A0A0D9RF78_CHLSB Loading...

TIP41-like protein

AlphaFold DB , UniProt , Accession A0A0D9RF78, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene TIPRL, Length 272 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
1M33.6Very low59.7Low240 Ų240133.5 Ų133.5100%1.18268%0.682SS**  0114.10-83.4168.1168.700107I3M1-I3 PolarHBondContact O-N 2.71Å
2M27.7Very low62.6Low182 Ų182128.6 Ų128.690%0.89766%0.659SS**  trans-73.4109177.2-71.3-140.4-80.600108.4H4M2-H4 PolarHBondContact O-N 3.34Å
3I37Very low65Low162 Ų162122.5 Ų122.583%0.83163%0.625SS**  trans-53.2118.4165.2-52.2171.2000105M1 G5M1-I3 PolarHBondContact O-N 2.71Å; I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.32Å
4H36.9Very low67.1Low184 Ų184120.3 Ų120.385%0.85262%0.624SS**  trans-58.7101.6171.6-86.326.1000106.7M2 F6M2-H4 PolarHBondContact O-N 3.34Å; H4-F6 PolarHBondContact O-N 3.03Å
5G44.2Very low68.6Low62 Ų62114.6 Ų114.664%0.63959%0.593SS**  trans-57131.5-178.500000108.6I3 Q7I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.32Å; G5-Q7 PolarHBondContact O-N 3.14Å
6F56.2Low69.8Low120 Ų120112.3 Ų112.353%0.52661%0.606SS.*  trans-49.3114.4170.1-178.7-82.6000108.4H4 S8 T25 H26 F50H4-F6 PolarHBondContact O-N 3.03Å; F6-S8 PolarHBondContact O-N 3.36Å; F6-T25 WeakPolarHBondContact CE1-O 3.36Å; F6-T25 WeakPolarHBondContact CZ-O 3.38Å; F6-H26 HydrophobicContact CD1-CB 4.41Å; F6-F50 HydrophobicContact CE2-CE1 4.47Å
7Q63.4Low71.1Confident172 Ų172109.9 Ų109.980%0.80460%0.598SS**  trans-88.5106.4-177.5-165.7170.31.800107.9G5 S9G5-Q7 PolarHBondContact O-N 3.14Å; Q7-S9 PolarHBondContact O-N 2.96Å
8S80.9Confident72.4Confident76 Ų76104.3 Ų104.353%0.53157%0.566SS.*  trans-53.7128.8170.7-177.40000109.1F6 K24F6-S8 PolarHBondContact O-N 3.36Å; S8-K24 CarbonylContact C-O 3.59Å; S8-K24 VanDerWaalsContact CA-O 3.23Å; S8-K24 WeakPolarHBondContact CA-O 3.36Å; S8-K24 PolarHBondContact OG-O 2.88Å
9S89.6Confident73.7Confident39 Ų39103.2 Ų103.227%0.27356%0.555SS.*EExtended strand (participates in β ladder)trans-123.7130.5-179.476.30000109.5Q7 K24Q7-S9 PolarHBondContact O-N 2.96Å; S9-K24 PolarHBondContact N-O 3.37Å; S9-K24 PolarHBondContact O-N 2.84Å
10H92.5Very high74.8Confident115 Ų11598 Ų9853%0.53253%0.528SS..EExtended strand (participates in β ladder)trans-122.7121171.8-173.581.2000108D12 T21 A22 S23H10-D12 IonicContact NE2-OD1 2.73Å; H10-D12 IonicContact NE2-OD2 3.68Å; H10-T21 WeakPolarHBondContact CE1-CG2 3.21Å; H10-A22 WeakPolarHBondContact CA-O 3.31Å; H10-S23 PolarHBondContact ND1-OG 2.97Å
11R94.4Very high75.9Confident116 Ų11694.1 Ų94.144%0.43851%0.507SS..EExtended strand (participates in β ladder)trans-126.8120.1-178.3-69.3-17464.4-157.58.9109.6A22 E151R11-A22 PolarHBondContact N-O 3.09Å; R11-A22 PolarHBondContact O-N 3.38Å; R11-E151 WeakPolarHBondContact CD-OE2 3.49Å; R11-E151 IonicContact CZ-OE2 2.92Å; R11-E151 IonicContact NE-OE2 2.74Å; R11-E151 IonicContact NH1-OE2 2.71Å; R11-E151 PolarHBondContact NH1-OE2 2.93Å
12D94.5Very high78.9Confident75 Ų7582.7 Ų82.740%0.40145%0.451SS..EExtended strand (participates in β ladder)trans-103.3137.6170.4-83-15.1000109.5H10 K19 L20 T21H10-D12 IonicContact NE2-OD1 2.73Å; H10-D12 IonicContact NE2-OD2 3.68Å; D12-K19 WeakPolarHBondContact OD1-CE 3.19Å; D12-K19 IonicContact OD1-NZ 3.72Å; D12-K19 WeakPolarHBondContact OD2-CE 3.32Å; D12-K19 IonicContact OD2-NZ 2.75Å; D12-K19 PolarHBondContact OD2-NZ 3.24Å; D12-L20 CarbonylContact C-O 3.57Å; D12-L20 VanDerWaalsContact CA-O 3.29Å; D12-L20 WeakPolarHBondContact CA-O 3.33Å; D12-T21 WeakPolarHBondContact OD1-CA 3.26Å; D12-T21 VanDerWaalsContact OD1-CB 3.29Å; D12-T21 WeakPolarHBondContact OD1-CB 3.43Å; D12-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D12-T21 PolarHBondContact OD1-OG1 2.96Å
13F94.8Very high82.2Confident50 Ų5075 Ų7522%0.21942%0.416CS..EExtended strand (participates in β ladder)trans-138.7122.4174.5-178.7-102.8000110.2F15 L20 K148 F149 V174F13-F15 HydrophobicContact CD1-CB 4.44Å; F13-F15 HydrophobicContact CD1-CD1 4.3Å; F13-F15 HydrophobicContact CE1-CB 3.79Å; F13-F15 HydrophobicContact CE1-CD1 4.29Å; F13-F15 HydrophobicContact CE1-CG 4.32Å; F13-F15 HydrophobicContact CZ-CB 4.46Å; F13-L20 HydrophobicContact CB-CB 4.38Å; F13-L20 HydrophobicContact CD1-CD1 4.36Å; F13-L20 PolarHBondContact N-O 3.27Å; F13-L20 PolarHBondContact O-N 3.35Å; F13-K148 HydrophobicContact CZ-CB 4.05Å; F13-F149 HydrophobicContact CB-CD1 4.41Å; F13-F149 HydrophobicContact CB-CD2 3.59Å; F13-F149 HydrophobicContact CB-CE1 4.47Å; F13-F149 HydrophobicContact CB-CE2 3.67Å; F13-F149 HydrophobicContact CB-CG 3.97Å; F13-F149 HydrophobicContact CB-CZ 4.12Å; F13-F149 HydrophobicContact CD1-CB 3.64Å; F13-F149 HydrophobicContact CD1-CD1 4.34Å; F13-F149 HydrophobicContact CD1-CD2 4.18Å; F13-F149 AromaticContact CD1-CG 3.81Å; F13-F149 HydrophobicContact CD1-CG 3.81Å; F13-F149 HydrophobicContact CD2-CB 4.12Å; F13-F149 AromaticContact CD2-CD2 3.82Å; F13-F149 HydrophobicContact CD2-CD2 3.82Å; F13-F149 HydrophobicContact CD2-CG 4.21Å; F13-F149 HydrophobicContact CE1-CB 3.67Å; F13-F149 HydrophobicContact CE1-CG 4.36Å; F13-F149 HydrophobicContact CE2-CB 4.16Å; F13-F149 HydrophobicContact CG-CB 3.87Å; F13-F149 HydrophobicContact CG-CD1 4.46Å; F13-F149 AromaticContact CG-CD2 3.59Å; F13-F149 HydrophobicContact CG-CD2 3.59Å; F13-F149 HydrophobicContact CG-CE2 4.22Å; F13-F149 AromaticContact CG-CG 3.73Å; F13-F149 HydrophobicContact CG-CG 3.73Å; F13-F149 HydrophobicContact CZ-CB 3.94Å; F13-V174 HydrophobicContact CE1-CB 4.27Å; F13-V174 HydrophobicContact CE1-CG1 4.01Å
14C93.8Very high85Confident91 Ų9169.7 Ų69.762%0.61539%0.386SS*.EExtended strand (participates in β ladder)trans-101.6135.4177.8-610000110.4W18C14-W18 CarbonylContact C-O 3.57Å; C14-W18 WeakPolarHBondContact CA-O 3.43Å
15F89.2Confident87.7Confident35 Ų3561.8 Ų61.815%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-143.8116.1172.676.4-76.8000110.2F13 W18 L20 V174 F179F13-F15 HydrophobicContact CD1-CB 4.44Å; F13-F15 HydrophobicContact CD1-CD1 4.3Å; F13-F15 HydrophobicContact CE1-CB 3.79Å; F13-F15 HydrophobicContact CE1-CD1 4.29Å; F13-F15 HydrophobicContact CE1-CG 4.32Å; F13-F15 HydrophobicContact CZ-CB 4.46Å; F15-W18 HydrophobicContact CD1-CB 3.68Å; F15-W18 HydrophobicContact CD2-CB 4.47Å; F15-W18 HydrophobicContact CE1-CB 3.14Å; F15-W18 AromaticContact CE1-CG 3.75Å; F15-W18 HydrophobicContact CE1-CG 3.75Å; F15-W18 HydrophobicContact CE2-CB 4.06Å; F15-W18 AromaticContact CE2-CD1 3.37Å; F15-W18 AromaticContact CE2-CG 3.92Å; F15-W18 HydrophobicContact CE2-CG 3.92Å; F15-W18 HydrophobicContact CG-CB 4.3Å; F15-W18 HydrophobicContact CZ-CB 3.37Å; F15-W18 AromaticContact CZ-CD1 3.32Å; F15-W18 HydrophobicContact CZ-CD2 4.32Å; F15-W18 AromaticContact CZ-CG 3.39Å; F15-W18 HydrophobicContact CZ-CG 3.39Å; F15-W18 PolarHBondContact N-O 3.32Å; F15-W18 WeakPolarHBondContact O-CB 3.43Å; F15-W18 PolarHBondContact O-N 3.45Å; F15-L20 HydrophobicContact CD1-CD1 3.37Å; F15-L20 HydrophobicContact CE1-CD1 3.11Å; F15-L20 HydrophobicContact CZ-CD1 4.33Å; F15-V174 HydrophobicContact CB-CG1 4.47Å; F15-V174 HydrophobicContact CD1-CG1 4.06Å; F15-V174 HydrophobicContact CD2-CG1 4.01Å; F15-V174 HydrophobicContact CE1-CG1 4.37Å; F15-V174 HydrophobicContact CE2-CG1 4.3Å; F15-V174 HydrophobicContact CG-CG1 3.89Å; F15-V174 HydrophobicContact CZ-CG1 4.49Å; F15-F179 HydrophobicContact CE1-CD1 4.4Å; F15-F179 AromaticContact CE2-CD1 3.91Å; F15-F179 HydrophobicContact CE2-CD1 3.91Å; F15-F179 HydrophobicContact CE2-CE1 4.46Å; F15-F179 AromaticContact CZ-CD1 3.39Å; F15-F179 HydrophobicContact CZ-CD1 3.39Å; F15-F179 AromaticContact CZ-CE1 3.78Å; F15-F179 HydrophobicContact CZ-CE1 3.78Å; F15-F179 HydrophobicContact CZ-CG 4.36Å
16G88.2Confident89.9Confident78 Ų7863.3 Ų63.380%0.80434%0.341SS*.THydrogen-bonded Turntrans55.9-129.8-172.500000111.3W18G16-W18 PolarHBondContact O-N 3.27Å
17P91.5Very high91.7Very high71 Ų7161.3 Ų61.346%0.46134%0.335SS..THydrogen-bonded Turntrans-83.24178.537.2-37.5000113.6H59 G60P17-H59 VanDerWaalsContact CB-NE2 3.34Å; P17-H59 WeakPolarHBondContact CB-NE2 3.31Å; P17-H59 WeakPolarHBondContact CG-NE2 3.46Å; P17-H59 CarbonylContact O-C 3.54Å; P17-G60 PolarHBondContact O-N 3.27Å
18W94.8Very high93Very high10 Ų1055.1 Ų55.14%0.03831%0.307CS..EExtended strand (participates in β ladder)trans-102.8139.8-174.6-60103.4000112C14 F15 G16 I57 Q58 H59 F63 H203 M210 F254C14-W18 CarbonylContact C-O 3.57Å; C14-W18 WeakPolarHBondContact CA-O 3.43Å; F15-W18 HydrophobicContact CD1-CB 3.68Å; F15-W18 HydrophobicContact CD2-CB 4.47Å; F15-W18 HydrophobicContact CE1-CB 3.14Å; F15-W18 AromaticContact CE1-CG 3.75Å; F15-W18 HydrophobicContact CE1-CG 3.75Å; F15-W18 HydrophobicContact CE2-CB 4.06Å; F15-W18 AromaticContact CE2-CD1 3.37Å; F15-W18 AromaticContact CE2-CG 3.92Å; F15-W18 HydrophobicContact CE2-CG 3.92Å; F15-W18 HydrophobicContact CG-CB 4.3Å; F15-W18 HydrophobicContact CZ-CB 3.37Å; F15-W18 AromaticContact CZ-CD1 3.32Å; F15-W18 HydrophobicContact CZ-CD2 4.32Å; F15-W18 AromaticContact CZ-CG 3.39Å; F15-W18 HydrophobicContact CZ-CG 3.39Å; F15-W18 PolarHBondContact N-O 3.32Å; F15-W18 WeakPolarHBondContact O-CB 3.43Å; F15-W18 PolarHBondContact O-N 3.45Å; G16-W18 PolarHBondContact O-N 3.27Å; W18-I57 HydrophobicContact CD2-CG2 4.47Å; W18-I57 HydrophobicContact CE3-CG2 3.74Å; W18-I57 HydrophobicContact CZ3-CG2 4.18Å; W18-Q58 CarbonylContact C-O 3.59Å; W18-Q58 WeakPolarHBondContact CA-O 3.33Å; W18-H59 AromaticContact CE2-CD2 3.87Å; W18-H59 HydrophobicContact CE3-CB 3.92Å; W18-H59 HydrophobicContact CH2-CB 4.08Å; W18-H59 AromaticContact CH2-CD2 3.84Å; W18-H59 AromaticContact CZ2-CD2 3.77Å; W18-H59 HydrophobicContact CZ3-CB 3.61Å; W18-F63 AromaticContact CH2-CE2 3.76Å; W18-F63 HydrophobicContact CH2-CE2 3.76Å; W18-F63 HydrophobicContact CH2-CZ 4.26Å; W18-F63 HydrophobicContact CZ3-CE2 4.19Å; W18-H203 AromaticContact CE2-NE2 3.9Å; W18-H203 AromaticContact CZ2-NE2 3.84Å; W18-H203 AromaticContact NE1-CD2 3.92Å; W18-H203 AromaticContact NE1-NE2 3.46Å; W18-H203 PolarHBondContact NE1-NE2 3.49Å; W18-M210 HydrophobicContact CE3-CE 4.42Å; W18-M210 HydrophobicContact CH2-CE 3.11Å; W18-M210 HydrophobicContact CZ2-CE 3.75Å; W18-M210 HydrophobicContact CZ3-CE 3.5Å; W18-F254 HydrophobicContact CH2-CE1 4.02Å; W18-F254 HydrophobicContact CH2-CE2 4.17Å; W18-F254 AromaticContact CH2-CZ 3.64Å; W18-F254 HydrophobicContact CH2-CZ 3.64Å; W18-F254 HydrophobicContact CZ2-CE1 4.27Å; W18-F254 AromaticContact CZ2-CE2 3.74Å; W18-F254 HydrophobicContact CZ2-CE2 3.74Å; W18-F254 AromaticContact CZ2-CZ 3.43Å; W18-F254 HydrophobicContact CZ2-CZ 3.43Å; W18-F254 VanDerWaalsContact CZ2-CZ 3.43Å
19K96.5Very high93.5Very high82 Ų8258.1 Ų58.136%0.35731%0.31SS..EExtended strand (participates in β ladder)trans-114.8121.3167.6-176.3179.6179.9-175.90109D12 Q58D12-K19 WeakPolarHBondContact OD1-CE 3.19Å; D12-K19 IonicContact OD1-NZ 3.72Å; D12-K19 WeakPolarHBondContact OD2-CE 3.32Å; D12-K19 IonicContact OD2-NZ 2.75Å; D12-K19 PolarHBondContact OD2-NZ 3.24Å; K19-Q58 PolarHBondContact N-O 3.33Å; K19-Q58 PolarHBondContact O-N 2.93Å
20L96.9Very high93.4Very high0 Ų060.5 Ų60.50%033%0.327CS..EExtended strand (participates in β ladder)trans-91.9138.4164.3-75.274.9000109D12 F13 F15 R56 I57 F149 I172 V174D12-L20 CarbonylContact C-O 3.57Å; D12-L20 VanDerWaalsContact CA-O 3.29Å; D12-L20 WeakPolarHBondContact CA-O 3.33Å; F13-L20 HydrophobicContact CB-CB 4.38Å; F13-L20 HydrophobicContact CD1-CD1 4.36Å; F13-L20 PolarHBondContact N-O 3.27Å; F13-L20 PolarHBondContact O-N 3.35Å; F15-L20 HydrophobicContact CD1-CD1 3.37Å; F15-L20 HydrophobicContact CE1-CD1 3.11Å; F15-L20 HydrophobicContact CZ-CD1 4.33Å; L20-R56 CarbonylContact C-O 3.6Å; L20-R56 VanDerWaalsContact CA-O 3.26Å; L20-R56 WeakPolarHBondContact CA-O 3.44Å; L20-I57 HydrophobicContact CG-CG1 4.48Å; L20-F149 HydrophobicContact CD2-CD1 3.7Å; L20-F149 HydrophobicContact CD2-CE1 3.66Å; L20-I172 HydrophobicContact CD2-CD1 3.58Å; L20-I172 HydrophobicContact CD2-CG1 4.13Å; L20-I172 HydrophobicContact CD2-CG2 3.91Å; L20-I172 HydrophobicContact CG-CD1 4.35Å; L20-V174 HydrophobicContact CD1-CG2 4.27Å; L20-V174 HydrophobicContact CD2-CG2 3.67Å
21T97.6Very high93.3Very high16 Ų1658.4 Ų58.410%0.09833%0.329CS..EExtended strand (participates in β ladder)trans-128.9124.9169.7-65.30000108.4H10 D12 L55 R56H10-T21 WeakPolarHBondContact CE1-CG2 3.21Å; D12-T21 WeakPolarHBondContact OD1-CA 3.26Å; D12-T21 VanDerWaalsContact OD1-CB 3.29Å; D12-T21 WeakPolarHBondContact OD1-CB 3.43Å; D12-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D12-T21 PolarHBondContact OD1-OG1 2.96Å; T21-L55 WeakPolarHBondContact O-CA 3.42Å; T21-R56 PolarHBondContact N-O 3.49Å; T21-R56 PolarHBondContact O-N 3.03Å
22A97.2Very high93.1Very high1 Ų156.9 Ų56.91%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-120.3119.4173.400000109.4H10 R11 V54 L55 E151 V153H10-A22 WeakPolarHBondContact CA-O 3.31Å; R11-A22 PolarHBondContact N-O 3.09Å; R11-A22 PolarHBondContact O-N 3.38Å; A22-V54 WeakPolarHBondContact CA-O 3.3Å; A22-L55 HydrophobicContact CB-CD1 3.8Å; A22-E151 HydrophobicContact CB-CG 3.58Å; A22-V153 HydrophobicContact CB-CG2 4.15Å
23S96.4Very high92.8Very high21 Ų2155 Ų5515%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-111.5129.9172.6-61.80000109.2H10 N53 V54H10-S23 PolarHBondContact ND1-OG 2.97Å; S23-N53 WeakPolarHBondContact O-CA 3.41Å; S23-V54 PolarHBondContact N-O 2.88Å; S23-V54 PolarHBondContact O-N 2.81Å
24K95.6Very high92.5Very high49 Ų4958.7 Ų58.721%0.21334%0.339CS..EExtended strand (participates in β ladder)trans-126.7116.2170.5-48.1-175.5-160.8-176.40108.3S8 S9 N53 E151 E152 V153S8-K24 CarbonylContact C-O 3.59Å; S8-K24 VanDerWaalsContact CA-O 3.23Å; S8-K24 WeakPolarHBondContact CA-O 3.36Å; S8-K24 PolarHBondContact OG-O 2.88Å; S9-K24 PolarHBondContact N-O 3.37Å; S9-K24 PolarHBondContact O-N 2.84Å; K24-N53 VanDerWaalsContact CA-OD1 3.29Å; K24-N53 WeakPolarHBondContact CA-OD1 3.26Å; K24-E151 WeakPolarHBondContact CE-OE1 3.36Å; K24-E151 IonicContact NZ-OE1 2.64Å; K24-E151 PolarHBondContact NZ-OE1 2.9Å; K24-E152 WeakPolarHBondContact CE-O 3.34Å; K24-E152 PolarHBondContact NZ-O 2.82Å; K24-V153 HydrophobicContact CG-CG1 4.43Å; K24-V153 HydrophobicContact CG-CG2 4.22Å
25T92.9Very high92.4Very high19 Ų1960.4 Ų60.412%0.11734%0.336CS..  trans-127.7-178.9-176.266.90000109.5F6 F50 D52 N53F6-T25 WeakPolarHBondContact CE1-O 3.36Å; F6-T25 WeakPolarHBondContact CZ-O 3.38Å; T25-F50 VanDerWaalsContact O-CD1 3.29Å; T25-F50 WeakPolarHBondContact O-CD1 3.31Å; T25-D52 HydrophobicContact CG2-CB 3.99Å; T25-D52 WeakPolarHBondContact OG1-CB 3.34Å; T25-N53 PolarHBondContact N-OD1 2.9Å; T25-N53 PolarHBondContact OG1-OD1 2.8Å
26H91.8Very high92.5Very high93 Ų9359.3 Ų59.343%0.43133%0.332SS..PPolyproline II helixtrans-72164178.361.6-70.1000111.3F6F6-H26 HydrophobicContact CD1-CB 4.41Å
27I92.8Very high92.5Very high79 Ų7955.9 Ų55.941%0.40530%0.296SS..PPolyproline II helixtrans-59.3149.917161.9172.9000111M48 M49 F50I27-M48 HydrophobicContact CG2-CB 4.18Å; I27-M48 HydrophobicContact CG2-CG 4.48Å; I27-M49 CarbonylContact C-O 3.59Å; I27-M49 WeakPolarHBondContact CA-O 3.31Å; I27-F50 HydrophobicContact CG2-CD1 4.08Å; I27-F50 HydrophobicContact CG2-CE1 3.66Å; I27-F50 HydrophobicContact CG2-CE2 4.26Å; I27-F50 HydrophobicContact CG2-CZ 3.76Å
28M91.3Very high92.3Very high42 Ų4258.5 Ų58.521%0.20731%0.306CS..PPolyproline II helixtrans-59149.4176.7-69.9-178.571.700111.3D32 V33 L36 M49 G51M28-D32 HydrophobicContact CE-CB 3.64Å; M28-V33 HydrophobicContact CB-CG2 3.54Å; M28-L36 HydrophobicContact CE-CB 4.32Å; M28-L36 HydrophobicContact CE-CD2 3.94Å; M28-L36 HydrophobicContact SD-CD2 3.93Å; M28-M49 HydrophobicContact CG-CG 4.23Å; M28-M49 PolarHBondContact N-O 3.09Å; M28-M49 HydrophobicContact SD-CE 4.27Å; M28-M49 HydrophobicContact SD-CG 3.59Å; M28-M49 VanDerWaalsContact SD-CG 3.59Å; M28-G51 VanDerWaalsContact SD-CA 3.58Å
29K91.2Very high92.1Very high138 Ų13863.3 Ų63.360%0.633%0.329SS*.PPolyproline II helixtrans-78.7151.5174.3-64.5172.9178.8169.10109.9A31 D32 V33K29-A31 VanDerWaalsContact C-N 3.29Å; K29-A31 PolarHBondContact O-N 3.13Å; K29-A31 VanDerWaalsContact O-N 3.14Å; K29-D32 PolarHBondContact O-N 3.05Å; K29-V33 WeakPolarHBondContact O-CG2 3.06Å; K29-V33 PolarHBondContact O-N 3.3Å
30S88.1Confident91.7Very high90 Ų9060 Ų6063%0.62932%0.315SS*.Hα-helixtrans-50.8-43.4-175.6-480000113.9D32 V33 E34S30-D32 VanDerWaalsContact C-N 3.34Å; S30-D32 PolarHBondContact O-N 3.29Å; S30-V33 WeakPolarHBondContact O-CB 3.08Å; S30-V33 PolarHBondContact O-N 3.22Å; S30-E34 WeakPolarHBondContact O-CG 3.49Å; S30-E34 PolarHBondContact O-N 2.83Å
31A89.6Confident91.1Very high70 Ų7066.5 Ų66.558%0.57935%0.345SS*.Hα-helixtrans-63.9-36.417900000113.3K29 K35K29-A31 VanDerWaalsContact C-N 3.29Å; K29-A31 PolarHBondContact O-N 3.13Å; K29-A31 VanDerWaalsContact O-N 3.14Å; A31-K35 WeakPolarHBondContact O-CB 3.19Å; A31-K35 PolarHBondContact O-N 3.44Å
32D90.3Very high90.4Very high84 Ų8466.1 Ų66.145%0.44934%0.342SS..Hα-helixtrans-76.7-32.5177.7-59.7-48.4000111M28 K29 S30 L36M28-D32 HydrophobicContact CE-CB 3.64Å; K29-D32 PolarHBondContact O-N 3.05Å; S30-D32 VanDerWaalsContact C-N 3.34Å; S30-D32 PolarHBondContact O-N 3.29Å; D32-L36 VanDerWaalsContact O-CB 3.3Å; D32-L36 WeakPolarHBondContact O-CB 3.17Å; D32-L36 PolarHBondContact O-N 2.63Å
33V89.4Confident89.7Confident35 Ų3570.2 Ų70.221%0.21237%0.369CS..Hα-helixtrans-63.5-50.2173.5168.80000110.9M28 K29 S30 K35 L36 A37 L45M28-V33 HydrophobicContact CB-CG2 3.54Å; K29-V33 WeakPolarHBondContact O-CG2 3.06Å; K29-V33 PolarHBondContact O-N 3.3Å; S30-V33 WeakPolarHBondContact O-CB 3.08Å; S30-V33 PolarHBondContact O-N 3.22Å; V33-K35 PolarHBondContact O-N 3.37Å; V33-L36 PolarHBondContact O-N 2.94Å; V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 3.37Å; V33-L45 HydrophobicContact CG1-CB 4.03Å; V33-L45 HydrophobicContact CG1-CD1 4.05Å; V33-L45 HydrophobicContact CG1-CG 4.07Å
34E88.4Confident89.1Confident128 Ų12871.2 Ų71.260%0.59838%0.376SS*.Hα-helixtrans-59.3-47.3178.6-73.8171.2-163.900111.1S30 L36 A37 D38S30-E34 WeakPolarHBondContact O-CG 3.49Å; S30-E34 PolarHBondContact O-N 2.83Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.38Å; E34-A37 WeakPolarHBondContact O-CB 3.41Å; E34-A37 PolarHBondContact O-N 2.95Å; E34-D38 PolarHBondContact O-N 2.94Å
35K91.4Very high88.8Confident127 Ų12769.3 Ų69.355%0.55237%0.368SS*.Hα-helixtrans-59.7-44.4177.4-175.5-176.3174.5-166.40112.2A31 V33 D38 E39A31-K35 WeakPolarHBondContact O-CB 3.19Å; A31-K35 PolarHBondContact O-N 3.44Å; V33-K35 PolarHBondContact O-N 3.37Å; K35-D38 PolarHBondContact O-N 2.98Å; K35-E39 VanDerWaalsContact CE-OE1 3.23Å; K35-E39 WeakPolarHBondContact CE-OE1 3.11Å; K35-E39 WeakPolarHBondContact O-CG 3.21Å; K35-E39 PolarHBondContact O-N 3.19Å
36L90.5Very high88.8Confident13 Ų1368.6 Ų68.67%0.06836%0.364CS..Hα-helixtrans-70.1-35.6179.2179.661.7000111.7M28 D32 V33 E34 D38 E39 L40 L45 M49 T70M28-L36 HydrophobicContact CE-CB 4.32Å; M28-L36 HydrophobicContact CE-CD2 3.94Å; M28-L36 HydrophobicContact SD-CD2 3.93Å; D32-L36 VanDerWaalsContact O-CB 3.3Å; D32-L36 WeakPolarHBondContact O-CB 3.17Å; D32-L36 PolarHBondContact O-N 2.63Å; V33-L36 PolarHBondContact O-N 2.94Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.38Å; L36-D38 VanDerWaalsContact C-N 3.34Å; L36-E39 PolarHBondContact O-N 3Å; L36-L40 HydrophobicContact CD1-CD1 3.95Å; L36-L40 HydrophobicContact CD1-CG 3.94Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.29Å; L36-L40 WeakPolarHBondContact O-CB 3.13Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.2Å; L36-L45 HydrophobicContact CB-CD1 3.88Å; L36-L45 HydrophobicContact CD2-CD1 3.71Å; L36-L45 HydrophobicContact CG-CD1 3.8Å; L36-M49 HydrophobicContact CD2-CE 3.9Å; L36-T70 HydrophobicContact CD1-CG2 3.86Å; L36-T70 HydrophobicContact CD2-CG2 4.47Å
37A88.6Confident88.7Confident6 Ų669 Ų695%0.0537%0.366CS..Hα-helixtrans-59.2-46173.300000111.2V33 E34 L40 H41 M42 L45V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 3.37Å; E34-A37 WeakPolarHBondContact O-CB 3.41Å; E34-A37 PolarHBondContact O-N 2.95Å; A37-L40 CarbonylContact O-C 3.52Å; A37-L40 PolarHBondContact O-N 3.46Å; A37-H41 PolarHBondContact O-N 2.86Å; A37-M42 PolarHBondContact O-N 2.83Å; A37-L45 HydrophobicContact CB-CD2 4.07Å; A37-L45 HydrophobicContact CB-CG 4.01Å
38D87.9Confident88.7Confident125 Ų12567.8 Ų67.867%0.66836%0.359SS*.Hα-helixtrans-61-46.4175.2-74.3-23.2000111.8E34 K35 L36 L40 H41E34-D38 PolarHBondContact O-N 2.94Å; K35-D38 PolarHBondContact O-N 2.98Å; L36-D38 VanDerWaalsContact C-N 3.34Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.89Å; D38-H41 PolarHBondContact O-N 3.36Å; D38-H41 VanDerWaalsContact O-N 3.08Å
39E90.1Very high88.9Confident111 Ų11165.9 Ų65.952%0.51935%0.35SS..Hα-helixtrans-60.1-39.4177.3-75177.1-167.400112.2K35 L36 H41K35-E39 VanDerWaalsContact CE-OE1 3.23Å; K35-E39 WeakPolarHBondContact CE-OE1 3.11Å; K35-E39 WeakPolarHBondContact O-CG 3.21Å; K35-E39 PolarHBondContact O-N 3.19Å; L36-E39 PolarHBondContact O-N 3Å; E39-H41 VanDerWaalsContact C-N 3.3Å; E39-H41 PolarHBondContact O-ND1 3.39Å
40L87.2Confident89Confident13 Ų1360.1 Ų60.17%0.06833%0.325CS..Hα-helixtrans-82.4-6.6178.1-62.6179.6000112.9L36 A37 D38 M42 L45 L73 R74 N78L36-L40 HydrophobicContact CD1-CD1 3.95Å; L36-L40 HydrophobicContact CD1-CG 3.94Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.29Å; L36-L40 WeakPolarHBondContact O-CB 3.13Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.2Å; A37-L40 CarbonylContact O-C 3.52Å; A37-L40 PolarHBondContact O-N 3.46Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.89Å; L40-M42 VanDerWaalsContact C-N 3.27Å; L40-M42 HydrophobicContact CB-CG 3.94Å; L40-M42 HydrophobicContact CB-SD 3.58Å; L40-M42 VanDerWaalsContact CB-SD 3.58Å; L40-M42 HydrophobicContact CD1-SD 3.77Å; L40-M42 HydrophobicContact CG-SD 4.32Å; L40-M42 PolarHBondContact O-N 2.78Å; L40-L45 HydrophobicContact CD1-CD2 4.16Å; L40-L73 HydrophobicContact CD1-CB 3.73Å; L40-L73 HydrophobicContact CD1-CD1 4.34Å; L40-R74 HydrophobicContact CD2-CB 4.47Å; L40-R74 HydrophobicContact CD2-CG 3.35Å; L40-N78 PolarHBondContact O-ND2 3.11Å
41H84.9Confident89.2Confident136 Ų13656.7 Ų56.763%0.6330%0.303SS*.THydrogen-bonded Turntrans57.339.1-173.7-50.974.5000112.7A37 D38 E39A37-H41 PolarHBondContact O-N 2.86Å; D38-H41 PolarHBondContact O-N 3.36Å; D38-H41 VanDerWaalsContact O-N 3.08Å; E39-H41 VanDerWaalsContact C-N 3.3Å; E39-H41 PolarHBondContact O-ND1 3.39Å
42M82.8Confident89.5Confident8 Ų858.5 Ų58.54%0.03930%0.303CS..  trans-109140.8178.7-66.7165.364.700109.7A37 L40 S44 L45 L73 Y108 Y112A37-M42 PolarHBondContact O-N 2.83Å; L40-M42 VanDerWaalsContact C-N 3.27Å; L40-M42 HydrophobicContact CB-CG 3.94Å; L40-M42 HydrophobicContact CB-SD 3.58Å; L40-M42 VanDerWaalsContact CB-SD 3.58Å; L40-M42 HydrophobicContact CD1-SD 3.77Å; L40-M42 HydrophobicContact CG-SD 4.32Å; L40-M42 PolarHBondContact O-N 2.78Å; M42-S44 VanDerWaalsContact C-N 3.28Å; M42-S44 PolarHBondContact O-N 2.85Å; M42-L45 HydrophobicContact CB-CD2 4.43Å; M42-L45 HydrophobicContact CE-CD2 3.84Å; M42-L45 HydrophobicContact SD-CD2 4Å; M42-L73 HydrophobicContact CE-CB 4.3Å; M42-L73 HydrophobicContact CE-CD1 4.4Å; M42-L73 HydrophobicContact CE-CD2 4Å; M42-L73 HydrophobicContact CE-CG 4.47Å; M42-L73 HydrophobicContact SD-CB 4.17Å; M42-Y108 HydrophobicContact CB-CE2 4.15Å; M42-Y108 HydrophobicContact CE-CE2 4.42Å; M42-Y108 WeakPolarHBondContact CE-OH 3.43Å; M42-Y108 HydrophobicContact CG-CE2 3.71Å; M42-Y112 HydrophobicContact CE-CD1 3.71Å; M42-Y112 HydrophobicContact CE-CE1 3.76Å
43P82.1Confident89.8Confident87 Ų8754.7 Ų54.757%0.56528%0.283SS*.SBendtrans-62.9-34.2177.2-22.133000113.6Y108P43-Y108 VanDerWaalsContact CD-CG 3.48Å; P43-Y108 HydrophobicContact CG-CD1 4Å; P43-Y108 HydrophobicContact CG-CG 3.89Å
44S83.6Confident90.2Very high42 Ų4253.9 Ų53.929%0.29428%0.278SS..  trans-154159.1177.659.10000109.9M42 Y112M42-S44 VanDerWaalsContact C-N 3.28Å; M42-S44 PolarHBondContact O-N 2.85Å; S44-Y112 WeakPolarHBondContact O-CE1 3.43Å; S44-Y112 PolarHBondContact OG-OH 2.78Å
45L90.2Very high90.6Very high10 Ų1047.8 Ų47.85%0.05225%0.249CC..  trans-99.2166.9168.2-55.6-170.5000110V33 L36 A37 L40 M42 M49 L73 Y112V33-L45 HydrophobicContact CG1-CB 4.03Å; V33-L45 HydrophobicContact CG1-CD1 4.05Å; V33-L45 HydrophobicContact CG1-CG 4.07Å; L36-L45 HydrophobicContact CB-CD1 3.88Å; L36-L45 HydrophobicContact CD2-CD1 3.71Å; L36-L45 HydrophobicContact CG-CD1 3.8Å; A37-L45 HydrophobicContact CB-CD2 4.07Å; A37-L45 HydrophobicContact CB-CG 4.01Å; L40-L45 HydrophobicContact CD1-CD2 4.16Å; M42-L45 HydrophobicContact CB-CD2 4.43Å; M42-L45 HydrophobicContact CE-CD2 3.84Å; M42-L45 HydrophobicContact SD-CD2 4Å; L45-M49 HydrophobicContact CD1-CG 4.27Å; L45-L73 HydrophobicContact CD2-CD1 4.09Å; L45-Y112 VanDerWaalsContact C-OH 3.28Å; L45-Y112 PolarHBondContact O-OH 2.92Å
46P92.8Very high91Very high3 Ų345.6 Ų45.62%0.01924%0.238CC..  trans-50.5141.5170.5-30.738.2000113.2M48 M49 L73 Y112 F156 D158P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.02Å; P46-M49 PolarHBondContact O-N 3.42Å; P46-L73 HydrophobicContact CG-CD2 4.19Å; P46-Y112 HydrophobicContact CB-CE2 4.43Å; P46-Y112 HydrophobicContact CG-CD1 4.04Å; P46-Y112 HydrophobicContact CG-CD2 3.9Å; P46-Y112 HydrophobicContact CG-CE1 4.16Å; P46-Y112 HydrophobicContact CG-CE2 4.01Å; P46-Y112 HydrophobicContact CG-CG 3.91Å; P46-F156 HydrophobicContact CB-CB 3.93Å; P46-F156 HydrophobicContact CB-CD2 4.01Å; P46-F156 HydrophobicContact CB-CG 4.23Å; P46-F156 HydrophobicContact CG-CB 3.98Å; P46-F156 HydrophobicContact CG-CD2 3.65Å; P46-F156 HydrophobicContact CG-CE2 4.24Å; P46-F156 HydrophobicContact CG-CG 3.83Å; P46-D158 VanDerWaalsContact CA-OD2 3.31Å; P46-D158 WeakPolarHBondContact CA-OD2 3.37Å; P46-D158 HydrophobicContact CB-CB 4.09Å
47E90Very high91.3Very high103 Ų10345 Ų4548%0.48123%0.234SC..THydrogen-bonded Turntrans-53.1-43.3179.1-71.8-179-16600113.1D158E47-D158 PolarHBondContact N-OD2 3.26Å
48M93.4Very high91.7Very high53 Ų5347.8 Ų47.826%0.26125%0.247SC..EExtended strand (participates in β ladder)trans-10575.7175.2-65.9-179.2-87.800110.3I27 P46 F50 F156 E157I27-M48 HydrophobicContact CG2-CB 4.18Å; I27-M48 HydrophobicContact CG2-CG 4.48Å; P46-M48 VanDerWaalsContact C-N 3.27Å; P46-M48 PolarHBondContact O-N 3.02Å; M48-F50 HydrophobicContact CB-CE2 4.07Å; M48-F50 WeakPolarHBondContact O-CD2 3.3Å; M48-F156 CarbonylContact O-C 3.55Å; M48-F156 WeakPolarHBondContact O-CA 3.29Å; M48-E157 WeakPolarHBondContact CA-O 3.23Å; M48-E157 HydrophobicContact CB-CB 4.18Å; M48-E157 WeakPolarHBondContact CB-O 3.11Å; M48-E157 HydrophobicContact CE-CB 3.8Å; M48-E157 HydrophobicContact CE-CG 3.63Å; M48-E157 WeakPolarHBondContact CE-OE1 3.37Å; M48-E157 PolarHBondContact N-O 2.98Å; M48-E157 PolarHBondContact O-N 2.88Å
49M94Very high92Very high2 Ų242.6 Ų42.61%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-89.2115.1177-179.458.2178.700112I27 M28 L36 L45 P46 G51 A69 L73 F156I27-M49 CarbonylContact C-O 3.59Å; I27-M49 WeakPolarHBondContact CA-O 3.31Å; M28-M49 HydrophobicContact CG-CG 4.23Å; M28-M49 PolarHBondContact N-O 3.09Å; M28-M49 HydrophobicContact SD-CE 4.27Å; M28-M49 HydrophobicContact SD-CG 3.59Å; M28-M49 VanDerWaalsContact SD-CG 3.59Å; L36-M49 HydrophobicContact CD2-CE 3.9Å; L45-M49 HydrophobicContact CD1-CG 4.27Å; P46-M49 PolarHBondContact O-N 3.42Å; M49-G51 PolarHBondContact O-N 3.1Å; M49-A69 HydrophobicContact CE-CB 3.35Å; M49-A69 HydrophobicContact SD-CB 3.66Å; M49-L73 HydrophobicContact CE-CD1 3.62Å; M49-L73 HydrophobicContact SD-CD1 3.74Å; M49-F156 HydrophobicContact SD-CB 4.06Å
50F94.9Very high92.1Very high17 Ų1740.8 Ų40.88%0.07523%0.229CC..  trans-100.279.2177.3-58.1-91.1000111.9F6 T25 I27 M48 D52 N53 L154 L155F6-F50 HydrophobicContact CE2-CE1 4.47Å; T25-F50 VanDerWaalsContact O-CD1 3.29Å; T25-F50 WeakPolarHBondContact O-CD1 3.31Å; I27-F50 HydrophobicContact CG2-CD1 4.08Å; I27-F50 HydrophobicContact CG2-CE1 3.66Å; I27-F50 HydrophobicContact CG2-CE2 4.26Å; I27-F50 HydrophobicContact CG2-CZ 3.76Å; M48-F50 HydrophobicContact CB-CE2 4.07Å; M48-F50 WeakPolarHBondContact O-CD2 3.3Å; F50-D52 PolarHBondContact O-N 2.82Å; F50-N53 HydrophobicContact CB-CB 3.69Å; F50-N53 VanDerWaalsContact CB-ND2 3.28Å; F50-N53 WeakPolarHBondContact CB-ND2 3.37Å; F50-N53 WeakPolarHBondContact CG-ND2 3.46Å; F50-N53 WeakPolarHBondContact O-CB 3.45Å; F50-N53 PolarHBondContact O-N 2.84Å; F50-L154 HydrophobicContact CD2-CD2 4.32Å; F50-L154 HydrophobicContact CD2-CG 4.15Å; F50-L154 HydrophobicContact CE2-CB 4.42Å; F50-L154 HydrophobicContact CE2-CD2 3.49Å; F50-L154 VanDerWaalsContact CE2-CD2 3.49Å; F50-L154 HydrophobicContact CE2-CG 3.82Å; F50-L154 HydrophobicContact CZ-CD2 4.03Å; F50-L155 WeakPolarHBondContact CB-O 3.32Å; F50-L155 PolarHBondContact N-O 2.84Å
51G92.1Very high92.3Very high17 Ų1742.1 Ų42.118%0.17524%0.24CC..THydrogen-bonded Turntrans-62.9-33.5-174.200000115.5M28 M49M28-G51 VanDerWaalsContact SD-CA 3.58Å; M49-G51 PolarHBondContact O-N 3.1Å
52D94.3Very high92.6Very high108 Ų10837 Ų3758%0.57822%0.224SC*.THydrogen-bonded Turntrans-93.50.4178.8-53.4-45.4000112.9T25 F50 V54T25-D52 HydrophobicContact CG2-CB 3.99Å; T25-D52 WeakPolarHBondContact OG1-CB 3.34Å; F50-D52 PolarHBondContact O-N 2.82Å; D52-V54 PolarHBondContact O-N 2.86Å
53N97.1Very high93.3Very high4 Ų436.6 Ų36.62%0.02122%0.222CC..  trans-73131.4175.1-77.113.5000109.8S23 K24 T25 F50 V153 L154 L155S23-N53 WeakPolarHBondContact O-CA 3.41Å; K24-N53 VanDerWaalsContact CA-OD1 3.29Å; K24-N53 WeakPolarHBondContact CA-OD1 3.26Å; T25-N53 PolarHBondContact N-OD1 2.9Å; T25-N53 PolarHBondContact OG1-OD1 2.8Å; F50-N53 HydrophobicContact CB-CB 3.69Å; F50-N53 VanDerWaalsContact CB-ND2 3.28Å; F50-N53 WeakPolarHBondContact CB-ND2 3.37Å; F50-N53 WeakPolarHBondContact CG-ND2 3.46Å; F50-N53 WeakPolarHBondContact O-CB 3.45Å; F50-N53 PolarHBondContact O-N 2.84Å; N53-V153 HydrophobicContact CB-CG1 3.79Å; N53-L154 PolarHBondContact ND2-O 2.63Å; N53-L155 HydrophobicContact CB-CD2 4.25Å
54V97.6Very high93.9Very high18 Ų1832.5 Ų32.511%0.10920%0.195CC..EExtended strand (participates in β ladder)trans-148.8140178.662.60000110.3A22 S23 D52 R56 E66 F67A22-V54 WeakPolarHBondContact CA-O 3.3Å; S23-V54 PolarHBondContact N-O 2.88Å; S23-V54 PolarHBondContact O-N 2.81Å; D52-V54 PolarHBondContact O-N 2.86Å; V54-R56 HydrophobicContact CG2-CB 4.21Å; V54-E66 HydrophobicContact CG2-CB 4.02Å; V54-F67 WeakPolarHBondContact CA-O 3.38Å
55L98.2Very high94.6Very high0 Ų030.5 Ų30.50%018%0.181CC..EExtended strand (participates in β ladder)trans-114.1116.5159.3-173.369.5000108.4T21 A22 E66 F67 V153 V170 I172 L181T21-L55 WeakPolarHBondContact O-CA 3.42Å; A22-L55 HydrophobicContact CB-CD1 3.8Å; L55-E66 CarbonylContact O-C 3.58Å; L55-E66 VanDerWaalsContact O-CA 3.3Å; L55-E66 WeakPolarHBondContact O-CA 3.39Å; L55-F67 PolarHBondContact N-O 3.44Å; L55-F67 VanDerWaalsContact N-O 3.14Å; L55-F67 PolarHBondContact O-N 2.88Å; L55-V153 HydrophobicContact CB-CG2 4.29Å; L55-V153 HydrophobicContact CD1-CG2 4.39Å; L55-V170 HydrophobicContact CB-CG1 3.61Å; L55-V170 HydrophobicContact CD2-CB 4.35Å; L55-V170 HydrophobicContact CD2-CG1 3.9Å; L55-V170 HydrophobicContact CD2-CG2 3.66Å; L55-V170 HydrophobicContact CG-CG1 4.42Å; L55-I172 HydrophobicContact CD1-CG2 3.98Å; L55-I172 HydrophobicContact CD2-CB 4.02Å; L55-I172 HydrophobicContact CD2-CG2 3.79Å; L55-I172 HydrophobicContact CG-CG2 4.45Å; L55-L181 HydrophobicContact CD2-CD1 3.67Å; L55-L181 HydrophobicContact CD2-CG 4.44Å
56R98.1Very high95Very high82 Ų8231.1 Ų31.131%0.30918%0.183SC..EExtended strand (participates in β ladder)trans-120.4135.6-175.1178.3179.7-63.6167.13110.4L20 T21 V54 Q58 E66 L121L20-R56 CarbonylContact C-O 3.6Å; L20-R56 VanDerWaalsContact CA-O 3.26Å; L20-R56 WeakPolarHBondContact CA-O 3.44Å; T21-R56 PolarHBondContact N-O 3.49Å; T21-R56 PolarHBondContact O-N 3.03Å; V54-R56 HydrophobicContact CG2-CB 4.21Å; R56-Q58 HydrophobicContact CG-CB 4.45Å; R56-E66 HydrophobicContact CB-CB 3.97Å; R56-E66 HydrophobicContact CG-CB 4.11Å; R56-E66 IonicContact CZ-OE2 2.72Å; R56-E66 IonicContact NE-OE2 3.44Å; R56-E66 PolarHBondContact NE-OE2 3.26Å; R56-E66 IonicContact NH2-OE2 3.86Å; R56-E66 PolarHBondContact NH2-OE2 2.98Å; R56-L121 HydrophobicContact CG-CD1 3.68Å
57I97.3Very high95.3Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-119.1113.9171-53.1170.2000107.1W18 L20 G64 I65 I172 F179 L181 L201W18-I57 HydrophobicContact CD2-CG2 4.47Å; W18-I57 HydrophobicContact CE3-CG2 3.74Å; W18-I57 HydrophobicContact CZ3-CG2 4.18Å; L20-I57 HydrophobicContact CG-CG1 4.48Å; I57-G64 CarbonylContact O-C 3.55Å; I57-G64 WeakPolarHBondContact O-CA 3.32Å; I57-I65 HydrophobicContact CB-CG2 4.23Å; I57-I65 HydrophobicContact CD1-CG2 4.35Å; I57-I65 PolarHBondContact N-O 2.93Å; I57-I65 PolarHBondContact O-N 2.98Å; I57-I172 HydrophobicContact CD1-CD1 3.64Å; I57-I172 HydrophobicContact CG1-CD1 4.11Å; I57-F179 HydrophobicContact CD1-CD2 4.38Å; I57-F179 HydrophobicContact CD1-CE2 3.84Å; I57-F179 HydrophobicContact CD1-CZ 4.25Å; I57-F179 HydrophobicContact CG2-CZ 4.3Å; I57-L181 HydrophobicContact CD1-CD1 3.84Å; I57-L201 HydrophobicContact CD1-CD2 4.18Å
58Q96.5Very high95.7Very high65 Ų6526.9 Ų26.930%0.30416%0.164SC..EExtended strand (participates in β ladder)trans-124.8132.6-176.6-165.8170.114.800111.1W18 K19 R56 G62W18-Q58 CarbonylContact C-O 3.59Å; W18-Q58 WeakPolarHBondContact CA-O 3.33Å; K19-Q58 PolarHBondContact N-O 3.33Å; K19-Q58 PolarHBondContact O-N 2.93Å; R56-Q58 HydrophobicContact CG-CB 4.45Å; Q58-G62 PolarHBondContact NE2-O 2.86Å
59H95.2Very high95.8Very high16 Ų1624.3 Ų24.37%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-80.9151171.7-165.5-101.2000110.1P17 W18 S61 G62 F63P17-H59 VanDerWaalsContact CB-NE2 3.34Å; P17-H59 WeakPolarHBondContact CB-NE2 3.31Å; P17-H59 WeakPolarHBondContact CG-NE2 3.46Å; P17-H59 CarbonylContact O-C 3.54Å; W18-H59 AromaticContact CE2-CD2 3.87Å; W18-H59 HydrophobicContact CE3-CB 3.92Å; W18-H59 HydrophobicContact CH2-CB 4.08Å; W18-H59 AromaticContact CH2-CD2 3.84Å; W18-H59 AromaticContact CZ2-CD2 3.77Å; W18-H59 HydrophobicContact CZ3-CB 3.61Å; H59-S61 PolarHBondContact CE1-OG 2.71Å; H59-S61 VanDerWaalsContact CE1-OG 3.23Å; H59-S61 WeakPolarHBondContact ND1-CB 3.12Å; H59-S61 PolarHBondContact ND1-N 3.38Å; H59-S61 VanDerWaalsContact ND1-N 3.17Å; H59-S61 PolarHBondContact ND1-OG 3.02Å; H59-S61 PolarHBondContact O-N 3.08Å; H59-G62 PolarHBondContact O-N 2.8Å; H59-F63 HydrophobicContact CB-CD1 4.01Å; H59-F63 HydrophobicContact CB-CD2 4.05Å; H59-F63 HydrophobicContact CB-CE1 3.7Å; H59-F63 HydrophobicContact CB-CE2 3.77Å; H59-F63 HydrophobicContact CB-CG 4.17Å; H59-F63 HydrophobicContact CB-CZ 3.57Å; H59-F63 WeakPolarHBondContact CB-O 3.35Å; H59-F63 AromaticContact CD2-CZ 3.86Å; H59-F63 AromaticContact CG-CE1 3.55Å; H59-F63 AromaticContact CG-CZ 3.43Å; H59-F63 VanDerWaalsContact CG-CZ 3.43Å; H59-F63 PolarHBondContact N-O 2.82Å; H59-F63 AromaticContact ND1-CE1 3.37Å; H59-F63 WeakPolarHBondContact ND1-CE1 3.48Å; H59-F63 AromaticContact ND1-CZ 3.69Å
60G92.2Very high95.9Very high73 Ų7325.5 Ų25.575%0.75316%0.159SC*.THydrogen-bonded Turntrans-57.2-21.4174.900000114.2P17 G62P17-G60 PolarHBondContact O-N 3.27Å; G60-G62 PolarHBondContact O-N 2.86Å
61S90.5Very high96Very high41 Ų4126 Ų2629%0.28716%0.162SC..THydrogen-bonded Turntrans-79.1-0.2173.5-470000114H59H59-S61 PolarHBondContact CE1-OG 2.71Å; H59-S61 VanDerWaalsContact CE1-OG 3.23Å; H59-S61 WeakPolarHBondContact ND1-CB 3.12Å; H59-S61 PolarHBondContact ND1-N 3.38Å; H59-S61 VanDerWaalsContact ND1-N 3.17Å; H59-S61 PolarHBondContact ND1-OG 3.02Å; H59-S61 PolarHBondContact O-N 3.08Å
62G92.5Very high96.2Very high28 Ų2825.2 Ų25.229%0.28915%0.154SC..SBendtrans94.8-20.9174.600000115.7Q58 H59 G60Q58-G62 PolarHBondContact NE2-O 2.86Å; H59-G62 PolarHBondContact O-N 2.8Å; G60-G62 PolarHBondContact O-N 2.86Å
63F95.9Very high96.2Very high0 Ų020 Ų200%013%0.126CC..  trans-73.8157.6173.571.8-94.6000111.5W18 H59 L121 L125 L127 F254 P255W18-F63 AromaticContact CH2-CE2 3.76Å; W18-F63 HydrophobicContact CH2-CE2 3.76Å; W18-F63 HydrophobicContact CH2-CZ 4.26Å; W18-F63 HydrophobicContact CZ3-CE2 4.19Å; H59-F63 HydrophobicContact CB-CD1 4.01Å; H59-F63 HydrophobicContact CB-CD2 4.05Å; H59-F63 HydrophobicContact CB-CE1 3.7Å; H59-F63 HydrophobicContact CB-CE2 3.77Å; H59-F63 HydrophobicContact CB-CG 4.17Å; H59-F63 HydrophobicContact CB-CZ 3.57Å; H59-F63 WeakPolarHBondContact CB-O 3.35Å; H59-F63 AromaticContact CD2-CZ 3.86Å; H59-F63 AromaticContact CG-CE1 3.55Å; H59-F63 AromaticContact CG-CZ 3.43Å; H59-F63 VanDerWaalsContact CG-CZ 3.43Å; H59-F63 PolarHBondContact N-O 2.82Å; H59-F63 AromaticContact ND1-CE1 3.37Å; H59-F63 WeakPolarHBondContact ND1-CE1 3.48Å; H59-F63 AromaticContact ND1-CZ 3.69Å; F63-L121 WeakPolarHBondContact CA-O 3.49Å; F63-L125 HydrophobicContact CB-CB 4.43Å; F63-L125 VanDerWaalsContact CB-O 3.24Å; F63-L125 WeakPolarHBondContact CB-O 3.27Å; F63-L127 HydrophobicContact CD2-CD2 3.57Å; F63-L127 HydrophobicContact CD2-CG 3.87Å; F63-L127 HydrophobicContact CE2-CD2 3.69Å; F63-L127 HydrophobicContact CE2-CG 4.47Å; F63-F254 HydrophobicContact CE2-CB 4.49Å; F63-F254 AromaticContact CE2-CD1 3.84Å; F63-F254 HydrophobicContact CE2-CD1 3.84Å; F63-F254 HydrophobicContact CE2-CE1 4.19Å; F63-F254 HydrophobicContact CE2-CG 4.02Å; F63-F254 HydrophobicContact CZ-CB 4.13Å; F63-F254 HydrophobicContact CZ-CD1 4.19Å; F63-F254 HydrophobicContact CZ-CD2 4.12Å; F63-F254 AromaticContact CZ-CG 3.88Å; F63-F254 HydrophobicContact CZ-CG 3.88Å; F63-P255 HydrophobicContact CB-CG 4.47Å; F63-P255 HydrophobicContact CD1-CG 3.59Å; F63-P255 HydrophobicContact CE1-CG 3.93Å; F63-P255 HydrophobicContact CG-CG 4.06Å
64G96.6Very high96Very high0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans177.6-164.6178.900000113.4I57 L121I57-G64 CarbonylContact O-C 3.55Å; I57-G64 WeakPolarHBondContact O-CA 3.32Å; G64-L121 PolarHBondContact N-O 2.83Å; G64-L121 PolarHBondContact O-N 2.87Å
65I98Very high95.7Very high1 Ų128.7 Ų28.71%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-144.3143.4173.7-170.9169.5000109.2I57 F67 T119 L120 L201 L252I57-I65 HydrophobicContact CB-CG2 4.23Å; I57-I65 HydrophobicContact CD1-CG2 4.35Å; I57-I65 PolarHBondContact N-O 2.93Å; I57-I65 PolarHBondContact O-N 2.98Å; I65-F67 HydrophobicContact CD1-CE2 4.35Å; I65-F67 HydrophobicContact CD1-CZ 3.87Å; I65-F67 HydrophobicContact CG1-CE2 4.18Å; I65-F67 HydrophobicContact CG1-CZ 4.14Å; I65-F67 HydrophobicContact CG2-CE2 4.3Å; I65-T119 CarbonylContact C-O 3.6Å; I65-T119 VanDerWaalsContact CA-O 3.3Å; I65-T119 WeakPolarHBondContact CA-O 3.35Å; I65-T119 WeakPolarHBondContact CG1-O 3.37Å; I65-L120 HydrophobicContact CB-CD2 4.43Å; I65-L120 HydrophobicContact CD1-CD2 4.03Å; I65-L120 HydrophobicContact CG1-CD2 4.2Å; I65-L201 HydrophobicContact CD1-CD2 4.48Å; I65-L201 HydrophobicContact CG2-CD2 3.84Å; I65-L252 HydrophobicContact CD1-CD1 4.19Å
66E97.9Very high95.2Very high22 Ų2229 Ų2910%0.10317%0.166CC..EExtended strand (participates in β ladder)trans-133164.3171.868.8176.9-144.100112.5V54 L55 R56 N68 Y116 G118 T119 L121V54-E66 HydrophobicContact CG2-CB 4.02Å; L55-E66 CarbonylContact O-C 3.58Å; L55-E66 VanDerWaalsContact O-CA 3.3Å; L55-E66 WeakPolarHBondContact O-CA 3.39Å; R56-E66 HydrophobicContact CB-CB 3.97Å; R56-E66 HydrophobicContact CG-CB 4.11Å; R56-E66 IonicContact CZ-OE2 2.72Å; R56-E66 IonicContact NE-OE2 3.44Å; R56-E66 PolarHBondContact NE-OE2 3.26Å; R56-E66 IonicContact NH2-OE2 3.86Å; R56-E66 PolarHBondContact NH2-OE2 2.98Å; E66-N68 PolarHBondContact OE1-ND2 2.86Å; E66-N68 VanDerWaalsContact OE1-ND2 3.12Å; E66-Y116 PolarHBondContact O-OH 3.38Å; E66-Y116 VanDerWaalsContact O-OH 3.09Å; E66-G118 CarbonylContact O-C 3.53Å; E66-G118 WeakPolarHBondContact O-CA 3.46Å; E66-T119 PolarHBondContact N-O 2.92Å; E66-T119 PolarHBondContact O-N 3.41Å; E66-L121 HydrophobicContact CB-CD1 4.02Å; E66-L121 HydrophobicContact CB-CG 4.43Å; E66-L121 HydrophobicContact CG-CD1 4.14Å; E66-L121 HydrophobicContact CG-CD2 3.89Å; E66-L121 HydrophobicContact CG-CG 4.12Å
67F98.5Very high94.1Very high1 Ų128.3 Ų28.30%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-130116.1179.7-59.1-89.9000107.8V54 L55 I65 Y116 G118 L155 V170 L181 L183 L201V54-F67 WeakPolarHBondContact CA-O 3.38Å; L55-F67 PolarHBondContact N-O 3.44Å; L55-F67 VanDerWaalsContact N-O 3.14Å; L55-F67 PolarHBondContact O-N 2.88Å; I65-F67 HydrophobicContact CD1-CE2 4.35Å; I65-F67 HydrophobicContact CD1-CZ 3.87Å; I65-F67 HydrophobicContact CG1-CE2 4.18Å; I65-F67 HydrophobicContact CG1-CZ 4.14Å; I65-F67 HydrophobicContact CG2-CE2 4.3Å; F67-Y116 HydrophobicContact CB-CE1 4.49Å; F67-Y116 HydrophobicContact CD1-CE1 4.08Å; F67-G118 VanDerWaalsContact CE1-CA 3.48Å; F67-L155 HydrophobicContact CB-CD1 4.36Å; F67-V170 HydrophobicContact CB-CB 4.31Å; F67-V170 HydrophobicContact CB-CG1 4.07Å; F67-V170 HydrophobicContact CB-CG2 4.19Å; F67-V170 HydrophobicContact CD1-CG2 4.4Å; F67-V170 HydrophobicContact CD2-CG2 4.11Å; F67-V170 HydrophobicContact CG-CG2 3.96Å; F67-L181 HydrophobicContact CD2-CD1 3.85Å; F67-L181 HydrophobicContact CD2-CD2 4.41Å; F67-L181 HydrophobicContact CE1-CD2 4.1Å; F67-L181 HydrophobicContact CE2-CD1 3.39Å; F67-L181 HydrophobicContact CE2-CD2 3.73Å; F67-L181 HydrophobicContact CE2-CG 4.25Å; F67-L181 HydrophobicContact CZ-CD1 4.08Å; F67-L181 HydrophobicContact CZ-CD2 3.53Å; F67-L183 HydrophobicContact CD1-CB 4.14Å; F67-L183 HydrophobicContact CD1-CD1 4.11Å; F67-L183 HydrophobicContact CD1-CD2 3.91Å; F67-L183 HydrophobicContact CD1-CG 4.28Å; F67-L183 HydrophobicContact CE1-CB 4.15Å; F67-L183 HydrophobicContact CE1-CD2 4.14Å; F67-L201 HydrophobicContact CZ-CD2 4.5Å
68N97.9Very high92.3Very high16 Ų1629.9 Ų29.99%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-136.7157.9179.169.269.7000109.9E66 T70 D71 A72E66-N68 PolarHBondContact OE1-ND2 2.86Å; E66-N68 VanDerWaalsContact OE1-ND2 3.12Å; N68-T70 PolarHBondContact OD1-N 2.82Å; N68-D71 PolarHBondContact ND2-OD2 3.09Å; N68-D71 WeakPolarHBondContact OD1-CB 3.37Å; N68-D71 PolarHBondContact OD1-N 2.9Å; N68-A72 PolarHBondContact O-N 2.85Å
69A96.8Very high90.1Very high0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-70-39.4-175.600000112.5M49 D71 A72 L73 L155 F156M49-A69 HydrophobicContact CE-CB 3.35Å; M49-A69 HydrophobicContact SD-CB 3.66Å; A69-D71 PolarHBondContact O-N 3.23Å; A69-A72 WeakPolarHBondContact O-CB 3.38Å; A69-A72 PolarHBondContact O-N 2.82Å; A69-L73 WeakPolarHBondContact O-CG 3.39Å; A69-L73 PolarHBondContact O-N 2.8Å; A69-L155 HydrophobicContact CB-CB 4Å; A69-L155 WeakPolarHBondContact CB-O 3.44Å; A69-F156 HydrophobicContact CB-CD1 4.4Å
70T95.6Very high87.7Confident27 Ų2742 Ų4217%0.16623%0.227CC..Hα-helixtrans-60.8-49-176.5-59.60000112.8L36 N68 A72 L73 R74L36-T70 HydrophobicContact CD1-CG2 3.86Å; L36-T70 HydrophobicContact CD2-CG2 4.47Å; N68-T70 PolarHBondContact OD1-N 2.82Å; T70-A72 VanDerWaalsContact C-N 3.27Å; T70-A72 PolarHBondContact O-N 3.17Å; T70-L73 PolarHBondContact O-N 3.35Å; T70-R74 WeakPolarHBondContact O-CG 3.3Å; T70-R74 PolarHBondContact O-N 3.14Å; T70-R74 VanDerWaalsContact O-N 3.08Å
71D96.7Very high85.3Confident27 Ų2741 Ų4114%0.14422%0.217CC..Hα-helixtrans-67.8-31.1177.4-71.2-29.1000111.9N68 A69 R74 Y116 T119N68-D71 PolarHBondContact ND2-OD2 3.09Å; N68-D71 WeakPolarHBondContact OD1-CB 3.37Å; N68-D71 PolarHBondContact OD1-N 2.9Å; A69-D71 PolarHBondContact O-N 3.23Å; D71-R74 WeakPolarHBondContact O-CB 3.34Å; D71-R74 PolarHBondContact O-N 3Å; D71-R74 IonicContact OD1-CZ 2.68Å; D71-R74 IonicContact OD1-NE 3.16Å; D71-R74 IonicContact OD1-NH1 2.86Å; D71-R74 PolarHBondContact OD1-NH1 2.87Å; D71-Y116 HydrophobicContact CB-CD2 4.42Å; D71-Y116 HydrophobicContact CB-CE2 3.64Å; D71-T119 WeakPolarHBondContact CB-OG1 3.24Å; D71-T119 VanDerWaalsContact CG-OG1 3.29Å; D71-T119 WeakPolarHBondContact OD2-CB 3.37Å; D71-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T119 PolarHBondContact OD2-OG1 2.88Å
72A96.4Very high83.1Confident0 Ų045.6 Ų45.60%024%0.236CC..Hα-helixtrans-65.4-40.4173.500000112.1N68 A69 T70 R74 C75 T114 Y116 F156 L168N68-A72 PolarHBondContact O-N 2.85Å; A69-A72 WeakPolarHBondContact O-CB 3.38Å; A69-A72 PolarHBondContact O-N 2.82Å; T70-A72 VanDerWaalsContact C-N 3.27Å; T70-A72 PolarHBondContact O-N 3.17Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-C75 WeakPolarHBondContact O-CB 3.36Å; A72-C75 PolarHBondContact O-N 2.91Å; A72-T114 HydrophobicContact CB-CG2 4.46Å; A72-T114 WeakPolarHBondContact O-CB 3.34Å; A72-T114 PolarHBondContact O-OG1 2.77Å; A72-Y116 HydrophobicContact CB-CD1 3.58Å; A72-Y116 HydrophobicContact CB-CE1 4.15Å; A72-Y116 HydrophobicContact CB-CG 3.81Å; A72-F156 HydrophobicContact CB-CE1 4.45Å; A72-L168 HydrophobicContact CB-CD2 3.34Å
73L94Very high80.7Confident0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-70.7-26.7176.6-66.9178.2000112.9L40 M42 L45 P46 M49 A69 T70 C75 V76 Y112 F156L40-L73 HydrophobicContact CD1-CB 3.73Å; L40-L73 HydrophobicContact CD1-CD1 4.34Å; M42-L73 HydrophobicContact CE-CB 4.3Å; M42-L73 HydrophobicContact CE-CD1 4.4Å; M42-L73 HydrophobicContact CE-CD2 4Å; M42-L73 HydrophobicContact CE-CG 4.47Å; M42-L73 HydrophobicContact SD-CB 4.17Å; L45-L73 HydrophobicContact CD2-CD1 4.09Å; P46-L73 HydrophobicContact CG-CD2 4.19Å; M49-L73 HydrophobicContact CE-CD1 3.62Å; M49-L73 HydrophobicContact SD-CD1 3.74Å; A69-L73 WeakPolarHBondContact O-CG 3.39Å; A69-L73 PolarHBondContact O-N 2.8Å; T70-L73 PolarHBondContact O-N 3.35Å; L73-C75 PolarHBondContact O-N 2.79Å; L73-V76 HydrophobicContact CD2-CG2 4Å; L73-V76 VanDerWaalsContact O-CB 3.29Å; L73-V76 WeakPolarHBondContact O-CB 3.34Å; L73-V76 PolarHBondContact O-N 2.68Å; L73-Y112 HydrophobicContact CD2-CD1 4.18Å; L73-F156 HydrophobicContact CD2-CD1 4.2Å; L73-F156 HydrophobicContact CD2-CE1 3.85Å; L73-F156 HydrophobicContact CD2-CZ 4.24Å; L73-F156 HydrophobicContact CG-CD1 4.44Å; L73-F156 HydrophobicContact CG-CE1 4.36Å
74R92.6Very high78.2Confident152 Ų15254.2 Ų54.257%0.57427%0.268SS*.Hα-helixtrans-62.8-25.7169.8-70.8174.6-178.2167.1-5113.5L40 T70 D71 A72 V76L40-R74 HydrophobicContact CD2-CB 4.47Å; L40-R74 HydrophobicContact CD2-CG 3.35Å; T70-R74 WeakPolarHBondContact O-CG 3.3Å; T70-R74 PolarHBondContact O-N 3.14Å; T70-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 WeakPolarHBondContact O-CB 3.34Å; D71-R74 PolarHBondContact O-N 3Å; D71-R74 IonicContact OD1-CZ 2.68Å; D71-R74 IonicContact OD1-NE 3.16Å; D71-R74 IonicContact OD1-NH1 2.86Å; D71-R74 PolarHBondContact OD1-NH1 2.87Å; A72-R74 VanDerWaalsContact C-N 3.33Å; R74-V76 VanDerWaalsContact C-N 3.31Å
75C91.6Very high75.8Confident51 Ų5155 Ų5535%0.34527%0.273SS..THydrogen-bonded Turntrans-85-5.1175-64.70000112.8A72 L73 T114A72-C75 WeakPolarHBondContact O-CB 3.36Å; A72-C75 PolarHBondContact O-N 2.91Å; L73-C75 PolarHBondContact O-N 2.79Å; C75-T114 WeakPolarHBondContact CB-OG1 3.44Å
76V88.7Confident73Confident6 Ų659 Ų594%0.03631%0.306CS..SBendtrans-69.5137.5172.4178.50000108.6L73 R74 N78 Y108 D109L73-V76 HydrophobicContact CD2-CG2 4Å; L73-V76 VanDerWaalsContact O-CB 3.29Å; L73-V76 WeakPolarHBondContact O-CB 3.34Å; L73-V76 PolarHBondContact O-N 2.68Å; R74-V76 VanDerWaalsContact C-N 3.31Å; V76-N78 PolarHBondContact O-N 3.23Å; V76-N78 PolarHBondContact O-OD1 3.3Å; V76-N78 VanDerWaalsContact O-OD1 3.06Å; V76-Y108 HydrophobicContact CG1-CE2 4.27Å; V76-D109 HydrophobicContact CG1-CB 4.3Å
77N73.9Confident70.3Confident69 Ų6960 Ų6037%0.36932%0.315SS..  trans-77.596.6-175.2179.111.8000110.8Y79 Q80N77-Y79 VanDerWaalsContact C-N 3.31Å; N77-Y79 PolarHBondContact O-N 3.06Å; N77-Y79 PolarHBondContact OD1-N 3.19Å; N77-Q80 WeakPolarHBondContact ND2-CB 3.38Å; N77-Q80 PolarHBondContact ND2-O 2.8Å; N77-Q80 WeakPolarHBondContact OD1-CB 3.28Å; N77-Q80 PolarHBondContact OD1-N 3.49Å
78N60.4Low68Low32 Ų3260.4 Ų60.417%0.17132%0.318CS..SBendtrans-81.8-6.6-176.6-60.1-7.7000113.6L40 V76 Y108L40-N78 PolarHBondContact O-ND2 3.11Å; V76-N78 PolarHBondContact O-N 3.23Å; V76-N78 PolarHBondContact O-OD1 3.3Å; V76-N78 VanDerWaalsContact O-OD1 3.06Å; N78-Y108 WeakPolarHBondContact OD1-CE2 3.47Å
79Y50.2Low65.5Low177 Ų17765 Ų6569%0.69434%0.34SS*.SBendtrans-136.8-18.9-167.2-87.8-89000116.7N77 G81N77-Y79 VanDerWaalsContact C-N 3.31Å; N77-Y79 PolarHBondContact O-N 3.06Å; N77-Y79 PolarHBondContact OD1-N 3.19Å; Y79-G81 PolarHBondContact O-N 3.17Å
80Q44.5Very low63Low159 Ų15971.4 Ų71.474%0.74337%0.369SS*.SBendtrans-99.889.7179.7-82.9179.7-7.100111.9N77N77-Q80 WeakPolarHBondContact ND2-CB 3.38Å; N77-Q80 PolarHBondContact ND2-O 2.8Å; N77-Q80 WeakPolarHBondContact OD1-CB 3.28Å; N77-Q80 PolarHBondContact OD1-N 3.49Å
81G42.8Very low61Low53 Ų5371.6 Ų71.655%0.54637%0.367SS..  55.1102.8122.200000118.4Y79Y79-G81 PolarHBondContact O-N 3.17Å
82M43Very low58.7Low137 Ų13774.3 Ų74.368%0.67538%0.379SS*.  trans55.173.2151.2-65.8-169.5173.100116.6K84M82-K84 HydrophobicContact CB-CB 4.44Å; M82-K84 HydrophobicContact CB-CG 4.09Å; M82-K84 HydrophobicContact CE-CD 4.17Å; M82-K84 VanDerWaalsContact CE-CE 3.41Å; M82-K84 HydrophobicContact CG-CD 4.37Å; M82-K84 HydrophobicContact CG-CG 4Å; M82-K84 PolarHBondContact O-N 2.81Å; M82-K84 HydrophobicContact SD-CD 3.62Å; M82-K84 VanDerWaalsContact SD-CE 3.58Å; M82-K84 HydrophobicContact SD-CG 3.93Å
83L43.5Very low56.3Low69 Ų6980.4 Ų80.436%0.36141%0.407SS..  -70.575.5129.8-92.7160.3000107.5V85L83-V85 HydrophobicContact CB-CG2 4.31Å; L83-V85 HydrophobicContact CD2-CG2 3.85Å; L83-V85 PolarHBondContact O-N 2.88Å
84K41.9Very low54Low139 Ų13983.7 Ų83.760%0.60443%0.43SS*.  trans-69.365.8157.9-87.7-171.5169-1750107.5M82M82-K84 HydrophobicContact CB-CB 4.44Å; M82-K84 HydrophobicContact CB-CG 4.09Å; M82-K84 HydrophobicContact CE-CD 4.17Å; M82-K84 VanDerWaalsContact CE-CE 3.41Å; M82-K84 HydrophobicContact CG-CD 4.37Å; M82-K84 HydrophobicContact CG-CG 4Å; M82-K84 PolarHBondContact O-N 2.81Å; M82-K84 HydrophobicContact SD-CD 3.62Å; M82-K84 VanDerWaalsContact SD-CE 3.58Å; M82-K84 HydrophobicContact SD-CG 3.93Å
85V45.8Very low51.8Low17 Ų1782.3 Ų82.310%0.10343%0.425CS..  trans-65.2131.8154.5-175.90000104.1L83 C87 A88 V192L83-V85 HydrophobicContact CB-CG2 4.31Å; L83-V85 HydrophobicContact CD2-CG2 3.85Å; L83-V85 PolarHBondContact O-N 2.88Å; V85-C87 HydrophobicContact CG1-CB 4.01Å; V85-C87 PolarHBondContact O-N 2.89Å; V85-C87 VanDerWaalsContact O-N 3.08Å; V85-A88 WeakPolarHBondContact O-CA 3.34Å; V85-A88 WeakPolarHBondContact O-CB 3.24Å; V85-A88 PolarHBondContact O-N 2.86Å; V85-V192 HydrophobicContact CG1-CB 4.36Å; V85-V192 HydrophobicContact CG1-CG1 3.39Å; V85-V192 HydrophobicContact CG1-CG2 4.11Å
86A39.7Very low49.5Very low84 Ų8485.1 Ų85.169%0.69444%0.441SS*.Hα-helixtrans-55.8-26.8178.900000112.1A88 E89A86-A88 VanDerWaalsContact C-N 3.3Å; A86-A88 PolarHBondContact O-N 2.66Å; A86-E89 PolarHBondContact O-N 3.01Å
87C41.6Very low47.3Very low44 Ų4493.4 Ų93.430%0.29748%0.479SS..Hα-helixtrans-69.5-15.7169.2-770000115.1V85 E89 E90 W91V85-C87 HydrophobicContact CG1-CB 4.01Å; V85-C87 PolarHBondContact O-N 2.89Å; V85-C87 VanDerWaalsContact O-N 3.08Å; C87-E89 PolarHBondContact O-N 2.84Å; C87-E90 PolarHBondContact O-N 2.9Å; C87-W91 WeakPolarHBondContact O-CA 3.33Å; C87-W91 WeakPolarHBondContact O-CB 3.36Å; C87-W91 PolarHBondContact O-N 2.86Å
88A49.8Very low45.7Very low9 Ų992.6 Ų92.67%0.07449%0.487CS..Hα-helixtrans-67.4-29.717600000111.1V85 A86 Q92V85-A88 WeakPolarHBondContact O-CA 3.34Å; V85-A88 WeakPolarHBondContact O-CB 3.24Å; V85-A88 PolarHBondContact O-N 2.86Å; A86-A88 VanDerWaalsContact C-N 3.3Å; A86-A88 PolarHBondContact O-N 2.66Å; A88-Q92 WeakPolarHBondContact O-CB 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.26Å; A88-Q92 PolarHBondContact O-N 3.48Å
89E46Very low45Very low114 Ų11499.8 Ų99.853%0.53352%0.519SS..Hα-helixtrans-72.1-47.2172.1-74.4175.7176.700110.3A86 C87 W91 Q92 E93A86-E89 PolarHBondContact O-N 3.01Å; C87-E89 PolarHBondContact O-N 2.84Å; E89-W91 PolarHBondContact O-N 3.24Å; E89-Q92 PolarHBondContact O-N 2.9Å; E89-E93 VanDerWaalsContact O-CB 3.26Å; E89-E93 WeakPolarHBondContact O-CB 3.5Å; E89-E93 WeakPolarHBondContact O-CG 3.42Å; E89-E93 PolarHBondContact O-N 2.77Å
90E45.2Very low44.3Very low134 Ų13499.6 Ų99.663%0.62652%0.524SS*.Hα-helixtrans-65.8-36.4176.7-67.5175.6163.400113.7C87 E93 S94C87-E90 PolarHBondContact O-N 2.9Å; E90-E93 PolarHBondContact O-N 2.71Å; E90-S94 PolarHBondContact O-N 2.84Å
91W51.9Low43.8Very low31 Ų3196.5 Ų96.512%0.11752%0.52CS..Hα-helixtrans-75.8-32.1176.5-17292.2000112.2C87 E89 S94 W110 L160 H161 H163C87-W91 WeakPolarHBondContact O-CA 3.33Å; C87-W91 WeakPolarHBondContact O-CB 3.36Å; C87-W91 PolarHBondContact O-N 2.86Å; E89-W91 PolarHBondContact O-N 3.24Å; W91-S94 PolarHBondContact O-OG 2.91Å; W91-S94 VanDerWaalsContact O-OG 3.11Å; W91-W110 HydrophobicContact CD2-CD2 4.47Å; W91-W110 HydrophobicContact CE3-CD2 4.36Å; W91-W110 HydrophobicContact CE3-CG 4.29Å; W91-W110 HydrophobicContact CH2-CB 3.67Å; W91-W110 HydrophobicContact CH2-CD2 4.12Å; W91-W110 HydrophobicContact CH2-CE3 4.38Å; W91-W110 AromaticContact CH2-CG 3.82Å; W91-W110 HydrophobicContact CH2-CG 3.82Å; W91-W110 HydrophobicContact CZ2-CB 4.41Å; W91-W110 HydrophobicContact CZ2-CD2 4.21Å; W91-W110 HydrophobicContact CZ2-CE3 4.06Å; W91-W110 HydrophobicContact CZ2-CG 4.38Å; W91-W110 HydrophobicContact CZ3-CB 3.95Å; W91-W110 AromaticContact CZ3-CD1 3.97Å; W91-W110 HydrophobicContact CZ3-CD2 4.2Å; W91-W110 AromaticContact CZ3-CG 3.77Å; W91-W110 HydrophobicContact CZ3-CG 3.77Å; W91-L160 PolarHBondContact NE1-O 2.83Å; W91-H161 AromaticContact CZ2-CE1 3.86Å; W91-H161 AromaticContact CZ2-ND1 3.49Å; W91-H161 WeakPolarHBondContact CZ2-ND1 3.35Å; W91-H163 AromaticContact CD1-CD2 3.52Å; W91-H163 AromaticContact NE1-CD2 3.89Å
92Q49.3Very low43.5Very low83 Ų83104.3 Ų104.339%0.38854%0.539SS..Hα-helixtrans-70.7-37.7168.4-77.9173.53.700111.1A88 E89 R95 T96A88-Q92 WeakPolarHBondContact O-CB 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.26Å; A88-Q92 PolarHBondContact O-N 3.48Å; E89-Q92 PolarHBondContact O-N 2.9Å; Q92-R95 PolarHBondContact O-N 2.92Å; Q92-T96 PolarHBondContact O-N 3.09Å; Q92-T96 PolarHBondContact O-OG1 3.36Å
93E46.1Very low43.1Very low129 Ų129105.1 Ų105.160%0.60354%0.542SS*.Hα-helixtrans-68.2-37.4179.3-79.6179174.800112.5E89 E90 R95 T96E89-E93 VanDerWaalsContact O-CB 3.26Å; E89-E93 WeakPolarHBondContact O-CB 3.5Å; E89-E93 WeakPolarHBondContact O-CG 3.42Å; E89-E93 PolarHBondContact O-N 2.77Å; E90-E93 PolarHBondContact O-N 2.71Å; E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.21Å; E93-T96 VanDerWaalsContact C-OG1 3.26Å; E93-T96 VanDerWaalsContact CA-OG1 3.23Å; E93-T96 WeakPolarHBondContact CA-OG1 3.04Å; E93-T96 PolarHBondContact O-N 2.9Å; E93-T96 VanDerWaalsContact O-N 3.09Å; E93-T96 PolarHBondContact O-OG1 2.84Å
94S46.3Very low42.9Very low69 Ų69108.4 Ų108.448%0.48356%0.564SS.*Hα-helixtrans-66.9-27.5178.169.10000113.8E90 W91E90-S94 PolarHBondContact O-N 2.84Å; W91-S94 PolarHBondContact O-OG 2.91Å; W91-S94 VanDerWaalsContact O-OG 3.11Å
95R46.6Very low43Very low122 Ų122107 Ų10746%0.4656%0.562SS.*Hα-helixtrans-79-18.3171.8-81.8-164.2170.4-168.7-2113.8Q92 E93 E97 H161Q92-R95 PolarHBondContact O-N 2.92Å; E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.21Å; R95-E97 VanDerWaalsContact C-N 3.25Å; R95-E97 PolarHBondContact O-N 3.1Å; R95-H161 PolarHBondContact NH2-CE1 2.98Å; R95-H161 PolarHBondContact NH2-NE2 2.8Å
96T43Very low43Very low110 Ų110113.6 Ų113.668%0.67559%0.589SS**THydrogen-bonded Turntrans-72.8-14.7176.47.90000114.1Q92 E93Q92-T96 PolarHBondContact O-N 3.09Å; Q92-T96 PolarHBondContact O-OG1 3.36Å; E93-T96 VanDerWaalsContact C-OG1 3.26Å; E93-T96 VanDerWaalsContact CA-OG1 3.23Å; E93-T96 WeakPolarHBondContact CA-OG1 3.04Å; E93-T96 PolarHBondContact O-N 2.9Å; E93-T96 VanDerWaalsContact O-N 3.09Å; E93-T96 PolarHBondContact O-OG1 2.84Å
97E41.3Very low43.7Very low181 Ų181113.8 Ų113.885%0.84658%0.583SS**THydrogen-bonded Turntrans-90.7-10-178.8-68.8-166.3154.400114.3R95R95-E97 VanDerWaalsContact C-N 3.25Å; R95-E97 PolarHBondContact O-N 3.1Å
98G40.7Very low44.6Very low51 Ų51113.2 Ų113.253%0.52658%0.575SS.*SBendtrans-103.7124.117500000111.9H100G98-H100 PolarHBondContact O-N 3.21Å
99E45.5Very low45.6Very low184 Ų184113.7 Ų113.786%0.8658%0.577SS**SBendtrans-33.4111.3-178.8-65.2175.2139.900115.2
100H35.3Very low47.2Very low172 Ų172109.4 Ų109.480%0.79656%0.555SS**SBendtrans160.6116.2131.8-85.1-67.6000111.4G98G98-H100 PolarHBondContact O-N 3.21Å
101S34.6Very low49.2Very low94 Ų94103 Ų10366%0.65753%0.526SS*.  trans53.6123.6162.944.70000119.8E103S101-E103 PolarHBondContact O-N 3.01Å
102K36Very low51.1Low217 Ų217101.8 Ų101.894%0.94352%0.521SS*.  trans-64.860.4162.5-66.6179.8176-179.80111.7
103E35.7Very low53.2Low155 Ų15599 Ų9972%0.72451%0.51SS*.  trans-78.8128165-69.3-160.7160.200108.3S101 I105S101-E103 PolarHBondContact O-N 3.01Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 3.18Å
104V38.4Very low55.5Low138 Ų13893 Ų9384%0.83648%0.482SS*.  trans-60.598.9174176.70000107K106V104-K106 PolarHBondContact O-N 2.99Å
105I44.8Very low57.8Low109 Ų10992.9 Ų92.956%0.55948%0.476SS*.  trans-61.5110.8179.8-57.2173.7000106.7E103E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 3.18Å
106K45.1Very low60.3Low155 Ų15587.7 Ų87.767%0.67446%0.456SS*.  trans-58137.3175.2-67.5178.3-177171.40108.1V104 Y108V104-K106 PolarHBondContact O-N 2.99Å; K106-Y108 PolarHBondContact O-N 2.9Å
107P54.3Low62.9Low88 Ų8884 Ų8457%0.57143%0.431SS*.  trans-61.2107.3178.625.3-32.7000108.7
108Y61.4Low65.5Low33 Ų3376 Ų7613%0.12940%0.397CS..  trans-127.3145.3-176.2170.9-99.5000109.5M42 P43 V76 N78 K106 W110 Y112M42-Y108 HydrophobicContact CB-CE2 4.15Å; M42-Y108 HydrophobicContact CE-CE2 4.42Å; M42-Y108 WeakPolarHBondContact CE-OH 3.43Å; M42-Y108 HydrophobicContact CG-CE2 3.71Å; P43-Y108 VanDerWaalsContact CD-CG 3.48Å; P43-Y108 HydrophobicContact CG-CD1 4Å; P43-Y108 HydrophobicContact CG-CG 3.89Å; V76-Y108 HydrophobicContact CG1-CE2 4.27Å; N78-Y108 WeakPolarHBondContact OD1-CE2 3.47Å; K106-Y108 PolarHBondContact O-N 2.9Å; Y108-W110 PolarHBondContact O-N 2.81Å; Y108-Y112 HydrophobicContact CE1-CE1 4.13Å; Y108-Y112 WeakPolarHBondContact OH-CD1 3.32Å; Y108-Y112 WeakPolarHBondContact OH-CE1 3.49Å
109D70.8Confident68.3Low19 Ų1975.2 Ų75.210%0.10238%0.382CS..  trans-78.487.5176.1-17519.2000111.3V76 T111 Y112 T113V76-D109 HydrophobicContact CG1-CB 4.3Å; D109-T111 VanDerWaalsContact CG-OG1 3.22Å; D109-T111 PolarHBondContact O-N 2.9Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.34Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.46Å; D109-T111 PolarHBondContact OD1-N 2.85Å; D109-T111 VanDerWaalsContact OD1-N 3.1Å; D109-T111 PolarHBondContact OD1-OG1 3.41Å; D109-T111 PolarHBondContact OD2-OG1 3.04Å; D109-Y112 PolarHBondContact O-N 2.84Å; D109-Y112 VanDerWaalsContact O-N 3.16Å; D109-T113 VanDerWaalsContact OD2-CB 3.28Å; D109-T113 WeakPolarHBondContact OD2-CB 3.46Å; D109-T113 PolarHBondContact OD2-N 2.92Å; D109-T113 VanDerWaalsContact OD2-N 3.14Å
110W79.4Confident70.7Confident23 Ų2369 Ų699%0.08735%0.354CS..THydrogen-bonded Turntrans-63.6-7.8174.661.8-92.7000113.6W91 Y108 Y112 L160 I189W91-W110 HydrophobicContact CD2-CD2 4.47Å; W91-W110 HydrophobicContact CE3-CD2 4.36Å; W91-W110 HydrophobicContact CE3-CG 4.29Å; W91-W110 HydrophobicContact CH2-CB 3.67Å; W91-W110 HydrophobicContact CH2-CD2 4.12Å; W91-W110 HydrophobicContact CH2-CE3 4.38Å; W91-W110 AromaticContact CH2-CG 3.82Å; W91-W110 HydrophobicContact CH2-CG 3.82Å; W91-W110 HydrophobicContact CZ2-CB 4.41Å; W91-W110 HydrophobicContact CZ2-CD2 4.21Å; W91-W110 HydrophobicContact CZ2-CE3 4.06Å; W91-W110 HydrophobicContact CZ2-CG 4.38Å; W91-W110 HydrophobicContact CZ3-CB 3.95Å; W91-W110 AromaticContact CZ3-CD1 3.97Å; W91-W110 HydrophobicContact CZ3-CD2 4.2Å; W91-W110 AromaticContact CZ3-CG 3.77Å; W91-W110 HydrophobicContact CZ3-CG 3.77Å; Y108-W110 PolarHBondContact O-N 2.81Å; W110-Y112 VanDerWaalsContact C-N 3.31Å; W110-Y112 WeakPolarHBondContact O-CD2 3.48Å; W110-Y112 WeakPolarHBondContact O-CE2 3.43Å; W110-L160 HydrophobicContact CE3-CB 4.48Å; W110-L160 HydrophobicContact CE3-CD2 3.81Å; W110-L160 HydrophobicContact CZ3-CB 3.87Å; W110-L160 HydrophobicContact CZ3-CD1 3.88Å; W110-L160 HydrophobicContact CZ3-CD2 3.77Å; W110-L160 HydrophobicContact CZ3-CG 4.03Å; W110-I189 HydrophobicContact CH2-CD1 3.79Å; W110-I189 HydrophobicContact CH2-CG1 4.17Å; W110-I189 HydrophobicContact CH2-CG2 4.34Å; W110-I189 HydrophobicContact CZ2-CD1 4.24Å
111T87.1Confident73.5Confident0 Ų062.4 Ų62.40%032%0.324CS..THydrogen-bonded Turntrans-84.4-7.8176.976.70000113D109 T113 S166 L187 I189D109-T111 VanDerWaalsContact CG-OG1 3.22Å; D109-T111 PolarHBondContact O-N 2.9Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.34Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.46Å; D109-T111 PolarHBondContact OD1-N 2.85Å; D109-T111 VanDerWaalsContact OD1-N 3.1Å; D109-T111 PolarHBondContact OD1-OG1 3.41Å; D109-T111 PolarHBondContact OD2-OG1 3.04Å; T111-T113 PolarHBondContact O-N 2.67Å; T111-T113 PolarHBondContact OG1-OG1 2.65Å; T111-S166 WeakPolarHBondContact O-CB 3.34Å; T111-S166 PolarHBondContact O-OG 2.9Å; T111-L187 HydrophobicContact CG2-CD1 4.39Å; T111-L187 HydrophobicContact CG2-CD2 4.12Å; T111-I189 HydrophobicContact CG2-CD1 3.92Å
112Y91.4Very high76.2Confident6 Ų658.9 Ų58.92%0.02430%0.303CS..  trans54.234.5-177.6-50.4-73.4000112.9M42 S44 L45 P46 L73 Y108 D109 W110 T114 D158 F185M42-Y112 HydrophobicContact CE-CD1 3.71Å; M42-Y112 HydrophobicContact CE-CE1 3.76Å; S44-Y112 WeakPolarHBondContact O-CE1 3.43Å; S44-Y112 PolarHBondContact OG-OH 2.78Å; L45-Y112 VanDerWaalsContact C-OH 3.28Å; L45-Y112 PolarHBondContact O-OH 2.92Å; P46-Y112 HydrophobicContact CB-CE2 4.43Å; P46-Y112 HydrophobicContact CG-CD1 4.04Å; P46-Y112 HydrophobicContact CG-CD2 3.9Å; P46-Y112 HydrophobicContact CG-CE1 4.16Å; P46-Y112 HydrophobicContact CG-CE2 4.01Å; P46-Y112 HydrophobicContact CG-CG 3.91Å; L73-Y112 HydrophobicContact CD2-CD1 4.18Å; Y108-Y112 HydrophobicContact CE1-CE1 4.13Å; Y108-Y112 WeakPolarHBondContact OH-CD1 3.32Å; Y108-Y112 WeakPolarHBondContact OH-CE1 3.49Å; D109-Y112 PolarHBondContact O-N 2.84Å; D109-Y112 VanDerWaalsContact O-N 3.16Å; W110-Y112 VanDerWaalsContact C-N 3.31Å; W110-Y112 WeakPolarHBondContact O-CD2 3.48Å; W110-Y112 WeakPolarHBondContact O-CE2 3.43Å; Y112-T114 PolarHBondContact O-N 2.86Å; Y112-D158 HydrophobicContact CD2-CB 4.25Å; Y112-D158 HydrophobicContact CE2-CB 4.03Å; Y112-F185 WeakPolarHBondContact O-CE2 3.45Å
113T93.3Very high78.4Confident24 Ų2458 Ų5815%0.14730%0.303CS..  trans-65122.5-179.9-650000109.9D109 T111 F185 R195D109-T113 VanDerWaalsContact OD2-CB 3.28Å; D109-T113 WeakPolarHBondContact OD2-CB 3.46Å; D109-T113 PolarHBondContact OD2-N 2.92Å; D109-T113 VanDerWaalsContact OD2-N 3.14Å; T111-T113 PolarHBondContact O-N 2.67Å; T111-T113 PolarHBondContact OG1-OG1 2.65Å; T113-F185 VanDerWaalsContact CA-CZ 3.5Å; T113-F185 HydrophobicContact CG2-CE1 4.07Å; T113-R195 PolarHBondContact OG1-NH1 3.08Å
114T94.6Very high80.7Confident3 Ų356 Ų562%0.01831%0.306CS..  trans-124.7138.3-178.1-178.70000111.3A72 C75 Y112 Y116 F156 L168 F185 N197A72-T114 HydrophobicContact CB-CG2 4.46Å; A72-T114 WeakPolarHBondContact O-CB 3.34Å; A72-T114 PolarHBondContact O-OG1 2.77Å; C75-T114 WeakPolarHBondContact CB-OG1 3.44Å; Y112-T114 PolarHBondContact O-N 2.86Å; T114-Y116 VanDerWaalsContact C-N 3.34Å; T114-Y116 WeakPolarHBondContact OG1-CB 3.17Å; T114-Y116 PolarHBondContact OG1-N 2.95Å; T114-F156 HydrophobicContact CG2-CZ 4.48Å; T114-L168 HydrophobicContact CG2-CD1 4.24Å; T114-L168 HydrophobicContact CG2-CD2 4.4Å; T114-F185 HydrophobicContact CG2-CB 4.35Å; T114-F185 HydrophobicContact CG2-CD2 3.95Å; T114-F185 HydrophobicContact CG2-CG 4.21Å; T114-N197 PolarHBondContact O-ND2 3.18Å
115D95.4Very high83.2Confident66 Ų6651.4 Ų51.435%0.35328%0.276SS..  trans-9916.7171.681.6-41.8000112.2K117 Y214D115-K117 WeakPolarHBondContact O-CG 3.5Å; D115-K117 PolarHBondContact O-N 3.31Å; D115-K117 PolarHBondContact O-NZ 2.74Å; D115-K117 IonicContact OD2-NZ 3.73Å; D115-K117 PolarHBondContact OD2-NZ 2.7Å; D115-Y214 HydrophobicContact CB-CE2 4.4Å
116Y97.7Very high85.4Confident13 Ų1352.1 Ų52.15%0.05128%0.275CS..  trans-54.1132.2-177.4177.3-115.6000113.1E66 F67 D71 A72 T114 T119 L183 T199E66-Y116 PolarHBondContact O-OH 3.38Å; E66-Y116 VanDerWaalsContact O-OH 3.09Å; F67-Y116 HydrophobicContact CB-CE1 4.49Å; F67-Y116 HydrophobicContact CD1-CE1 4.08Å; D71-Y116 HydrophobicContact CB-CD2 4.42Å; D71-Y116 HydrophobicContact CB-CE2 3.64Å; A72-Y116 HydrophobicContact CB-CD1 3.58Å; A72-Y116 HydrophobicContact CB-CE1 4.15Å; A72-Y116 HydrophobicContact CB-CG 3.81Å; T114-Y116 VanDerWaalsContact C-N 3.34Å; T114-Y116 WeakPolarHBondContact OG1-CB 3.17Å; T114-Y116 PolarHBondContact OG1-N 2.95Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.24Å; Y116-T119 PolarHBondContact OH-N 2.92Å; Y116-T119 PolarHBondContact OH-OG1 2.64Å; Y116-L183 HydrophobicContact CD1-CD2 3.75Å; Y116-L183 HydrophobicContact CE1-CD2 4.35Å; Y116-L183 VanDerWaalsContact O-CD2 3.23Å; Y116-L183 WeakPolarHBondContact O-CD2 3.43Å; Y116-T199 PolarHBondContact O-OG1 3.02Å
117K97.7Very high87.7Confident34 Ų3445.1 Ų45.115%0.14825%0.245CC..  trans-119.918.3-173.9-47.6-176.6179.660.50112.8D115 T199 R212 Y214D115-K117 WeakPolarHBondContact O-CG 3.5Å; D115-K117 PolarHBondContact O-N 3.31Å; D115-K117 PolarHBondContact O-NZ 2.74Å; D115-K117 IonicContact OD2-NZ 3.73Å; D115-K117 PolarHBondContact OD2-NZ 2.7Å; K117-T199 HydrophobicContact CB-CG2 4.17Å; K117-R212 WeakPolarHBondContact O-CD 3.5Å; K117-R212 PolarHBondContact O-NH1 2.89Å; K117-Y214 HydrophobicContact CD-CD2 4.3Å; K117-Y214 HydrophobicContact CD-CG 4.25Å; K117-Y214 HydrophobicContact CG-CD2 4.14Å
118G97.3Very high89.7Confident12 Ų1247.6 Ų47.612%0.12425%0.247CC..  trans89.9151.2-17500000113.8E66 F67E66-G118 CarbonylContact O-C 3.53Å; E66-G118 WeakPolarHBondContact O-CA 3.46Å; F67-G118 VanDerWaalsContact CE1-CA 3.48Å
119T98Very high91.4Very high35 Ų3548.7 Ų48.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-94.4121.1-179.9-58.70000109.8I65 E66 D71 Y116I65-T119 CarbonylContact C-O 3.6Å; I65-T119 VanDerWaalsContact CA-O 3.3Å; I65-T119 WeakPolarHBondContact CA-O 3.35Å; I65-T119 WeakPolarHBondContact CG1-O 3.37Å; E66-T119 PolarHBondContact N-O 2.92Å; E66-T119 PolarHBondContact O-N 3.41Å; D71-T119 WeakPolarHBondContact CB-OG1 3.24Å; D71-T119 VanDerWaalsContact CG-OG1 3.29Å; D71-T119 WeakPolarHBondContact OD2-CB 3.37Å; D71-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T119 PolarHBondContact OD2-OG1 2.88Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.24Å; Y116-T119 PolarHBondContact OH-N 2.92Å; Y116-T119 PolarHBondContact OH-OG1 2.64Å
120L96.9Very high92.7Very high53 Ų5349.5 Ų49.528%0.27726%0.262SS..EExtended strand (participates in β ladder)trans-76.8129.2179-57.5-179.6000110.8I65 L127 V129 L252I65-L120 HydrophobicContact CB-CD2 4.43Å; I65-L120 HydrophobicContact CD1-CD2 4.03Å; I65-L120 HydrophobicContact CG1-CD2 4.2Å; L120-L127 HydrophobicContact CD2-CB 4.24Å; L120-L127 HydrophobicContact CD2-CD1 4.1Å; L120-V129 HydrophobicContact CD1-CG2 3.73Å; L120-L252 HydrophobicContact CD2-CD1 4.4Å
121L94.6Very high93.5Very high33 Ų3354.2 Ų54.217%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-101.5157.4-178.7-60.8178.8000112.3R56 F63 G64 E66R56-L121 HydrophobicContact CG-CD1 3.68Å; F63-L121 WeakPolarHBondContact CA-O 3.49Å; G64-L121 PolarHBondContact N-O 2.83Å; G64-L121 PolarHBondContact O-N 2.87Å; E66-L121 HydrophobicContact CB-CD1 4.02Å; E66-L121 HydrophobicContact CB-CG 4.43Å; E66-L121 HydrophobicContact CG-CD1 4.14Å; E66-L121 HydrophobicContact CG-CD2 3.89Å; E66-L121 HydrophobicContact CG-CG 4.12Å
122G90.1Very high93.9Very high20 Ų2055.7 Ų55.721%0.20631%0.305CS..  trans124.1135.6173.500000112.2L125 K126G122-L125 WeakPolarHBondContact CA-O 3.18Å; G122-K126 WeakPolarHBondContact O-CE 3.43Å; G122-K126 WeakPolarHBondContact O-CG 3.41Å
123E83.1Confident94.1Very high200 Ų20061.3 Ų61.394%0.93534%0.34SS*.SBendtrans-79.8-54.6179.9-67.3179.8178.400111.2
124S84.3Confident94.1Very high113 Ų11363.1 Ų63.179%0.7935%0.349SS*.SBendtrans-101.6-40.8-177.855.10000113
125L89.8Confident94Very high40 Ų4069 Ų6921%0.20938%0.376CS..  trans-104.1121179.4-61.5-176.8000108.9F63 G122 P255 R257F63-L125 HydrophobicContact CB-CB 4.43Å; F63-L125 VanDerWaalsContact CB-O 3.24Å; F63-L125 WeakPolarHBondContact CB-O 3.27Å; G122-L125 WeakPolarHBondContact CA-O 3.18Å; L125-P255 HydrophobicContact CB-CB 4.23Å; L125-P255 HydrophobicContact CB-CG 3.79Å; L125-P255 HydrophobicContact CD2-CB 4.09Å; L125-P255 HydrophobicContact CD2-CG 4.44Å; L125-P255 HydrophobicContact CG-CG 4.47Å; L125-R257 HydrophobicContact CD1-CB 4.43Å; L125-R257 HydrophobicContact CD2-CB 4.37Å
126K91.4Very high93.9Very high124 Ų12466.3 Ų66.354%0.53936%0.361SS..  trans-128.7152.2178.7-70.6-175.1177-177.70110.7G122G122-K126 WeakPolarHBondContact O-CE 3.43Å; G122-K126 WeakPolarHBondContact O-CG 3.41Å
127L94.3Very high93.5Very high8 Ų868.6 Ų68.64%0.04237%0.374CS..PPolyproline II helixtrans-64.6132169.9-68.1170.8000109.8F63 L120 L252 F254F63-L127 HydrophobicContact CD2-CD2 3.57Å; F63-L127 HydrophobicContact CD2-CG 3.87Å; F63-L127 HydrophobicContact CE2-CD2 3.69Å; F63-L127 HydrophobicContact CE2-CG 4.47Å; L120-L127 HydrophobicContact CD2-CB 4.24Å; L120-L127 HydrophobicContact CD2-CD1 4.1Å; L127-L252 HydrophobicContact CB-CB 4.32Å; L127-L252 HydrophobicContact CD1-CB 4.28Å; L127-L252 HydrophobicContact CD1-CD1 4.16Å; L127-L252 HydrophobicContact CD2-CB 4.37Å; L127-F254 HydrophobicContact CD2-CD1 3.52Å; L127-F254 HydrophobicContact CD2-CE1 3.95Å
128K95.8Very high92.6Very high141 Ų14171.1 Ų71.161%0.61339%0.393SS*.EExtended strand (participates in β ladder)trans-94.9116.7174.6-176.8-178.3177.2179.90109.7V130 I253K128-V130 HydrophobicContact CD-CG1 4.27Å; K128-V130 HydrophobicContact CG-CG1 4.09Å; K128-I253 HydrophobicContact CB-CB 4.36Å; K128-I253 PolarHBondContact N-O 2.81Å; K128-I253 PolarHBondContact O-N 2.99Å
129V97.3Very high91.8Very high55 Ų5577.6 Ų77.633%0.33342%0.42SS..EExtended strand (participates in β ladder)trans-77.7124.9175.4-172.80000109L120 E250 K251 L252L120-V129 HydrophobicContact CD1-CG2 3.73Å; V129-E250 HydrophobicContact CG1-CB 4Å; V129-E250 VanDerWaalsContact CG1-CD 3.49Å; V129-E250 HydrophobicContact CG1-CG 4.02Å; V129-E250 VanDerWaalsContact CG1-OE1 3.26Å; V129-E250 WeakPolarHBondContact CG1-OE1 3.45Å; V129-K251 WeakPolarHBondContact CA-O 3.46Å; V129-L252 HydrophobicContact CB-CD2 4.28Å; V129-L252 HydrophobicContact CG1-CD2 4.29Å; V129-L252 HydrophobicContact CG2-CD2 3.67Å
130V97.4Very high90.8Very high37 Ų3780.5 Ų80.522%0.22443%0.429CS..EExtended strand (participates in β ladder)trans-132.5141.3173.2-57.70000110.5K128 E250 K251 I253K128-V130 HydrophobicContact CD-CG1 4.27Å; K128-V130 HydrophobicContact CG-CG1 4.09Å; V130-E250 CarbonylContact O-C 3.57Å; V130-E250 VanDerWaalsContact O-CA 3.31Å; V130-E250 WeakPolarHBondContact O-CA 3.35Å; V130-K251 HydrophobicContact CG2-CB 3.71Å; V130-K251 PolarHBondContact N-O 3.14Å; V130-K251 PolarHBondContact O-N 2.97Å; V130-I253 HydrophobicContact CG1-CG1 4.34Å; V130-I253 HydrophobicContact CG2-CD1 4.05Å; V130-I253 HydrophobicContact CG2-CG1 3.76Å
131P96.7Very high89.7Confident122 Ų12279.8 Ų79.879%0.79243%0.426SS*.EExtended strand (participates in β ladder)trans-59.4147.5172.4-22.433.3000111.4
132T95.9Very high88.9Confident30 Ų3086.3 Ų86.318%0.18445%0.453CS..  trans-145.7157.1175.9-163.90000111.8D134 L211 C249 K251T132-D134 HydrophobicContact CG2-CB 4.16Å; T132-D134 PolarHBondContact OG1-N 2.81Å; T132-L211 HydrophobicContact CG2-CD2 4.14Å; T132-C249 HydrophobicContact CG2-CB 4.11Å; T132-C249 PolarHBondContact N-O 3.27Å; T132-C249 VanDerWaalsContact N-O 3.09Å; T132-K251 HydrophobicContact CG2-CG 3.95Å; T132-K251 WeakPolarHBondContact OG1-CE 3.44Å
133T94.1Very high88.2Confident125 Ų12587.9 Ų87.977%0.76746%0.463SS*.SBendtrans-94.7-4.5167.852.60000112.2H135T133-H135 PolarHBondContact O-CD2 2.93Å
134D93.9Very high87.5Confident61 Ų6190.6 Ų90.633%0.32647%0.465SS..  trans-73.8138.7179.5-68.422.5000109.6T132 L211 K251T132-D134 HydrophobicContact CG2-CB 4.16Å; T132-D134 PolarHBondContact OG1-N 2.81Å; D134-L211 HydrophobicContact CB-CD2 3.81Å; D134-K251 IonicContact OD1-NZ 2.66Å; D134-K251 WeakPolarHBondContact OD2-CE 3.23Å; D134-K251 IonicContact OD2-NZ 3.85Å; D134-K251 PolarHBondContact OD2-NZ 3.4Å
135H93.4Very high87.4Confident127 Ų12788.7 Ų88.759%0.58844%0.444SS*.  trans-113.4153.5179.8-73.3-70000112T133 D137 E213 C249T133-H135 PolarHBondContact O-CD2 2.93Å; H135-D137 PolarHBondContact O-N 2.93Å; H135-E213 WeakPolarHBondContact CA-OE1 3.5Å; H135-E213 WeakPolarHBondContact CB-OE1 3.31Å; H135-E213 IonicContact CG-OE1 3.5Å; H135-E213 IonicContact ND1-OE1 3.67Å; H135-E213 PolarHBondContact ND1-OE1 3.2Å; H135-C249 PolarHBondContact CE1-SG 2.85Å; H135-C249 PolarHBondContact ND1-SG 2.86Å; H135-C249 VanDerWaalsContact ND1-SG 3.44Å
136I93.2Very high87.4Confident9 Ų994.2 Ų94.25%0.04647%0.468CS..  trans-69.6117.8172.4-62.5171.5000108.2T138 L141 F180 R200 Y202 L211 E213I136-T138 PolarHBondContact O-N 2.88Å; I136-L141 HydrophobicContact CG2-CD1 3.93Å; I136-F180 HydrophobicContact CG2-CE2 4.36Å; I136-R200 HydrophobicContact CD1-CB 3.6Å; I136-Y202 HydrophobicContact CG2-CD1 4.34Å; I136-Y202 HydrophobicContact CG2-CG 4.08Å; I136-L211 HydrophobicContact CG1-CB 3.91Å; I136-L211 HydrophobicContact CG1-CD1 4.47Å; I136-E213 HydrophobicContact CD1-CB 4.05Å; I136-E213 HydrophobicContact CD1-CG 3.77Å; I136-E213 HydrophobicContact CG1-CG 3.83Å; I136-E213 PolarHBondContact N-OE1 3.45Å
137D87.9Confident87.4Confident62 Ų6291.8 Ų91.833%0.33246%0.461SS..  trans-7198.3178.4-173.7-14.4000110.6H135 E139 K140 L141H135-D137 PolarHBondContact O-N 2.93Å; D137-E139 PolarHBondContact O-N 2.83Å; D137-E139 WeakPolarHBondContact OD1-CB 3.26Å; D137-E139 PolarHBondContact OD1-N 3.21Å; D137-K140 HydrophobicContact CB-CB 4.34Å; D137-K140 HydrophobicContact CB-CD 3.98Å; D137-K140 HydrophobicContact CB-CG 4.09Å; D137-K140 PolarHBondContact O-N 3.06Å; D137-K140 PolarHBondContact OD1-N 3.48Å; D137-K140 WeakPolarHBondContact OD2-CE 3.14Å; D137-K140 WeakPolarHBondContact OD2-CG 3.44Å; D137-L141 PolarHBondContact O-N 2.83Å
138T79.6Confident87.3Confident87 Ų8797 Ų9753%0.53448%0.483SS..Hα-helixtrans-65.5-20.1179.164.30000113.5I136 L141 K142I136-T138 PolarHBondContact O-N 2.88Å; T138-L141 PolarHBondContact O-N 2.75Å; T138-K142 PolarHBondContact O-N 2.86Å
139E80Confident87.3Confident148 Ų14890.7 Ų90.769%0.69246%0.456SS*.Hα-helixtrans-71.8-39.5176.8-57.1-165.6141.700110.5D137 L141 K142 A143D137-E139 PolarHBondContact O-N 2.83Å; D137-E139 WeakPolarHBondContact OD1-CB 3.26Å; D137-E139 PolarHBondContact OD1-N 3.21Å; E139-L141 PolarHBondContact O-N 3.03Å; E139-K142 WeakPolarHBondContact O-CB 3.29Å; E139-K142 PolarHBondContact O-N 2.89Å; E139-A143 PolarHBondContact O-N 2.8Å
140K77.8Confident87.2Confident95 Ų9592.4 Ų92.441%0.41346%0.459SS..Hα-helixtrans-60.5-34.8171.3-69.8-178.4-176.8-176.10112.5D137 K142 A143 E204D137-K140 HydrophobicContact CB-CB 4.34Å; D137-K140 HydrophobicContact CB-CD 3.98Å; D137-K140 HydrophobicContact CB-CG 4.09Å; D137-K140 PolarHBondContact O-N 3.06Å; D137-K140 PolarHBondContact OD1-N 3.48Å; D137-K140 WeakPolarHBondContact OD2-CE 3.14Å; D137-K140 WeakPolarHBondContact OD2-CG 3.44Å; K140-K142 PolarHBondContact O-N 3.36Å; K140-A143 WeakPolarHBondContact O-CB 3.21Å; K140-A143 PolarHBondContact O-N 2.82Å; K140-A143 VanDerWaalsContact O-N 3.14Å; K140-E204 WeakPolarHBondContact CD-OE1 2.98Å; K140-E204 IonicContact NZ-OE1 2.71Å; K140-E204 PolarHBondContact NZ-OE1 3.09Å; K140-E204 IonicContact NZ-OE2 3.67Å
141L74.3Confident87.2Confident39 Ų3991.3 Ų91.320%0.20445%0.451CS..Hα-helixtrans-69.6-21.1175.8-61.5178.5000113.5I136 D137 T138 E139 F180 Y202I136-L141 HydrophobicContact CG2-CD1 3.93Å; D137-L141 PolarHBondContact O-N 2.83Å; T138-L141 PolarHBondContact O-N 2.75Å; E139-L141 PolarHBondContact O-N 3.03Å; L141-F180 HydrophobicContact CD1-CD2 3.59Å; L141-F180 HydrophobicContact CD1-CE1 4.48Å; L141-F180 HydrophobicContact CD1-CE2 3.51Å; L141-F180 HydrophobicContact CD1-CG 4.11Å; L141-F180 HydrophobicContact CD1-CZ 3.98Å; L141-F180 HydrophobicContact CD2-CB 3.74Å; L141-F180 HydrophobicContact CD2-CD2 3.72Å; L141-F180 HydrophobicContact CD2-CG 3.76Å; L141-F180 HydrophobicContact CG-CD2 4.33Å; L141-Y202 HydrophobicContact CD2-CD2 3.91Å; L141-Y202 HydrophobicContact CD2-CE2 3.78Å
142K76.1Confident87.2Confident170 Ų17089.3 Ų89.374%0.73943%0.431SS*.Hα-helixtrans-83.5-14.5172.9-67.3175.4-176.7173.40112.6T138 E139 K140 R144T138-K142 PolarHBondContact O-N 2.86Å; E139-K142 WeakPolarHBondContact O-CB 3.29Å; E139-K142 PolarHBondContact O-N 2.89Å; K140-K142 PolarHBondContact O-N 3.36Å; K142-R144 PolarHBondContact O-N 3.14Å
143A75.4Confident87.3Confident52 Ų5287.9 Ų87.943%0.4342%0.422SS..SBendtrans-58.7131.6174.900000109.7E139 K140 E145E139-A143 PolarHBondContact O-N 2.8Å; K140-A143 WeakPolarHBondContact O-CB 3.21Å; K140-A143 PolarHBondContact O-N 2.82Å; K140-A143 VanDerWaalsContact O-N 3.14Å; A143-E145 PolarHBondContact O-N 2.86Å
144R69.3Low87.4Confident257 Ų25784.4 Ų84.497%0.9740%0.399SS*.  trans-79.364.8-177.9-68.9-176.3174.9-178.3-1.4110.8K142K142-R144 PolarHBondContact O-N 3.14Å
145E82.6Confident87.6Confident73 Ų7381.5 Ų81.534%0.34138%0.383SS..  trans-77.6145.2163.2-70.5-166.3-152.200110.2A143 I147 M175 P176 S177A143-E145 PolarHBondContact O-N 2.86Å; E145-I147 PolarHBondContact O-N 2.9Å; E145-M175 HydrophobicContact CB-CB 4.09Å; E145-M175 HydrophobicContact CB-CG 4.44Å; E145-M175 WeakPolarHBondContact OE2-CB 3.02Å; E145-P176 VanDerWaalsContact OE2-CD 3.31Å; E145-P176 WeakPolarHBondContact OE2-CD 3.48Å; E145-S177 PolarHBondContact OE1-OG 2.73Å; E145-S177 PolarHBondContact OE2-OG 2.82Å; E145-S177 VanDerWaalsContact OE2-OG 3.05Å
146Q88.3Confident87.8Confident156 Ų15675.4 Ų75.473%0.72936%0.355SS*.  trans-65.8124175.3-174.7-178.625.200109.5K148 P176Q146-K148 PolarHBondContact O-N 3.36Å; Q146-K148 VanDerWaalsContact O-N 3.13Å; Q146-P176 WeakPolarHBondContact O-CD 3.36Å
147I92.1Very high88Confident73 Ų7377.6 Ų77.637%0.37437%0.365SS..  trans-71109.4173.8-55.2169.4000107.8E145 F149 F150 R173 M175E145-I147 PolarHBondContact O-N 2.9Å; I147-F149 VanDerWaalsContact CG2-O 3.26Å; I147-F149 WeakPolarHBondContact CG2-O 3.36Å; I147-F150 HydrophobicContact CG2-CB 4.03Å; I147-R173 VanDerWaalsContact CD1-NE 3.33Å; I147-R173 HydrophobicContact CG2-CB 4.48Å; I147-M175 HydrophobicContact CB-SD 4.4Å; I147-M175 HydrophobicContact CG1-CE 4.28Å; I147-M175 HydrophobicContact CG1-SD 4.04Å; I147-M175 HydrophobicContact CG2-SD 4.49Å
148K93.4Very high88.3Confident117 Ų11774.9 Ų74.951%0.50935%0.351SS..SBendtrans-75.7-35.4177.1-68.3-172173.71790111.6F13 Q146 V174F13-K148 HydrophobicContact CZ-CB 4.05Å; Q146-K148 PolarHBondContact O-N 3.36Å; Q146-K148 VanDerWaalsContact O-N 3.13Å; K148-V174 PolarHBondContact N-O 2.82Å
149F93.8Very high88.9Confident9 Ų974.8 Ų74.84%0.03934%0.344CS..EExtended strand (participates in β ladder)trans-145.3135.1-180-177.7-96.2000110.1F13 L20 I147 E151 I172 R173 V174F13-F149 HydrophobicContact CB-CD1 4.41Å; F13-F149 HydrophobicContact CB-CD2 3.59Å; F13-F149 HydrophobicContact CB-CE1 4.47Å; F13-F149 HydrophobicContact CB-CE2 3.67Å; F13-F149 HydrophobicContact CB-CG 3.97Å; F13-F149 HydrophobicContact CB-CZ 4.12Å; F13-F149 HydrophobicContact CD1-CB 3.64Å; F13-F149 HydrophobicContact CD1-CD1 4.34Å; F13-F149 HydrophobicContact CD1-CD2 4.18Å; F13-F149 AromaticContact CD1-CG 3.81Å; F13-F149 HydrophobicContact CD1-CG 3.81Å; F13-F149 HydrophobicContact CD2-CB 4.12Å; F13-F149 AromaticContact CD2-CD2 3.82Å; F13-F149 HydrophobicContact CD2-CD2 3.82Å; F13-F149 HydrophobicContact CD2-CG 4.21Å; F13-F149 HydrophobicContact CE1-CB 3.67Å; F13-F149 HydrophobicContact CE1-CG 4.36Å; F13-F149 HydrophobicContact CE2-CB 4.16Å; F13-F149 HydrophobicContact CG-CB 3.87Å; F13-F149 HydrophobicContact CG-CD1 4.46Å; F13-F149 AromaticContact CG-CD2 3.59Å; F13-F149 HydrophobicContact CG-CD2 3.59Å; F13-F149 HydrophobicContact CG-CE2 4.22Å; F13-F149 AromaticContact CG-CG 3.73Å; F13-F149 HydrophobicContact CG-CG 3.73Å; F13-F149 HydrophobicContact CZ-CB 3.94Å; L20-F149 HydrophobicContact CD2-CD1 3.7Å; L20-F149 HydrophobicContact CD2-CE1 3.66Å; I147-F149 VanDerWaalsContact CG2-O 3.26Å; I147-F149 WeakPolarHBondContact CG2-O 3.36Å; F149-E151 HydrophobicContact CD1-CB 4.47Å; F149-E151 HydrophobicContact CE1-CB 3.53Å; F149-E151 HydrophobicContact CE1-CG 4.5Å; F149-E151 HydrophobicContact CZ-CB 3.7Å; F149-E151 HydrophobicContact CZ-CG 4.27Å; F149-I172 HydrophobicContact CD1-CG2 4.45Å; F149-I172 HydrophobicContact CE1-CG2 4.18Å; F149-R173 WeakPolarHBondContact O-CA 3.48Å; F149-V174 HydrophobicContact CB-CB 4.03Å; F149-V174 HydrophobicContact CB-CG2 4.13Å; F149-V174 HydrophobicContact CD1-CG2 4.09Å; F149-V174 PolarHBondContact N-O 3.4Å; F149-V174 PolarHBondContact O-N 2.6Å
150F95.8Very high89.3Confident92 Ų9267.8 Ų67.840%0.40431%0.312SS..EExtended strand (participates in β ladder)trans-133.3136.3170.9174.6-105000108.6I147 E152 K171 I172 R173I147-F150 HydrophobicContact CG2-CB 4.03Å; F150-E152 HydrophobicContact CE1-CB 4.46Å; F150-E152 HydrophobicContact CZ-CB 4.22Å; F150-K171 HydrophobicContact CE2-CB 4.34Å; F150-K171 HydrophobicContact CE2-CD 4.5Å; F150-I172 WeakPolarHBondContact CA-O 3.3Å; F150-I172 VanDerWaalsContact CD2-O 3.3Å; F150-I172 WeakPolarHBondContact CD2-O 3.33Å; F150-R173 HydrophobicContact CD2-CG 3.59Å; F150-R173 HydrophobicContact CE2-CG 4.13Å
151E96.9Very high89.6Confident13 Ų1366.6 Ų66.66%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-150.2146.5173.3-163.459.3-92.500111.1R11 A22 K24 F149 V153 K171 I172R11-E151 WeakPolarHBondContact CD-OE2 3.49Å; R11-E151 IonicContact CZ-OE2 2.92Å; R11-E151 IonicContact NE-OE2 2.74Å; R11-E151 IonicContact NH1-OE2 2.71Å; R11-E151 PolarHBondContact NH1-OE2 2.93Å; A22-E151 HydrophobicContact CB-CG 3.58Å; K24-E151 WeakPolarHBondContact CE-OE1 3.36Å; K24-E151 IonicContact NZ-OE1 2.64Å; K24-E151 PolarHBondContact NZ-OE1 2.9Å; F149-E151 HydrophobicContact CD1-CB 4.47Å; F149-E151 HydrophobicContact CE1-CB 3.53Å; F149-E151 HydrophobicContact CE1-CG 4.5Å; F149-E151 HydrophobicContact CZ-CB 3.7Å; F149-E151 HydrophobicContact CZ-CG 4.27Å; E151-V153 HydrophobicContact CG-CG2 4.34Å; E151-K171 CarbonylContact O-C 3.55Å; E151-K171 WeakPolarHBondContact O-CA 3.5Å; E151-K171 WeakPolarHBondContact O-CB 3.41Å; E151-I172 HydrophobicContact CB-CG2 4.22Å; E151-I172 PolarHBondContact N-O 3.37Å; E151-I172 VanDerWaalsContact N-O 3.14Å; E151-I172 PolarHBondContact O-N 3.18Å
152E96.9Very high90.2Very high80 Ų8071.3 Ų71.337%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-134.4125.6176.9176.6163.9-14300109.8K24 F150 V170 K171K24-E152 WeakPolarHBondContact CE-O 3.34Å; K24-E152 PolarHBondContact NZ-O 2.82Å; F150-E152 HydrophobicContact CE1-CB 4.46Å; F150-E152 HydrophobicContact CZ-CB 4.22Å; E152-V170 CarbonylContact C-O 3.53Å; E152-V170 WeakPolarHBondContact CA-O 3.38Å; E152-K171 HydrophobicContact CB-CB 3.87Å; E152-K171 HydrophobicContact CG-CB 4.04Å
153V97.4Very high90.7Very high0 Ų067.7 Ų67.70%032%0.318CS..EExtended strand (participates in β ladder)trans-122.4121.2-175.8-178.70000108.4A22 K24 N53 L55 E151 L155 S169 V170A22-V153 HydrophobicContact CB-CG2 4.15Å; K24-V153 HydrophobicContact CG-CG1 4.43Å; K24-V153 HydrophobicContact CG-CG2 4.22Å; N53-V153 HydrophobicContact CB-CG1 3.79Å; L55-V153 HydrophobicContact CB-CG2 4.29Å; L55-V153 HydrophobicContact CD1-CG2 4.39Å; E151-V153 HydrophobicContact CG-CG2 4.34Å; V153-L155 HydrophobicContact CG1-CD2 4.08Å; V153-S169 WeakPolarHBondContact O-CA 3.36Å; V153-V170 HydrophobicContact CB-CG1 3.99Å; V153-V170 PolarHBondContact N-O 3.43Å; V153-V170 PolarHBondContact O-N 3.44Å
154L97.5Very high91.5Very high52 Ų5265.6 Ų65.627%0.27230%0.302SS..EExtended strand (participates in β ladder)trans-79.2132.1170.1-175.762.7000108.8F50 N53 E157F50-L154 HydrophobicContact CD2-CD2 4.32Å; F50-L154 HydrophobicContact CD2-CG 4.15Å; F50-L154 HydrophobicContact CE2-CB 4.42Å; F50-L154 HydrophobicContact CE2-CD2 3.49Å; F50-L154 VanDerWaalsContact CE2-CD2 3.49Å; F50-L154 HydrophobicContact CE2-CG 3.82Å; F50-L154 HydrophobicContact CZ-CD2 4.03Å; N53-L154 PolarHBondContact ND2-O 2.63Å; L154-E157 HydrophobicContact CD2-CB 4.44Å
155L97.7Very high92.7Very high0 Ų054.3 Ų54.30%026%0.261CS..EExtended strand (participates in β ladder)trans-101.5-48-178.3-61.4-177.4000111.1F50 N53 F67 A69 V153 L168 V170 L183F50-L155 WeakPolarHBondContact CB-O 3.32Å; F50-L155 PolarHBondContact N-O 2.84Å; N53-L155 HydrophobicContact CB-CD2 4.25Å; F67-L155 HydrophobicContact CB-CD1 4.36Å; A69-L155 HydrophobicContact CB-CB 4Å; A69-L155 WeakPolarHBondContact CB-O 3.44Å; V153-L155 HydrophobicContact CG1-CD2 4.08Å; L155-L168 WeakPolarHBondContact CA-O 3.45Å; L155-L168 HydrophobicContact CB-CB 4.38Å; L155-L168 HydrophobicContact CB-CD2 4.1Å; L155-L168 HydrophobicContact CB-CG 4.25Å; L155-L168 WeakPolarHBondContact CB-O 3.3Å; L155-L168 HydrophobicContact CD1-CD2 3.72Å; L155-L168 HydrophobicContact CD1-CG 4.02Å; L155-L168 PolarHBondContact N-O 2.73Å; L155-V170 HydrophobicContact CD1-CG1 4.39Å; L155-V170 HydrophobicContact CD2-CG1 4.41Å; L155-V170 HydrophobicContact CG-CG1 4.42Å; L155-L183 HydrophobicContact CD1-CD1 3.93Å
156F97.4Very high93.3Very high0 Ų050.9 Ų50.90%025%0.245CC..EExtended strand (participates in β ladder)trans-153.3160168.466.2-106.5000111.6P46 M48 M49 A69 A72 L73 T114 S167 L168 F185P46-F156 HydrophobicContact CB-CB 3.93Å; P46-F156 HydrophobicContact CB-CD2 4.01Å; P46-F156 HydrophobicContact CB-CG 4.23Å; P46-F156 HydrophobicContact CG-CB 3.98Å; P46-F156 HydrophobicContact CG-CD2 3.65Å; P46-F156 HydrophobicContact CG-CE2 4.24Å; P46-F156 HydrophobicContact CG-CG 3.83Å; M48-F156 CarbonylContact O-C 3.55Å; M48-F156 WeakPolarHBondContact O-CA 3.29Å; M49-F156 HydrophobicContact SD-CB 4.06Å; A69-F156 HydrophobicContact CB-CD1 4.4Å; A72-F156 HydrophobicContact CB-CE1 4.45Å; L73-F156 HydrophobicContact CD2-CD1 4.2Å; L73-F156 HydrophobicContact CD2-CE1 3.85Å; L73-F156 HydrophobicContact CD2-CZ 4.24Å; L73-F156 HydrophobicContact CG-CD1 4.44Å; L73-F156 HydrophobicContact CG-CE1 4.36Å; T114-F156 HydrophobicContact CG2-CZ 4.48Å; F156-S167 WeakPolarHBondContact O-CA 3.44Å; F156-L168 HydrophobicContact CD1-CB 3.77Å; F156-L168 HydrophobicContact CD1-CD2 3.95Å; F156-L168 HydrophobicContact CD2-CB 4.24Å; F156-L168 HydrophobicContact CE1-CB 3.47Å; F156-L168 VanDerWaalsContact CE1-CB 3.47Å; F156-L168 HydrophobicContact CE1-CD2 3.45Å; F156-L168 VanDerWaalsContact CE1-CD2 3.45Å; F156-L168 HydrophobicContact CE1-CG 4.08Å; F156-L168 HydrophobicContact CE2-CB 3.95Å; F156-L168 HydrophobicContact CG-CB 4.16Å; F156-L168 HydrophobicContact CZ-CB 3.56Å; F156-L168 HydrophobicContact CZ-CD2 4.2Å; F156-L168 HydrophobicContact CZ-CG 4.45Å; F156-L168 PolarHBondContact N-O 2.72Å; F156-L168 PolarHBondContact O-N 2.85Å; F156-F185 HydrophobicContact CE2-CD2 4.48Å; F156-F185 HydrophobicContact CE2-CE2 4.23Å; F156-F185 HydrophobicContact CZ-CD2 4.15Å; F156-F185 HydrophobicContact CZ-CE2 4.12Å
157E96.8Very high93.8Very high54 Ų5444.3 Ų44.325%0.25222%0.216SC..EExtended strand (participates in β ladder)trans-147.1146171.4-172.7166.8118.100110.6M48 L154 V165 S166M48-E157 WeakPolarHBondContact CA-O 3.23Å; M48-E157 HydrophobicContact CB-CB 4.18Å; M48-E157 WeakPolarHBondContact CB-O 3.11Å; M48-E157 HydrophobicContact CE-CB 3.8Å; M48-E157 HydrophobicContact CE-CG 3.63Å; M48-E157 WeakPolarHBondContact CE-OE1 3.37Å; M48-E157 PolarHBondContact N-O 2.98Å; M48-E157 PolarHBondContact O-N 2.88Å; L154-E157 HydrophobicContact CD2-CB 4.44Å; E157-V165 HydrophobicContact CG-CG2 4.17Å; E157-S166 CarbonylContact C-O 3.54Å; E157-S166 VanDerWaalsContact CA-O 3.28Å; E157-S166 WeakPolarHBondContact CA-O 3.45Å
158D94.5Very high94.1Very high5 Ų540.9 Ų40.93%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-145.1134.2177.8-164.9-83.1000109.3P46 E47 Y112 L160 V165 S166P46-D158 VanDerWaalsContact CA-OD2 3.31Å; P46-D158 WeakPolarHBondContact CA-OD2 3.37Å; P46-D158 HydrophobicContact CB-CB 4.09Å; E47-D158 PolarHBondContact N-OD2 3.26Å; Y112-D158 HydrophobicContact CD2-CB 4.25Å; Y112-D158 HydrophobicContact CE2-CB 4.03Å; D158-L160 VanDerWaalsContact C-N 3.27Å; D158-L160 VanDerWaalsContact OD1-CA 3.26Å; D158-L160 WeakPolarHBondContact OD1-CA 3.43Å; D158-L160 PolarHBondContact OD1-N 3.17Å; D158-V165 CarbonylContact O-C 3.5Å; D158-V165 WeakPolarHBondContact O-CA 3.45Å; D158-S166 PolarHBondContact N-O 2.89Å; D158-S166 PolarHBondContact O-N 3.4Å
159E91.9Very high94.3Very high86 Ų8636.4 Ų36.440%0.40218%0.183SC..  trans-884.7-179.5-63.9-171.6158.500112.9H161 D162 H163 G164E159-H161 PolarHBondContact O-N 3.05Å; E159-H161 VanDerWaalsContact O-N 3.13Å; E159-D162 PolarHBondContact O-N 2.87Å; E159-H163 PolarHBondContact O-N 3.19Å; E159-G164 CarbonylContact C-O 3.58Å; E159-G164 PolarHBondContact O-N 2.7Å; E159-G164 VanDerWaalsContact O-O 3.09Å
160L88.8Confident94.5Very high1 Ų136 Ų361%0.00518%0.181CC..THydrogen-bonded Turntrans56.330.7176.8-54.8179.1000112.9W91 W110 D158 H163 L187 I189W91-L160 PolarHBondContact NE1-O 2.83Å; W110-L160 HydrophobicContact CE3-CB 4.48Å; W110-L160 HydrophobicContact CE3-CD2 3.81Å; W110-L160 HydrophobicContact CZ3-CB 3.87Å; W110-L160 HydrophobicContact CZ3-CD1 3.88Å; W110-L160 HydrophobicContact CZ3-CD2 3.77Å; W110-L160 HydrophobicContact CZ3-CG 4.03Å; D158-L160 VanDerWaalsContact C-N 3.27Å; D158-L160 VanDerWaalsContact OD1-CA 3.26Å; D158-L160 WeakPolarHBondContact OD1-CA 3.43Å; D158-L160 PolarHBondContact OD1-N 3.17Å; L160-H163 WeakPolarHBondContact O-CB 3.47Å; L160-L187 HydrophobicContact CD1-CD1 3.73Å; L160-I189 HydrophobicContact CD1-CG1 4.15Å
161H84.1Confident94.6Very high70 Ų7034.1 Ų34.132%0.32417%0.172SC..THydrogen-bonded Turntrans59.952.4-171.2-54.960.6000112.4W91 R95 E159 H163W91-H161 AromaticContact CZ2-CE1 3.86Å; W91-H161 AromaticContact CZ2-ND1 3.49Å; W91-H161 WeakPolarHBondContact CZ2-ND1 3.35Å; R95-H161 PolarHBondContact NH2-CE1 2.98Å; R95-H161 PolarHBondContact NH2-NE2 2.8Å; E159-H161 PolarHBondContact O-N 3.05Å; E159-H161 VanDerWaalsContact O-N 3.13Å; H161-H163 PolarHBondContact O-CD2 3.23Å; H161-H163 PolarHBondContact O-N 3.14Å; H161-H163 VanDerWaalsContact O-N 3.15Å
162D86.8Confident94.6Very high138 Ų13833.5 Ų33.574%0.73817%0.17SC*.THydrogen-bonded Turntrans64.113.1-178.4-55.8-55.4000115E159E159-D162 PolarHBondContact O-N 2.87Å
163H86.8Confident94.5Very high94 Ų9433.8 Ų33.844%0.43517%0.167SC..THydrogen-bonded Turntrans-100.67.8178.9-68.5-72.1000113.9W91 E159 L160 H161 D190W91-H163 AromaticContact CD1-CD2 3.52Å; W91-H163 AromaticContact NE1-CD2 3.89Å; E159-H163 PolarHBondContact O-N 3.19Å; L160-H163 WeakPolarHBondContact O-CB 3.47Å; H161-H163 PolarHBondContact O-CD2 3.23Å; H161-H163 PolarHBondContact O-N 3.14Å; H161-H163 VanDerWaalsContact O-N 3.15Å; H163-D190 PolarHBondContact O-N 2.98Å
164G92Very high94.4Very high8 Ų833.8 Ų33.88%0.08217%0.167CC..EExtended strand (participates in β ladder)trans155.3-139.7173.200000112.9E159 R188E159-G164 CarbonylContact C-O 3.58Å; E159-G164 PolarHBondContact O-N 2.7Å; E159-G164 VanDerWaalsContact O-O 3.09Å; G164-R188 CarbonylContact C-O 3.58Å; G164-R188 VanDerWaalsContact CA-O 3.24Å; G164-R188 WeakPolarHBondContact CA-O 3.45Å
165V95Very high94.2Very high20 Ų2032 Ų3212%0.12116%0.158CC..EExtended strand (participates in β ladder)trans-152.2138.4175.561.50000110.4E157 D158 F186 L187 R188E157-V165 HydrophobicContact CG-CG2 4.17Å; D158-V165 CarbonylContact O-C 3.5Å; D158-V165 WeakPolarHBondContact O-CA 3.45Å; V165-F186 HydrophobicContact CG1-CD1 4.07Å; V165-F186 HydrophobicContact CG1-CE1 3.91Å; V165-L187 CarbonylContact O-C 3.49Å; V165-L187 WeakPolarHBondContact O-CA 3.27Å; V165-R188 HydrophobicContact CG1-CB 4.09Å; V165-R188 PolarHBondContact N-O 3.28Å; V165-R188 PolarHBondContact O-N 2.72Å
166S96.3Very high93.8Very high0 Ų035.3 Ų35.30%018%0.179CC..EExtended strand (participates in β ladder)trans-122.1116.7164.8-177.80000108.5T111 E157 D158 F185 F186T111-S166 WeakPolarHBondContact O-CB 3.34Å; T111-S166 PolarHBondContact O-OG 2.9Å; E157-S166 CarbonylContact C-O 3.54Å; E157-S166 VanDerWaalsContact CA-O 3.28Å; E157-S166 WeakPolarHBondContact CA-O 3.45Å; D158-S166 PolarHBondContact N-O 2.89Å; D158-S166 PolarHBondContact O-N 3.4Å; S166-F185 VanDerWaalsContact OG-CE2 3.27Å; S166-F185 WeakPolarHBondContact OG-CE2 3.35Å; S166-F186 WeakPolarHBondContact CA-O 2.78Å
167S97.6Very high93.4Very high18 Ų1837.7 Ų37.713%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-137.6145.5-17866.70000112.4F156 F185 F186F156-S167 WeakPolarHBondContact O-CA 3.44Å; S167-F185 CarbonylContact O-C 3.46Å; S167-F185 WeakPolarHBondContact O-CA 3.37Å; S167-F186 PolarHBondContact N-O 3.2Å; S167-F186 PolarHBondContact O-N 3.36Å
168L98.4Very high93.2Very high1 Ų135.7 Ų35.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-127.1119174.5-175.673.1000109.3A72 T114 L155 F156 L183 R184 F185A72-L168 HydrophobicContact CB-CD2 3.34Å; T114-L168 HydrophobicContact CG2-CD1 4.24Å; T114-L168 HydrophobicContact CG2-CD2 4.4Å; L155-L168 WeakPolarHBondContact CA-O 3.45Å; L155-L168 HydrophobicContact CB-CB 4.38Å; L155-L168 HydrophobicContact CB-CD2 4.1Å; L155-L168 HydrophobicContact CB-CG 4.25Å; L155-L168 WeakPolarHBondContact CB-O 3.3Å; L155-L168 HydrophobicContact CD1-CD2 3.72Å; L155-L168 HydrophobicContact CD1-CG 4.02Å; L155-L168 PolarHBondContact N-O 2.73Å; F156-L168 HydrophobicContact CD1-CB 3.77Å; F156-L168 HydrophobicContact CD1-CD2 3.95Å; F156-L168 HydrophobicContact CD2-CB 4.24Å; F156-L168 HydrophobicContact CE1-CB 3.47Å; F156-L168 VanDerWaalsContact CE1-CB 3.47Å; F156-L168 HydrophobicContact CE1-CD2 3.45Å; F156-L168 VanDerWaalsContact CE1-CD2 3.45Å; F156-L168 HydrophobicContact CE1-CG 4.08Å; F156-L168 HydrophobicContact CE2-CB 3.95Å; F156-L168 HydrophobicContact CG-CB 4.16Å; F156-L168 HydrophobicContact CZ-CB 3.56Å; F156-L168 HydrophobicContact CZ-CD2 4.2Å; F156-L168 HydrophobicContact CZ-CG 4.45Å; F156-L168 PolarHBondContact N-O 2.72Å; F156-L168 PolarHBondContact O-N 2.85Å; L168-L183 HydrophobicContact CD1-CD1 3.76Å; L168-L183 HydrophobicContact CD1-CG 4.08Å; L168-L183 HydrophobicContact CD2-CD1 4.38Å; L168-L183 HydrophobicContact CG-CD1 4.01Å; L168-R184 WeakPolarHBondContact CA-O 3.42Å; L168-F185 HydrophobicContact CD1-CB 3.76Å; L168-F185 HydrophobicContact CD1-CD2 4.44Å
169S98.1Very high93.2Very high24 Ų2435.5 Ų35.517%0.16819%0.187CC..EExtended strand (participates in β ladder)trans-133.7154175.470.90000111.8V153 L183 R184V153-S169 WeakPolarHBondContact O-CA 3.36Å; S169-L183 WeakPolarHBondContact O-CA 3.2Å; S169-R184 PolarHBondContact N-O 3.5Å; S169-R184 PolarHBondContact O-N 2.75Å
170V98.4Very high93.4Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-128.4133.2177.264.90000110.2L55 F67 E152 V153 L155 L181 L182 L183L55-V170 HydrophobicContact CB-CG1 3.61Å; L55-V170 HydrophobicContact CD2-CB 4.35Å; L55-V170 HydrophobicContact CD2-CG1 3.9Å; L55-V170 HydrophobicContact CD2-CG2 3.66Å; L55-V170 HydrophobicContact CG-CG1 4.42Å; F67-V170 HydrophobicContact CB-CB 4.31Å; F67-V170 HydrophobicContact CB-CG1 4.07Å; F67-V170 HydrophobicContact CB-CG2 4.19Å; F67-V170 HydrophobicContact CD1-CG2 4.4Å; F67-V170 HydrophobicContact CD2-CG2 4.11Å; F67-V170 HydrophobicContact CG-CG2 3.96Å; E152-V170 CarbonylContact C-O 3.53Å; E152-V170 WeakPolarHBondContact CA-O 3.38Å; V153-V170 HydrophobicContact CB-CG1 3.99Å; V153-V170 PolarHBondContact N-O 3.43Å; V153-V170 PolarHBondContact O-N 3.44Å; L155-V170 HydrophobicContact CD1-CG1 4.39Å; L155-V170 HydrophobicContact CD2-CG1 4.41Å; L155-V170 HydrophobicContact CG-CG1 4.42Å; V170-L181 HydrophobicContact CG2-CD1 3.9Å; V170-L181 HydrophobicContact CG2-CD2 3.75Å; V170-L181 HydrophobicContact CG2-CG 3.8Å; V170-L182 WeakPolarHBondContact CA-O 3.28Å; V170-L183 HydrophobicContact CB-CB 4.45Å; V170-L183 HydrophobicContact CB-CD1 3.85Å; V170-L183 HydrophobicContact CG2-CB 4.15Å; V170-L183 HydrophobicContact CG2-CD1 4.33Å
171K97.3Very high93.9Very high52 Ų5233 Ų3323%0.22617%0.174CC..EExtended strand (participates in β ladder)trans-134.2149.3176.463.4-173.2170.2-165.10112.3F150 E151 E152 L181 L182F150-K171 HydrophobicContact CE2-CB 4.34Å; F150-K171 HydrophobicContact CE2-CD 4.5Å; E151-K171 CarbonylContact O-C 3.55Å; E151-K171 WeakPolarHBondContact O-CA 3.5Å; E151-K171 WeakPolarHBondContact O-CB 3.41Å; E152-K171 HydrophobicContact CB-CB 3.87Å; E152-K171 HydrophobicContact CG-CB 4.04Å; K171-L181 CarbonylContact O-C 3.59Å; K171-L181 VanDerWaalsContact O-CA 3.24Å; K171-L181 WeakPolarHBondContact O-CA 3.41Å; K171-L182 HydrophobicContact CG-CB 4.28Å; K171-L182 PolarHBondContact N-O 3.05Å; K171-L182 PolarHBondContact O-N 2.69Å
172I97.2Very high94.5Very high1 Ų130.2 Ų30.21%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-133.6141.6-178.4-175.8156.6000111.3L20 L55 I57 F149 F150 E151 V174 F179 F180 L181L20-I172 HydrophobicContact CD2-CD1 3.58Å; L20-I172 HydrophobicContact CD2-CG1 4.13Å; L20-I172 HydrophobicContact CD2-CG2 3.91Å; L20-I172 HydrophobicContact CG-CD1 4.35Å; L55-I172 HydrophobicContact CD1-CG2 3.98Å; L55-I172 HydrophobicContact CD2-CB 4.02Å; L55-I172 HydrophobicContact CD2-CG2 3.79Å; L55-I172 HydrophobicContact CG-CG2 4.45Å; I57-I172 HydrophobicContact CD1-CD1 3.64Å; I57-I172 HydrophobicContact CG1-CD1 4.11Å; F149-I172 HydrophobicContact CD1-CG2 4.45Å; F149-I172 HydrophobicContact CE1-CG2 4.18Å; F150-I172 WeakPolarHBondContact CA-O 3.3Å; F150-I172 VanDerWaalsContact CD2-O 3.3Å; F150-I172 WeakPolarHBondContact CD2-O 3.33Å; E151-I172 HydrophobicContact CB-CG2 4.22Å; E151-I172 PolarHBondContact N-O 3.37Å; E151-I172 VanDerWaalsContact N-O 3.14Å; E151-I172 PolarHBondContact O-N 3.18Å; I172-V174 HydrophobicContact CD1-CG2 4.36Å; I172-V174 HydrophobicContact CG1-CG2 4.15Å; I172-F179 HydrophobicContact CD1-CB 4.5Å; I172-F179 HydrophobicContact CD1-CD2 4.1Å; I172-F179 HydrophobicContact CD1-CG 4.49Å; I172-F180 CarbonylContact C-O 3.53Å; I172-F180 WeakPolarHBondContact CA-O 3.4Å; I172-L181 HydrophobicContact CB-CB 4.24Å; I172-L181 HydrophobicContact CB-CD1 4.4Å; I172-L181 HydrophobicContact CB-CG 4.48Å; I172-L181 HydrophobicContact CD1-CB 4.23Å; I172-L181 HydrophobicContact CD1-CD1 4.23Å; I172-L181 HydrophobicContact CG1-CB 4.25Å
173R95.3Very high95.1Very high85 Ų8523.8 Ų23.832%0.32113%0.128SC..EExtended strand (participates in β ladder)trans-120.6124.8168.3-66.6171.665-162.6-8.7108.5I147 F149 F150 M175 F179 F180I147-R173 VanDerWaalsContact CD1-NE 3.33Å; I147-R173 HydrophobicContact CG2-CB 4.48Å; F149-R173 WeakPolarHBondContact O-CA 3.48Å; F150-R173 HydrophobicContact CD2-CG 3.59Å; F150-R173 HydrophobicContact CE2-CG 4.13Å; R173-M175 HydrophobicContact CB-CE 3.49Å; R173-M175 VanDerWaalsContact CB-CE 3.49Å; R173-M175 HydrophobicContact CB-SD 4.18Å; R173-M175 HydrophobicContact CG-CE 4.42Å; R173-F179 CarbonylContact O-C 3.51Å; R173-F179 VanDerWaalsContact O-CA 3.3Å; R173-F179 WeakPolarHBondContact O-CA 3.35Å; R173-F180 PolarHBondContact N-O 3.29Å; R173-F180 PolarHBondContact O-N 3.02Å
174V94.8Very high95.6Very high0 Ų020.4 Ų20.40%011%0.111CC..EExtended strand (participates in β ladder)trans-108.3126.5175.6-172.40000109.5F13 F15 L20 K148 F149 I172 F179F13-V174 HydrophobicContact CE1-CB 4.27Å; F13-V174 HydrophobicContact CE1-CG1 4.01Å; F15-V174 HydrophobicContact CB-CG1 4.47Å; F15-V174 HydrophobicContact CD1-CG1 4.06Å; F15-V174 HydrophobicContact CD2-CG1 4.01Å; F15-V174 HydrophobicContact CE1-CG1 4.37Å; F15-V174 HydrophobicContact CE2-CG1 4.3Å; F15-V174 HydrophobicContact CG-CG1 3.89Å; F15-V174 HydrophobicContact CZ-CG1 4.49Å; L20-V174 HydrophobicContact CD1-CG2 4.27Å; L20-V174 HydrophobicContact CD2-CG2 3.67Å; K148-V174 PolarHBondContact N-O 2.82Å; F149-V174 HydrophobicContact CB-CB 4.03Å; F149-V174 HydrophobicContact CB-CG2 4.13Å; F149-V174 HydrophobicContact CD1-CG2 4.09Å; F149-V174 PolarHBondContact N-O 3.4Å; F149-V174 PolarHBondContact O-N 2.6Å; I172-V174 HydrophobicContact CD1-CG2 4.36Å; I172-V174 HydrophobicContact CG1-CG2 4.15Å; V174-F179 HydrophobicContact CB-CB 4.44Å; V174-F179 HydrophobicContact CG1-CB 4.39Å; V174-F179 HydrophobicContact CG2-CB 4.16Å
175M92.8Very high95.9Very high16 Ų1620.1 Ų20.18%0.07911%0.108CC..  trans-107.8169.8178.7-39-40.8-170.900109E145 I147 R173 S177 S178E145-M175 HydrophobicContact CB-CB 4.09Å; E145-M175 HydrophobicContact CB-CG 4.44Å; E145-M175 WeakPolarHBondContact OE2-CB 3.02Å; I147-M175 HydrophobicContact CB-SD 4.4Å; I147-M175 HydrophobicContact CG1-CE 4.28Å; I147-M175 HydrophobicContact CG1-SD 4.04Å; I147-M175 HydrophobicContact CG2-SD 4.49Å; R173-M175 HydrophobicContact CB-CE 3.49Å; R173-M175 VanDerWaalsContact CB-CE 3.49Å; R173-M175 HydrophobicContact CB-SD 4.18Å; R173-M175 HydrophobicContact CG-CE 4.42Å; M175-S177 PolarHBondContact O-N 2.83Å; M175-S178 WeakPolarHBondContact CA-O 3.37Å; M175-S178 WeakPolarHBondContact CB-O 3.29Å; M175-S178 PolarHBondContact N-O 2.93Å
176P89.8Confident96.1Very high69 Ų6919.5 Ų19.545%0.44810%0.103SC..SBendtrans-52.6-39.6173.6-23.826.1000114.7E145 Q146E145-P176 VanDerWaalsContact OE2-CD 3.31Å; E145-P176 WeakPolarHBondContact OE2-CD 3.48Å; Q146-P176 WeakPolarHBondContact O-CD 3.36Å
177S89.3Confident96.1Very high50 Ų5019.6 Ų19.635%0.3510%0.103SC..SBendtrans-109-12.9-169.966.90000114.3E145 M175 A205E145-S177 PolarHBondContact OE1-OG 2.73Å; E145-S177 PolarHBondContact OE2-OG 2.82Å; E145-S177 VanDerWaalsContact OE2-OG 3.05Å; M175-S177 PolarHBondContact O-N 2.83Å; S177-A205 WeakPolarHBondContact O-CB 3.34Å; S177-A205 PolarHBondContact O-N 3.08Å
178S92.6Very high96Very high11 Ų1120.5 Ų20.58%0.07710%0.104CC..EExtended strand (participates in β ladder)trans-158.6169.4-168.858.40000112M175 H203M175-S178 WeakPolarHBondContact CA-O 3.37Å; M175-S178 WeakPolarHBondContact CB-O 3.29Å; M175-S178 PolarHBondContact N-O 2.93Å; S178-H203 CarbonylContact C-O 3.56Å; S178-H203 WeakPolarHBondContact CA-O 3.32Å; S178-H203 WeakPolarHBondContact CB-O 3.43Å
179F94.8Very high95.7Very high1 Ų120.7 Ų20.70%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-136.2154.5164.166.2-100.7000111.2F15 I57 I172 R173 V174 L201 Y202 H203 M210F15-F179 HydrophobicContact CE1-CD1 4.4Å; F15-F179 AromaticContact CE2-CD1 3.91Å; F15-F179 HydrophobicContact CE2-CD1 3.91Å; F15-F179 HydrophobicContact CE2-CE1 4.46Å; F15-F179 AromaticContact CZ-CD1 3.39Å; F15-F179 HydrophobicContact CZ-CD1 3.39Å; F15-F179 AromaticContact CZ-CE1 3.78Å; F15-F179 HydrophobicContact CZ-CE1 3.78Å; F15-F179 HydrophobicContact CZ-CG 4.36Å; I57-F179 HydrophobicContact CD1-CD2 4.38Å; I57-F179 HydrophobicContact CD1-CE2 3.84Å; I57-F179 HydrophobicContact CD1-CZ 4.25Å; I57-F179 HydrophobicContact CG2-CZ 4.3Å; I172-F179 HydrophobicContact CD1-CB 4.5Å; I172-F179 HydrophobicContact CD1-CD2 4.1Å; I172-F179 HydrophobicContact CD1-CG 4.49Å; R173-F179 CarbonylContact O-C 3.51Å; R173-F179 VanDerWaalsContact O-CA 3.3Å; R173-F179 WeakPolarHBondContact O-CA 3.35Å; V174-F179 HydrophobicContact CB-CB 4.44Å; V174-F179 HydrophobicContact CG1-CB 4.39Å; V174-F179 HydrophobicContact CG2-CB 4.16Å; F179-L201 HydrophobicContact CE2-CD2 4.23Å; F179-L201 HydrophobicContact CE2-CG 4.43Å; F179-Y202 WeakPolarHBondContact O-CD2 3.36Å; F179-H203 HydrophobicContact CD1-CB 3.99Å; F179-H203 AromaticContact CD1-CD2 3.83Å; F179-H203 HydrophobicContact CD2-CB 4.46Å; F179-H203 HydrophobicContact CE1-CB 3.46Å; F179-H203 VanDerWaalsContact CE1-CB 3.46Å; F179-H203 AromaticContact CE1-CD2 3.31Å; F179-H203 WeakPolarHBondContact CE1-CD2 3.28Å; F179-H203 AromaticContact CE1-CG 3.68Å; F179-H203 HydrophobicContact CE2-CB 3.94Å; F179-H203 HydrophobicContact CG-CB 4.49Å; F179-H203 HydrophobicContact CZ-CB 3.42Å; F179-H203 VanDerWaalsContact CZ-CB 3.42Å; F179-H203 PolarHBondContact N-O 3.25Å; F179-H203 PolarHBondContact O-N 2.94Å; F179-M210 HydrophobicContact CE1-CE 4.4Å; F179-M210 HydrophobicContact CE2-SD 4.36Å; F179-M210 HydrophobicContact CZ-CE 3.72Å; F179-M210 HydrophobicContact CZ-SD 3.8Å
180F96.2Very high95.3Very high34 Ų3423.4 Ų23.415%0.14912%0.118CC..EExtended strand (participates in β ladder)trans-131.9128.2175.6178.8-100.8000110I136 L141 I172 R173 L182 R200 L201 Y202I136-F180 HydrophobicContact CG2-CE2 4.36Å; L141-F180 HydrophobicContact CD1-CD2 3.59Å; L141-F180 HydrophobicContact CD1-CE1 4.48Å; L141-F180 HydrophobicContact CD1-CE2 3.51Å; L141-F180 HydrophobicContact CD1-CG 4.11Å; L141-F180 HydrophobicContact CD1-CZ 3.98Å; L141-F180 HydrophobicContact CD2-CB 3.74Å; L141-F180 HydrophobicContact CD2-CD2 3.72Å; L141-F180 HydrophobicContact CD2-CG 3.76Å; L141-F180 HydrophobicContact CG-CD2 4.33Å; I172-F180 CarbonylContact C-O 3.53Å; I172-F180 WeakPolarHBondContact CA-O 3.4Å; R173-F180 PolarHBondContact N-O 3.29Å; R173-F180 PolarHBondContact O-N 3.02Å; F180-L182 HydrophobicContact CE1-CB 4.18Å; F180-R200 HydrophobicContact CE2-CB 4.04Å; F180-R200 HydrophobicContact CE2-CG 4.23Å; F180-R200 HydrophobicContact CZ-CB 4.25Å; F180-R200 HydrophobicContact CZ-CG 3.97Å; F180-L201 CarbonylContact C-O 3.56Å; F180-L201 WeakPolarHBondContact CA-O 3.21Å; F180-Y202 HydrophobicContact CB-CD2 4.26Å; F180-Y202 HydrophobicContact CD2-CD2 4.23Å
181L97.8Very high94.7Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-121.4142176.6174.4158.3000110.3L55 I57 F67 V170 K171 I172 L183 R200 L201L55-L181 HydrophobicContact CD2-CD1 3.67Å; L55-L181 HydrophobicContact CD2-CG 4.44Å; I57-L181 HydrophobicContact CD1-CD1 3.84Å; F67-L181 HydrophobicContact CD2-CD1 3.85Å; F67-L181 HydrophobicContact CD2-CD2 4.41Å; F67-L181 HydrophobicContact CE1-CD2 4.1Å; F67-L181 HydrophobicContact CE2-CD1 3.39Å; F67-L181 HydrophobicContact CE2-CD2 3.73Å; F67-L181 HydrophobicContact CE2-CG 4.25Å; F67-L181 HydrophobicContact CZ-CD1 4.08Å; F67-L181 HydrophobicContact CZ-CD2 3.53Å; V170-L181 HydrophobicContact CG2-CD1 3.9Å; V170-L181 HydrophobicContact CG2-CD2 3.75Å; V170-L181 HydrophobicContact CG2-CG 3.8Å; K171-L181 CarbonylContact O-C 3.59Å; K171-L181 VanDerWaalsContact O-CA 3.24Å; K171-L181 WeakPolarHBondContact O-CA 3.41Å; I172-L181 HydrophobicContact CB-CB 4.24Å; I172-L181 HydrophobicContact CB-CD1 4.4Å; I172-L181 HydrophobicContact CB-CG 4.48Å; I172-L181 HydrophobicContact CD1-CB 4.23Å; I172-L181 HydrophobicContact CD1-CD1 4.23Å; I172-L181 HydrophobicContact CG1-CB 4.25Å; L181-L183 HydrophobicContact CD2-CB 4.48Å; L181-R200 CarbonylContact O-C 3.59Å; L181-R200 WeakPolarHBondContact O-CA 3.41Å; L181-L201 HydrophobicContact CB-CB 4.21Å; L181-L201 HydrophobicContact CD2-CB 4.16Å; L181-L201 PolarHBondContact N-O 3.2Å; L181-L201 PolarHBondContact O-N 3.12Å
182L97.9Very high94.4Very high13 Ų1325.6 Ų25.67%0.06815%0.148CC..EExtended strand (participates in β ladder)trans-128.3112.7172.9173.762.4000108.6V170 K171 F180 R184 D198 R200V170-L182 WeakPolarHBondContact CA-O 3.28Å; K171-L182 HydrophobicContact CG-CB 4.28Å; K171-L182 PolarHBondContact N-O 3.05Å; K171-L182 PolarHBondContact O-N 2.69Å; F180-L182 HydrophobicContact CE1-CB 4.18Å; L182-R184 HydrophobicContact CG-CB 4.42Å; L182-D198 HydrophobicContact CD1-CB 3.89Å; L182-R200 HydrophobicContact CD1-CG 3.92Å
183L98.6Very high94.2Very high3 Ų326.1 Ų26.12%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-89.8127.2159.8173.579.7000107.2F67 Y116 L155 L168 S169 V170 L181 D198 T199F67-L183 HydrophobicContact CD1-CB 4.14Å; F67-L183 HydrophobicContact CD1-CD1 4.11Å; F67-L183 HydrophobicContact CD1-CD2 3.91Å; F67-L183 HydrophobicContact CD1-CG 4.28Å; F67-L183 HydrophobicContact CE1-CB 4.15Å; F67-L183 HydrophobicContact CE1-CD2 4.14Å; Y116-L183 HydrophobicContact CD1-CD2 3.75Å; Y116-L183 HydrophobicContact CE1-CD2 4.35Å; Y116-L183 VanDerWaalsContact O-CD2 3.23Å; Y116-L183 WeakPolarHBondContact O-CD2 3.43Å; L155-L183 HydrophobicContact CD1-CD1 3.93Å; L168-L183 HydrophobicContact CD1-CD1 3.76Å; L168-L183 HydrophobicContact CD1-CG 4.08Å; L168-L183 HydrophobicContact CD2-CD1 4.38Å; L168-L183 HydrophobicContact CG-CD1 4.01Å; S169-L183 WeakPolarHBondContact O-CA 3.2Å; V170-L183 HydrophobicContact CB-CB 4.45Å; V170-L183 HydrophobicContact CB-CD1 3.85Å; V170-L183 HydrophobicContact CG2-CB 4.15Å; V170-L183 HydrophobicContact CG2-CD1 4.33Å; L181-L183 HydrophobicContact CD2-CB 4.48Å; L183-D198 CarbonylContact O-C 3.57Å; L183-D198 WeakPolarHBondContact O-CA 3.43Å; L183-T199 PolarHBondContact N-O 3.06Å; L183-T199 PolarHBondContact O-N 3.16Å
184R98.4Very high94.2Very high23 Ų2322.1 Ų22.19%0.08714%0.136CC..EExtended strand (participates in β ladder)trans-129.1120.5179.4172.8167.3-69.9169.8-3.3110L168 S169 L182 F186 M196 D198 N236L168-R184 WeakPolarHBondContact CA-O 3.42Å; S169-R184 PolarHBondContact N-O 3.5Å; S169-R184 PolarHBondContact O-N 2.75Å; L182-R184 HydrophobicContact CG-CB 4.42Å; R184-F186 HydrophobicContact CG-CB 4.41Å; R184-M196 HydrophobicContact CG-CG 4.08Å; R184-M196 HydrophobicContact CG-SD 4.42Å; R184-M196 PolarHBondContact NE-SD 2.84Å; R184-M196 VanDerWaalsContact NE-SD 3.36Å; R184-D198 WeakPolarHBondContact CG-OD1 3.34Å; R184-D198 IonicContact CZ-OD1 3.58Å; R184-D198 IonicContact CZ-OD2 2.65Å; R184-D198 IonicContact NE-OD1 3.1Å; R184-D198 PolarHBondContact NE-OD1 3.1Å; R184-D198 IonicContact NE-OD2 3.6Å; R184-D198 IonicContact NH2-OD1 3.53Å; R184-D198 PolarHBondContact NH2-OD1 3.18Å; R184-D198 IonicContact NH2-OD2 2.71Å; R184-D198 PolarHBondContact NH2-OD2 3.07Å; R184-N236 PolarHBondContact NH1-OD1 3.21Å
185F98.3Very high94.3Very high2 Ų223.5 Ų23.51%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-90.1128.2158.7175.9-104.6000108.5Y112 T113 T114 F156 S166 S167 L168 L187 M196 N197Y112-F185 WeakPolarHBondContact O-CE2 3.45Å; T113-F185 VanDerWaalsContact CA-CZ 3.5Å; T113-F185 HydrophobicContact CG2-CE1 4.07Å; T114-F185 HydrophobicContact CG2-CB 4.35Å; T114-F185 HydrophobicContact CG2-CD2 3.95Å; T114-F185 HydrophobicContact CG2-CG 4.21Å; F156-F185 HydrophobicContact CE2-CD2 4.48Å; F156-F185 HydrophobicContact CE2-CE2 4.23Å; F156-F185 HydrophobicContact CZ-CD2 4.15Å; F156-F185 HydrophobicContact CZ-CE2 4.12Å; S166-F185 VanDerWaalsContact OG-CE2 3.27Å; S166-F185 WeakPolarHBondContact OG-CE2 3.35Å; S167-F185 CarbonylContact O-C 3.46Å; S167-F185 WeakPolarHBondContact O-CA 3.37Å; L168-F185 HydrophobicContact CD1-CB 3.76Å; L168-F185 HydrophobicContact CD1-CD2 4.44Å; F185-L187 HydrophobicContact CE1-CB 3.63Å; F185-L187 HydrophobicContact CE1-CD2 4.46Å; F185-L187 HydrophobicContact CZ-CB 3.77Å; F185-M196 CarbonylContact O-C 3.55Å; F185-M196 VanDerWaalsContact O-CA 3.29Å; F185-M196 WeakPolarHBondContact O-CA 3.35Å; F185-M196 WeakPolarHBondContact O-CG 3.39Å; F185-N197 HydrophobicContact CB-CB 4.07Å; F185-N197 HydrophobicContact CD1-CB 4.37Å; F185-N197 PolarHBondContact N-O 2.56Å; F185-N197 PolarHBondContact O-N 3.33Å
186F98.1Very high94.5Very high7 Ų722.8 Ų22.83%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-126.7124.5177-178.9-102.1000109.6V165 S166 S167 R184 R188 I194 M196 F232 P235 I238V165-F186 HydrophobicContact CG1-CD1 4.07Å; V165-F186 HydrophobicContact CG1-CE1 3.91Å; S166-F186 WeakPolarHBondContact CA-O 2.78Å; S167-F186 PolarHBondContact N-O 3.2Å; S167-F186 PolarHBondContact O-N 3.36Å; R184-F186 HydrophobicContact CG-CB 4.41Å; F186-R188 HydrophobicContact CE1-CB 4.04Å; F186-R188 HydrophobicContact CZ-CB 4.24Å; F186-I194 HydrophobicContact CE2-CG2 3.73Å; F186-I194 HydrophobicContact CZ-CG2 4.11Å; F186-M196 HydrophobicContact CD2-CG 4.33Å; F186-F232 WeakPolarHBondContact CZ-O 3.24Å; F186-P235 HydrophobicContact CB-CG 4.46Å; F186-P235 HydrophobicContact CD1-CG 4.01Å; F186-P235 HydrophobicContact CD2-CB 3.78Å; F186-P235 HydrophobicContact CD2-CG 3.86Å; F186-P235 HydrophobicContact CE1-CG 4.19Å; F186-P235 HydrophobicContact CE2-CB 4.07Å; F186-P235 HydrophobicContact CE2-CG 4.04Å; F186-P235 HydrophobicContact CG-CB 4.17Å; F186-P235 HydrophobicContact CG-CG 3.83Å; F186-P235 HydrophobicContact CZ-CG 4.2Å; F186-I238 HydrophobicContact CE2-CG2 3.95Å
187L96.6Very high94.9Very high1 Ų119.9 Ų19.91%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-125.1124.7177.4171.568000108.9T111 L160 V165 F185 I189 L193 I194 R195T111-L187 HydrophobicContact CG2-CD1 4.39Å; T111-L187 HydrophobicContact CG2-CD2 4.12Å; L160-L187 HydrophobicContact CD1-CD1 3.73Å; V165-L187 CarbonylContact O-C 3.49Å; V165-L187 WeakPolarHBondContact O-CA 3.27Å; F185-L187 HydrophobicContact CE1-CB 3.63Å; F185-L187 HydrophobicContact CE1-CD2 4.46Å; F185-L187 HydrophobicContact CZ-CB 3.77Å; L187-I189 HydrophobicContact CD1-CG1 4.08Å; L187-I189 HydrophobicContact CG-CG1 4.37Å; L187-L193 HydrophobicContact CD2-CD1 4.21Å; L187-I194 CarbonylContact O-C 3.55Å; L187-I194 WeakPolarHBondContact O-CA 3.37Å; L187-R195 HydrophobicContact CB-CB 4.2Å; L187-R195 HydrophobicContact CD2-CB 4.26Å; L187-R195 PolarHBondContact N-O 2.74Å; L187-R195 PolarHBondContact O-N 3.01Å; L187-R195 VanDerWaalsContact O-O 3.14Å
188R95.3Very high95.3Very high38 Ų3817.5 Ų17.514%0.14310%0.102CC..EExtended strand (participates in β ladder)trans-123.9126.6166.7179.5-177.980.7-115.4-5.1107.5G164 V165 F186 D190 I194 F232G164-R188 CarbonylContact C-O 3.58Å; G164-R188 VanDerWaalsContact CA-O 3.24Å; G164-R188 WeakPolarHBondContact CA-O 3.45Å; V165-R188 HydrophobicContact CG1-CB 4.09Å; V165-R188 PolarHBondContact N-O 3.28Å; V165-R188 PolarHBondContact O-N 2.72Å; F186-R188 HydrophobicContact CE1-CB 4.04Å; F186-R188 HydrophobicContact CZ-CB 4.24Å; R188-D190 WeakPolarHBondContact CD-OD1 3.21Å; R188-D190 IonicContact CZ-OD1 3.7Å; R188-D190 IonicContact NE-OD1 2.88Å; R188-D190 PolarHBondContact NE-OD1 2.84Å; R188-D190 IonicContact NH2-OD1 3.67Å; R188-I194 HydrophobicContact CB-CG1 4.46Å; R188-I194 HydrophobicContact CG-CG1 4.1Å; R188-F232 WeakPolarHBondContact CD-O 3.41Å
189I92.4Very high95.6Very high5 Ų517.1 Ų17.13%0.02610%0.099CC..EExtended strand (participates in β ladder)trans-110.3116.6166-57173.3000105.8W110 T111 L160 L187 G191 V192 L193 I221W110-I189 HydrophobicContact CH2-CD1 3.79Å; W110-I189 HydrophobicContact CH2-CG1 4.17Å; W110-I189 HydrophobicContact CH2-CG2 4.34Å; W110-I189 HydrophobicContact CZ2-CD1 4.24Å; T111-I189 HydrophobicContact CG2-CD1 3.92Å; L160-I189 HydrophobicContact CD1-CG1 4.15Å; L187-I189 HydrophobicContact CD1-CG1 4.08Å; L187-I189 HydrophobicContact CG-CG1 4.37Å; I189-G191 PolarHBondContact O-N 3.37Å; I189-V192 HydrophobicContact CB-CB 3.94Å; I189-V192 HydrophobicContact CB-CG2 4.47Å; I189-V192 HydrophobicContact CG2-CB 3.7Å; I189-V192 HydrophobicContact CG2-CG1 4.39Å; I189-V192 HydrophobicContact CG2-CG2 3.67Å; I189-V192 PolarHBondContact O-N 2.82Å; I189-L193 HydrophobicContact CD1-CD1 4.38Å; I189-L193 HydrophobicContact CD1-CG 4.31Å; I189-L193 PolarHBondContact N-O 2.98Å; I189-L193 PolarHBondContact O-N 3.17Å; I189-I221 WeakPolarHBondContact O-CD1 3.47Å
190D88.9Confident95.7Very high81 Ų8119.2 Ų19.243%0.43311%0.107SC..THydrogen-bonded Turntrans-60.3132.6-170.8-71.4-17.3000111.1H163 R188 V192H163-D190 PolarHBondContact O-N 2.98Å; R188-D190 WeakPolarHBondContact CD-OD1 3.21Å; R188-D190 IonicContact CZ-OD1 3.7Å; R188-D190 IonicContact NE-OD1 2.88Å; R188-D190 PolarHBondContact NE-OD1 2.84Å; R188-D190 IonicContact NH2-OD1 3.67Å; D190-V192 PolarHBondContact O-N 3.33Å
191G87.6Confident95.8Very high65 Ų6517.6 Ų17.667%0.6710%0.1SC*.THydrogen-bonded Turntrans71.1-11.6-174.100000116.1I189I189-G191 PolarHBondContact O-N 3.37Å
192V89.7Confident95.8Very high32 Ų3218.3 Ų18.319%0.19410%0.103CC..THydrogen-bonded Turntrans-105-71.5-173.1179.80000112.7V85 I189 D190 K220 I221V85-V192 HydrophobicContact CG1-CB 4.36Å; V85-V192 HydrophobicContact CG1-CG1 3.39Å; V85-V192 HydrophobicContact CG1-CG2 4.11Å; I189-V192 HydrophobicContact CB-CB 3.94Å; I189-V192 HydrophobicContact CB-CG2 4.47Å; I189-V192 HydrophobicContact CG2-CB 3.7Å; I189-V192 HydrophobicContact CG2-CG1 4.39Å; I189-V192 HydrophobicContact CG2-CG2 3.67Å; I189-V192 PolarHBondContact O-N 2.82Å; D190-V192 PolarHBondContact O-N 3.33Å; V192-K220 CarbonylContact O-C 3.59Å; V192-K220 WeakPolarHBondContact O-CA 3.41Å; V192-I221 PolarHBondContact O-N 2.72Å
193L93.3Very high95.6Very high13 Ų1318 Ų187%0.06810%0.101CC..EExtended strand (participates in β ladder)trans-155.8160.3-171.26782000112.8L187 I189 R195 S219L187-L193 HydrophobicContact CD2-CD1 4.21Å; I189-L193 HydrophobicContact CD1-CD1 4.38Å; I189-L193 HydrophobicContact CD1-CG 4.31Å; I189-L193 PolarHBondContact N-O 2.98Å; I189-L193 PolarHBondContact O-N 3.17Å; L193-R195 HydrophobicContact CD1-CB 4.15Å; L193-S219 WeakPolarHBondContact CA-O 3.39Å; L193-S219 WeakPolarHBondContact CB-O 3.2Å
194I95.5Very high95.4Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-124.5128.5168.1-58.6178.6000107.5F186 L187 R188 E218 S219 I221 L224 F232 I238 L242F186-I194 HydrophobicContact CE2-CG2 3.73Å; F186-I194 HydrophobicContact CZ-CG2 4.11Å; L187-I194 CarbonylContact O-C 3.55Å; L187-I194 WeakPolarHBondContact O-CA 3.37Å; R188-I194 HydrophobicContact CB-CG1 4.46Å; R188-I194 HydrophobicContact CG-CG1 4.1Å; I194-E218 WeakPolarHBondContact O-CA 3.43Å; I194-S219 PolarHBondContact N-O 2.95Å; I194-S219 PolarHBondContact O-N 3.45Å; I194-I221 HydrophobicContact CD1-CG1 4.48Å; I194-I221 HydrophobicContact CG1-CD1 4.38Å; I194-I221 HydrophobicContact CG1-CG1 4.12Å; I194-L224 HydrophobicContact CD1-CD1 3.95Å; I194-L224 HydrophobicContact CG1-CD1 4.4Å; I194-F232 HydrophobicContact CD1-CB 3.87Å; I194-F232 HydrophobicContact CD1-CD1 3.79Å; I194-F232 HydrophobicContact CD1-CG 3.85Å; I194-I238 HydrophobicContact CD1-CD1 4.48Å; I194-I238 HydrophobicContact CD1-CG1 3.92Å; I194-I238 HydrophobicContact CG2-CG2 4.49Å; I194-L242 HydrophobicContact CB-CD2 4.03Å; I194-L242 HydrophobicContact CG2-CD1 3.77Å; I194-L242 HydrophobicContact CG2-CD2 4.13Å
195R96.1Very high94.9Very high30 Ų3022 Ų2211%0.11313%0.134CC..EExtended strand (participates in β ladder)trans-126.1143176177.9-174.9-66.6161.4-4.1109.4T113 L187 L193 R217 E218T113-R195 PolarHBondContact OG1-NH1 3.08Å; L187-R195 HydrophobicContact CB-CB 4.2Å; L187-R195 HydrophobicContact CD2-CB 4.26Å; L187-R195 PolarHBondContact N-O 2.74Å; L187-R195 PolarHBondContact O-N 3.01Å; L187-R195 VanDerWaalsContact O-O 3.14Å; L193-R195 HydrophobicContact CD1-CB 4.15Å; R195-R217 CarbonylContact C-O 3.52Å; R195-R217 VanDerWaalsContact CA-O 3.32Å; R195-R217 WeakPolarHBondContact CA-O 3.39Å; R195-E218 HydrophobicContact CB-CB 4.45Å; R195-E218 HydrophobicContact CB-CG 4.31Å; R195-E218 HydrophobicContact CG-CB 4.46Å; R195-E218 IonicContact CZ-OE2 3.09Å; R195-E218 IonicContact NE-OE2 3.5Å; R195-E218 PolarHBondContact NE-OE2 3.47Å; R195-E218 IonicContact NH2-OE2 2.69Å; R195-E218 PolarHBondContact NH2-OE2 3.4Å
196M97.4Very high94.4Very high1 Ų127.4 Ų27.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-144.5123.4178.6-166.8-179.966.700110.3R184 F185 F186 D198 R217 S239 L242R184-M196 HydrophobicContact CG-CG 4.08Å; R184-M196 HydrophobicContact CG-SD 4.42Å; R184-M196 PolarHBondContact NE-SD 2.84Å; R184-M196 VanDerWaalsContact NE-SD 3.36Å; F185-M196 CarbonylContact O-C 3.55Å; F185-M196 VanDerWaalsContact O-CA 3.29Å; F185-M196 WeakPolarHBondContact O-CA 3.35Å; F185-M196 WeakPolarHBondContact O-CG 3.39Å; F186-M196 HydrophobicContact CD2-CG 4.33Å; M196-D198 WeakPolarHBondContact CE-OD2 3.28Å; M196-R217 PolarHBondContact N-O 2.75Å; M196-R217 PolarHBondContact O-N 3.04Å; M196-S239 WeakPolarHBondContact CE-OG 3.48Å; M196-L242 HydrophobicContact CB-CD1 4.11Å
197N98.1Very high94.2Very high8 Ų830 Ų304%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-111.9113.9173.4-57.6-21.7000108.6T114 F185 Y214 T215 S216T114-N197 PolarHBondContact O-ND2 3.18Å; F185-N197 HydrophobicContact CB-CB 4.07Å; F185-N197 HydrophobicContact CD1-CB 4.37Å; F185-N197 PolarHBondContact N-O 2.56Å; F185-N197 PolarHBondContact O-N 3.33Å; N197-Y214 HydrophobicContact CB-CE2 3.97Å; N197-Y214 PolarHBondContact ND2-OH 2.82Å; N197-T215 WeakPolarHBondContact CA-O 3.49Å; N197-S216 WeakPolarHBondContact OD1-CB 3.48Å; N197-S216 PolarHBondContact OD1-OG 3.44Å
198D98.2Very high94.1Very high0 Ų034.4 Ų34.40%020%0.201CC..EExtended strand (participates in β ladder)trans-106.7125.3178.9-75.2-16.2000109.8L182 L183 R184 M196 R200 Y214 T215L182-D198 HydrophobicContact CD1-CB 3.89Å; L183-D198 CarbonylContact O-C 3.57Å; L183-D198 WeakPolarHBondContact O-CA 3.43Å; R184-D198 WeakPolarHBondContact CG-OD1 3.34Å; R184-D198 IonicContact CZ-OD1 3.58Å; R184-D198 IonicContact CZ-OD2 2.65Å; R184-D198 IonicContact NE-OD1 3.1Å; R184-D198 PolarHBondContact NE-OD1 3.1Å; R184-D198 IonicContact NE-OD2 3.6Å; R184-D198 IonicContact NH2-OD1 3.53Å; R184-D198 PolarHBondContact NH2-OD1 3.18Å; R184-D198 IonicContact NH2-OD2 2.71Å; R184-D198 PolarHBondContact NH2-OD2 3.07Å; M196-D198 WeakPolarHBondContact CE-OD2 3.28Å; D198-R200 VanDerWaalsContact CB-NH1 3.34Å; D198-R200 IonicContact OD2-CZ 2.94Å; D198-R200 IonicContact OD2-NH1 2.63Å; D198-R200 IonicContact OD2-NH2 3.53Å; D198-R200 PolarHBondContact OD2-NH2 3.29Å; D198-Y214 CarbonylContact O-C 3.53Å; D198-Y214 WeakPolarHBondContact O-CA 3.29Å; D198-T215 PolarHBondContact N-O 3.42Å; D198-T215 PolarHBondContact O-N 3.48Å
199T98.3Very high94.1Very high3 Ų335 Ų352%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-107.1110.4163.3-60.90000108.6Y116 K117 L183 R212 E213 Y214Y116-T199 PolarHBondContact O-OG1 3.02Å; K117-T199 HydrophobicContact CB-CG2 4.17Å; L183-T199 PolarHBondContact N-O 3.06Å; L183-T199 PolarHBondContact O-N 3.16Å; T199-R212 HydrophobicContact CG2-CG 3.82Å; T199-E213 WeakPolarHBondContact CA-O 3.21Å; T199-Y214 WeakPolarHBondContact OG1-CD2 3.49Å
200R97.9Very high94.3Very high45 Ų4534.8 Ų34.817%0.1720%0.202CC..EExtended strand (participates in β ladder)trans-95.7135.3174.8-64.8172.6-177.674.310.6109.3I136 F180 L181 L182 D198 R212 E213 T215I136-R200 HydrophobicContact CD1-CB 3.6Å; F180-R200 HydrophobicContact CE2-CB 4.04Å; F180-R200 HydrophobicContact CE2-CG 4.23Å; F180-R200 HydrophobicContact CZ-CB 4.25Å; F180-R200 HydrophobicContact CZ-CG 3.97Å; L181-R200 CarbonylContact O-C 3.59Å; L181-R200 WeakPolarHBondContact O-CA 3.41Å; L182-R200 HydrophobicContact CD1-CG 3.92Å; D198-R200 VanDerWaalsContact CB-NH1 3.34Å; D198-R200 IonicContact OD2-CZ 2.94Å; D198-R200 IonicContact OD2-NH1 2.63Å; D198-R200 IonicContact OD2-NH2 3.53Å; D198-R200 PolarHBondContact OD2-NH2 3.29Å; R200-R212 CarbonylContact O-C 3.57Å; R200-R212 VanDerWaalsContact O-CA 3.27Å; R200-R212 WeakPolarHBondContact O-CA 3.24Å; R200-E213 HydrophobicContact CB-CB 4.38Å; R200-E213 PolarHBondContact N-O 3.48Å; R200-E213 PolarHBondContact O-N 2.83Å; R200-T215 PolarHBondContact NH1-OG1 2.9Å
201L97.8Very high94.7Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-127.8127.6175.9-175.874.4000109.1I57 I65 F67 F179 F180 L181 M210 L211 R212 L252I57-L201 HydrophobicContact CD1-CD2 4.18Å; I65-L201 HydrophobicContact CD1-CD2 4.48Å; I65-L201 HydrophobicContact CG2-CD2 3.84Å; F67-L201 HydrophobicContact CZ-CD2 4.5Å; F179-L201 HydrophobicContact CE2-CD2 4.23Å; F179-L201 HydrophobicContact CE2-CG 4.43Å; F180-L201 CarbonylContact C-O 3.56Å; F180-L201 WeakPolarHBondContact CA-O 3.21Å; L181-L201 HydrophobicContact CB-CB 4.21Å; L181-L201 HydrophobicContact CD2-CB 4.16Å; L181-L201 PolarHBondContact N-O 3.2Å; L181-L201 PolarHBondContact O-N 3.12Å; L201-M210 HydrophobicContact CD1-CB 3.79Å; L201-M210 HydrophobicContact CD1-SD 4.06Å; L201-M210 HydrophobicContact CD2-SD 3.94Å; L201-M210 HydrophobicContact CG-CB 4.48Å; L201-M210 HydrophobicContact CG-SD 4.19Å; L201-L211 CarbonylContact C-O 3.59Å; L201-L211 WeakPolarHBondContact CA-O 3.4Å; L201-R212 HydrophobicContact CD1-CB 4.01Å; L201-R212 HydrophobicContact CD1-CG 4.43Å; L201-L252 HydrophobicContact CD1-CD1 3.72Å
202Y96.8Very high95.2Very high14 Ų1429.5 Ų29.56%0.05516%0.157CC..EExtended strand (participates in β ladder)trans-134140.7-177.7-178.3-112.1000111.1I136 L141 F179 F180 E204 M210 L211I136-Y202 HydrophobicContact CG2-CD1 4.34Å; I136-Y202 HydrophobicContact CG2-CG 4.08Å; L141-Y202 HydrophobicContact CD2-CD2 3.91Å; L141-Y202 HydrophobicContact CD2-CE2 3.78Å; F179-Y202 WeakPolarHBondContact O-CD2 3.36Å; F180-Y202 HydrophobicContact CB-CD2 4.26Å; F180-Y202 HydrophobicContact CD2-CD2 4.23Å; Y202-E204 HydrophobicContact CE1-CG 3.51Å; Y202-E204 VanDerWaalsContact OH-CG 3.26Å; Y202-E204 WeakPolarHBondContact OH-CG 3.32Å; Y202-E204 PolarHBondContact OH-OE1 3.04Å; Y202-M210 CarbonylContact O-C 3.58Å; Y202-M210 WeakPolarHBondContact O-CA 3.43Å; Y202-M210 WeakPolarHBondContact O-CB 3.23Å; Y202-L211 PolarHBondContact N-O 2.99Å; Y202-L211 PolarHBondContact O-N 2.78Å
203H95.4Very high95.6Very high7 Ų729.1 Ų29.13%0.03215%0.153CC..EExtended strand (participates in β ladder)trans-146.5135.5176.7170.968.3000110.2W18 S178 F179 K207 Y209 M210 F254W18-H203 AromaticContact CE2-NE2 3.9Å; W18-H203 AromaticContact CZ2-NE2 3.84Å; W18-H203 AromaticContact NE1-CD2 3.92Å; W18-H203 AromaticContact NE1-NE2 3.46Å; W18-H203 PolarHBondContact NE1-NE2 3.49Å; S178-H203 CarbonylContact C-O 3.56Å; S178-H203 WeakPolarHBondContact CA-O 3.32Å; S178-H203 WeakPolarHBondContact CB-O 3.43Å; F179-H203 HydrophobicContact CD1-CB 3.99Å; F179-H203 AromaticContact CD1-CD2 3.83Å; F179-H203 HydrophobicContact CD2-CB 4.46Å; F179-H203 HydrophobicContact CE1-CB 3.46Å; F179-H203 VanDerWaalsContact CE1-CB 3.46Å; F179-H203 AromaticContact CE1-CD2 3.31Å; F179-H203 WeakPolarHBondContact CE1-CD2 3.28Å; F179-H203 AromaticContact CE1-CG 3.68Å; F179-H203 HydrophobicContact CE2-CB 3.94Å; F179-H203 HydrophobicContact CG-CB 4.49Å; F179-H203 HydrophobicContact CZ-CB 3.42Å; F179-H203 VanDerWaalsContact CZ-CB 3.42Å; F179-H203 PolarHBondContact N-O 3.25Å; F179-H203 PolarHBondContact O-N 2.94Å; H203-K207 PolarHBondContact CE1-O 3.15Å; H203-Y209 PolarHBondContact ND1-O 3.13Å; H203-M210 HydrophobicContact CB-CB 4.34Å; H203-M210 HydrophobicContact CB-CG 3.99Å; H203-F254 AromaticContact CE1-CE2 3.74Å; H203-F254 AromaticContact CE1-CZ 3.48Å; H203-F254 VanDerWaalsContact CE1-CZ 3.48Å; H203-F254 WeakPolarHBondContact CE1-CZ 3.5Å; H203-F254 AromaticContact ND1-CZ 3.67Å
204E92.9Very high95.8Very high35 Ų3528.8 Ų28.816%0.16415%0.151CC..EExtended strand (participates in β ladder)trans-105.9140.3169.7-61.4175.2136.600108.9K140 Y202 D206 K207K140-E204 WeakPolarHBondContact CD-OE1 2.98Å; K140-E204 IonicContact NZ-OE1 2.71Å; K140-E204 PolarHBondContact NZ-OE1 3.09Å; K140-E204 IonicContact NZ-OE2 3.67Å; Y202-E204 HydrophobicContact CE1-CG 3.51Å; Y202-E204 VanDerWaalsContact OH-CG 3.26Å; Y202-E204 WeakPolarHBondContact OH-CG 3.32Å; Y202-E204 PolarHBondContact OH-OE1 3.04Å; E204-D206 WeakPolarHBondContact CB-OD1 3.48Å; E204-D206 PolarHBondContact O-N 2.81Å; E204-D206 VanDerWaalsContact O-N 3.09Å; E204-K207 HydrophobicContact CB-CG 3.98Å; E204-K207 PolarHBondContact O-N 2.72Å; E204-K207 WeakPolarHBondContact OE2-CE 3.35Å
205A88.3Confident95.9Very high76 Ų7629.5 Ų29.563%0.62816%0.155SC*.THydrogen-bonded Turntrans-61.3-21-172.400000114.4S177S177-A205 WeakPolarHBondContact O-CB 3.34Å; S177-A205 PolarHBondContact O-N 3.08Å
206D88.4Confident96Very high115 Ų11528.8 Ų28.862%0.61516%0.155SC*.THydrogen-bonded Turntrans-86.4-6177.368.6-46.3000113.4E204E204-D206 WeakPolarHBondContact CB-OD1 3.48Å; E204-D206 PolarHBondContact O-N 2.81Å; E204-D206 VanDerWaalsContact O-N 3.09Å
207K92.8Very high96Very high62 Ų6231 Ų3127%0.2716%0.163SC..  trans-99.6143.4-178.3-55.4-58.2-175.8-133.60111.6H203 E204 Y209H203-K207 PolarHBondContact CE1-O 3.15Å; E204-K207 HydrophobicContact CB-CG 3.98Å; E204-K207 PolarHBondContact O-N 2.72Å; E204-K207 WeakPolarHBondContact OE2-CE 3.35Å; K207-Y209 HydrophobicContact CB-CD1 4.09Å; K207-Y209 HydrophobicContact CB-CE1 3.97Å; K207-Y209 HydrophobicContact CB-CG 4.44Å; K207-Y209 HydrophobicContact CD-CE1 3.91Å; K207-Y209 HydrophobicContact CG-CE1 4.2Å; K207-Y209 PolarHBondContact O-N 3Å
208T94.3Very high95.9Very high92 Ų9233 Ų3356%0.56417%0.172SC*.SBendtrans-92.528.3171.453.90000112.4F254T208-F254 VanDerWaalsContact O-CB 3.3Å; T208-F254 WeakPolarHBondContact O-CB 3.29Å; T208-F254 WeakPolarHBondContact O-CG 2.99Å; T208-F254 PolarHBondContact O-N 3.34Å
209Y95.6Very high95.7Very high50 Ų5033.4 Ų33.420%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-152.6164.2178.463-92.7000111.3H203 K207 L211 K251 L252 I253H203-Y209 PolarHBondContact ND1-O 3.13Å; K207-Y209 HydrophobicContact CB-CD1 4.09Å; K207-Y209 HydrophobicContact CB-CE1 3.97Å; K207-Y209 HydrophobicContact CB-CG 4.44Å; K207-Y209 HydrophobicContact CD-CE1 3.91Å; K207-Y209 HydrophobicContact CG-CE1 4.2Å; K207-Y209 PolarHBondContact O-N 3Å; Y209-L211 HydrophobicContact CD2-CD2 4.43Å; Y209-L211 HydrophobicContact CD2-CG 4.38Å; Y209-L211 HydrophobicContact CE2-CD2 4.12Å; Y209-L211 HydrophobicContact CE2-CG 4.02Å; Y209-K251 HydrophobicContact CD2-CD 4Å; Y209-K251 HydrophobicContact CD2-CG 3.89Å; Y209-K251 HydrophobicContact CE2-CD 4.16Å; Y209-K251 HydrophobicContact CE2-CG 4.3Å; Y209-K251 HydrophobicContact CG-CD 4.33Å; Y209-K251 HydrophobicContact CG-CG 4.46Å; Y209-L252 CarbonylContact C-O 3.54Å; Y209-L252 WeakPolarHBondContact CA-O 2.97Å; Y209-L252 WeakPolarHBondContact CB-O 3.29Å; Y209-I253 HydrophobicContact CG-CD1 4.49Å
210M96.9Very high95.5Very high1 Ų139.6 Ų39.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-112149.7163.8-43.2-174.1176.500109.5W18 F179 L201 Y202 H203 K251 L252 F254W18-M210 HydrophobicContact CE3-CE 4.42Å; W18-M210 HydrophobicContact CH2-CE 3.11Å; W18-M210 HydrophobicContact CZ2-CE 3.75Å; W18-M210 HydrophobicContact CZ3-CE 3.5Å; F179-M210 HydrophobicContact CE1-CE 4.4Å; F179-M210 HydrophobicContact CE2-SD 4.36Å; F179-M210 HydrophobicContact CZ-CE 3.72Å; F179-M210 HydrophobicContact CZ-SD 3.8Å; L201-M210 HydrophobicContact CD1-CB 3.79Å; L201-M210 HydrophobicContact CD1-SD 4.06Å; L201-M210 HydrophobicContact CD2-SD 3.94Å; L201-M210 HydrophobicContact CG-CB 4.48Å; L201-M210 HydrophobicContact CG-SD 4.19Å; Y202-M210 CarbonylContact O-C 3.58Å; Y202-M210 WeakPolarHBondContact O-CA 3.43Å; Y202-M210 WeakPolarHBondContact O-CB 3.23Å; H203-M210 HydrophobicContact CB-CB 4.34Å; H203-M210 HydrophobicContact CB-CG 3.99Å; M210-K251 CarbonylContact O-C 3.58Å; M210-K251 WeakPolarHBondContact O-CA 3.36Å; M210-L252 HydrophobicContact CB-CB 4.16Å; M210-L252 HydrophobicContact CB-CD1 4.49Å; M210-L252 PolarHBondContact N-O 2.65Å; M210-L252 PolarHBondContact O-N 2.94Å; M210-F254 HydrophobicContact CE-CE1 3.95Å; M210-F254 HydrophobicContact CE-CZ 4.12Å; M210-F254 HydrophobicContact CG-CE1 3.8Å; M210-F254 HydrophobicContact CG-CZ 4.21Å
211L97.8Very high95.2Very high17 Ų1738 Ų389%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-93.6128.4166.9-70.3172.1000109T132 D134 I136 L201 Y202 Y209 K251T132-L211 HydrophobicContact CG2-CD2 4.14Å; D134-L211 HydrophobicContact CB-CD2 3.81Å; I136-L211 HydrophobicContact CG1-CB 3.91Å; I136-L211 HydrophobicContact CG1-CD1 4.47Å; L201-L211 CarbonylContact C-O 3.59Å; L201-L211 WeakPolarHBondContact CA-O 3.4Å; Y202-L211 PolarHBondContact N-O 2.99Å; Y202-L211 PolarHBondContact O-N 2.78Å; Y209-L211 HydrophobicContact CD2-CD2 4.43Å; Y209-L211 HydrophobicContact CD2-CG 4.38Å; Y209-L211 HydrophobicContact CE2-CD2 4.12Å; Y209-L211 HydrophobicContact CE2-CG 4.02Å; L211-K251 HydrophobicContact CD2-CD 4.39Å; L211-K251 HydrophobicContact CD2-CG 3.61Å
212R98.2Very high95Very high19 Ų1941.5 Ų41.57%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-117.7117.8173.4-173.817271.8-179.3-1.1108.9K117 T199 R200 L201 E250 L252K117-R212 WeakPolarHBondContact O-CD 3.5Å; K117-R212 PolarHBondContact O-NH1 2.89Å; T199-R212 HydrophobicContact CG2-CG 3.82Å; R200-R212 CarbonylContact O-C 3.57Å; R200-R212 VanDerWaalsContact O-CA 3.27Å; R200-R212 WeakPolarHBondContact O-CA 3.24Å; L201-R212 HydrophobicContact CD1-CB 4.01Å; L201-R212 HydrophobicContact CD1-CG 4.43Å; R212-E250 IonicContact CZ-OE2 2.77Å; R212-E250 PolarHBondContact N-O 2.99Å; R212-E250 IonicContact NE-OE2 3.44Å; R212-E250 PolarHBondContact NE-OE2 3.24Å; R212-E250 IonicContact NH2-OE1 3.85Å; R212-E250 IonicContact NH2-OE2 3.9Å; R212-E250 PolarHBondContact NH2-OE2 3.24Å; R212-E250 PolarHBondContact O-N 3.47Å; R212-L252 HydrophobicContact CB-CD1 4.46Å; R212-L252 HydrophobicContact CB-CG 4.32Å
213E97.9Very high94.9Very high23 Ų2346 Ų4611%0.10725%0.246CC..EExtended strand (participates in β ladder)trans-115.4120.7175.6-66.6-173.2152.500110.2H135 I136 T199 R200 V248 C249H135-E213 WeakPolarHBondContact CA-OE1 3.5Å; H135-E213 WeakPolarHBondContact CB-OE1 3.31Å; H135-E213 IonicContact CG-OE1 3.5Å; H135-E213 IonicContact ND1-OE1 3.67Å; H135-E213 PolarHBondContact ND1-OE1 3.2Å; I136-E213 HydrophobicContact CD1-CB 4.05Å; I136-E213 HydrophobicContact CD1-CG 3.77Å; I136-E213 HydrophobicContact CG1-CG 3.83Å; I136-E213 PolarHBondContact N-OE1 3.45Å; T199-E213 WeakPolarHBondContact CA-O 3.21Å; R200-E213 HydrophobicContact CB-CB 4.38Å; R200-E213 PolarHBondContact N-O 3.48Å; R200-E213 PolarHBondContact O-N 2.83Å; E213-V248 CarbonylContact C-O 3.52Å; E213-V248 WeakPolarHBondContact CA-O 3.23Å; E213-C249 HydrophobicContact CG-CB 4.46Å
214Y98.2Very high94.8Very high6 Ų645.7 Ų45.72%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-100.7133.3171.8176.6-99.6000109.8D115 K117 N197 D198 T199 E246 A247 V248D115-Y214 HydrophobicContact CB-CE2 4.4Å; K117-Y214 HydrophobicContact CD-CD2 4.3Å; K117-Y214 HydrophobicContact CD-CG 4.25Å; K117-Y214 HydrophobicContact CG-CD2 4.14Å; N197-Y214 HydrophobicContact CB-CE2 3.97Å; N197-Y214 PolarHBondContact ND2-OH 2.82Å; D198-Y214 CarbonylContact O-C 3.53Å; D198-Y214 WeakPolarHBondContact O-CA 3.29Å; T199-Y214 WeakPolarHBondContact OG1-CD2 3.49Å; Y214-E246 HydrophobicContact CE1-CG 4.36Å; Y214-A247 CarbonylContact O-C 3.55Å; Y214-A247 VanDerWaalsContact O-CA 3.31Å; Y214-A247 WeakPolarHBondContact O-CA 3.26Å; Y214-V248 PolarHBondContact N-O 2.93Å; Y214-V248 PolarHBondContact O-N 3.4Å
215T97.8Very high94.7Very high15 Ų1550.1 Ų50.19%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-134.5123.9171.259.90000110.3N197 D198 R200 E246 A247N197-T215 WeakPolarHBondContact CA-O 3.49Å; D198-T215 PolarHBondContact N-O 3.42Å; D198-T215 PolarHBondContact O-N 3.48Å; R200-T215 PolarHBondContact NH1-OG1 2.9Å; T215-E246 CarbonylContact C-O 3.53Å; T215-E246 WeakPolarHBondContact CA-O 3.21Å; T215-A247 HydrophobicContact CG2-CB 4.41Å
216S97.6Very high94.9Very high15 Ų1553 Ų5311%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-99.9126.3167.8-174.40000109.9N197 K245 E246N197-S216 WeakPolarHBondContact OD1-CB 3.48Å; N197-S216 PolarHBondContact OD1-OG 3.44Å; S216-K245 PolarHBondContact O-N 3.44Å; S216-E246 PolarHBondContact N-O 2.83Å; S216-E246 PolarHBondContact O-N 3.24Å
217R97.6Very high95.2Very high47 Ų4747.8 Ų47.818%0.17724%0.24CC..EExtended strand (participates in β ladder)trans-123.7139.7179.6-63.3175.9179.6-99.70.2109.7R195 M196 S239 L242 P243 I244R195-R217 CarbonylContact C-O 3.52Å; R195-R217 VanDerWaalsContact CA-O 3.32Å; R195-R217 WeakPolarHBondContact CA-O 3.39Å; M196-R217 PolarHBondContact N-O 2.75Å; M196-R217 PolarHBondContact O-N 3.04Å; R217-S239 PolarHBondContact NH1-O 3.08Å; R217-L242 HydrophobicContact CB-CB 3.7Å; R217-L242 HydrophobicContact CB-CD1 4.36Å; R217-L242 PolarHBondContact NH1-O 2.91Å; R217-L242 VanDerWaalsContact NH1-O 3.1Å; R217-P243 WeakPolarHBondContact CA-O 3.39Å; R217-I244 HydrophobicContact CG-CG1 4.05Å; R217-I244 VanDerWaalsContact CZ-CG1 3.49Å
218E95Very high95.3Very high51 Ų5148 Ų4824%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-154.2136.4179.1-178.3-174.69800111.9I194 R195 P243 K245I194-E218 WeakPolarHBondContact O-CA 3.43Å; R195-E218 HydrophobicContact CB-CB 4.45Å; R195-E218 HydrophobicContact CB-CG 4.31Å; R195-E218 HydrophobicContact CG-CB 4.46Å; R195-E218 IonicContact CZ-OE2 3.09Å; R195-E218 IonicContact NE-OE2 3.5Å; R195-E218 PolarHBondContact NE-OE2 3.47Å; R195-E218 IonicContact NH2-OE2 2.69Å; R195-E218 PolarHBondContact NH2-OE2 3.4Å; E218-P243 PolarHBondContact N-O 2.98Å; E218-P243 WeakPolarHBondContact O-CD 3.3Å; E218-P243 VanDerWaalsContact O-CG 3.24Å; E218-P243 WeakPolarHBondContact O-CG 3.25Å; E218-K245 HydrophobicContact CB-CG 4.07Å; E218-K245 WeakPolarHBondContact O-CE 3.47Å
219S94.5Very high95.1Very high9 Ų948.3 Ų48.36%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-140.8147166-173.10000111.5L193 I194L193-S219 WeakPolarHBondContact CA-O 3.39Å; L193-S219 WeakPolarHBondContact CB-O 3.2Å; I194-S219 PolarHBondContact N-O 2.95Å; I194-S219 PolarHBondContact O-N 3.45Å
220K93.5Very high95Very high132 Ų13249.7 Ų49.757%0.57427%0.268SS*.EExtended strand (participates in β ladder)trans-66.6144.4162.9-64.6-174.4178.7-175.40109.7V192 S222 N223V192-K220 CarbonylContact O-C 3.59Å; V192-K220 WeakPolarHBondContact O-CA 3.41Å; K220-S222 PolarHBondContact O-N 3.07Å; K220-N223 PolarHBondContact O-N 3.47Å
221I92.4Very high94.8Very high11 Ų1151.3 Ų51.36%0.05628%0.277CS..G310 helixtrans-61.2-33.9177.2-77.4177.3000110.7I189 V192 I194 N223 L224 M225 F232I189-I221 WeakPolarHBondContact O-CD1 3.47Å; V192-I221 PolarHBondContact O-N 2.72Å; I194-I221 HydrophobicContact CD1-CG1 4.48Å; I194-I221 HydrophobicContact CG1-CD1 4.38Å; I194-I221 HydrophobicContact CG1-CG1 4.12Å; I221-N223 PolarHBondContact O-N 3.23Å; I221-N223 VanDerWaalsContact O-N 3.11Å; I221-L224 CarbonylContact O-C 3.58Å; I221-L224 WeakPolarHBondContact O-CA 3.26Å; I221-L224 WeakPolarHBondContact O-CB 3.31Å; I221-L224 PolarHBondContact O-N 2.91Å; I221-M225 HydrophobicContact CG2-CE 3.4Å; I221-M225 WeakPolarHBondContact O-CE 3.4Å; I221-M225 PolarHBondContact O-N 3.38Å; I221-F232 HydrophobicContact CG2-CE2 4.18Å
222S93.6Very high94.6Very high75 Ų7551.7 Ų51.752%0.52428%0.277SS..G310 helixtrans-55.6-28.4174.259.80000114.4K220 M225K220-S222 PolarHBondContact O-N 3.07Å; S222-M225 VanDerWaalsContact O-CG 3.28Å; S222-M225 WeakPolarHBondContact O-CG 3.35Å
223N93.8Very high94.3Very high107 Ų10754.6 Ų54.657%0.57230%0.297SS*.G310 helixtrans-85.2-13.3176.2-63.6-17.7000112.6K220 I221 H226K220-N223 PolarHBondContact O-N 3.47Å; I221-N223 PolarHBondContact O-N 3.23Å; I221-N223 VanDerWaalsContact O-N 3.11Å; N223-H226 PolarHBondContact O-CE1 3.18Å; N223-H226 VanDerWaalsContact O-CE1 3.23Å; N223-H226 PolarHBondContact O-ND1 3.19Å
224L93.5Very high94.1Very high2 Ų258.1 Ų58.11%0.0131%0.314CS..G310 helixtrans-100.611.9-177.7-57.9176.4000112.7I194 I221 H226 V227 F232 I238 L242I194-L224 HydrophobicContact CD1-CD1 3.95Å; I194-L224 HydrophobicContact CG1-CD1 4.4Å; I221-L224 CarbonylContact O-C 3.58Å; I221-L224 WeakPolarHBondContact O-CA 3.26Å; I221-L224 WeakPolarHBondContact O-CB 3.31Å; I221-L224 PolarHBondContact O-N 2.91Å; L224-H226 PolarHBondContact O-N 3.3Å; L224-V227 HydrophobicContact CB-CG2 4.44Å; L224-V227 HydrophobicContact CD2-CG2 4.45Å; L224-V227 WeakPolarHBondContact O-CB 2.99Å; L224-V227 PolarHBondContact O-N 3.32Å; L224-F232 HydrophobicContact CB-CE1 3.91Å; L224-F232 HydrophobicContact CB-CZ 3.97Å; L224-F232 HydrophobicContact CD1-CE1 4.36Å; L224-I238 HydrophobicContact CD1-CD1 4.39Å; L224-L242 HydrophobicContact CD1-CD2 3.87Å; L224-L242 HydrophobicContact CD2-CD2 4.43Å
225M91.4Very high93.9Very high128 Ų12859.3 Ų59.363%0.63132%0.323SS*.THydrogen-bonded Turntrans-59.5-18.5-179.4-66.7-68.7107.700114.4I221 S222 V227I221-M225 HydrophobicContact CG2-CE 3.4Å; I221-M225 WeakPolarHBondContact O-CE 3.4Å; I221-M225 PolarHBondContact O-N 3.38Å; S222-M225 VanDerWaalsContact O-CG 3.28Å; S222-M225 WeakPolarHBondContact O-CG 3.35Å; M225-V227 VanDerWaalsContact C-N 3.33Å
226H92.8Very high93.6Very high135 Ų13563 Ų6363%0.62534%0.341SS*.THydrogen-bonded Turntrans-83-9.9175.564.4-82.6000113.2N223 L224 Y241N223-H226 PolarHBondContact O-CE1 3.18Å; N223-H226 VanDerWaalsContact O-CE1 3.23Å; N223-H226 PolarHBondContact O-ND1 3.19Å; L224-H226 PolarHBondContact O-N 3.3Å; H226-Y241 AromaticContact NE2-CD1 3.95Å
227V94.1Very high93.4Very high6 Ų666.9 Ų66.94%0.03636%0.358CS..SBendtrans-97.8136.8-178.5-175.10000109L224 M225 L231 F232 I238 Y241L224-V227 HydrophobicContact CB-CG2 4.44Å; L224-V227 HydrophobicContact CD2-CG2 4.45Å; L224-V227 WeakPolarHBondContact O-CB 2.99Å; L224-V227 PolarHBondContact O-N 3.32Å; M225-V227 VanDerWaalsContact C-N 3.33Å; V227-L231 HydrophobicContact CG1-CB 4.07Å; V227-L231 HydrophobicContact CG1-CD1 3.84Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; V227-F232 HydrophobicContact CB-CE1 4.04Å; V227-F232 HydrophobicContact CG1-CE1 4.15Å; V227-I238 HydrophobicContact CG1-CD1 3.85Å; V227-Y241 HydrophobicContact CG1-CD2 4Å; V227-Y241 HydrophobicContact CG1-CE2 3.99Å; V227-Y241 HydrophobicContact CG1-CG 4.34Å; V227-Y241 HydrophobicContact CG2-CD1 3.5Å; V227-Y241 VanDerWaalsContact CG2-CD1 3.5Å; V227-Y241 HydrophobicContact CG2-CD2 4.16Å; V227-Y241 HydrophobicContact CG2-CE1 3.9Å; V227-Y241 HydrophobicContact CG2-CG 3.64Å
228P93.9Very high93.3Very high68 Ų6864.7 Ų64.744%0.44235%0.35SS..  trans-57.3130.9176-24.633.3000111.9S230 L231P228-S230 PolarHBondContact O-N 2.76Å; P228-S230 VanDerWaalsContact O-N 3.09Å; P228-L231 HydrophobicContact CB-CG 4.32Å; P228-L231 HydrophobicContact CG-CD1 4.38Å; P228-L231 WeakPolarHBondContact O-CB 3.06Å; P228-L231 PolarHBondContact O-N 2.99Å
229P91.3Very high93.3Very high98 Ų9863 Ų6364%0.63634%0.343SS*.G310 helixtrans-57.8-26.5-179.2-28.335.7000114.5L231 F232P229-L231 PolarHBondContact O-N 3.41Å; P229-F232 HydrophobicContact CB-CD2 4.31Å; P229-F232 HydrophobicContact CB-CE2 4.33Å; P229-F232 WeakPolarHBondContact O-CB 2.99Å; P229-F232 PolarHBondContact O-N 3.27Å
230S92.8Very high93.2Very high79 Ų7968.6 Ų68.655%0.55237%0.369SS*.G310 helixtrans-60.9-22.1174.257.80000113.4P228 F232 T233P228-S230 PolarHBondContact O-N 2.76Å; P228-S230 VanDerWaalsContact O-N 3.09Å; S230-F232 VanDerWaalsContact C-N 3.35Å; S230-T233 PolarHBondContact O-OG1 3.44Å; S230-T233 VanDerWaalsContact O-OG1 3.1Å
231L94.2Very high93.3Very high35 Ų3566.4 Ų66.418%0.18336%0.358CS..G310 helixtrans-80.7-16.9176.1-57.4-173.5000112.2V227 P228 P229 T233 E234 E237 I238 Y241V227-L231 HydrophobicContact CG1-CB 4.07Å; V227-L231 HydrophobicContact CG1-CD1 3.84Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; P228-L231 HydrophobicContact CB-CG 4.32Å; P228-L231 HydrophobicContact CG-CD1 4.38Å; P228-L231 WeakPolarHBondContact O-CB 3.06Å; P228-L231 PolarHBondContact O-N 2.99Å; P229-L231 PolarHBondContact O-N 3.41Å; L231-T233 PolarHBondContact O-N 2.81Å; L231-E234 PolarHBondContact O-N 3.25Å; L231-E237 HydrophobicContact CD2-CB 3.91Å; L231-E237 HydrophobicContact CD2-CG 4.29Å; L231-I238 WeakPolarHBondContact O-CB 3.38Å; L231-Y241 HydrophobicContact CD1-CE2 4.12Å
232F92.7Very high93.4Very high24 Ų2466 Ų6611%0.10536%0.355CS..THydrogen-bonded Turntrans-67.3-19.2179.7-60.8-13000112.8F186 R188 I194 I221 L224 V227 P229 S230 I238F186-F232 WeakPolarHBondContact CZ-O 3.24Å; R188-F232 WeakPolarHBondContact CD-O 3.41Å; I194-F232 HydrophobicContact CD1-CB 3.87Å; I194-F232 HydrophobicContact CD1-CD1 3.79Å; I194-F232 HydrophobicContact CD1-CG 3.85Å; I221-F232 HydrophobicContact CG2-CE2 4.18Å; L224-F232 HydrophobicContact CB-CE1 3.91Å; L224-F232 HydrophobicContact CB-CZ 3.97Å; L224-F232 HydrophobicContact CD1-CE1 4.36Å; V227-F232 HydrophobicContact CB-CE1 4.04Å; V227-F232 HydrophobicContact CG1-CE1 4.15Å; P229-F232 HydrophobicContact CB-CD2 4.31Å; P229-F232 HydrophobicContact CB-CE2 4.33Å; P229-F232 WeakPolarHBondContact O-CB 2.99Å; P229-F232 PolarHBondContact O-N 3.27Å; S230-F232 VanDerWaalsContact C-N 3.35Å; F232-I238 HydrophobicContact CD1-CD1 3.68Å; F232-I238 HydrophobicContact CD1-CG1 4.36Å; F232-I238 HydrophobicContact CE1-CD1 3.97Å
233T91.8Very high93.5Very high80 Ų8065.4 Ų65.449%0.49135%0.35SS..THydrogen-bonded Turntrans-93.9-0.3174.157.40000112.8S230 L231 P235S230-T233 PolarHBondContact O-OG1 3.44Å; S230-T233 VanDerWaalsContact O-OG1 3.1Å; L231-T233 PolarHBondContact O-N 2.81Å; T233-P235 WeakPolarHBondContact O-CD 3.47Å
234E93.8Very high93.7Very high97 Ų9764.3 Ų64.345%0.45334%0.343SS..  trans-116.490.3-173.9-67.7-65.3164.900110.6L231 N236 E237 I238L231-E234 PolarHBondContact O-N 3.25Å; E234-N236 PolarHBondContact O-N 3.47Å; E234-N236 VanDerWaalsContact O-N 3.09Å; E234-E237 HydrophobicContact CB-CB 3.97Å; E234-E237 HydrophobicContact CB-CG 4.05Å; E234-E237 PolarHBondContact O-N 3.48Å; E234-I238 WeakPolarHBondContact O-CG2 3.49Å; E234-I238 PolarHBondContact O-N 3.35Å
235P93.4Very high93.7Very high32 Ų3270.7 Ų70.721%0.20837%0.371CS..Hα-helixtrans-56.4-33.4-173.2-27.734.8000114.3F186 T233 S239F186-P235 HydrophobicContact CB-CG 4.46Å; F186-P235 HydrophobicContact CD1-CG 4.01Å; F186-P235 HydrophobicContact CD2-CB 3.78Å; F186-P235 HydrophobicContact CD2-CG 3.86Å; F186-P235 HydrophobicContact CE1-CG 4.19Å; F186-P235 HydrophobicContact CE2-CB 4.07Å; F186-P235 HydrophobicContact CE2-CG 4.04Å; F186-P235 HydrophobicContact CG-CB 4.17Å; F186-P235 HydrophobicContact CG-CG 3.83Å; F186-P235 HydrophobicContact CZ-CG 4.2Å; T233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-S239 WeakPolarHBondContact O-CB 3.34Å; P235-S239 PolarHBondContact O-N 2.92Å
236N92.3Very high93.9Very high91 Ų9168.7 Ų68.749%0.48736%0.36SS..Hα-helixtrans-68.9-39.8178.4-63.5-45.8000112.1R184 E234R184-N236 PolarHBondContact NH1-OD1 3.21Å; E234-N236 PolarHBondContact O-N 3.47Å; E234-N236 VanDerWaalsContact O-N 3.09Å
237E93.7Very high94.1Very high98 Ų9865.4 Ų65.446%0.45836%0.356SS..Hα-helixtrans-81.2-38.2-175.6-61.5-57.2140.100112L231 E234 Q240L231-E237 HydrophobicContact CD2-CB 3.91Å; L231-E237 HydrophobicContact CD2-CG 4.29Å; E234-E237 HydrophobicContact CB-CB 3.97Å; E234-E237 HydrophobicContact CB-CG 4.05Å; E234-E237 PolarHBondContact O-N 3.48Å; E237-Q240 WeakPolarHBondContact O-CG 2.87Å; E237-Q240 PolarHBondContact O-NE2 3.37Å
238I95Very high94.3Very high0 Ų067.2 Ų67.20%037%0.367CS..Hα-helixtrans-73.4-27.5-179.1-161.656.9000113.2F186 I194 L224 V227 L231 F232 E234 Q240 Y241 L242F186-I238 HydrophobicContact CE2-CG2 3.95Å; I194-I238 HydrophobicContact CD1-CD1 4.48Å; I194-I238 HydrophobicContact CD1-CG1 3.92Å; I194-I238 HydrophobicContact CG2-CG2 4.49Å; L224-I238 HydrophobicContact CD1-CD1 4.39Å; V227-I238 HydrophobicContact CG1-CD1 3.85Å; L231-I238 WeakPolarHBondContact O-CB 3.38Å; F232-I238 HydrophobicContact CD1-CD1 3.68Å; F232-I238 HydrophobicContact CD1-CG1 4.36Å; F232-I238 HydrophobicContact CE1-CD1 3.97Å; E234-I238 WeakPolarHBondContact O-CG2 3.49Å; E234-I238 PolarHBondContact O-N 3.35Å; I238-Q240 PolarHBondContact O-N 3.2Å; I238-Q240 VanDerWaalsContact O-N 3.08Å; I238-Y241 HydrophobicContact CD1-CD2 4.14Å; I238-Y241 PolarHBondContact O-N 3.11Å; I238-L242 HydrophobicContact CG1-CD2 4.42Å; I238-L242 HydrophobicContact CG1-CG 4.48Å; I238-L242 HydrophobicContact CG2-CD1 4.46Å; I238-L242 PolarHBondContact O-N 3.09Å
239S93.8Very high94.4Very high15 Ų1565 Ų6511%0.10535%0.353CS..G310 helixtrans-48.2-39.9-177.5172.10000113.9M196 R217 P235 Y241 L242M196-S239 WeakPolarHBondContact CE-OG 3.48Å; R217-S239 PolarHBondContact NH1-O 3.08Å; P235-S239 WeakPolarHBondContact O-CB 3.34Å; P235-S239 PolarHBondContact O-N 2.92Å; S239-Y241 VanDerWaalsContact C-N 3.26Å; S239-Y241 PolarHBondContact O-N 2.99Å; S239-L242 PolarHBondContact O-N 3.38Å
240Q93.4Very high94.7Very high127 Ų12762 Ų6259%0.59333%0.331SS*.G310 helixtrans-67.8-23.8-178.271.5-166-47.700113.7E237 I238E237-Q240 WeakPolarHBondContact O-CG 2.87Å; E237-Q240 PolarHBondContact O-NE2 3.37Å; I238-Q240 PolarHBondContact O-N 3.2Å; I238-Q240 VanDerWaalsContact O-N 3.08Å
241Y94.9Very high94.9Very high87 Ų8760 Ų6034%0.34131%0.312SS..G310 helixtrans-90.3-12.7179.1-57.5-82000112.7H226 V227 L231 I238 S239H226-Y241 AromaticContact NE2-CD1 3.95Å; V227-Y241 HydrophobicContact CG1-CD2 4Å; V227-Y241 HydrophobicContact CG1-CE2 3.99Å; V227-Y241 HydrophobicContact CG1-CG 4.34Å; V227-Y241 HydrophobicContact CG2-CD1 3.5Å; V227-Y241 VanDerWaalsContact CG2-CD1 3.5Å; V227-Y241 HydrophobicContact CG2-CD2 4.16Å; V227-Y241 HydrophobicContact CG2-CE1 3.9Å; V227-Y241 HydrophobicContact CG2-CG 3.64Å; L231-Y241 HydrophobicContact CD1-CE2 4.12Å; I238-Y241 HydrophobicContact CD1-CD2 4.14Å; I238-Y241 PolarHBondContact O-N 3.11Å; S239-Y241 VanDerWaalsContact C-N 3.26Å; S239-Y241 PolarHBondContact O-N 2.99Å
242L95.3Very high95.1Very high2 Ų258.3 Ų58.31%0.0130%0.303CS..SBendtrans-88121.8-179.9-55.6177.8000110.4I194 M196 R217 L224 I238 S239I194-L242 HydrophobicContact CB-CD2 4.03Å; I194-L242 HydrophobicContact CG2-CD1 3.77Å; I194-L242 HydrophobicContact CG2-CD2 4.13Å; M196-L242 HydrophobicContact CB-CD1 4.11Å; R217-L242 HydrophobicContact CB-CB 3.7Å; R217-L242 HydrophobicContact CB-CD1 4.36Å; R217-L242 PolarHBondContact NH1-O 2.91Å; R217-L242 VanDerWaalsContact NH1-O 3.1Å; L224-L242 HydrophobicContact CD1-CD2 3.87Å; L224-L242 HydrophobicContact CD2-CD2 4.43Å; I238-L242 HydrophobicContact CG1-CD2 4.42Å; I238-L242 HydrophobicContact CG1-CG 4.48Å; I238-L242 HydrophobicContact CG2-CD1 4.46Å; I238-L242 PolarHBondContact O-N 3.09Å; S239-L242 PolarHBondContact O-N 3.38Å
243P96.4Very high95.3Very high62 Ų6259.9 Ų59.940%0.40331%0.312SS..PPolyproline II helixtrans-68.6141.5176.829.7-32.6000110.4R217 E218 K245R217-P243 WeakPolarHBondContact CA-O 3.39Å; E218-P243 PolarHBondContact N-O 2.98Å; E218-P243 WeakPolarHBondContact O-CD 3.3Å; E218-P243 VanDerWaalsContact O-CG 3.24Å; E218-P243 WeakPolarHBondContact O-CG 3.25Å; P243-K245 PolarHBondContact O-N 3.02Å
244I96.9Very high95.4Very high85 Ų8557.1 Ų57.144%0.43629%0.293SS..EExtended strand (participates in β ladder)trans-72.8126175.7-56.8173.5000108.5R217 E246 A247R217-I244 HydrophobicContact CG-CG1 4.05Å; R217-I244 VanDerWaalsContact CZ-CG1 3.49Å; I244-E246 VanDerWaalsContact CG2-O 3.3Å; I244-E246 WeakPolarHBondContact CG2-O 3.49Å; I244-A247 HydrophobicContact CG2-CB 4.11Å
245K94.5Very high95.3Very high135 Ų13553.5 Ų53.559%0.58728%0.278SS*.EExtended strand (participates in β ladder)trans-97.3-35.4174.6-60.9-58.9-174.7179.30111.8S216 E218 P243S216-K245 PolarHBondContact O-N 3.44Å; E218-K245 HydrophobicContact CB-CG 4.07Å; E218-K245 WeakPolarHBondContact O-CE 3.47Å; P243-K245 PolarHBondContact O-N 3.02Å
246E95.8Very high94.4Very high86 Ų8661.6 Ų61.640%0.40231%0.313SS..EExtended strand (participates in β ladder)trans-141.9139.8-179.9-171.1-17716800109.6Y214 T215 S216 I244 V248Y214-E246 HydrophobicContact CE1-CG 4.36Å; T215-E246 CarbonylContact C-O 3.53Å; T215-E246 WeakPolarHBondContact CA-O 3.21Å; S216-E246 PolarHBondContact N-O 2.83Å; S216-E246 PolarHBondContact O-N 3.24Å; I244-E246 VanDerWaalsContact CG2-O 3.3Å; I244-E246 WeakPolarHBondContact CG2-O 3.49Å; E246-V248 HydrophobicContact CG-CG2 4.23Å
247A96.6Very high92.7Very high66 Ų6665.9 Ų65.955%0.54532%0.323SS..EExtended strand (participates in β ladder)trans-141.2129.7171.700000109.6Y214 T215 I244Y214-A247 CarbonylContact O-C 3.55Å; Y214-A247 VanDerWaalsContact O-CA 3.31Å; Y214-A247 WeakPolarHBondContact O-CA 3.26Å; T215-A247 HydrophobicContact CG2-CB 4.41Å; I244-A247 HydrophobicContact CG2-CB 4.11Å
248V97.1Very high90.9Very high45 Ų4565.4 Ų65.427%0.27332%0.322SS..EExtended strand (participates in β ladder)trans-134.5130.8-179.7-176.60000108.8E213 Y214 E246 E250E213-V248 CarbonylContact C-O 3.52Å; E213-V248 WeakPolarHBondContact CA-O 3.23Å; Y214-V248 PolarHBondContact N-O 2.93Å; Y214-V248 PolarHBondContact O-N 3.4Å; E246-V248 HydrophobicContact CG-CG2 4.23Å; V248-E250 HydrophobicContact CG1-CG 4.01Å
249C96.9Very high88.3Confident22 Ų2272 Ų7215%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-119.4127.6178-61.60000109.9T132 H135 E213T132-C249 HydrophobicContact CG2-CB 4.11Å; T132-C249 PolarHBondContact N-O 3.27Å; T132-C249 VanDerWaalsContact N-O 3.09Å; H135-C249 PolarHBondContact CE1-SG 2.85Å; H135-C249 PolarHBondContact ND1-SG 2.86Å; H135-C249 VanDerWaalsContact ND1-SG 3.44Å; E213-C249 HydrophobicContact CG-CB 4.46Å
250E97.7Very high85.8Confident35 Ų3576.9 Ų76.916%0.16439%0.389CS..EExtended strand (participates in β ladder)trans-134.7148.2-175.6-61.8170.5131.800110.8V129 V130 R212 V248V129-E250 HydrophobicContact CG1-CB 4Å; V129-E250 VanDerWaalsContact CG1-CD 3.49Å; V129-E250 HydrophobicContact CG1-CG 4.02Å; V129-E250 VanDerWaalsContact CG1-OE1 3.26Å; V129-E250 WeakPolarHBondContact CG1-OE1 3.45Å; V130-E250 CarbonylContact O-C 3.57Å; V130-E250 VanDerWaalsContact O-CA 3.31Å; V130-E250 WeakPolarHBondContact O-CA 3.35Å; R212-E250 IonicContact CZ-OE2 2.77Å; R212-E250 PolarHBondContact N-O 2.99Å; R212-E250 IonicContact NE-OE2 3.44Å; R212-E250 PolarHBondContact NE-OE2 3.24Å; R212-E250 IonicContact NH2-OE1 3.85Å; R212-E250 IonicContact NH2-OE2 3.9Å; R212-E250 PolarHBondContact NH2-OE2 3.24Å; R212-E250 PolarHBondContact O-N 3.47Å; V248-E250 HydrophobicContact CG1-CG 4.01Å
251K97.6Very high83.2Confident36 Ų3677.1 Ų77.116%0.15739%0.394CS..EExtended strand (participates in β ladder)trans-99.5133.7164.2-80.8175.5-178.6177.50109.9V129 V130 T132 D134 Y209 M210 L211 I253V129-K251 WeakPolarHBondContact CA-O 3.46Å; V130-K251 HydrophobicContact CG2-CB 3.71Å; V130-K251 PolarHBondContact N-O 3.14Å; V130-K251 PolarHBondContact O-N 2.97Å; T132-K251 HydrophobicContact CG2-CG 3.95Å; T132-K251 WeakPolarHBondContact OG1-CE 3.44Å; D134-K251 IonicContact OD1-NZ 2.66Å; D134-K251 WeakPolarHBondContact OD2-CE 3.23Å; D134-K251 IonicContact OD2-NZ 3.85Å; D134-K251 PolarHBondContact OD2-NZ 3.4Å; Y209-K251 HydrophobicContact CD2-CD 4Å; Y209-K251 HydrophobicContact CD2-CG 3.89Å; Y209-K251 HydrophobicContact CE2-CD 4.16Å; Y209-K251 HydrophobicContact CE2-CG 4.3Å; Y209-K251 HydrophobicContact CG-CD 4.33Å; Y209-K251 HydrophobicContact CG-CG 4.46Å; M210-K251 CarbonylContact O-C 3.58Å; M210-K251 WeakPolarHBondContact O-CA 3.36Å; L211-K251 HydrophobicContact CD2-CD 4.39Å; L211-K251 HydrophobicContact CD2-CG 3.61Å; K251-I253 HydrophobicContact CB-CD1 3.75Å; K251-I253 HydrophobicContact CB-CG1 4.43Å; K251-I253 HydrophobicContact CD-CD1 4.27Å
252L97.2Very high80.5Confident0 Ų078.2 Ų78.20%041%0.412CS..EExtended strand (participates in β ladder)trans-96.793.1167.9-53.9-173.2000108I65 L120 L127 V129 L201 Y209 M210 R212I65-L252 HydrophobicContact CD1-CD1 4.19Å; L120-L252 HydrophobicContact CD2-CD1 4.4Å; L127-L252 HydrophobicContact CB-CB 4.32Å; L127-L252 HydrophobicContact CD1-CB 4.28Å; L127-L252 HydrophobicContact CD1-CD1 4.16Å; L127-L252 HydrophobicContact CD2-CB 4.37Å; V129-L252 HydrophobicContact CB-CD2 4.28Å; V129-L252 HydrophobicContact CG1-CD2 4.29Å; V129-L252 HydrophobicContact CG2-CD2 3.67Å; L201-L252 HydrophobicContact CD1-CD1 3.72Å; Y209-L252 CarbonylContact C-O 3.54Å; Y209-L252 WeakPolarHBondContact CA-O 2.97Å; Y209-L252 WeakPolarHBondContact CB-O 3.29Å; M210-L252 HydrophobicContact CB-CB 4.16Å; M210-L252 HydrophobicContact CB-CD1 4.49Å; M210-L252 PolarHBondContact N-O 2.65Å; M210-L252 PolarHBondContact O-N 2.94Å; R212-L252 HydrophobicContact CB-CD1 4.46Å; R212-L252 HydrophobicContact CB-CG 4.32Å
253I96.9Very high78Confident57 Ų5781.8 Ų81.829%0.29244%0.442SS..EExtended strand (participates in β ladder)trans-76.1136.3-176.8-51.2-61.6000110.2K128 V130 Y209 K251K128-I253 HydrophobicContact CB-CB 4.36Å; K128-I253 PolarHBondContact N-O 2.81Å; K128-I253 PolarHBondContact O-N 2.99Å; V130-I253 HydrophobicContact CG1-CG1 4.34Å; V130-I253 HydrophobicContact CG2-CD1 4.05Å; V130-I253 HydrophobicContact CG2-CG1 3.76Å; Y209-I253 HydrophobicContact CG-CD1 4.49Å; K251-I253 HydrophobicContact CB-CD1 3.75Å; K251-I253 HydrophobicContact CB-CG1 4.43Å; K251-I253 HydrophobicContact CD-CD1 4.27Å
254F94.8Very high75.5Confident21 Ų2186.7 Ų86.79%0.09246%0.464CS..PPolyproline II helixtrans-74.1145.1177.6-62.5-3.4000111W18 F63 L127 H203 T208 M210W18-F254 HydrophobicContact CH2-CE1 4.02Å; W18-F254 HydrophobicContact CH2-CE2 4.17Å; W18-F254 AromaticContact CH2-CZ 3.64Å; W18-F254 HydrophobicContact CH2-CZ 3.64Å; W18-F254 HydrophobicContact CZ2-CE1 4.27Å; W18-F254 AromaticContact CZ2-CE2 3.74Å; W18-F254 HydrophobicContact CZ2-CE2 3.74Å; W18-F254 AromaticContact CZ2-CZ 3.43Å; W18-F254 HydrophobicContact CZ2-CZ 3.43Å; W18-F254 VanDerWaalsContact CZ2-CZ 3.43Å; F63-F254 HydrophobicContact CE2-CB 4.49Å; F63-F254 AromaticContact CE2-CD1 3.84Å; F63-F254 HydrophobicContact CE2-CD1 3.84Å; F63-F254 HydrophobicContact CE2-CE1 4.19Å; F63-F254 HydrophobicContact CE2-CG 4.02Å; F63-F254 HydrophobicContact CZ-CB 4.13Å; F63-F254 HydrophobicContact CZ-CD1 4.19Å; F63-F254 HydrophobicContact CZ-CD2 4.12Å; F63-F254 AromaticContact CZ-CG 3.88Å; F63-F254 HydrophobicContact CZ-CG 3.88Å; L127-F254 HydrophobicContact CD2-CD1 3.52Å; L127-F254 HydrophobicContact CD2-CE1 3.95Å; H203-F254 AromaticContact CE1-CE2 3.74Å; H203-F254 AromaticContact CE1-CZ 3.48Å; H203-F254 VanDerWaalsContact CE1-CZ 3.48Å; H203-F254 WeakPolarHBondContact CE1-CZ 3.5Å; H203-F254 AromaticContact ND1-CZ 3.67Å; T208-F254 VanDerWaalsContact O-CB 3.3Å; T208-F254 WeakPolarHBondContact O-CB 3.29Å; T208-F254 WeakPolarHBondContact O-CG 2.99Å; T208-F254 PolarHBondContact O-N 3.34Å; M210-F254 HydrophobicContact CE-CE1 3.95Å; M210-F254 HydrophobicContact CE-CZ 4.12Å; M210-F254 HydrophobicContact CG-CE1 3.8Å; M210-F254 HydrophobicContact CG-CZ 4.21Å
255P91.1Very high72.8Confident22 Ų2287.2 Ų87.214%0.14348%0.476CS..PPolyproline II helixtrans-70.3146.3178.926.8-30.8000111.8F63 L125 R257F63-P255 HydrophobicContact CB-CG 4.47Å; F63-P255 HydrophobicContact CD1-CG 3.59Å; F63-P255 HydrophobicContact CE1-CG 3.93Å; F63-P255 HydrophobicContact CG-CG 4.06Å; L125-P255 HydrophobicContact CB-CB 4.23Å; L125-P255 HydrophobicContact CB-CG 3.79Å; L125-P255 HydrophobicContact CD2-CB 4.09Å; L125-P255 HydrophobicContact CD2-CG 4.44Å; L125-P255 HydrophobicContact CG-CG 4.47Å; P255-R257 PolarHBondContact O-N 2.85Å
256E73.7Confident70.3Confident202 Ų20289.5 Ų89.594%0.94449%0.489SS*.SBendtrans-71.214-169.7-66.7-17816800116.1
257R57.8Low67.8Low181 Ų18195 Ų9568%0.68351%0.511SS*.  trans-117.484.1173.5-82.7-174.5175.9173.2-1.5110.8L125 P255L125-R257 HydrophobicContact CD1-CB 4.43Å; L125-R257 HydrophobicContact CD2-CB 4.37Å; P255-R257 PolarHBondContact O-N 2.85Å
258I55.4Low65.4Low88 Ų8897 Ų9745%0.45152%0.521SS..  trans-110.571.1162.8-51.9172.8000105.8P260I258-P260 VanDerWaalsContact O-CD 3.31Å; I258-P260 WeakPolarHBondContact O-CD 3.43Å
259D41.5Very low62.7Low137 Ų137101.5 Ų101.573%0.73355%0.549SS*.  trans-72.9120.8169.2-77.6-37.4000107.8N261D259-N261 PolarHBondContact O-N 3.4Å
260P41.2Very low59.8Low118 Ų118109.2 Ų109.277%0.76658%0.583SS**  trans-64.5127.7162.727.4-29000107.7I258I258-P260 VanDerWaalsContact O-CD 3.31Å; I258-P260 WeakPolarHBondContact O-CD 3.43Å
261N38.3Very low57.1Low133 Ų133114.3 Ų114.371%0.71162%0.616SS**  trans-8.3131.7173-137.54.6000117.2D259 A263D259-N261 PolarHBondContact O-N 3.4Å; N261-A263 PolarHBondContact O-N 3.19Å
262P38.4Very low54.2Low110 Ų110125.2 Ų125.271%0.71467%0.667SS**G310 helixtrans-68.310.5179.3-1529000116.1S265P262-S265 PolarHBondContact O-OG 2.76Å
263A43Very low52.1Low76 Ų76131.5 Ų131.563%0.62870%0.701SS**G310 helixtrans-82.2-14.4-167.600000114.7N261N261-A263 PolarHBondContact O-N 3.19Å
264D42.8Very low49.7Very low165 Ų165135.4 Ų135.488%0.88272%0.722SS**G310 helixtrans-102.42-175.8-84-27.1000115.2
265S40.5Very low47.2Very low97 Ų97141.7 Ų141.768%0.67876%0.757SS**SBendtrans-92.210.9-179.833.10000115.5P262P262-S265 PolarHBondContact O-OG 2.76Å
266Q42.8Very low44.6Very low183 Ų183148.8 Ų148.886%0.85579%0.793SS**SBendtrans-119.852.9176.7-73.6-169.1-16.500113.4
267K42.9Very low42.8Very low200 Ų200145.4 Ų145.487%0.8778%0.784SS**SBendtrans-147.665.7159.4-78.3-165.4-179.71730112.1
268S45.8Very low41.8Very low108 Ų108143.1 Ų143.176%0.75579%0.791SS**  trans-16864.5163.351.80000113.1
269T40.6Very low40.8Very low140 Ų140147 Ų14786%0.85982%0.815SS**  trans-171.9109.1153.1-6.70000105
270Q35.8Very low40.8Very low185 Ų185147.8 Ų147.886%0.86482%0.821SS**  -153.7134.670-75.4169.9-17.600110.4
271V40.9Very low40.7Very low142 Ų142150.3 Ų150.386%0.86183%0.826SS**  trans-125.1141.3156.4178.70000104.9
272E37.1Very low41Very low264 Ų264151.8 Ų151.8100%1.23484%0.836SS**  trans90.10-173.8-60.7-170.1159.800116.5

Retrieved 272 of 272 residues in 954.1 ms (Link to these results)

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