E100R4-V120 PolarHBondContact O-N 3.37Å; S5-V120 CarbonylContact C-O 3.6Å; S5-V120 VanDerWaalsContact CA-O 3.3Å; S5-V120 WeakPolarHBondContact CA-O 3.15Å; E6-V120 PolarHBondContact N-O 3.46Å; L99-V120 WeakPolarHBondContact O-CA 3.39Å; E100-V120 HydrophobicContact CB-CG2 4.05Å; E100-V120 HydrophobicContact CG-CG2 3.86Å
121W98.5Very high92.3Very high0 Ų050.5 Ų50.50%029%0.285CS..EExtended strand (participates in β ladder)trans-109.3122.3171.1-68.783.7000109.4E6 L8 I28 S98 L99 E119 I154 V157 I158E6-W121 HydrophobicContact CB-CD2 4.12Å; E6-W121 HydrophobicContact CB-CE3 3.72Å; E6-W121 HydrophobicContact CB-CH2 4.25Å; E6-W121 HydrophobicContact CB-CZ3 3.79Å; E6-W121 HydrophobicContact CG-CH2 4.36Å; E6-W121 HydrophobicContact CG-CZ3 4.38Å; L8-W121 HydrophobicContact CD1-CE3 4.08Å; L8-W121 HydrophobicContact CD1-CZ3 4.29Å; L8-W121 HydrophobicContact CG-CE3 4.46Å; I28-W121 HydrophobicContact CD1-CB 3.73Å; I28-W121 HydrophobicContact CD1-CD2 3.69Å; I28-W121 HydrophobicContact CD1-CE3 3.88Å; I28-W121 HydrophobicContact CD1-CG 3.64Å; I28-W121 HydrophobicContact CG1-CD2 3.98Å; I28-W121 HydrophobicContact CG1-CE3 4.25Å; I28-W121 HydrophobicContact CG1-CG 4.22Å; I28-W121 HydrophobicContact CG2-CD2 4.32Å; I28-W121 HydrophobicContact CG2-CG 4.05Å; S98-W121 CarbonylContact C-O 3.57Å; S98-W121 VanDerWaalsContact CA-O 3.25Å; S98-W121 WeakPolarHBondContact CA-O 3.47Å; L99-W121 HydrophobicContact CB-CB 4.37Å; L99-W121 PolarHBondContact N-O 2.94Å; L99-W121 PolarHBondContact O-N 3.48Å; E119-W121 PolarHBondContact OE1-NE1 3.22Å; W121-I154 HydrophobicContact CE3-CG1 4.38Å; W121-I154 HydrophobicContact CH2-CB 4.24Å; W121-I154 HydrophobicContact CH2-CG1 4.16Å; W121-I154 HydrophobicContact CH2-CG2 4.05Å; W121-I154 HydrophobicContact CZ3-CB 4.32Å; W121-I154 HydrophobicContact CZ3-CG1 3.73Å; W121-I154 HydrophobicContact CZ3-CG2 4.43Å; W121-V157 HydrophobicContact CH2-CB 3.84Å; W121-V157 HydrophobicContact CH2-CG1 3.55Å; W121-V157 HydrophobicContact CZ2-CG1 3.88Å; W121-V157 HydrophobicContact CZ3-CG1 4.5Å; W121-I158 HydrophobicContact CH2-CG1 4.37Å; W121-I158 HydrophobicContact CZ2-CD1 4.28Å; W121-I158 HydrophobicContact CZ2-CG1 3.87Å
122S98.2Very high93.3Very high18 Ų1846.4 Ų46.413%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-112.4111.5178.7-63.20000109.8E6 A7 L8 I97 S98E6-S122 PolarHBondContact O-N 3.38Å; A7-S122 CarbonylContact C-O 3.59Å; A7-S122 VanDerWaalsContact CA-O 3.29Å; A7-S122 WeakPolarHBondContact CA-O 3.37Å; L8-S122 PolarHBondContact N-O 2.97Å; I97-S122 CarbonylContact O-C 3.39Å; I97-S122 WeakPolarHBondContact O-CA 3.28Å; S98-S122 PolarHBondContact OG-OG 3.43Å
123I98.3Very high94.2Very high0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-102.7107.1-179.6-55.1164.4000107.7L8 M21 L24 L25 I28 Q96 I97L8-I123 HydrophobicContact CB-CG1 4.47Å; L8-I123 HydrophobicContact CD1-CG1 4.22Å; M21-I123 HydrophobicContact CE-CG2 3.46Å; M21-I123 VanDerWaalsContact CE-CG2 3.46Å; M21-I123 HydrophobicContact SD-CB 4.28Å; M21-I123 HydrophobicContact SD-CG2 3.61Å; L24-I123 HydrophobicContact CB-CD1 3.72Å; L24-I123 HydrophobicContact CD1-CD1 4.46Å; L24-I123 HydrophobicContact CD1-CG2 3.63Å; L25-I123 HydrophobicContact CD2-CD1 3.73Å; L25-I123 HydrophobicContact CG-CD1 3.87Å; I28-I123 HydrophobicContact CD1-CD1 4.38Å; Q96-I123 CarbonylContact C-O 3.57Å; Q96-I123 VanDerWaalsContact CA-O 3.3Å; Q96-I123 WeakPolarHBondContact CA-O 3.39Å; I97-I123 PolarHBondContact N-O 3.02Å; I97-I123 PolarHBondContact O-N 3.35Å
124K97.6Very high94.9Very high91 Ų9149.3 Ų49.340%0.39627%0.27SS..EExtended strand (participates in β ladder)trans-86.9134.6174.4-62.8179.6-177.3179.70109.6L8 E9 V10 G95 Q96L8-K124 PolarHBondContact O-N 3.01Å; E9-K124 WeakPolarHBondContact CA-O 3.44Å; E9-K124 HydrophobicContact CB-CB 4.32Å; E9-K124 HydrophobicContact CG-CB 4.15Å; V10-K124 PolarHBondContact N-O 2.97Å; G95-K124 WeakPolarHBondContact O-CA 3.48Å; Q96-K124 HydrophobicContact CB-CG 4.29Å; Q96-K124 HydrophobicContact CG-CG 3.95Å
125V95.8Very high95.4Very high3 Ų348.7 Ų48.72%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-121.7133.9174.466.90000109.3V10 V12 V17 M21 F83 M87 M94 G95 V127V10-V125 HydrophobicContact CG2-CB 4.32Å; V10-V125 HydrophobicContact CG2-CG2 4.2Å; V10-V125 WeakPolarHBondContact O-CA 3.4Å; V12-V125 HydrophobicContact CG2-CG2 3.53Å; V17-V125 HydrophobicContact CG2-CG2 4.41Å; M21-V125 HydrophobicContact CE-CB 4.2Å; M21-V125 HydrophobicContact CE-CG2 4.46Å; F83-V125 HydrophobicContact CE1-CG1 3.74Å; F83-V125 HydrophobicContact CZ-CG1 3.49Å; F83-V125 VanDerWaalsContact CZ-CG1 3.49Å; M87-V125 HydrophobicContact CE-CG1 3.97Å; M87-V125 HydrophobicContact SD-CG1 3.62Å; M94-V125 WeakPolarHBondContact CA-O 3.45Å; G95-V125 PolarHBondContact N-O 2.86Å; G95-V125 PolarHBondContact O-N 3.34Å; V125-V127 HydrophobicContact CG2-CG2 4.41Å
126N94.9Very high95.6Very high50 Ų5048.7 Ų48.727%0.26726%0.257SS..EExtended strand (participates in β ladder)trans-111.7113.3169175.548.1000108V10 S11 V12V10-N126 PolarHBondContact O-N 3.24Å; S11-N126 CarbonylContact C-O 3.54Å; S11-N126 VanDerWaalsContact CA-O 3.26Å; S11-N126 WeakPolarHBondContact CA-O 3.39Å; S11-N126 PolarHBondContact OG-ND2 3.12Å; V12-N126 PolarHBondContact N-O 3.35Å
127V93.8Very high95.7Very high6 Ų648.9 Ų48.94%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-85124.4179.2-178.10000108.7V12 V17 M87 G93 V125V12-V127 WeakPolarHBondContact O-CA 3.32Å; V17-V127 HydrophobicContact CG2-CG2 3.84Å; M87-V127 HydrophobicContact CE-CG2 4.19Å; M87-V127 HydrophobicContact SD-CG2 4.32Å; G93-V127 PolarHBondContact O-N 2.83Å; V125-V127 HydrophobicContact CG2-CG2 4.41Å
128V92.3Very high95.8Very high42 Ų4250.1 Ų50.126%0.25526%0.26SS..EExtended strand (participates in β ladder)trans-114.8140.8180-59.20000111.8V12 L130V12-V128 PolarHBondContact O-N 3.34Å; V128-L130 HydrophobicContact CG2-CD2 4.18Å
129N91.4Very high95.9Very high96 Ų9650.9 Ų50.951%0.51327%0.265SS..  trans-82.6133.1168.9-76.2-42.1000112G90 D92G90-N129 PolarHBondContact O-OD1 2.9Å; D92-N129 WeakPolarHBondContact OD1-CB 3.39Å; D92-N129 PolarHBondContact OD1-N 3.43Å; D92-N129 PolarHBondContact OD1-ND2 2.66Å; D92-N129 PolarHBondContact OD2-ND2 3.14Å
130L92.6Very high95.9Very high36 Ų3653.8 Ų53.819%0.18828%0.276CS..  trans-110.8136.2176.6-56.7179.6000109.7E13 V128 E135 R136 C139E13-L130 HydrophobicContact CB-CD1 4.01Å; E13-L130 HydrophobicContact CG-CD1 4.15Å; E13-L130 HydrophobicContact CG-CG 4.44Å; V128-L130 HydrophobicContact CG2-CD2 4.18Å; L130-E135 HydrophobicContact CB-CB 4.29Å; L130-R136 HydrophobicContact CB-CG 4.09Å; L130-R136 HydrophobicContact CD1-CB 4.34Å; L130-R136 HydrophobicContact CD1-CG 3.76Å; L130-C139 HydrophobicContact CD1-CB 3.49Å; L130-C139 VanDerWaalsContact CD1-CB 3.49Å
131A91.9Very high95.9Very high84 Ų8457.3 Ų57.369%0.69429%0.291SS*.SBendtrans-80.6-25.9-169.500000113.4E135A131-E135 WeakPolarHBondContact CB-OE2 3.33Å; A131-E135 PolarHBondContact N-OE2 3.26Å
132N95.3Very high95.9Very high63 Ų6363.2 Ų63.234%0.33732%0.317SS..SBendtrans-155.5171.1-173.258.769000112.7Q134 E135 R136N132-Q134 VanDerWaalsContact C-N 3.31Å; N132-Q134 PolarHBondContact O-N 3.18Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.25Å; N132-Q134 PolarHBondContact OD1-N 3.34Å; N132-Q134 VanDerWaalsContact OD1-N 3.14Å; N132-E135 PolarHBondContact ND2-OE1 2.87Å; N132-E135 PolarHBondContact O-N 3.49Å; N132-E135 PolarHBondContact OD1-N 2.85Å; N132-R136 PolarHBondContact O-N 3.38Å; N132-R136 VanDerWaalsContact O-N 3.13Å
133E95.4Very high95.9Very high102 Ų10262.8 Ų62.848%0.47731%0.313SS..Hα-helixtrans-68.6-28.1-177.5-163.657.1-144.200113.6R136 Q137E133-R136 WeakPolarHBondContact O-CB 3.47Å; E133-R136 PolarHBondContact O-N 3.18Å; E133-R136 WeakPolarHBondContact OE2-CD 3.46Å; E133-R136 IonicContact OE2-CZ 3.54Å; E133-R136 IonicContact OE2-NE 2.97Å; E133-R136 IonicContact OE2-NH1 2.92Å; E133-R136 PolarHBondContact OE2-NH1 3.1Å; E133-Q137 PolarHBondContact O-N 3.1Å
134Q96.8Very high95.9Very high145 Ų14563 Ų6368%0.67832%0.316SS*.Hα-helixtrans-66.4-44.3176-178.7-179.3-11.800110.9N132 R136 Q137 I138N132-Q134 VanDerWaalsContact C-N 3.31Å; N132-Q134 PolarHBondContact O-N 3.18Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.25Å; N132-Q134 PolarHBondContact OD1-N 3.34Å; N132-Q134 VanDerWaalsContact OD1-N 3.14Å; Q134-R136 VanDerWaalsContact C-N 3.3Å; Q134-R136 PolarHBondContact O-N 3.23Å; Q134-Q137 PolarHBondContact O-N 3.48Å; Q134-I138 HydrophobicContact CG-CD1 4.26Å; Q134-I138 WeakPolarHBondContact O-CG1 3.4Å; Q134-I138 PolarHBondContact O-N 3.41Å; Q134-I138 VanDerWaalsContact O-N 3.12Å
135E96.5Very high96Very high77 Ų7765.1 Ų65.136%0.3633%0.327SS..Hα-helixtrans-62-38.7173.2-76.4171-157.500112L130 A131 N132 I138 C139L130-E135 HydrophobicContact CB-CB 4.29Å; A131-E135 WeakPolarHBondContact CB-OE2 3.33Å; A131-E135 PolarHBondContact N-OE2 3.26Å; N132-E135 PolarHBondContact ND2-OE1 2.87Å; N132-E135 PolarHBondContact O-N 3.49Å; N132-E135 PolarHBondContact OD1-N 2.85Å; E135-I138 PolarHBondContact O-N 3.2Å; E135-C139 VanDerWaalsContact O-CB 3.25Å; E135-C139 WeakPolarHBondContact O-CB 3.3Å; E135-C139 PolarHBondContact O-N 2.92Å
136R96.4Very high96.1Very high77 Ų7769.8 Ų69.829%0.29135%0.347SS..Hα-helixtrans-59.5-49.5173.6-77.1173.8-177.3141.110.2112.1E13 L130 N132 E133 Q134 I138 C139 R140E13-R136 WeakPolarHBondContact OE1-CG 3.36Å; E13-R136 IonicContact OE1-CZ 3.26Å; E13-R136 IonicContact OE1-NE 2.71Å; E13-R136 PolarHBondContact OE1-NE 3.02Å; L130-R136 HydrophobicContact CB-CG 4.09Å; L130-R136 HydrophobicContact CD1-CB 4.34Å; L130-R136 HydrophobicContact CD1-CG 3.76Å; N132-R136 PolarHBondContact O-N 3.38Å; N132-R136 VanDerWaalsContact O-N 3.13Å; E133-R136 WeakPolarHBondContact O-CB 3.47Å; E133-R136 PolarHBondContact O-N 3.18Å; E133-R136 WeakPolarHBondContact OE2-CD 3.46Å; E133-R136 IonicContact OE2-CZ 3.54Å; E133-R136 IonicContact OE2-NE 2.97Å; E133-R136 IonicContact OE2-NH1 2.92Å; E133-R136 PolarHBondContact OE2-NH1 3.1Å; Q134-R136 VanDerWaalsContact C-N 3.3Å; Q134-R136 PolarHBondContact O-N 3.23Å; R136-I138 VanDerWaalsContact C-N 3.32Å; R136-I138 PolarHBondContact O-N 3.44Å; R136-C139 WeakPolarHBondContact O-CA 3.32Å; R136-C139 WeakPolarHBondContact O-CB 3.41Å; R136-C139 PolarHBondContact O-N 3.04Å; R136-R140 WeakPolarHBondContact O-CG 3.28Å; R136-R140 PolarHBondContact O-N 2.79Å
137Q97.1Very high96.3Very high69 Ų6967.5 Ų67.532%0.32234%0.335SS..Hα-helixtrans-60.3-44179.9-174.355.136.300111.5E133 Q134 C139 R140 E141E133-Q137 PolarHBondContact O-N 3.1Å; Q134-Q137 PolarHBondContact O-N 3.48Å; Q137-C139 VanDerWaalsContact C-N 3.29Å; Q137-C139 PolarHBondContact O-N 2.97Å; Q137-R140 WeakPolarHBondContact O-CB 3.29Å; Q137-R140 PolarHBondContact O-N 2.94Å; Q137-E141 PolarHBondContact NE2-OE1 3.39Å; Q137-E141 PolarHBondContact O-N 2.84Å
138I97.4Very high96.5Very high70 Ų7068.2 Ų68.236%0.35934%0.343SS..Hα-helixtrans-62.2-38.6174.8-66165.8000111.3Q134 E135 R136 K142Q134-I138 HydrophobicContact CG-CD1 4.26Å; Q134-I138 WeakPolarHBondContact O-CG1 3.4Å; Q134-I138 PolarHBondContact O-N 3.41Å; Q134-I138 VanDerWaalsContact O-N 3.12Å; E135-I138 PolarHBondContact O-N 3.2Å; R136-I138 VanDerWaalsContact C-N 3.32Å; R136-I138 PolarHBondContact O-N 3.44Å; I138-K142 HydrophobicContact CG2-CD 3.85Å; I138-K142 VanDerWaalsContact CG2-CE 3.49Å; I138-K142 HydrophobicContact CG2-CG 4.39Å; I138-K142 WeakPolarHBondContact O-CB 3.45Å; I138-K142 WeakPolarHBondContact O-CG 3.45Å; I138-K142 PolarHBondContact O-N 3.17Å; I138-K142 VanDerWaalsContact O-N 3.11Å
139C97.3Very high96.8Very high17 Ų1770.7 Ų70.712%0.11535%0.352CS..Hα-helixtrans-65.5-40.2178.1-175.30000111.9Q16 L130 E135 R136 Q137 E141 K142 V143Q16-C139 PolarHBondContact OE1-SG 2.78Å; L130-C139 HydrophobicContact CD1-CB 3.49Å; L130-C139 VanDerWaalsContact CD1-CB 3.49Å; E135-C139 VanDerWaalsContact O-CB 3.25Å; E135-C139 WeakPolarHBondContact O-CB 3.3Å; E135-C139 PolarHBondContact O-N 2.92Å; R136-C139 WeakPolarHBondContact O-CA 3.32Å; R136-C139 WeakPolarHBondContact O-CB 3.41Å; R136-C139 PolarHBondContact O-N 3.04Å; Q137-C139 VanDerWaalsContact C-N 3.29Å; Q137-C139 PolarHBondContact O-N 2.97Å; C139-E141 PolarHBondContact O-N 2.81Å; C139-K142 PolarHBondContact O-N 2.78Å; C139-V143 WeakPolarHBondContact O-CB 3.26Å; C139-V143 WeakPolarHBondContact O-CG2 3.28Å; C139-V143 PolarHBondContact O-N 2.75Å
140R98Very high97.1Very high62 Ų6268.7 Ų68.723%0.23434%0.339CS..Hα-helixtrans-55.4-48.6176.7-66.7-17757-168-2112.6F59 D61 R136 Q137 G144F59-R140 WeakPolarHBondContact O-CG 3.35Å; D61-R140 PolarHBondContact N-O 2.84Å; D61-R140 IonicContact OD1-CZ 3.27Å; D61-R140 VanDerWaalsContact OD1-CZ 3.27Å; D61-R140 IonicContact OD1-NE 3.28Å; D61-R140 PolarHBondContact OD1-NE 3.36Å; D61-R140 IonicContact OD1-NH2 2.76Å; D61-R140 PolarHBondContact OD1-NH2 3.1Å; R136-R140 WeakPolarHBondContact O-CG 3.28Å; R136-R140 PolarHBondContact O-N 2.79Å; Q137-R140 WeakPolarHBondContact O-CB 3.29Å; Q137-R140 PolarHBondContact O-N 2.94Å; R140-G144 PolarHBondContact O-N 2.89Å; R140-G144 VanDerWaalsContact O-N 3.13Å
141E98.3Very high97.4Very high95 Ų9568.7 Ų68.744%0.44434%0.34SS..Hα-helixtrans-65.2-50.4179.3-67.8168.3-156.900111D61 Q137 C139 V143 G144 E145D61-E141 WeakPolarHBondContact OD2-CG 3.03Å; Q137-E141 PolarHBondContact NE2-OE1 3.39Å; Q137-E141 PolarHBondContact O-N 2.84Å; C139-E141 PolarHBondContact O-N 2.81Å; E141-V143 PolarHBondContact O-N 2.77Å; E141-G144 PolarHBondContact O-N 3.38Å; E141-G144 VanDerWaalsContact O-N 3.13Å; E141-E145 PolarHBondContact O-N 2.63Å
142K98.3Very high97.7Very high125 Ų12569.5 Ų69.554%0.54333%0.332SS..Hα-helixtrans-62.4-41.4-179.2-74.2179.7179.1175.50113I138 C139 G144 E145 K146I138-K142 HydrophobicContact CG2-CD 3.85Å; I138-K142 VanDerWaalsContact CG2-CE 3.49Å; I138-K142 HydrophobicContact CG2-CG 4.39Å; I138-K142 WeakPolarHBondContact O-CB 3.45Å; I138-K142 WeakPolarHBondContact O-CG 3.45Å; I138-K142 PolarHBondContact O-N 3.17Å; I138-K142 VanDerWaalsContact O-N 3.11Å; C139-K142 PolarHBondContact O-N 2.78Å; K142-G144 VanDerWaalsContact C-N 3.29Å; K142-E145 PolarHBondContact O-N 2.88Å; K142-K146 WeakPolarHBondContact O-CG 3.38Å; K142-K146 PolarHBondContact O-N 3.37Å
143V98.6Very high97.8Very high9 Ų969.1 Ų69.16%0.05533%0.33CS..Hα-helixtrans-65.4-38.5177.1173.40000109.9V12 I60 C139 E141 K146 L147V12-V143 HydrophobicContact CG1-CG1 3.84Å; V12-V143 HydrophobicContact CG1-CG2 4.21Å; I60-V143 HydrophobicContact CD1-CG1 3.86Å; I60-V143 HydrophobicContact CG1-CG1 4.09Å; I60-V143 HydrophobicContact CG2-CB 4.11Å; I60-V143 HydrophobicContact CG2-CG1 3.75Å; C139-V143 WeakPolarHBondContact O-CB 3.26Å; C139-V143 WeakPolarHBondContact O-CG2 3.28Å; C139-V143 PolarHBondContact O-N 2.75Å; E141-V143 PolarHBondContact O-N 2.77Å; V143-K146 PolarHBondContact O-N 2.72Å; V143-L147 HydrophobicContact CG1-CD1 4.45Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CG 3.48Å; V143-L147 PolarHBondContact O-N 3.36Å
144G98.6Very high97.9Very high5 Ų564.3 Ų64.35%0.05231%0.307CS..Hα-helixtrans-59.1-49.1174.200000112.9F62 R140 E141 K142 K146 L147 G148F62-G144 WeakPolarHBondContact CD2-O 3.37Å; R140-G144 PolarHBondContact O-N 2.89Å; R140-G144 VanDerWaalsContact O-N 3.13Å; E141-G144 PolarHBondContact O-N 3.38Å; E141-G144 VanDerWaalsContact O-N 3.13Å; K142-G144 VanDerWaalsContact C-N 3.29Å; G144-K146 VanDerWaalsContact C-N 3.31Å; G144-K146 PolarHBondContact O-N 3.24Å; G144-L147 PolarHBondContact O-N 3.47Å; G144-G148 PolarHBondContact O-N 3.13Å
145E98.4Very high97.9Very high135 Ų13560.4 Ų60.463%0.63129%0.293SS*.Hα-helixtrans-57.2-44.3174.5-68.3178.3171.300111.7E141 K142 G148 E149E141-E145 PolarHBondContact O-N 2.63Å; K142-E145 PolarHBondContact O-N 2.88Å; E145-G148 PolarHBondContact O-N 2.83Å; E145-E149 PolarHBondContact O-N 3.46Å
146K98.4Very high97.9Very high101 Ų10162.3 Ų62.344%0.43930%0.302SS..Hα-helixtrans-66.6-38.3178.7-69.6-47.7-177.9-167.50113.4K142 V143 G144 G148 E149 K150K142-K146 WeakPolarHBondContact O-CG 3.38Å; K142-K146 PolarHBondContact O-N 3.37Å; V143-K146 PolarHBondContact O-N 2.72Å; G144-K146 VanDerWaalsContact C-N 3.31Å; G144-K146 PolarHBondContact O-N 3.24Å; K146-G148 VanDerWaalsContact C-N 3.3Å; K146-G148 PolarHBondContact O-N 3.04Å; K146-E149 VanDerWaalsContact CD-OE2 3.22Å; K146-E149 WeakPolarHBondContact CD-OE2 3.28Å; K146-E149 IonicContact NZ-OE1 2.63Å; K146-E149 PolarHBondContact NZ-OE1 2.84Å; K146-E149 IonicContact NZ-OE2 2.78Å; K146-E149 PolarHBondContact NZ-OE2 2.8Å; K146-E149 PolarHBondContact O-N 2.77Å; K146-K150 WeakPolarHBondContact O-CG 3.3Å; K146-K150 PolarHBondContact O-N 3.18Å
147L98.7Very high97.8Very high1 Ų158.7 Ų58.71%0.00529%0.289CS..Hα-helixtrans-63-39.7172.8-72.1-176.4000111.3V10 A20 A23 L24 I60 F62 V143 G144 E149 K150 V151V10-L147 HydrophobicContact CG1-CD2 4.22Å; A20-L147 HydrophobicContact CB-CD1 4.42Å; A20-L147 HydrophobicContact CB-CD2 4.22Å; A23-L147 HydrophobicContact CB-CD1 4.28Å; L24-L147 HydrophobicContact CD1-CD2 4.25Å; L24-L147 HydrophobicContact CD2-CD2 4.15Å; L24-L147 HydrophobicContact CG-CD2 4.09Å; I60-L147 HydrophobicContact CD1-CD1 3.86Å; I60-L147 HydrophobicContact CG2-CD1 4.07Å; F62-L147 HydrophobicContact CB-CD1 4.41Å; F62-L147 HydrophobicContact CD1-CB 3.99Å; F62-L147 HydrophobicContact CD1-CD1 3.83Å; F62-L147 HydrophobicContact CD2-CB 4.08Å; F62-L147 HydrophobicContact CE1-CB 3.92Å; F62-L147 HydrophobicContact CE1-CD1 4.36Å; F62-L147 HydrophobicContact CE2-CB 4.04Å; F62-L147 HydrophobicContact CG-CB 4.07Å; F62-L147 HydrophobicContact CG-CD1 4.17Å; F62-L147 HydrophobicContact CZ-CB 3.96Å; V143-L147 HydrophobicContact CG1-CD1 4.45Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CG 3.48Å; V143-L147 PolarHBondContact O-N 3.36Å; G144-L147 PolarHBondContact O-N 3.47Å; L147-E149 PolarHBondContact O-N 2.7Å; L147-K150 PolarHBondContact O-N 2.95Å; L147-K150 VanDerWaalsContact O-N 3.15Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.16Å
148G98.6Very high97.7Very high21 Ų2156.8 Ų56.822%0.21628%0.28CS..Hα-helixtrans-56.5-48.8172.500000112.7G144 E145 K146 K150 V151 I152G144-G148 PolarHBondContact O-N 3.13Å; E145-G148 PolarHBondContact O-N 2.83Å; K146-G148 VanDerWaalsContact C-N 3.3Å; K146-G148 PolarHBondContact O-N 3.04Å; G148-K150 VanDerWaalsContact C-N 3.32Å; G148-K150 PolarHBondContact O-N 3.13Å; G148-V151 PolarHBondContact O-N 3.21Å; G148-I152 WeakPolarHBondContact O-CG1 3.39Å; G148-I152 PolarHBondContact O-N 2.95Å
149E98.4Very high97.4Very high95 Ų9560 Ų6044%0.44430%0.298SS..Hα-helixtrans-57.8-42.4174.3-68.8174.4-167.100112.2E145 K146 L147 I152 N153E145-E149 PolarHBondContact O-N 3.46Å; K146-E149 VanDerWaalsContact CD-OE2 3.22Å; K146-E149 WeakPolarHBondContact CD-OE2 3.28Å; K146-E149 IonicContact NZ-OE1 2.63Å; K146-E149 PolarHBondContact NZ-OE1 2.84Å; K146-E149 IonicContact NZ-OE2 2.78Å; K146-E149 PolarHBondContact NZ-OE2 2.8Å; K146-E149 PolarHBondContact O-N 2.77Å; L147-E149 PolarHBondContact O-N 2.7Å; E149-I152 PolarHBondContact O-N 3.41Å; E149-N153 PolarHBondContact O-N 2.79Å
150K98.5Very high97.1Very high54 Ų5464.9 Ų64.924%0.23531%0.314CS..Hα-helixtrans-69.2-37.1179.2-65.1-39.8-179.1-179.20112.8L8 E9 V10 L24 K146 L147 G148 N153 I154L8-K150 HydrophobicContact CD2-CD 4.22Å; E9-K150 WeakPolarHBondContact O-CE 3.43Å; V10-K150 HydrophobicContact CG1-CG 4.16Å; L24-K150 HydrophobicContact CD2-CB 3.65Å; K146-K150 WeakPolarHBondContact O-CG 3.3Å; K146-K150 PolarHBondContact O-N 3.18Å; L147-K150 PolarHBondContact O-N 2.95Å; L147-K150 VanDerWaalsContact O-N 3.15Å; G148-K150 VanDerWaalsContact C-N 3.32Å; G148-K150 PolarHBondContact O-N 3.13Å; K150-N153 WeakPolarHBondContact O-CB 3.36Å; K150-N153 PolarHBondContact O-N 3.37Å; K150-I154 WeakPolarHBondContact O-CG1 3.36Å; K150-I154 PolarHBondContact O-N 2.82Å
151V98.4Very high96.1Very high35 Ų3571.9 Ų71.921%0.21235%0.349CS..Hα-helixtrans-63.1-44.5174.4167.20000110.5T27 F62 L147 G148 N153 I154 V155T27-V151 HydrophobicContact CG2-CG1 4.11Å; T27-V151 HydrophobicContact CG2-CG2 4.3Å; F62-V151 HydrophobicContact CE1-CG2 4.44Å; F62-V151 HydrophobicContact CZ-CG2 3.98Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.16Å; G148-V151 PolarHBondContact O-N 3.21Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.28Å; V151-I154 WeakPolarHBondContact O-CB 2.85Å; V151-I154 PolarHBondContact O-N 2.88Å; V151-V155 WeakPolarHBondContact O-CG2 3.37Å; V151-V155 PolarHBondContact O-N 3.46Å
152I98.1Very high95.5Very high102 Ų10270.7 Ų70.752%0.52334%0.344SS..Hα-helixtrans-57.9-46.9174.6-67.4167.1000110.2G148 E149 I154 V155 E156G148-I152 WeakPolarHBondContact O-CG1 3.39Å; G148-I152 PolarHBondContact O-N 2.95Å; E149-I152 PolarHBondContact O-N 3.41Å; I152-I154 PolarHBondContact O-N 2.88Å; I152-V155 PolarHBondContact O-N 2.81Å; I152-V155 VanDerWaalsContact O-N 3.17Å; I152-E156 HydrophobicContact CG2-CG 4.33Å; I152-E156 WeakPolarHBondContact O-CG 3.16Å; I152-E156 PolarHBondContact O-N 2.86Å
153N97.6Very high95.1Very high55 Ų5568.2 Ų68.229%0.29433%0.331SS..Hα-helixtrans-59.4-43.1177.5-176.7-94.9000112.8E149 K150 V151 V155 E156 V157E149-N153 PolarHBondContact O-N 2.79Å; K150-N153 WeakPolarHBondContact O-CB 3.36Å; K150-N153 PolarHBondContact O-N 3.37Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.28Å; N153-V155 VanDerWaalsContact C-N 3.34Å; N153-V155 PolarHBondContact O-N 2.86Å; N153-E156 PolarHBondContact O-N 2.86Å; N153-V157 WeakPolarHBondContact O-CB 3.47Å; N153-V157 VanDerWaalsContact O-CG2 3.27Å; N153-V157 WeakPolarHBondContact O-CG2 3.37Å; N153-V157 PolarHBondContact O-N 3.17Å
154I97.9Very high94.8Very high0 Ų071.8 Ų71.80%035%0.35CS..Hα-helixtrans-56.9-50174.8-71160.2000110L8 L24 T27 I28 W121 K150 V151 I152 E156 V157 I158L8-I154 HydrophobicContact CD1-CD1 3.76Å; L8-I154 HydrophobicContact CD1-CG1 3.75Å; L8-I154 HydrophobicContact CD2-CG1 4.48Å; L24-I154 HydrophobicContact CD2-CD1 3.86Å; T27-I154 HydrophobicContact CG2-CB 4.39Å; T27-I154 HydrophobicContact CG2-CD1 4.15Å; T27-I154 HydrophobicContact CG2-CG2 3.98Å; I28-I154 HydrophobicContact CD1-CD1 4.4Å; I28-I154 HydrophobicContact CG1-CD1 4.03Å; I28-I154 HydrophobicContact CG1-CG1 4.27Å; I28-I154 HydrophobicContact CG1-CG2 3.97Å; W121-I154 HydrophobicContact CE3-CG1 4.38Å; W121-I154 HydrophobicContact CH2-CB 4.24Å; W121-I154 HydrophobicContact CH2-CG1 4.16Å; W121-I154 HydrophobicContact CH2-CG2 4.05Å; W121-I154 HydrophobicContact CZ3-CB 4.32Å; W121-I154 HydrophobicContact CZ3-CG1 3.73Å; W121-I154 HydrophobicContact CZ3-CG2 4.43Å; K150-I154 WeakPolarHBondContact O-CG1 3.36Å; K150-I154 PolarHBondContact O-N 2.82Å; V151-I154 WeakPolarHBondContact O-CB 2.85Å; V151-I154 PolarHBondContact O-N 2.88Å; I152-I154 PolarHBondContact O-N 2.88Å; I154-E156 PolarHBondContact O-N 3.45Å; I154-V157 PolarHBondContact O-N 2.94Å; I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.26Å; I154-I158 WeakPolarHBondContact O-CB 3.3Å; I154-I158 VanDerWaalsContact O-CG1 3.25Å; I154-I158 WeakPolarHBondContact O-CG1 3.32Å; I154-I158 PolarHBondContact O-N 2.99Å
155V96.5Very high94.6Very high64 Ų6471.9 Ų71.939%0.38835%0.349SS..Hα-helixtrans-63.2-42.5-178.1175.20000111.4V151 I152 N153 V157 I158 N159V151-V155 WeakPolarHBondContact O-CG2 3.37Å; V151-V155 PolarHBondContact O-N 3.46Å; I152-V155 PolarHBondContact O-N 2.81Å; I152-V155 VanDerWaalsContact O-N 3.17Å; N153-V155 VanDerWaalsContact C-N 3.34Å; N153-V155 PolarHBondContact O-N 2.86Å; V155-V157 PolarHBondContact O-N 3.02Å; V155-I158 PolarHBondContact O-N 3.11Å; V155-N159 VanDerWaalsContact O-CB 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.33Å; V155-N159 PolarHBondContact O-N 2.82Å
156E96.1Very high94.3Very high117 Ų11773.8 Ų73.855%0.54736%0.355SS..Hα-helixtrans-59.9-45.2176.9-74.4178.4160.800112.4I152 N153 I154 N159I152-E156 HydrophobicContact CG2-CG 4.33Å; I152-E156 WeakPolarHBondContact O-CG 3.16Å; I152-E156 PolarHBondContact O-N 2.86Å; N153-E156 PolarHBondContact O-N 2.86Å; I154-E156 PolarHBondContact O-N 3.45Å; E156-N159 PolarHBondContact O-N 3.18Å
157V94.6Very high94.1Very high1 Ų173.7 Ų73.71%0.00636%0.358CS..Hα-helixtrans-65.1-46177.6167.20000110.8E6 W121 N153 I154 V155 N159 R160E6-V157 HydrophobicContact CG-CG1 3.69Å; E6-V157 WeakPolarHBondContact OE1-CG1 3.34Å; W121-V157 HydrophobicContact CH2-CB 3.84Å; W121-V157 HydrophobicContact CH2-CG1 3.55Å; W121-V157 HydrophobicContact CZ2-CG1 3.88Å; W121-V157 HydrophobicContact CZ3-CG1 4.5Å; N153-V157 WeakPolarHBondContact O-CB 3.47Å; N153-V157 VanDerWaalsContact O-CG2 3.27Å; N153-V157 WeakPolarHBondContact O-CG2 3.37Å; N153-V157 PolarHBondContact O-N 3.17Å; I154-V157 PolarHBondContact O-N 2.94Å; V155-V157 PolarHBondContact O-N 3.02Å; V157-N159 PolarHBondContact O-N 2.63Å; V157-R160 VanDerWaalsContact O-CB 3.28Å; V157-R160 WeakPolarHBondContact O-CB 3.44Å; V157-R160 VanDerWaalsContact O-CG 3.32Å; V157-R160 WeakPolarHBondContact O-CG 3.25Å; V157-R160 PolarHBondContact O-N 3Å; V157-R160 VanDerWaalsContact O-N 3.1Å
158I93.9Very high93.9Very high29 Ų2974.1 Ų74.115%0.14936%0.361CS..Hα-helixtrans-62.9-32.6179.6-73-177000111.9H31 W121 I154 V155 R160H31-I158 HydrophobicContact CB-CD1 3.39Å; H31-I158 HydrophobicContact CB-CG2 4.08Å; W121-I158 HydrophobicContact CH2-CG1 4.37Å; W121-I158 HydrophobicContact CZ2-CD1 4.28Å; W121-I158 HydrophobicContact CZ2-CG1 3.87Å; I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.26Å; I154-I158 WeakPolarHBondContact O-CB 3.3Å; I154-I158 VanDerWaalsContact O-CG1 3.25Å; I154-I158 WeakPolarHBondContact O-CG1 3.32Å; I154-I158 PolarHBondContact O-N 2.99Å; V155-I158 PolarHBondContact O-N 3.11Å; I158-R160 PolarHBondContact O-N 2.83Å
159N91.4Very high93.6Very high136 Ų13676.5 Ų76.573%0.72737%0.371SS*.THydrogen-bonded Turntrans-76.7-4.6179.1-163.746.6000113.5V155 E156 V157V155-N159 VanDerWaalsContact O-CB 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.33Å; V155-N159 PolarHBondContact O-N 2.82Å; E156-N159 PolarHBondContact O-N 3.18Å; V157-N159 PolarHBondContact O-N 2.63Å
160R91.4Very high93.4Very high121 Ų12178 Ų7846%0.45738%0.378SS..SBendtrans-66.7138172.8-62.2175-177.3165.44.8109.6E6 V157 I158 E162E6-R160 IonicContact OE1-NH1 3.72Å; E6-R160 PolarHBondContact OE1-NH1 2.61Å; V157-R160 VanDerWaalsContact O-CB 3.28Å; V157-R160 WeakPolarHBondContact O-CB 3.44Å; V157-R160 VanDerWaalsContact O-CG 3.32Å; V157-R160 WeakPolarHBondContact O-CG 3.25Å; V157-R160 PolarHBondContact O-N 3Å; V157-R160 VanDerWaalsContact O-N 3.1Å; I158-R160 PolarHBondContact O-N 2.83Å; R160-E162 HydrophobicContact CB-CG 3.66Å; R160-E162 PolarHBondContact O-N 2.96Å
161H77.9Confident93.1Very high208 Ų20879.8 Ų79.896%0.96340%0.398SS*.SBendtrans-70.177.5175.5-90.8115.8000111
162E85.6Confident92.8Very high71 Ų7182.6 Ų82.633%0.33241%0.408SS..  trans-123.3173-175.7-58.6-178.6127.200110.8R4 R160 L164R4-E162 VanDerWaalsContact CD-OE1 3.28Å; R4-E162 WeakPolarHBondContact CD-OE1 3.46Å; R4-E162 WeakPolarHBondContact CD-OE2 3.43Å; R4-E162 IonicContact CZ-OE2 3.94Å; R4-E162 IonicContact NE-OE1 3.18Å; R4-E162 IonicContact NE-OE2 3.37Å; R4-E162 PolarHBondContact NE-OE2 2.73Å; R4-E162 IonicContact NH1-OE2 2.79Å; R4-E162 VanDerWaalsContact NH2-CB 3.32Å; R4-E162 IonicContact NH2-OE2 3.92Å; R4-E162 PolarHBondContact NH2-OE2 3.47Å; R160-E162 HydrophobicContact CB-CG 3.66Å; R160-E162 PolarHBondContact O-N 2.96Å; E162-L164 PolarHBondContact O-N 3.4Å
163Y89.3Confident92.7Very high72 Ų7278 Ų7828%0.28239%0.386SS..  trans-59.6135.1-174.7175.9-96.8000112.6M1 R4 Q103 W118 P165M1-Y163 HydrophobicContact CE-CD1 4.2Å; M1-Y163 HydrophobicContact CE-CD2 3.72Å; M1-Y163 HydrophobicContact CE-CE1 3.66Å; M1-Y163 HydrophobicContact CE-CE2 3.11Å; M1-Y163 HydrophobicContact CE-CG 4.22Å; M1-Y163 WeakPolarHBondContact CE-OH 3.46Å; M1-Y163 HydrophobicContact CG-CD1 4.18Å; M1-Y163 HydrophobicContact CG-CE1 4.34Å; M1-Y163 HydrophobicContact CG-CG 4.28Å; M1-Y163 HydrophobicContact SD-CD1 3.57Å; M1-Y163 VanDerWaalsContact SD-CD1 3.57Å; M1-Y163 HydrophobicContact SD-CD2 4.16Å; M1-Y163 HydrophobicContact SD-CE1 3.15Å; M1-Y163 WeakPolarHBondContact SD-CE1 3.43Å; M1-Y163 HydrophobicContact SD-CE2 3.82Å; M1-Y163 HydrophobicContact SD-CG 4.03Å; R4-Y163 PolarHBondContact NH1-O 2.84Å; Q103-Y163 PolarHBondContact OE1-OH 2.91Å; W118-Y163 HydrophobicContact CB-CD1 4.08Å; W118-Y163 HydrophobicContact CB-CE1 4Å; W118-Y163 HydrophobicContact CE3-CD1 4.3Å; W118-Y163 HydrophobicContact CG-CE1 4.24Å; Y163-P165 HydrophobicContact CE1-CG 4.21Å; Y163-P165 WeakPolarHBondContact OH-CA 3.3Å
164L93Very high92.6Very high85 Ų8579.4 Ų79.445%0.44539%0.393SS..  trans-125.8147.6160.7-69.4176.2000109W118 E162 K166W118-L164 HydrophobicContact CH2-CD2 3.82Å; W118-L164 HydrophobicContact CZ3-CD2 3.72Å; E162-L164 PolarHBondContact O-N 3.4Å; L164-K166 PolarHBondContact O-N 2.89Å
165P93.8Very high92.4Very high6 Ų680.4 Ų80.44%0.03940%0.399CS..PPolyproline II helixtrans-50.7136171.4-28.436.3000112.7Q103 W118 Y163 V176 Y187Q103-P165 HydrophobicContact CG-CB 4.17Å; Q103-P165 HydrophobicContact CG-CG 3.96Å; W118-P165 HydrophobicContact CD2-CG 4.08Å; W118-P165 HydrophobicContact CG-CG 4.4Å; W118-P165 HydrophobicContact CZ2-CG 3.86Å; Y163-P165 HydrophobicContact CE1-CG 4.21Å; Y163-P165 WeakPolarHBondContact OH-CA 3.3Å; P165-V176 HydrophobicContact CB-CG1 3.56Å; P165-V176 HydrophobicContact CG-CG1 4.25Å; P165-Y187 HydrophobicContact CB-CD1 4.44Å; P165-Y187 HydrophobicContact CB-CE1 3.84Å; P165-Y187 HydrophobicContact CG-CD1 3.99Å; P165-Y187 HydrophobicContact CG-CE1 3.69Å
166K93Very high92.5Very high175 Ų17577.7 Ų77.776%0.76138%0.382SS*.PPolyproline II helixtrans-59.2144.3172.2-65.8-176.2179.6-178.30109.8L164 P168L164-K166 PolarHBondContact O-N 2.89Å; K166-P168 WeakPolarHBondContact O-CD 3.07Å
167M93.8Very high92.5Very high100 Ų10072.1 Ų72.149%0.49336%0.356SS..PPolyproline II helixtrans-60.5121.3175.6-69.4-59.6174.600109.9F37 F177F37-M167 HydrophobicContact CE1-SD 4.2Å; F37-M167 HydrophobicContact CZ-SD 3.77Å; M167-F177 HydrophobicContact SD-CZ 4.38Å
168P93.4Very high92.7Very high10 Ų1072.7 Ų72.77%0.06536%0.359CS..PPolyproline II helixtrans-79.9158-171.531.2-34.2000112Y39 K166 E172 A173 V176 F177Y39-P168 PolarHBondContact OH-O 3.23Å; K166-P168 WeakPolarHBondContact O-CD 3.07Å; P168-E172 HydrophobicContact CB-CB 3.85Å; P168-A173 HydrophobicContact CG-CB 4.42Å; P168-V176 HydrophobicContact CB-CB 4.49Å; P168-V176 HydrophobicContact CB-CG2 4.01Å; P168-V176 HydrophobicContact CG-CB 4.13Å; P168-V176 HydrophobicContact CG-CG2 4.16Å; P168-F177 HydrophobicContact CG-CD2 3.97Å; P168-F177 HydrophobicContact CG-CE2 3.83Å
169T93.1Very high92.8Very high71 Ų7173.6 Ų73.644%0.43637%0.366SS..PPolyproline II helixtrans-69.6166.7161.261.60000110.7S171 E172 A173T169-S171 PolarHBondContact O-N 2.96Å; T169-S171 PolarHBondContact OG1-OG 3.18Å; T169-S171 VanDerWaalsContact OG1-OG 3.09Å; T169-E172 PolarHBondContact N-OE2 3.18Å; T169-E172 CarbonylContact O-C 3.53Å; T169-E172 PolarHBondContact O-N 2.86Å; T169-E172 VanDerWaalsContact OG1-CD 3.23Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-OE2 2.96Å; T169-A173 PolarHBondContact O-N 3.48Å
170Q93.6Very high93.1Very high125 Ų12570.1 Ų70.158%0.58435%0.353SS*.G310 helixtrans-54.3-40.6177.8-173175.44.400112.6Y39 E172Y39-Q170 HydrophobicContact CD1-CB 3.82Å; Y39-Q170 HydrophobicContact CD2-CB 3.91Å; Y39-Q170 HydrophobicContact CD2-CG 3.85Å; Y39-Q170 HydrophobicContact CE1-CB 4.3Å; Y39-Q170 HydrophobicContact CE2-CB 4.38Å; Y39-Q170 HydrophobicContact CG-CB 3.6Å; Y39-Q170 HydrophobicContact CG-CG 3.84Å; Q170-E172 PolarHBondContact O-N 2.94Å
171S92.1Very high93.3Very high93 Ų9365 Ų6565%0.6533%0.334SS*.G310 helixtrans-70.6-12.917944.60000114.7T169T169-S171 PolarHBondContact O-N 2.96Å; T169-S171 PolarHBondContact OG1-OG 3.18Å; T169-S171 VanDerWaalsContact OG1-OG 3.09Å
172E93.1Very high94Very high93 Ų9362.2 Ų62.244%0.43532%0.319SS..G310 helixtrans-115.5-2-175.8-64.5168.5146.800112.4P168 T169 Q170 D174 N175P168-E172 HydrophobicContact CB-CB 3.85Å; T169-E172 PolarHBondContact N-OE2 3.18Å; T169-E172 CarbonylContact O-C 3.53Å; T169-E172 PolarHBondContact O-N 2.86Å; T169-E172 VanDerWaalsContact OG1-CD 3.23Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-OE2 2.96Å; Q170-E172 PolarHBondContact O-N 2.94Å; E172-D174 VanDerWaalsContact C-N 3.26Å; E172-D174 PolarHBondContact O-N 3.44Å; E172-N175 WeakPolarHBondContact O-CA 3.47Å; E172-N175 VanDerWaalsContact O-CB 3.25Å; E172-N175 WeakPolarHBondContact O-CB 3.32Å; E172-N175 PolarHBondContact O-N 3.41Å
173A94.6Very high94.4Very high7 Ų763.1 Ų63.16%0.05833%0.326CS..G310 helixtrans-54.4-44.2-177.900000111.8Y39 P168 T169 N175 V176 F177 T179Y39-A173 HydrophobicContact CE2-CB 4.15Å; P168-A173 HydrophobicContact CG-CB 4.42Å; T169-A173 PolarHBondContact O-N 3.48Å; A173-N175 PolarHBondContact O-N 2.94Å; A173-N175 VanDerWaalsContact O-N 3.14Å; A173-V176 PolarHBondContact O-N 2.75Å; A173-F177 PolarHBondContact O-N 3.08Å; A173-T179 HydrophobicContact CB-CG2 4.28Å
174D95.4Very high94.8Very high83 Ų8359.7 Ų59.744%0.44431%0.313SS..G310 helixtrans-70.6-6.6179.4-60-29.3000114.6K104 E172 T179K104-D174 PolarHBondContact NZ-O 2.95Å; K104-D174 VanDerWaalsContact NZ-O 3.13Å; E172-D174 VanDerWaalsContact C-N 3.26Å; E172-D174 PolarHBondContact O-N 3.44Å; D174-T179 WeakPolarHBondContact OD1-CB 3.11Å; D174-T179 WeakPolarHBondContact OD1-CG2 3.13Å; D174-T179 PolarHBondContact OD1-OG1 3.4Å
175N95.3Very high95.1Very high22 Ų2255.9 Ų55.912%0.11829%0.293CS..G310 helixtrans-90-13.4173.3-59.4-27.5000112.4Q103 K104 E172 A173 L188Q103-N175 CarbonylContact C-O 3.56Å; Q103-N175 VanDerWaalsContact CA-O 3.32Å; Q103-N175 WeakPolarHBondContact CA-O 3.15Å; K104-N175 HydrophobicContact CB-CB 4.22Å; K104-N175 PolarHBondContact N-O 3.02Å; K104-N175 WeakPolarHBondContact O-CB 3.49Å; E172-N175 WeakPolarHBondContact O-CA 3.47Å; E172-N175 VanDerWaalsContact O-CB 3.25Å; E172-N175 WeakPolarHBondContact O-CB 3.32Å; E172-N175 PolarHBondContact O-N 3.41Å; A173-N175 PolarHBondContact O-N 2.94Å; A173-N175 VanDerWaalsContact O-N 3.14Å; N175-L188 WeakPolarHBondContact O-CD1 3.39Å
176V96.9Very high95.3Very high6 Ų655.6 Ų55.64%0.03629%0.291CS..THydrogen-bonded Turntrans-121.2-40.6-175.1179.50000111.4P165 P168 A173 Y187 L188P165-V176 HydrophobicContact CB-CG1 3.56Å; P165-V176 HydrophobicContact CG-CG1 4.25Å; P168-V176 HydrophobicContact CB-CB 4.49Å; P168-V176 HydrophobicContact CB-CG2 4.01Å; P168-V176 HydrophobicContact CG-CB 4.13Å; P168-V176 HydrophobicContact CG-CG2 4.16Å; A173-V176 PolarHBondContact O-N 2.75Å; V176-Y187 HydrophobicContact CG1-CD1 3.7Å; V176-Y187 HydrophobicContact CG1-CE1 3.64Å; V176-Y187 WeakPolarHBondContact O-CA 3.24Å; V176-L188 PolarHBondContact O-N 2.8Å
177F98.1Very high95.6Very high1 Ų148.2 Ų48.20%0.00426%0.258CS..BIsolated β-bridgetrans-119.4153.7-174.6-62.2-74.3000112.4T34 F37 M167 P168 A173 T179 Q185 P186 Y187 L188T34-F177 HydrophobicContact CG2-CD1 4.29Å; T34-F177 HydrophobicContact CG2-CE1 3.78Å; T34-F177 HydrophobicContact CG2-CZ 4.22Å; F37-F177 HydrophobicContact CE2-CE2 4.02Å; F37-F177 HydrophobicContact CE2-CZ 4.18Å; F37-F177 HydrophobicContact CZ-CE2 4.04Å; F37-F177 HydrophobicContact CZ-CZ 4.24Å; M167-F177 HydrophobicContact SD-CZ 4.38Å; P168-F177 HydrophobicContact CG-CD2 3.97Å; P168-F177 HydrophobicContact CG-CE2 3.83Å; A173-F177 PolarHBondContact O-N 3.08Å; F177-T179 PolarHBondContact O-N 3.16Å; F177-Q185 HydrophobicContact CB-CG 3.52Å; F177-Q185 HydrophobicContact CD1-CG 4.18Å; F177-Q185 HydrophobicContact CG-CG 3.92Å; F177-P186 CarbonylContact C-O 3.51Å; F177-P186 VanDerWaalsContact CA-O 3.3Å; F177-P186 WeakPolarHBondContact CA-O 3.5Å; F177-Y187 AromaticContact CD1-CD1 3.81Å; F177-Y187 HydrophobicContact CD1-CD1 3.81Å; F177-Y187 HydrophobicContact CD1-CE1 4.14Å; F177-Y187 HydrophobicContact CD1-CG 4.24Å; F177-Y187 AromaticContact CE1-CD1 3.46Å; F177-Y187 HydrophobicContact CE1-CD1 3.46Å; F177-Y187 VanDerWaalsContact CE1-CD1 3.46Å; F177-Y187 HydrophobicContact CE1-CD2 4.39Å; F177-Y187 AromaticContact CE1-CE1 3.33Å; F177-Y187 HydrophobicContact CE1-CE1 3.33Å; F177-Y187 HydrophobicContact CE1-CE2 4.29Å; F177-Y187 HydrophobicContact CE1-CG 4Å; F177-Y187 AromaticContact CE1-CZ 3.79Å; F177-Y187 HydrophobicContact CZ-CD1 4.11Å; F177-Y187 AromaticContact CZ-CE1 3.58Å; F177-Y187 HydrophobicContact CZ-CE1 3.58Å; F177-L188 WeakPolarHBondContact O-CD2 3.38Å
178D97.6Very high95.8Very high12 Ų1243.9 Ų43.96%0.06424%0.237CC..  trans-81.6103.9163.4-168.9-8.6000109.5S180 P186 L188 R209D178-S180 VanDerWaalsContact C-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.19Å; D178-S180 PolarHBondContact OD1-N 3.47Å; D178-S180 VanDerWaalsContact OD1-N 3.17Å; D178-S180 PolarHBondContact OD1-OG 3.05Å; D178-P186 HydrophobicContact CB-CG 3.98Å; D178-P186 PolarHBondContact N-O 3.14Å; D178-L188 HydrophobicContact CB-CD2 4.34Å; D178-R209 VanDerWaalsContact CG-NH1 3.29Å; D178-R209 IonicContact OD1-CZ 2.61Å; D178-R209 IonicContact OD1-NH1 2.96Å; D178-R209 PolarHBondContact OD1-NH1 2.55Å; D178-R209 IonicContact OD1-NH2 2.63Å; D178-R209 PolarHBondContact OD1-NH2 2.96Å; D178-R209 IonicContact OD2-CZ 3.9Å; D178-R209 VanDerWaalsContact OD2-CZ 3.23Å; D178-R209 IonicContact OD2-NH1 3.24Å; D178-R209 PolarHBondContact OD2-NH1 3.07Å; D178-R209 IonicContact OD2-NH2 3.27Å
179T96.6Very high96Very high49 Ų4945.3 Ų45.330%0.30124%0.242SC..  trans-87.3-3.4-176.756.70000113.3K36 A173 D174 F177K36-T179 PolarHBondContact NZ-O 2.89Å; A173-T179 HydrophobicContact CB-CG2 4.28Å; D174-T179 WeakPolarHBondContact OD1-CB 3.11Å; D174-T179 WeakPolarHBondContact OD1-CG2 3.13Å; D174-T179 PolarHBondContact OD1-OG1 3.4Å; F177-T179 PolarHBondContact O-N 3.16Å
180S96.4Very high96.2Very high63 Ų6345 Ų4544%0.44123%0.234SC..  trans-78.4-20.9-172.281.10000114.2D178 R209D178-S180 VanDerWaalsContact C-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.19Å; D178-S180 PolarHBondContact OD1-N 3.47Å; D178-S180 VanDerWaalsContact OD1-N 3.17Å; D178-S180 PolarHBondContact OD1-OG 3.05Å; S180-R209 PolarHBondContact OG-NH1 3.29Å; S180-R209 PolarHBondContact OG-NH2 2.96Å
181L95.8Very high96.4Very high13 Ų1339.8 Ų39.87%0.06821%0.21CC..  trans-80144.1-177.1-55.6-176.3000110.8K36 E71 L72 V184 P186K36-L181 WeakPolarHBondContact CE-O 3.15Å; K36-L181 PolarHBondContact NZ-O 3.22Å; E71-L181 HydrophobicContact CB-CD2 3.8Å; E71-L181 WeakPolarHBondContact OE2-CA 3.22Å; L72-L181 HydrophobicContact CB-CD1 4.11Å; L72-L181 HydrophobicContact CD1-CD1 4.27Å; L181-V184 HydrophobicContact CB-CG1 4.33Å; L181-V184 WeakPolarHBondContact CB-O 3.25Å; L181-V184 HydrophobicContact CD1-CG1 3.91Å; L181-P186 HydrophobicContact CD1-CG 3.91Å
182K94.3Very high96.6Very high150 Ų15036.2 Ų36.265%0.65219%0.185SC*.SBendtrans-78.7-34.9-173.5-67177.1-173.4164.50115K36 E71K36-K182 WeakPolarHBondContact CD-O 3.48Å; E71-K182 IonicContact OE1-NZ 2.77Å; E71-K182 PolarHBondContact OE2-N 3.13Å
183D93.9Very high96.8Very high89 Ų8932.4 Ų32.448%0.47617%0.166SC..SBendtrans-106.5-17.8-168.2-50.9-58.5000113.2
184V97.9Very high96.7Very high0 Ų035.5 Ų35.50%018%0.18CC..  trans-145.8159.7-174.364.40000110.3S33 V50 V67 L72 L181S33-V184 VanDerWaalsContact CB-CG2 3.48Å; V50-V184 HydrophobicContact CG1-CG2 4.41Å; V67-V184 HydrophobicContact CG1-CB 3.8Å; V67-V184 HydrophobicContact CG1-CG1 4.09Å; V67-V184 HydrophobicContact CG1-CG2 3.8Å; L72-V184 HydrophobicContact CD2-CG1 4.26Å; L181-V184 HydrophobicContact CB-CG1 4.33Å; L181-V184 WeakPolarHBondContact CB-O 3.25Å; L181-V184 HydrophobicContact CD1-CG1 3.91Å
185Q98.4Very high96.4Very high5 Ų533 Ų332%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-13186.1175.8-174.3163.3-4600109.6T34 K36 F177T34-Q185 HydrophobicContact CG2-CB 4.48Å; T34-Q185 WeakPolarHBondContact CG2-O 3.22Å; T34-Q185 PolarHBondContact N-O 3.05Å; T34-Q185 VanDerWaalsContact N-O 3.13Å; T34-Q185 PolarHBondContact O-N 3.26Å; K36-Q185 HydrophobicContact CG-CB 4.43Å; F177-Q185 HydrophobicContact CB-CG 3.52Å; F177-Q185 HydrophobicContact CD1-CG 4.18Å; F177-Q185 HydrophobicContact CG-CG 3.92Å
186P98.4Very high95.6Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-68.6155.1175.228.7-31000110.9S33 F177 D178 L181 Y189S33-P186 WeakPolarHBondContact OG-CB 3.33Å; F177-P186 CarbonylContact C-O 3.51Å; F177-P186 VanDerWaalsContact CA-O 3.3Å; F177-P186 WeakPolarHBondContact CA-O 3.5Å; D178-P186 HydrophobicContact CB-CG 3.98Å; D178-P186 PolarHBondContact N-O 3.14Å; L181-P186 HydrophobicContact CD1-CG 3.91Å; P186-Y189 HydrophobicContact CB-CD1 4.31Å; P186-Y189 HydrophobicContact CB-CE1 4.34Å; P186-Y189 HydrophobicContact CG-CD1 4.37Å; P186-Y189 HydrophobicContact CG-CE1 4.03Å
187Y98.5Very high94Very high20 Ų2038.3 Ų38.38%0.07820%0.197CC..BIsolated β-bridgetrans-54.7150.7160.7-76.1-68.9000109.7R32 W118 P165 V176 F177 Y189R32-Y187 HydrophobicContact CB-CD2 4.21Å; R32-Y187 WeakPolarHBondContact O-CD2 3.32Å; R32-Y187 PolarHBondContact O-N 2.87Å; W118-Y187 HydrophobicContact CH2-CD2 4.07Å; W118-Y187 HydrophobicContact CH2-CE2 4.25Å; W118-Y187 HydrophobicContact CH2-CG 4.38Å; W118-Y187 HydrophobicContact CZ2-CD1 4.04Å; W118-Y187 AromaticContact CZ2-CD2 3.87Å; W118-Y187 HydrophobicContact CZ2-CD2 3.87Å; W118-Y187 HydrophobicContact CZ2-CE1 4.49Å; W118-Y187 HydrophobicContact CZ2-CE2 4.33Å; W118-Y187 AromaticContact CZ2-CG 3.71Å; W118-Y187 HydrophobicContact CZ2-CG 3.71Å; P165-Y187 HydrophobicContact CB-CD1 4.44Å; P165-Y187 HydrophobicContact CB-CE1 3.84Å; P165-Y187 HydrophobicContact CG-CD1 3.99Å; P165-Y187 HydrophobicContact CG-CE1 3.69Å; V176-Y187 HydrophobicContact CG1-CD1 3.7Å; V176-Y187 HydrophobicContact CG1-CE1 3.64Å; V176-Y187 WeakPolarHBondContact O-CA 3.24Å; F177-Y187 AromaticContact CD1-CD1 3.81Å; F177-Y187 HydrophobicContact CD1-CD1 3.81Å; F177-Y187 HydrophobicContact CD1-CE1 4.14Å; F177-Y187 HydrophobicContact CD1-CG 4.24Å; F177-Y187 AromaticContact CE1-CD1 3.46Å; F177-Y187 HydrophobicContact CE1-CD1 3.46Å; F177-Y187 VanDerWaalsContact CE1-CD1 3.46Å; F177-Y187 HydrophobicContact CE1-CD2 4.39Å; F177-Y187 AromaticContact CE1-CE1 3.33Å; F177-Y187 HydrophobicContact CE1-CE1 3.33Å; F177-Y187 HydrophobicContact CE1-CE2 4.29Å; F177-Y187 HydrophobicContact CE1-CG 4Å; F177-Y187 AromaticContact CE1-CZ 3.79Å; F177-Y187 HydrophobicContact CZ-CD1 4.11Å; F177-Y187 AromaticContact CZ-CE1 3.58Å; F177-Y187 HydrophobicContact CZ-CE1 3.58Å; Y187-Y189 WeakPolarHBondContact O-CD1 3.33Å; Y187-Y189 PolarHBondContact O-N 2.94Å
188L98.3Very high91.8Very high9 Ų944.5 Ų44.55%0.04724%0.235CC..PPolyproline II helixtrans-57.1126.1173.6-70.9172.4000109.6F101 Y102 K104 N175 V176 F177 D178F101-L188 VanDerWaalsContact CA-O 3.32Å; F101-L188 WeakPolarHBondContact CA-O 3.41Å; Y102-L188 HydrophobicContact CD1-CB 4.3Å; Y102-L188 HydrophobicContact CD2-CB 4.22Å; Y102-L188 HydrophobicContact CD2-CD1 4.35Å; Y102-L188 HydrophobicContact CE1-CB 4.01Å; Y102-L188 HydrophobicContact CE2-CB 3.93Å; Y102-L188 HydrophobicContact CE2-CD1 3.9Å; Y102-L188 HydrophobicContact CE2-CG 4.45Å; Y102-L188 HydrophobicContact CG-CB 4.4Å; Y102-L188 PolarHBondContact N-O 3.38Å; Y102-L188 WeakPolarHBondContact O-CB 3.42Å; K104-L188 HydrophobicContact CD-CD1 4.04Å; K104-L188 HydrophobicContact CG-CD1 3.83Å; N175-L188 WeakPolarHBondContact O-CD1 3.39Å; V176-L188 PolarHBondContact O-N 2.8Å; F177-L188 WeakPolarHBondContact O-CD2 3.38Å; D178-L188 HydrophobicContact CB-CD2 4.34Å
189Y98.4Very high89.6Confident40 Ų4050.9 Ų50.916%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-136.2159.4-178.173.7-84.2000111.5L29 L72 I76 L99 E100 P186 Y187 I191L29-Y189 HydrophobicContact CD2-CD1 4.31Å; L29-Y189 HydrophobicContact CD2-CE1 4.44Å; L29-Y189 HydrophobicContact CD2-CG 4.45Å; L72-Y189 HydrophobicContact CD1-CE1 4.15Å; L72-Y189 VanDerWaalsContact CD1-OH 3.28Å; L72-Y189 WeakPolarHBondContact CD1-OH 3.48Å; I76-Y189 HydrophobicContact CD1-CE2 4.03Å; L99-Y189 HydrophobicContact CD1-CD2 3.55Å; L99-Y189 HydrophobicContact CD1-CE2 4.45Å; L99-Y189 HydrophobicContact CD1-CG 4.03Å; E100-Y189 CarbonylContact O-C 3.57Å; E100-Y189 WeakPolarHBondContact O-CA 3.45Å; P186-Y189 HydrophobicContact CB-CD1 4.31Å; P186-Y189 HydrophobicContact CB-CE1 4.34Å; P186-Y189 HydrophobicContact CG-CD1 4.37Å; P186-Y189 HydrophobicContact CG-CE1 4.03Å; Y187-Y189 WeakPolarHBondContact O-CD1 3.33Å; Y187-Y189 PolarHBondContact O-N 2.94Å; Y189-I191 HydrophobicContact CD2-CD1 4.34Å; Y189-I191 HydrophobicContact CD2-CG1 4.01Å; Y189-I191 HydrophobicContact CE2-CD1 3.95Å; Y189-I191 HydrophobicContact CE2-CG1 4.05Å
190K96.9Very high87.2Confident66 Ų6651.6 Ų51.629%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-134.8146.9166.671.5-176.1-159.9-148.50109.2E100 Y102E100-K190 HydrophobicContact CB-CG 3.93Å; E100-K190 HydrophobicContact CG-CG 4.48Å; E100-K190 PolarHBondContact N-O 2.65Å; E100-K190 PolarHBondContact O-N 2.86Å; E100-K190 WeakPolarHBondContact OE1-CE 3.38Å; E100-K190 IonicContact OE1-NZ 2.63Å; E100-K190 PolarHBondContact OE1-NZ 3.33Å; E100-K190 WeakPolarHBondContact OE2-CE 3.33Å; E100-K190 IonicContact OE2-NZ 3.53Å; E100-K190 PolarHBondContact OE2-NZ 2.99Å; Y102-K190 HydrophobicContact CE1-CB 4.37Å
191I97.8Very high84.8Confident14 Ų1453 Ų537%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-113.3130174.5-60.4176.7000107.9I76 A79 I97 S98 L99 Y189I76-I191 HydrophobicContact CD1-CD1 3.55Å; A79-I191 HydrophobicContact CB-CB 4.29Å; A79-I191 HydrophobicContact CB-CD1 4.22Å; A79-I191 HydrophobicContact CB-CG2 3.93Å; I97-I191 HydrophobicContact CG2-CG2 3.73Å; S98-I191 WeakPolarHBondContact O-CA 3.26Å; L99-I191 HydrophobicContact CD1-CD1 4.35Å; L99-I191 HydrophobicContact CD1-CG1 3.8Å; Y189-I191 HydrophobicContact CD2-CD1 4.34Å; Y189-I191 HydrophobicContact CD2-CG1 4.01Å; Y189-I191 HydrophobicContact CE2-CD1 3.95Å; Y189-I191 HydrophobicContact CE2-CG1 4.05Å
192T97Very high82.7Confident19 Ų1956 Ų5612%0.11731%0.313CS..EExtended strand (participates in β ladder)trans-133.2155.8175.858.50000108.9S98 T206S98-T192 PolarHBondContact N-O 2.85Å; S98-T192 PolarHBondContact O-N 2.91Å; T192-T206 HydrophobicContact CG2-CG2 4.08Å
193F95.8Very high80.9Confident12 Ų1253.4 Ų53.45%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-137157.3174.563.1-103.1000112.6E82 F83 A86 Q96 I97 I195 T205 M207E82-F193 HydrophobicContact CB-CE1 4.24Å; F83-F193 HydrophobicContact CB-CB 4.29Å; F83-F193 HydrophobicContact CB-CD1 3.87Å; F83-F193 HydrophobicContact CB-CE1 4.35Å; F83-F193 HydrophobicContact CB-CG 4.02Å; F83-F193 HydrophobicContact CD2-CB 3.47Å; F83-F193 VanDerWaalsContact CD2-CB 3.47Å; F83-F193 HydrophobicContact CD2-CD1 4.42Å; F83-F193 AromaticContact CD2-CD2 3.95Å; F83-F193 HydrophobicContact CD2-CD2 3.95Å; F83-F193 AromaticContact CD2-CG 3.71Å; F83-F193 HydrophobicContact CD2-CG 3.71Å; F83-F193 HydrophobicContact CE2-CB 4.12Å; F83-F193 HydrophobicContact CG-CB 4.22Å; F83-F193 HydrophobicContact CG-CG 4.35Å; A86-F193 HydrophobicContact CB-CD2 4.42Å; A86-F193 HydrophobicContact CB-CE2 3.57Å; A86-F193 HydrophobicContact CB-CZ 3.99Å; Q96-F193 CarbonylContact O-C 3.56Å; Q96-F193 WeakPolarHBondContact O-CA 3.32Å; Q96-F193 WeakPolarHBondContact O-CB 3.42Å; I97-F193 HydrophobicContact CG1-CB 4.11Å; F193-I195 HydrophobicContact CD2-CD1 4Å; F193-I195 HydrophobicContact CD2-CG1 4.4Å; F193-I195 HydrophobicContact CE2-CD1 4.49Å; F193-T205 HydrophobicContact CZ-CG2 4.2Å; F193-T205 PolarHBondContact N-O 2.63Å; F193-T205 PolarHBondContact O-N 2.83Å; F193-M207 HydrophobicContact CE1-CE 4.32Å
194Q92.2Very high79.2Confident73 Ų7352.6 Ų52.634%0.34131%0.311SS..EExtended strand (participates in β ladder)trans-131.3134.6176.1-64.6177.3-1.200108.7G95 Q96G95-Q194 CarbonylContact C-O 3.56Å; G95-Q194 WeakPolarHBondContact CA-O 3.36Å; Q96-Q194 PolarHBondContact N-O 3.37Å; Q96-Q194 PolarHBondContact O-N 3.1Å
195I89.5Confident77.5Confident30 Ų3055.3 Ų55.315%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-104.9133.1171.5-47.9-46.9000107.6F83 A86 M87 F193 V203F83-I195 HydrophobicContact CD2-CD1 3.66Å; F83-I195 HydrophobicContact CE2-CD1 3.53Å; A86-I195 HydrophobicContact CB-CD1 4.16Å; A86-I195 HydrophobicContact CB-CG1 3.96Å; M87-I195 HydrophobicContact CG-CD1 3.45Å; M87-I195 VanDerWaalsContact CG-CD1 3.45Å; M87-I195 HydrophobicContact CG-CG1 4.42Å; M87-I195 HydrophobicContact CG-CG2 4.44Å; F193-I195 HydrophobicContact CD2-CD1 4Å; F193-I195 HydrophobicContact CD2-CG1 4.4Å; F193-I195 HydrophobicContact CE2-CD1 4.49Å; I195-V203 PolarHBondContact N-O 2.99Å
196T79.8Confident75.3Confident62 Ų6259.1 Ų59.138%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-102.4103.2173.9-50.20000107.4M94M94-T196 HydrophobicContact CE-CG2 4.38Å; M94-T196 PolarHBondContact O-N 2.68Å
197D61.5Low72.9Confident78 Ų7862 Ų6242%0.41737%0.366SS..  trans-69.8150.4172.7-166.3-0.4000110L199 G200D197-L199 PolarHBondContact O-N 3.09Å; D197-G200 PolarHBondContact O-N 3.09Å
198T52.3Low70.1Confident131 Ų13171 Ų7180%0.80440%0.4SS*.THydrogen-bonded Turntrans-51.9-20.8171.456.50000113.4
199L51.3Low67.3Low145 Ų14576.9 Ų76.976%0.75942%0.421SS*.THydrogen-bonded Turntrans-89.34.3175.1-70.7160.9000114.5D197 T201D197-L199 PolarHBondContact O-N 3.09Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.74Å
200G47.1Very low64.2Low65 Ų6582.8 Ų82.867%0.6746%0.455SS*.SBendtrans75.89.8175.400000115.4D197D197-G200 PolarHBondContact O-N 3.09Å
201T46.2Very low61.5Low93 Ų9385 Ų8557%0.57147%0.469SS*.  trans-90.8120.1175.69.50000109.9L199L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.74Å
202S50.3Low58.3Low74 Ų7493 Ų9352%0.51750%0.502SS..EExtended strand (participates in β ladder)trans-95.8127177.9-1750000110.5
203V56.7Low55.3Low97 Ų9799.1 Ų99.159%0.58854%0.535SS*.EExtended strand (participates in β ladder)trans-106.7120.2169.5-178.30000108.1I195I195-V203 PolarHBondContact N-O 2.99Å
204S58.8Low52.2Low72 Ų72104.3 Ų104.350%0.50357%0.568SS.*EExtended strand (participates in β ladder)trans-103.3120178.3-1770000110
205T63Low49.5Very low56 Ų56109 Ų10934%0.34459%0.594SS.*EExtended strand (participates in β ladder)trans-108.8120175.5-56.70000109.3F193F193-T205 HydrophobicContact CZ-CG2 4.2Å; F193-T205 PolarHBondContact N-O 2.63Å; F193-T205 PolarHBondContact O-N 2.83Å
206T51.3Low46.8Very low86 Ų86111.3 Ų111.353%0.52862%0.618SS.*EExtended strand (participates in β ladder)trans-99.7113.5178.3-59.80000110.1T192 R208T192-T206 HydrophobicContact CG2-CG2 4.08Å; T206-R208 HydrophobicContact CG2-CG 4.28Å
207M48.2Very low44.6Very low60 Ų60120.6 Ų120.630%0.29666%0.664SS.*  trans-88.9111.1168.4-64.4-125.5-174.300109.9E82 F193E82-M207 HydrophobicContact CB-CE 3.87Å; E82-M207 HydrophobicContact CG-CE 3.96Å; E82-M207 WeakPolarHBondContact OE1-CE 3.43Å; E82-M207 WeakPolarHBondContact OE2-CE 3.33Å; F193-M207 HydrophobicContact CE1-CE 4.32Å
208R40Very low43.7Very low210 Ų210122.7 Ų122.779%0.79268%0.676SS**  trans-95.5129162.4-71.2-172.6-175.7-171.31.4108T206 L210T206-R208 HydrophobicContact CG2-CG 4.28Å; R208-L210 PolarHBondContact O-N 3.48Å
209R39.6Very low43.3Very low132 Ų132122.3 Ų122.350%0.49867%0.669SS.*  trans-60.6100165.8-167.5173.498.1160.91.8107.6D178 S180 I211D178-R209 VanDerWaalsContact CG-NH1 3.29Å; D178-R209 IonicContact OD1-CZ 2.61Å; D178-R209 IonicContact OD1-NH1 2.96Å; D178-R209 PolarHBondContact OD1-NH1 2.55Å; D178-R209 IonicContact OD1-NH2 2.63Å; D178-R209 PolarHBondContact OD1-NH2 2.96Å; D178-R209 IonicContact OD2-CZ 3.9Å; D178-R209 VanDerWaalsContact OD2-CZ 3.23Å; D178-R209 IonicContact OD2-NH1 3.24Å; D178-R209 PolarHBondContact OD2-NH1 3.07Å; D178-R209 IonicContact OD2-NH2 3.27Å; S180-R209 PolarHBondContact OG-NH1 3.29Å; S180-R209 PolarHBondContact OG-NH2 2.96Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 HydrophobicContact CG-CG1 4.48Å; R209-I211 PolarHBondContact O-N 3.1Å
210L32.3Very low42.8Very low164 Ų164121 Ų12186%0.85966%0.664SS**  trans-68.991.9171-80163.4000107.6R208 K212R208-L210 PolarHBondContact O-N 3.48Å; L210-K212 PolarHBondContact O-N 3.01Å; L210-K212 VanDerWaalsContact O-N 3.16Å
211I40.6Very low42.6Very low113 Ų113124.3 Ų124.358%0.57966%0.664SS**  trans-73104.5159.4-58.3176.7000104.6R209 D213R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 HydrophobicContact CG-CG1 4.48Å; R209-I211 PolarHBondContact O-N 3.1Å; I211-D213 PolarHBondContact O-N 3.21Å; I211-D213 VanDerWaalsContact O-N 3.09Å
212K31.1Very low42.3Very low180 Ų180126.3 Ų126.378%0.78367%0.67SS**  trans-61.9108.1178-161.3176.7-175.2-178.30107.7L210 T214L210-K212 PolarHBondContact O-N 3.01Å; L210-K212 VanDerWaalsContact O-N 3.16Å; K212-T214 PolarHBondContact O-N 3.33Å
213D33.9Very low41.8Very low148 Ų148129.7 Ų129.779%0.79168%0.68SS**  trans-51.6110.5159.7-80.2-32.6000107I211 L215I211-D213 PolarHBondContact O-N 3.21Å; I211-D213 VanDerWaalsContact O-N 3.09Å; D213-L215 PolarHBondContact O-N 2.99Å
214T31.1Very low40.8Very low122 Ų122132.1 Ų132.175%0.74869%0.687SS**  trans-77.188.2163.7-520000105.2K212 A216K212-T214 PolarHBondContact O-N 3.33Å; T214-A216 VanDerWaalsContact C-N 3.27Å; T214-A216 HydrophobicContact CG2-CB 4.24Å; T214-A216 PolarHBondContact O-N 3.05Å
215L35.8Very low39.4Very low170 Ų170136.7 Ų136.789%0.8970%0.701SS**  trans-54.3101.2150-80.9164.9000106.8D213D213-L215 PolarHBondContact O-N 2.99Å
216A32.8Very low37.4Very low80 Ų80143.4 Ų143.466%0.66173%0.73SS**  trans-124.1107.5158.300000106.2T214T214-A216 VanDerWaalsContact C-N 3.27Å; T214-A216 HydrophobicContact CG2-CB 4.24Å; T214-A216 PolarHBondContact O-N 3.05Å
217L32.1Very low36.1Very low256 Ų256148.6 Ų148.6100%1.3475%0.749SS**  trans20.10163.6-80.2126.3000118.9

Retrieved 217 of 217 residues in 345.5 ms (Link to these results)

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