A0A096NGW9_PAPAN Loading...

Thioredoxin-like protein

Essential role in pre-mRNA splicing. Required in cell cycle progression for S/G(2) transition. Plays role in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A096NGW9, Species PAPAN (Papio anubis, Olive baboon), Gene TXNL4B, Length 149 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
1M37.5Very low81.5Confident217 Ų21788.5 Ų88.5100%1.06947%0.466SS*.  01240-69.9173.8-164.900107.2F3M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 PolarHBondContact O-N 2.76Å
2S46.7Very low82.8Confident110 Ų11095.3 Ų95.377%0.76949%0.489SS*.  trans-79.6108.4169.3510000107.7L4S2-L4 PolarHBondContact O-N 3.01Å
3F57.2Low84Confident105 Ų10593.8 Ų93.846%0.46148%0.479SS..  trans-73.7123.9172.5-81.8-90.2000108.1M1 L5 S46 Y49M1-F3 HydrophobicContact CB-CE2 4.39Å; M1-F3 PolarHBondContact O-N 2.76Å; F3-L5 PolarHBondContact O-N 3.44Å; F3-S46 PolarHBondContact N-OG 3.42Å; F3-S46 PolarHBondContact O-OG 3.27Å; F3-Y49 HydrophobicContact CD1-CD1 4.49Å; F3-Y49 HydrophobicContact CG-CD1 4.37Å
4L82.3Confident85Confident169 Ų16987.1 Ų87.189%0.88545%0.445SS*.  trans-70.9115.2168.7-77.6160.3000107.5S2S2-L4 PolarHBondContact O-N 3.01Å
5L93.1Very high85.9Confident15 Ų1582.9 Ų82.98%0.07942%0.424CS..PPolyproline II helixtrans-69.4137.9175.2-64.2170.3000109.2F3 L45 Y49 I58 L60F3-L5 PolarHBondContact O-N 3.44Å; L5-L45 HydrophobicContact CD1-CB 3.49Å; L5-L45 VanDerWaalsContact CD1-CB 3.49Å; L5-L45 HydrophobicContact CD1-CD1 4.31Å; L5-Y49 HydrophobicContact CD2-CD2 3.58Å; L5-Y49 HydrophobicContact CD2-CE2 4.21Å; L5-Y49 HydrophobicContact CD2-CG 4.22Å; L5-I58 HydrophobicContact CD1-CG2 4.43Å; L5-I58 HydrophobicContact CD2-CB 4.33Å; L5-I58 HydrophobicContact CD2-CG2 4.22Å; L5-L60 HydrophobicContact CB-CD1 3.85Å; L5-L60 HydrophobicContact CB-CD2 4.17Å; L5-L60 HydrophobicContact CB-CG 3.77Å; L5-L60 HydrophobicContact CD1-CD1 4.4Å; L5-L60 HydrophobicContact CD1-CD2 3.76Å; L5-L60 HydrophobicContact CD1-CG 4.28Å
6P96.1Very high86.7Confident48 Ų4884.8 Ų84.831%0.31243%0.43SS..PPolyproline II helixtrans-64.7137178.927.1-34.1000110.6I58 Y59 L60P6-I58 WeakPolarHBondContact CD-O 3.38Å; P6-I58 WeakPolarHBondContact CG-O 3.45Å; P6-Y59 HydrophobicContact CB-CD1 3.68Å; P6-Y59 HydrophobicContact CB-CE1 3.73Å; P6-Y59 HydrophobicContact CG-CD1 3.4Å; P6-Y59 VanDerWaalsContact CG-CD1 3.4Å; P6-Y59 HydrophobicContact CG-CE1 3.5Å; P6-Y59 VanDerWaalsContact CG-CE1 3.5Å; P6-Y59 HydrophobicContact CG-CG 4.04Å; P6-Y59 WeakPolarHBondContact O-CA 3.3Å; P6-L60 PolarHBondContact O-N 3.37Å
7K96.6Very high87.3Confident111 Ų11180.1 Ų80.148%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-102.8138.5178.7-62.3-174.8176.2178.50110.3D33 L60K7-D33 VanDerWaalsContact CE-OD2 3.32Å; K7-D33 WeakPolarHBondContact CE-OD2 3.41Å; K7-D33 VanDerWaalsContact NZ-CG 3.25Å; K7-D33 IonicContact NZ-OD1 3.61Å; K7-D33 IonicContact NZ-OD2 3.57Å; K7-D33 PolarHBondContact NZ-OD2 2.95Å; K7-L60 CarbonylContact C-O 3.55Å; K7-L60 WeakPolarHBondContact CA-O 3.33Å; K7-L60 HydrophobicContact CG-CB 4.16Å; K7-L60 HydrophobicContact CG-CD1 4.26Å
8L97.5Very high88Confident14 Ų1476.6 Ų76.67%0.07339%0.389CS..EExtended strand (participates in β ladder)trans-113.9124.1172.4-48.4-176.3000108.2E13 V14 A17 L28 Y59 L60 V61 D62L8-E13 WeakPolarHBondContact CA-OE2 3.36Å; L8-E13 HydrophobicContact CB-CB 4.12Å; L8-E13 HydrophobicContact CD2-CB 4.17Å; L8-V14 HydrophobicContact CB-CG2 4.13Å; L8-V14 HydrophobicContact CD1-CG2 4.16Å; L8-A17 HydrophobicContact CD1-CB 3.76Å; L8-L28 HydrophobicContact CD1-CD2 4.18Å; L8-Y59 HydrophobicContact CD1-CD1 3.94Å; L8-Y59 HydrophobicContact CD1-CG 4.01Å; L8-Y59 HydrophobicContact CD2-CD1 3.45Å; L8-Y59 VanDerWaalsContact CD2-CD1 3.45Å; L8-Y59 HydrophobicContact CD2-CE1 3.9Å; L8-Y59 HydrophobicContact CD2-CG 4.33Å; L8-Y59 HydrophobicContact CG-CD1 3.72Å; L8-Y59 HydrophobicContact CG-CG 4.16Å; L8-L60 PolarHBondContact N-O 2.87Å; L8-V61 HydrophobicContact CB-CG2 4.37Å; L8-V61 HydrophobicContact CD1-CG2 4.41Å; L8-D62 PolarHBondContact O-N 3.38Å
9T95.6Very high88.5Confident55 Ų5580.9 Ų80.934%0.33741%0.405SS..  trans-121.68.5-172.254.10000112.5E13 Q65T9-E13 PolarHBondContact N-OE2 2.66Å; T9-E13 PolarHBondContact OG1-OE2 2.76Å; T9-Q65 VanDerWaalsContact CB-OE1 3.26Å; T9-Q65 VanDerWaalsContact O-CB 3.23Å; T9-Q65 WeakPolarHBondContact O-CB 3.34Å
10S96.8Very high88.9Confident39 Ų3980.3 Ų80.327%0.27341%0.409SS..SBendtrans-144.8155.7174.672.70000112.9K12 E13 V14S10-K12 PolarHBondContact O-N 2.87Å; S10-E13 PolarHBondContact N-OE2 2.91Å; S10-E13 PolarHBondContact O-N 3.49Å; S10-E13 VanDerWaalsContact O-N 3.1Å; S10-E13 WeakPolarHBondContact OG-CG 3.47Å; S10-E13 PolarHBondContact OG-N 3.06Å; S10-V14 PolarHBondContact O-N 3.38Å; S10-V14 VanDerWaalsContact O-N 3.12Å
11K96.8Very high89.3Confident90 Ų9077.2 Ų77.239%0.39139%0.394SS..Hα-helixtrans-52.9-40173.4-172.6-89.2178.1176.70112.1E13 V14 D15 V68 Y69K11-E13 VanDerWaalsContact C-N 3.33Å; K11-E13 PolarHBondContact O-N 3.11Å; K11-V14 PolarHBondContact O-N 3.32Å; K11-D15 WeakPolarHBondContact CD-OD2 3.36Å; K11-D15 WeakPolarHBondContact CE-OD1 3.26Å; K11-D15 VanDerWaalsContact CE-OD2 3.26Å; K11-D15 WeakPolarHBondContact CE-OD2 3.23Å; K11-D15 IonicContact NZ-OD1 2.77Å; K11-D15 PolarHBondContact NZ-OD1 2.8Å; K11-D15 IonicContact NZ-OD2 3.15Å; K11-D15 PolarHBondContact NZ-OD2 3.21Å; K11-D15 VanDerWaalsContact O-CG 3.31Å; K11-D15 PolarHBondContact O-N 2.91Å; K11-V68 HydrophobicContact CG-CB 4.24Å; K11-V68 HydrophobicContact CG-CG1 4.39Å; K11-Y69 HydrophobicContact CD-CE2 4.49Å; K11-Y69 HydrophobicContact CG-CD2 4.16Å; K11-Y69 HydrophobicContact CG-CE2 3.89Å
12K97.9Very high92.1Very high170 Ų17070 Ų7074%0.73937%0.37SS*.Hα-helixtrans-64.8-38.2-179.2-173.5-177176.1-1750111.9S10 Q16S10-K12 PolarHBondContact O-N 2.87Å; K12-Q16 WeakPolarHBondContact O-CB 3.4Å; K12-Q16 PolarHBondContact O-N 3.01Å
13E98.3Very high94.5Very high77 Ų7771.2 Ų71.236%0.3636%0.363SS..Hα-helixtrans-69.8-41.9177.3-74.8171.7-177.400111.9L8 T9 S10 K11 Q16 A17L8-E13 WeakPolarHBondContact CA-OE2 3.36Å; L8-E13 HydrophobicContact CB-CB 4.12Å; L8-E13 HydrophobicContact CD2-CB 4.17Å; T9-E13 PolarHBondContact N-OE2 2.66Å; T9-E13 PolarHBondContact OG1-OE2 2.76Å; S10-E13 PolarHBondContact N-OE2 2.91Å; S10-E13 PolarHBondContact O-N 3.49Å; S10-E13 VanDerWaalsContact O-N 3.1Å; S10-E13 WeakPolarHBondContact OG-CG 3.47Å; S10-E13 PolarHBondContact OG-N 3.06Å; K11-E13 VanDerWaalsContact C-N 3.33Å; K11-E13 PolarHBondContact O-N 3.11Å; E13-Q16 PolarHBondContact O-N 3.39Å; E13-A17 PolarHBondContact O-N 2.95Å
14V98.3Very high96.4Very high0 Ų069.9 Ų69.90%036%0.357CS..Hα-helixtrans-61.9-46.21741790000110.9L8 S10 K11 Q16 A17 I18 L28 V61 T66 Y69L8-V14 HydrophobicContact CB-CG2 4.13Å; L8-V14 HydrophobicContact CD1-CG2 4.16Å; S10-V14 PolarHBondContact O-N 3.38Å; S10-V14 VanDerWaalsContact O-N 3.12Å; K11-V14 PolarHBondContact O-N 3.32Å; V14-Q16 VanDerWaalsContact C-N 3.28Å; V14-Q16 PolarHBondContact O-N 2.81Å; V14-A17 PolarHBondContact O-N 3Å; V14-I18 HydrophobicContact CG1-CD1 3.86Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3.3Å; V14-L28 HydrophobicContact CG1-CD1 4Å; V14-V61 HydrophobicContact CG2-CG1 3.95Å; V14-V61 HydrophobicContact CG2-CG2 4.39Å; V14-T66 HydrophobicContact CG2-CG2 4.11Å; V14-Y69 HydrophobicContact CB-CD2 3.77Å; V14-Y69 HydrophobicContact CB-CE2 3.65Å; V14-Y69 HydrophobicContact CG1-CD1 4.39Å; V14-Y69 HydrophobicContact CG1-CD2 3.53Å; V14-Y69 HydrophobicContact CG1-CE1 4.29Å; V14-Y69 HydrophobicContact CG1-CE2 3.43Å; V14-Y69 VanDerWaalsContact CG1-CE2 3.43Å; V14-Y69 HydrophobicContact CG1-CG 4.03Å; V14-Y69 HydrophobicContact CG2-CD2 4.33Å
15D98Very high97.2Very high24 Ų2461.8 Ų61.813%0.12832%0.315CS..Hα-helixtrans-54.8-45.7173.4-77.71.9000111.9K11 I18 K19 Y69K11-D15 WeakPolarHBondContact CD-OD2 3.36Å; K11-D15 WeakPolarHBondContact CE-OD1 3.26Å; K11-D15 VanDerWaalsContact CE-OD2 3.26Å; K11-D15 WeakPolarHBondContact CE-OD2 3.23Å; K11-D15 IonicContact NZ-OD1 2.77Å; K11-D15 PolarHBondContact NZ-OD1 2.8Å; K11-D15 IonicContact NZ-OD2 3.15Å; K11-D15 PolarHBondContact NZ-OD2 3.21Å; K11-D15 VanDerWaalsContact O-CG 3.31Å; K11-D15 PolarHBondContact O-N 2.91Å; D15-I18 PolarHBondContact O-N 2.81Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.25Å; D15-K19 WeakPolarHBondContact O-CG 3.25Å; D15-K19 PolarHBondContact O-N 2.76Å; D15-Y69 WeakPolarHBondContact OD1-CE2 3.46Å; D15-Y69 PolarHBondContact OD1-OH 2.67Å
16Q98.3Very high97.5Very high112 Ų11261.2 Ų61.252%0.52331%0.311SS..Hα-helixtrans-65.1-45.1-178-176.86035.100110.3K12 E13 V14 I18 K19 S20K12-Q16 WeakPolarHBondContact O-CB 3.4Å; K12-Q16 PolarHBondContact O-N 3.01Å; E13-Q16 PolarHBondContact O-N 3.39Å; V14-Q16 VanDerWaalsContact C-N 3.28Å; V14-Q16 PolarHBondContact O-N 2.81Å; Q16-I18 VanDerWaalsContact C-N 3.34Å; Q16-I18 PolarHBondContact O-N 2.79Å; Q16-K19 PolarHBondContact O-N 3.27Å; Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 3.14Å; Q16-S20 PolarHBondContact O-OG 3.24Å
17A98.3Very high97.6Very high5 Ų558.9 Ų58.94%0.04130%0.297CS..Hα-helixtrans-59-44.7176.900000111.6L8 E13 V14 K19 T21 L26L8-A17 HydrophobicContact CD1-CB 3.76Å; E13-A17 PolarHBondContact O-N 2.95Å; V14-A17 PolarHBondContact O-N 3Å; A17-K19 VanDerWaalsContact C-N 3.34Å; A17-K19 PolarHBondContact O-N 3.14Å; A17-T21 VanDerWaalsContact O-CB 3.28Å; A17-T21 WeakPolarHBondContact O-CB 3.43Å; A17-T21 PolarHBondContact O-N 2.69Å; A17-T21 VanDerWaalsContact O-N 3.09Å; A17-T21 PolarHBondContact O-OG1 3.09Å; A17-L26 HydrophobicContact CB-CD1 4.3Å; A17-L26 HydrophobicContact CB-CD2 4.2Å
18I98.3Very high97.7Very high17 Ų1753.6 Ų53.69%0.08727%0.274CS..Hα-helixtrans-61.5-41.7176.6-68.3166.8000111.3V14 D15 Q16 L26 L28 Y69 F84V14-I18 HydrophobicContact CG1-CD1 3.86Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3.3Å; D15-I18 PolarHBondContact O-N 2.81Å; Q16-I18 VanDerWaalsContact C-N 3.34Å; Q16-I18 PolarHBondContact O-N 2.79Å; I18-L26 HydrophobicContact CB-CD2 4.29Å; I18-L26 HydrophobicContact CG1-CD2 3.76Å; I18-L28 HydrophobicContact CD1-CD1 4.47Å; I18-L28 HydrophobicContact CG1-CD1 4.38Å; I18-Y69 HydrophobicContact CD1-CE1 4.1Å; I18-F84 HydrophobicContact CD1-CD2 4.49Å; I18-F84 HydrophobicContact CD1-CE1 4.11Å; I18-F84 HydrophobicContact CD1-CE2 3.9Å; I18-F84 HydrophobicContact CD1-CZ 3.65Å; I18-F84 HydrophobicContact CG1-CD1 4.41Å; I18-F84 HydrophobicContact CG1-CD2 4.23Å; I18-F84 HydrophobicContact CG1-CE1 4.32Å; I18-F84 HydrophobicContact CG1-CE2 4.14Å; I18-F84 HydrophobicContact CG1-CG 4.35Å; I18-F84 HydrophobicContact CG1-CZ 4.15Å; I18-F84 HydrophobicContact CG2-CD1 4.01Å; I18-F84 HydrophobicContact CG2-CE1 4.04Å
19K97.8Very high97.8Very high159 Ų15953 Ų5369%0.69127%0.27SS*.Hα-helixtrans-76.7-36.2-178-72171.9-175.3175.90113.7D15 Q16 A17D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.25Å; D15-K19 WeakPolarHBondContact O-CG 3.25Å; D15-K19 PolarHBondContact O-N 2.76Å; Q16-K19 PolarHBondContact O-N 3.27Å; A17-K19 VanDerWaalsContact C-N 3.34Å; A17-K19 PolarHBondContact O-N 3.14Å
20S97.3Very high97.9Very high68 Ų6850.4 Ų50.448%0.47625%0.254SS..Hα-helixtrans-93-17.4-172.4680000114.1Q16 A22Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 3.14Å; Q16-S20 PolarHBondContact O-OG 3.24Å; S20-A22 PolarHBondContact O-N 2.91Å; S20-A22 VanDerWaalsContact O-N 3.14Å
21T97.8Very high98Very high16 Ų1648.5 Ų48.510%0.09824%0.241CC..  trans-78.3101178.2-53.30000109.8A17 K24 L26 A57A17-T21 VanDerWaalsContact O-CB 3.28Å; A17-T21 WeakPolarHBondContact O-CB 3.43Å; A17-T21 PolarHBondContact O-N 2.69Å; A17-T21 VanDerWaalsContact O-N 3.09Å; A17-T21 PolarHBondContact O-OG1 3.09Å; T21-K24 HydrophobicContact CG2-CB 4.1Å; T21-L26 HydrophobicContact CG2-CB 3.95Å; T21-A57 HydrophobicContact CG2-CB 4.05Å
22A95.8Very high97.9Very high67 Ų6748.4 Ų48.455%0.55424%0.238SC*.  trans-103.3144.3175.800000111.3S20 K24 N86S20-A22 PolarHBondContact O-N 2.91Å; S20-A22 VanDerWaalsContact O-N 3.14Å; A22-K24 PolarHBondContact O-N 2.82Å; A22-N86 WeakPolarHBondContact CA-OD1 3.35Å
23E96.1Very high97.6Very high134 Ų13442.9 Ų42.963%0.62622%0.217SC*.SBendtrans5522.7172.7-54.8-170.5132.100115N86 Y120E23-N86 PolarHBondContact N-OD1 3.02Å; E23-Y120 WeakPolarHBondContact O-CE2 3.48Å
24K98.5Very high97.3Very high77 Ų7746 Ų4634%0.33523%0.231SC..SBendtrans-140.5152.8175.4-66.6-172.6-173.5-177.50110.4T21 A22 L26 S53 M55 F85T21-K24 HydrophobicContact CG2-CB 4.1Å; A22-K24 PolarHBondContact O-N 2.82Å; K24-L26 PolarHBondContact O-N 3.01Å; K24-S53 WeakPolarHBondContact CE-O 3.11Å; K24-S53 PolarHBondContact NZ-O 3.26Å; K24-M55 CarbonylContact C-O 3.59Å; K24-M55 WeakPolarHBondContact CA-O 3.42Å; K24-F85 VanDerWaalsContact C-CD2 3.46Å; K24-F85 WeakPolarHBondContact O-CD2 3.44Å
25V98.8Very high97.2Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-71111.9168.3-1760000108.2V27 M55 A56 A57 F83 F84 F85 I116 I119 Y120V25-V27 HydrophobicContact CG1-CG2 4.1Å; V25-M55 PolarHBondContact N-O 3.35Å; V25-A56 HydrophobicContact CB-CB 4.26Å; V25-A56 CarbonylContact O-C 3.51Å; V25-A56 WeakPolarHBondContact O-CA 3.4Å; V25-A56 WeakPolarHBondContact O-CB 3.29Å; V25-A57 PolarHBondContact O-N 3.43Å; V25-F83 HydrophobicContact CG1-CB 4.31Å; V25-F83 HydrophobicContact CG1-CD1 4.04Å; V25-F84 CarbonylContact C-O 3.49Å; V25-F84 WeakPolarHBondContact CA-O 3.34Å; V25-F85 HydrophobicContact CG2-CD2 4.16Å; V25-I116 HydrophobicContact CG1-CD1 4.18Å; V25-I119 HydrophobicContact CB-CG2 4.48Å; V25-I119 HydrophobicContact CG1-CG2 3.82Å; V25-I119 HydrophobicContact CG2-CB 4.25Å; V25-I119 HydrophobicContact CG2-CG2 3.76Å; V25-Y120 HydrophobicContact CG2-CD2 4.22Å
26L98.9Very high97Very high2 Ų250.8 Ų50.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-76.7121.2166.7173.364.9000108.4A17 I18 T21 K24 L28 A57 Y59 F83 F84A17-L26 HydrophobicContact CB-CD1 4.3Å; A17-L26 HydrophobicContact CB-CD2 4.2Å; I18-L26 HydrophobicContact CB-CD2 4.29Å; I18-L26 HydrophobicContact CG1-CD2 3.76Å; T21-L26 HydrophobicContact CG2-CB 3.95Å; K24-L26 PolarHBondContact O-N 3.01Å; L26-L28 HydrophobicContact CD1-CD2 3.85Å; L26-L28 HydrophobicContact CD1-CG 4.48Å; L26-L28 HydrophobicContact CD2-CD1 4.35Å; L26-L28 HydrophobicContact CD2-CD2 4.16Å; L26-L28 HydrophobicContact CD2-CG 4.27Å; L26-L28 HydrophobicContact CG-CD2 3.94Å; L26-L28 HydrophobicContact CG-CG 4.05Å; L26-A57 WeakPolarHBondContact CA-O 3.35Å; L26-Y59 HydrophobicContact CD1-CD2 3.45Å; L26-Y59 VanDerWaalsContact CD1-CD2 3.45Å; L26-Y59 HydrophobicContact CD1-CE2 3.74Å; L26-F83 CarbonylContact O-C 3.55Å; L26-F83 WeakPolarHBondContact O-CA 3.25Å; L26-F84 HydrophobicContact CB-CB 4.01Å; L26-F84 HydrophobicContact CD2-CB 4.2Å; L26-F84 HydrophobicContact CG-CB 4.49Å; L26-F84 PolarHBondContact N-O 3.44Å; L26-F84 PolarHBondContact O-N 2.93Å
27V98.8Very high96.9Very high0 Ų047.6 Ų47.60%025%0.25CC..EExtended strand (participates in β ladder)trans-108117.7178.1-1750000108.2V25 A56 A57 I58 Y59 T81 F83 F112 I116V25-V27 HydrophobicContact CG1-CG2 4.1Å; V27-A56 HydrophobicContact CG2-CB 4.21Å; V27-A57 PolarHBondContact N-O 3.24Å; V27-I58 HydrophobicContact CB-CB 4.44Å; V27-I58 HydrophobicContact CB-CG1 4.15Å; V27-I58 HydrophobicContact CB-CG2 4.37Å; V27-I58 HydrophobicContact CG1-CG2 4.42Å; V27-I58 HydrophobicContact CG2-CG1 4.24Å; V27-Y59 PolarHBondContact O-N 3.4Å; V27-T81 HydrophobicContact CG1-CG2 3.48Å; V27-T81 VanDerWaalsContact CG1-CG2 3.48Å; V27-F83 HydrophobicContact CG1-CD1 4.34Å; V27-F83 HydrophobicContact CG1-CE1 3.95Å; V27-F83 HydrophobicContact CG2-CD1 4.09Å; V27-F83 HydrophobicContact CG2-CE1 4.19Å; V27-F112 HydrophobicContact CG1-CE2 4.32Å; V27-F112 HydrophobicContact CG1-CZ 4.28Å; V27-F112 HydrophobicContact CG2-CZ 4.49Å; V27-I116 HydrophobicContact CG2-CD1 3.47Å; V27-I116 VanDerWaalsContact CG2-CD1 3.47Å
28L98.8Very high96.8Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-112.8106.1178.7-60.7-179.1000109.6L8 V14 I18 L26 F30 V61 T81 V82 F84L8-L28 HydrophobicContact CD1-CD2 4.18Å; V14-L28 HydrophobicContact CG1-CD1 4Å; I18-L28 HydrophobicContact CD1-CD1 4.47Å; I18-L28 HydrophobicContact CG1-CD1 4.38Å; L26-L28 HydrophobicContact CD1-CD2 3.85Å; L26-L28 HydrophobicContact CD1-CG 4.48Å; L26-L28 HydrophobicContact CD2-CD1 4.35Å; L26-L28 HydrophobicContact CD2-CD2 4.16Å; L26-L28 HydrophobicContact CD2-CG 4.27Å; L26-L28 HydrophobicContact CG-CD2 3.94Å; L26-L28 HydrophobicContact CG-CG 4.05Å; L28-F30 HydrophobicContact CB-CD2 4.31Å; L28-F30 HydrophobicContact CB-CE2 3.76Å; L28-F30 HydrophobicContact CD1-CE2 4.34Å; L28-F30 HydrophobicContact CD1-CZ 4.48Å; L28-F30 PolarHBondContact O-N 3.33Å; L28-V61 HydrophobicContact CB-CG2 4.07Å; L28-V61 HydrophobicContact CD2-CG2 4.04Å; L28-T81 WeakPolarHBondContact O-CA 3.39Å; L28-V82 PolarHBondContact N-O 3.39Å; L28-V82 PolarHBondContact O-N 2.8Å; L28-F84 HydrophobicContact CD1-CD2 4.19Å; L28-F84 HydrophobicContact CD1-CE2 4.07Å
29R98.5Very high96.7Very high1 Ų151.1 Ų51.10%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-86.9103.5174-172-80.2-73.5153.9-8.1109.3G31 D33 L41 D42 L45 Y59 L60 V61 P79R29-G31 VanDerWaalsContact NH1-C 3.31Å; R29-D33 IonicContact NH2-OD1 2.64Å; R29-D33 PolarHBondContact NH2-OD1 3.45Å; R29-L41 HydrophobicContact CG-CD2 3.53Å; R29-L41 HydrophobicContact CG-CG 4.26Å; R29-D42 IonicContact CZ-OD1 3.68Å; R29-D42 IonicContact CZ-OD2 3.23Å; R29-D42 IonicContact NE-OD1 2.77Å; R29-D42 PolarHBondContact NE-OD1 2.99Å; R29-D42 IonicContact NE-OD2 3.62Å; R29-D42 VanDerWaalsContact NH2-CG 3.3Å; R29-D42 IonicContact NH2-OD1 2.74Å; R29-D42 PolarHBondContact NH2-OD1 2.77Å; R29-D42 VanDerWaalsContact NH2-OD1 3.15Å; R29-D42 IonicContact NH2-OD2 2.6Å; R29-D42 PolarHBondContact NH2-OD2 3.25Å; R29-L45 HydrophobicContact CB-CD1 3.96Å; R29-L45 HydrophobicContact CG-CD1 4.08Å; R29-Y59 PolarHBondContact N-O 3.09Å; R29-L60 HydrophobicContact CB-CD2 4.05Å; R29-L60 HydrophobicContact CG-CD2 4.49Å; R29-V61 PolarHBondContact O-N 3.49Å; R29-P79 HydrophobicContact CG-CB 4.25Å
30F98.6Very high96.6Very high0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-80.2122.8171.5-69.8-96.5000109.9L28 V61 V63 F73 I75 P79 S80 V82L28-F30 HydrophobicContact CB-CD2 4.31Å; L28-F30 HydrophobicContact CB-CE2 3.76Å; L28-F30 HydrophobicContact CD1-CE2 4.34Å; L28-F30 HydrophobicContact CD1-CZ 4.48Å; L28-F30 PolarHBondContact O-N 3.33Å; F30-V61 WeakPolarHBondContact CA-O 3.28Å; F30-V61 HydrophobicContact CD1-CB 3.95Å; F30-V61 HydrophobicContact CD1-CG1 3.69Å; F30-V61 HydrophobicContact CE1-CB 4.07Å; F30-V61 HydrophobicContact CE1-CG1 3.52Å; F30-V61 HydrophobicContact CG-CB 4.24Å; F30-V61 HydrophobicContact CG-CG1 4.47Å; F30-V61 HydrophobicContact CZ-CB 4.46Å; F30-V61 HydrophobicContact CZ-CG1 4.18Å; F30-V63 HydrophobicContact CB-CG1 3.74Å; F30-V63 HydrophobicContact CD1-CG1 4.3Å; F30-F73 HydrophobicContact CE2-CD2 4.3Å; F30-F73 HydrophobicContact CZ-CD2 4.09Å; F30-F73 HydrophobicContact CZ-CE2 4.32Å; F30-I75 HydrophobicContact CB-CD1 4.42Å; F30-I75 HydrophobicContact CB-CG1 4.41Å; F30-I75 HydrophobicContact CB-CG2 4.21Å; F30-I75 HydrophobicContact CD1-CG1 4.44Å; F30-I75 HydrophobicContact CD2-CD1 4.46Å; F30-I75 HydrophobicContact CG-CD1 4.36Å; F30-I75 HydrophobicContact CG-CG1 4.33Å; F30-P79 WeakPolarHBondContact O-CA 3.48Å; F30-S80 WeakPolarHBondContact CA-O 3.11Å; F30-S80 WeakPolarHBondContact CB-O 3.05Å; F30-S80 PolarHBondContact N-O 2.7Å; F30-S80 PolarHBondContact O-N 2.91Å; F30-V82 HydrophobicContact CD2-CG2 4.11Å; F30-V82 HydrophobicContact CE2-CB 4.12Å; F30-V82 HydrophobicContact CE2-CG2 3.91Å
31G98Very high96.6Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans179.7-164174.700000113.5R29 V61 V63R29-G31 VanDerWaalsContact NH1-C 3.31Å; G31-V61 PolarHBondContact N-O 2.9Å; G31-V63 PolarHBondContact O-N 3.44Å
32R96Very high96.6Very high87 Ų8746.2 Ų46.233%0.32824%0.239SC..  trans-118.4144.7174.6-63.2-178.1-176.1102.26.3109.3E34 D35 C38 V63 D64 I78R32-E34 VanDerWaalsContact C-N 3.29Å; R32-E34 PolarHBondContact O-N 3.27Å; R32-D35 HydrophobicContact CB-CB 4.29Å; R32-D35 PolarHBondContact O-N 2.91Å; R32-C38 WeakPolarHBondContact O-CB 3.41Å; R32-V63 HydrophobicContact CG-CG2 3.88Å; R32-D64 IonicContact CZ-OD1 2.93Å; R32-D64 IonicContact CZ-OD2 2.67Å; R32-D64 IonicContact NE-OD1 3.5Å; R32-D64 IonicContact NE-OD2 3.56Å; R32-D64 PolarHBondContact NE-OD2 2.95Å; R32-D64 IonicContact NH2-OD1 3.61Å; R32-D64 PolarHBondContact NH2-OD1 2.84Å; R32-D64 IonicContact NH2-OD2 2.67Å; R32-I78 HydrophobicContact CB-CD1 4.2Å; R32-I78 HydrophobicContact CG-CD1 3.97Å
33D90.9Very high96.6Very high54 Ų5446.8 Ų46.829%0.28923%0.233SC..THydrogen-bonded Turntrans-73.2-25.6-173.4-65-35.5000112.7K7 R29 L39K7-D33 VanDerWaalsContact CE-OD2 3.32Å; K7-D33 WeakPolarHBondContact CE-OD2 3.41Å; K7-D33 VanDerWaalsContact NZ-CG 3.25Å; K7-D33 IonicContact NZ-OD1 3.61Å; K7-D33 IonicContact NZ-OD2 3.57Å; K7-D33 PolarHBondContact NZ-OD2 2.95Å; R29-D33 IonicContact NH2-OD1 2.64Å; R29-D33 PolarHBondContact NH2-OD1 3.45Å; D33-L39 WeakPolarHBondContact O-CD2 3.31Å; D33-L39 VanDerWaalsContact O-CG 3.29Å; D33-L39 WeakPolarHBondContact O-CG 3.46Å
34E91.8Very high96.6Very high142 Ų14241.1 Ų41.166%0.66421%0.207SC*.THydrogen-bonded Turntrans-84.8-9.4176.364.8-89.1-155.900113.7R32 P36R32-E34 VanDerWaalsContact C-N 3.29Å; R32-E34 PolarHBondContact O-N 3.27Å; E34-P36 WeakPolarHBondContact O-CD 3.37Å
35D95.3Very high96.6Very high38 Ų3837.5 Ų37.520%0.20319%0.191CC..  trans-71.1126.2178.9174.9-96.8000110.6R32 V37 C38 L39 I78R32-D35 HydrophobicContact CB-CB 4.29Å; R32-D35 PolarHBondContact O-N 2.91Å; D35-V37 VanDerWaalsContact C-N 3.28Å; D35-V37 PolarHBondContact O-N 2.74Å; D35-V37 WeakPolarHBondContact OD1-CA 3.46Å; D35-V37 WeakPolarHBondContact OD1-CB 3.34Å; D35-V37 PolarHBondContact OD1-N 3.23Å; D35-C38 HydrophobicContact CB-CB 3.91Å; D35-C38 WeakPolarHBondContact O-CB 3.36Å; D35-C38 PolarHBondContact O-N 2.94Å; D35-C38 PolarHBondContact OD1-N 3.42Å; D35-C38 PolarHBondContact OD1-SG 3.4Å; D35-L39 PolarHBondContact O-N 2.86Å; D35-I78 HydrophobicContact CB-CD1 4.08Å
36P95.1Very high96.5Very high87 Ų8738.5 Ų38.557%0.56520%0.198SC*.Hα-helixtrans-59.6-33.9-175.8-26.935.1000114.5E34 Q40E34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-Q40 WeakPolarHBondContact O-CG 3.24Å; P36-Q40 PolarHBondContact O-N 3.35Å; P36-Q40 VanDerWaalsContact O-N 3.17Å
37V95.8Very high96.4Very high46 Ų4643.8 Ų43.828%0.27922%0.221SC..Hα-helixtrans-78.3-36.1-179.4-171.70000110.2D35 Q40 L41 P79D35-V37 VanDerWaalsContact C-N 3.28Å; D35-V37 PolarHBondContact O-N 2.74Å; D35-V37 WeakPolarHBondContact OD1-CA 3.46Å; D35-V37 WeakPolarHBondContact OD1-CB 3.34Å; D35-V37 PolarHBondContact OD1-N 3.23Å; V37-Q40 PolarHBondContact O-N 3.43Å; V37-L41 PolarHBondContact O-N 2.92Å; V37-P79 VanDerWaalsContact CG1-CD 3.47Å; V37-P79 HydrophobicContact CG1-CG 4.03Å
38C96.6Very high96.3Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-60.3-44.1170-64.10000111.2R32 D35 Q40 L41 D42R32-C38 WeakPolarHBondContact O-CB 3.41Å; D35-C38 HydrophobicContact CB-CB 3.91Å; D35-C38 WeakPolarHBondContact O-CB 3.36Å; D35-C38 PolarHBondContact O-N 2.94Å; D35-C38 PolarHBondContact OD1-N 3.42Å; D35-C38 PolarHBondContact OD1-SG 3.4Å; C38-Q40 VanDerWaalsContact C-N 3.33Å; C38-Q40 PolarHBondContact O-N 2.86Å; C38-L41 PolarHBondContact O-N 3.22Å; C38-D42 WeakPolarHBondContact O-CB 3.19Å; C38-D42 PolarHBondContact O-N 3.49Å
39L95.9Very high96.2Very high95 Ų9547.5 Ų47.550%0.49724%0.236SC..Hα-helixtrans-60.7-40175.7-74.8171.6000112.8D33 D35 D42 D43D33-L39 WeakPolarHBondContact O-CD2 3.31Å; D33-L39 VanDerWaalsContact O-CG 3.29Å; D33-L39 WeakPolarHBondContact O-CG 3.46Å; D35-L39 PolarHBondContact O-N 2.86Å; L39-D42 PolarHBondContact O-N 2.78Å; L39-D43 PolarHBondContact O-N 3.05Å; L39-D43 VanDerWaalsContact O-N 3.12Å
40Q95.5Very high96Very high121 Ų12150.9 Ų50.957%0.56526%0.26SS*.Hα-helixtrans-63.2-44.2174.8-72.91746.800111.8P36 V37 C38 I44P36-Q40 WeakPolarHBondContact O-CG 3.24Å; P36-Q40 PolarHBondContact O-N 3.35Å; P36-Q40 VanDerWaalsContact O-N 3.17Å; V37-Q40 PolarHBondContact O-N 3.43Å; C38-Q40 VanDerWaalsContact C-N 3.33Å; C38-Q40 PolarHBondContact O-N 2.86Å; Q40-I44 PolarHBondContact O-N 3.42Å
41L97.3Very high95.9Very high0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-65.2-44.8176.9177.957.1000111.1R29 V37 C38 D43 I44 L45 P79 S105 F106R29-L41 HydrophobicContact CG-CD2 3.53Å; R29-L41 HydrophobicContact CG-CG 4.26Å; V37-L41 PolarHBondContact O-N 2.92Å; C38-L41 PolarHBondContact O-N 3.22Å; L41-D43 VanDerWaalsContact C-N 3.28Å; L41-D43 PolarHBondContact O-N 2.83Å; L41-I44 WeakPolarHBondContact O-CA 3.5Å; L41-I44 WeakPolarHBondContact O-CB 3.4Å; L41-I44 PolarHBondContact O-N 3.42Å; L41-L45 HydrophobicContact CD1-CD1 4.45Å; L41-L45 HydrophobicContact CD1-CD2 4.25Å; L41-L45 HydrophobicContact CD1-CG 4.08Å; L41-L45 HydrophobicContact CG-CD1 4.03Å; L41-L45 HydrophobicContact CG-CG 4.13Å; L41-L45 WeakPolarHBondContact O-CG 3.4Å; L41-L45 PolarHBondContact O-N 2.98Å; L41-P79 HydrophobicContact CB-CG 4.24Å; L41-P79 HydrophobicContact CD2-CB 3.62Å; L41-P79 HydrophobicContact CD2-CG 3.69Å; L41-S105 WeakPolarHBondContact CA-OG 3.34Å; L41-S105 PolarHBondContact N-OG 2.87Å; L41-F106 HydrophobicContact CD1-CD2 3.49Å; L41-F106 VanDerWaalsContact CD1-CD2 3.49Å; L41-F106 HydrophobicContact CD1-CE2 3.83Å
42D97.2Very high95.9Very high20 Ų2056.1 Ų56.111%0.10729%0.288CS..Hα-helixtrans-60.6-35.9-179.1-73.8-1.9000112.8R29 C38 L39 L45 S46 L60R29-D42 IonicContact CZ-OD1 3.68Å; R29-D42 IonicContact CZ-OD2 3.23Å; R29-D42 IonicContact NE-OD1 2.77Å; R29-D42 PolarHBondContact NE-OD1 2.99Å; R29-D42 IonicContact NE-OD2 3.62Å; R29-D42 VanDerWaalsContact NH2-CG 3.3Å; R29-D42 IonicContact NH2-OD1 2.74Å; R29-D42 PolarHBondContact NH2-OD1 2.77Å; R29-D42 VanDerWaalsContact NH2-OD1 3.15Å; R29-D42 IonicContact NH2-OD2 2.6Å; R29-D42 PolarHBondContact NH2-OD2 3.25Å; C38-D42 WeakPolarHBondContact O-CB 3.19Å; C38-D42 PolarHBondContact O-N 3.49Å; L39-D42 PolarHBondContact O-N 2.78Å; D42-L45 PolarHBondContact O-N 3.44Å; D42-S46 VanDerWaalsContact O-CB 3.25Å; D42-S46 WeakPolarHBondContact O-CB 3.5Å; D42-S46 PolarHBondContact O-N 2.98Å; D42-L60 WeakPolarHBondContact OD1-CD2 3.35Å
43D96.3Very high95.9Very high78 Ų7854.2 Ų54.242%0.41729%0.288SS..Hα-helixtrans-62.6-41.5172.7179.169.7000111.7L39 L41 K47L39-D43 PolarHBondContact O-N 3.05Å; L39-D43 VanDerWaalsContact O-N 3.12Å; L41-D43 VanDerWaalsContact C-N 3.28Å; L41-D43 PolarHBondContact O-N 2.83Å; D43-K47 VanDerWaalsContact O-CB 3.31Å; D43-K47 WeakPolarHBondContact O-CB 3.36Å; D43-K47 VanDerWaalsContact O-CG 3.25Å; D43-K47 WeakPolarHBondContact O-CG 3.47Å; D43-K47 PolarHBondContact O-N 2.89Å; D43-K47 WeakPolarHBondContact OD1-CE 3.34Å; D43-K47 IonicContact OD1-NZ 3.11Å; D43-K47 PolarHBondContact OD1-NZ 2.98Å; D43-K47 WeakPolarHBondContact OD2-CE 3.47Å; D43-K47 IonicContact OD2-NZ 2.76Å; D43-K47 PolarHBondContact OD2-NZ 3.35Å
44I97.1Very high96.2Very high16 Ų1659.9 Ų59.98%0.08231%0.31CS..Hα-helixtrans-64.3-48.4174.5-67.7173.6000110.7Q40 L41 S46 K47 T48 F106 K109 F112Q40-I44 PolarHBondContact O-N 3.42Å; L41-I44 WeakPolarHBondContact O-CA 3.5Å; L41-I44 WeakPolarHBondContact O-CB 3.4Å; L41-I44 PolarHBondContact O-N 3.42Å; I44-S46 PolarHBondContact O-N 3.46Å; I44-K47 PolarHBondContact O-N 3.2Å; I44-T48 HydrophobicContact CG2-CG2 4.48Å; I44-T48 WeakPolarHBondContact O-CB 3.47Å; I44-T48 WeakPolarHBondContact O-CG2 3.44Å; I44-T48 PolarHBondContact O-N 3.23Å; I44-T48 PolarHBondContact O-OG1 2.78Å; I44-F106 HydrophobicContact CD1-CB 4.01Å; I44-F106 WeakPolarHBondContact CD1-O 3.36Å; I44-K109 HydrophobicContact CG1-CG 4.45Å; I44-K109 HydrophobicContact CG2-CG 4.29Å; I44-F112 HydrophobicContact CG2-CB 3.98Å; I44-F112 HydrophobicContact CG2-CD1 4.33Å; I44-F112 HydrophobicContact CG2-CG 4.36Å
45L97.8Very high96.5Very high0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-59.8-45179.4-65.9-178.1000111.3L5 R29 L41 D42 T48 Y49 I58 L60 F112L5-L45 HydrophobicContact CD1-CB 3.49Å; L5-L45 VanDerWaalsContact CD1-CB 3.49Å; L5-L45 HydrophobicContact CD1-CD1 4.31Å; R29-L45 HydrophobicContact CB-CD1 3.96Å; R29-L45 HydrophobicContact CG-CD1 4.08Å; L41-L45 HydrophobicContact CD1-CD1 4.45Å; L41-L45 HydrophobicContact CD1-CD2 4.25Å; L41-L45 HydrophobicContact CD1-CG 4.08Å; L41-L45 HydrophobicContact CG-CD1 4.03Å; L41-L45 HydrophobicContact CG-CG 4.13Å; L41-L45 WeakPolarHBondContact O-CG 3.4Å; L41-L45 PolarHBondContact O-N 2.98Å; D42-L45 PolarHBondContact O-N 3.44Å; L45-T48 PolarHBondContact O-N 3.01Å; L45-T48 PolarHBondContact O-OG1 3.44Å; L45-Y49 WeakPolarHBondContact O-CB 3.25Å; L45-Y49 PolarHBondContact O-N 3.45Å; L45-I58 HydrophobicContact CB-CG2 4.21Å; L45-I58 HydrophobicContact CD1-CG2 4Å; L45-I58 HydrophobicContact CD2-CD1 4.49Å; L45-I58 HydrophobicContact CD2-CG2 4.22Å; L45-I58 HydrophobicContact CG-CG2 4.37Å; L45-L60 HydrophobicContact CD1-CD2 4.12Å; L45-F112 HydrophobicContact CD2-CD1 4.07Å; L45-F112 HydrophobicContact CD2-CD2 4.22Å; L45-F112 HydrophobicContact CD2-CE1 3.44Å; L45-F112 VanDerWaalsContact CD2-CE1 3.44Å; L45-F112 HydrophobicContact CD2-CE2 3.63Å; L45-F112 HydrophobicContact CD2-CG 4.42Å; L45-F112 HydrophobicContact CD2-CZ 3.2Å
46S96.7Very high96.6Very high22 Ų2253.5 Ų53.515%0.15428%0.28CS..Hα-helixtrans-65.4-42.2179.1-175.30000111.7F3 D42 I44 T48 Y49F3-S46 PolarHBondContact N-OG 3.42Å; F3-S46 PolarHBondContact O-OG 3.27Å; D42-S46 VanDerWaalsContact O-CB 3.25Å; D42-S46 WeakPolarHBondContact O-CB 3.5Å; D42-S46 PolarHBondContact O-N 2.98Å; I44-S46 PolarHBondContact O-N 3.46Å; S46-T48 VanDerWaalsContact C-N 3.32Å; S46-T48 PolarHBondContact O-N 3.42Å; S46-Y49 WeakPolarHBondContact O-CB 3.42Å; S46-Y49 PolarHBondContact O-N 3.3Å
47K96.4Very high96.8Very high112 Ų11250.2 Ų50.249%0.48726%0.26SS..Hα-helixtrans-70.4-24.8-180-76.4172.8178.7161.80114D43 I44 K109D43-K47 VanDerWaalsContact O-CB 3.31Å; D43-K47 WeakPolarHBondContact O-CB 3.36Å; D43-K47 VanDerWaalsContact O-CG 3.25Å; D43-K47 WeakPolarHBondContact O-CG 3.47Å; D43-K47 PolarHBondContact O-N 2.89Å; D43-K47 WeakPolarHBondContact OD1-CE 3.34Å; D43-K47 IonicContact OD1-NZ 3.11Å; D43-K47 PolarHBondContact OD1-NZ 2.98Å; D43-K47 WeakPolarHBondContact OD2-CE 3.47Å; D43-K47 IonicContact OD2-NZ 2.76Å; D43-K47 PolarHBondContact OD2-NZ 3.35Å; I44-K47 PolarHBondContact O-N 3.2Å; K47-K109 HydrophobicContact CB-CD 3.68Å; K47-K109 HydrophobicContact CD-CD 4.07Å; K47-K109 HydrophobicContact CG-CD 4.5Å
48T97.3Very high96.9Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-100.2-9.4-179.655.70000113.1I44 L45 S46 S50 D51 L52 K109 F112 I113I44-T48 HydrophobicContact CG2-CG2 4.48Å; I44-T48 WeakPolarHBondContact O-CB 3.47Å; I44-T48 WeakPolarHBondContact O-CG2 3.44Å; I44-T48 PolarHBondContact O-N 3.23Å; I44-T48 PolarHBondContact O-OG1 2.78Å; L45-T48 PolarHBondContact O-N 3.01Å; L45-T48 PolarHBondContact O-OG1 3.44Å; S46-T48 VanDerWaalsContact C-N 3.32Å; S46-T48 PolarHBondContact O-N 3.42Å; T48-S50 VanDerWaalsContact C-N 3.32Å; T48-S50 PolarHBondContact O-N 3.11Å; T48-D51 PolarHBondContact O-N 2.91Å; T48-D51 VanDerWaalsContact O-N 3.14Å; T48-L52 WeakPolarHBondContact O-CB 3.36Å; T48-L52 PolarHBondContact O-N 2.85Å; T48-K109 HydrophobicContact CG2-CB 3.71Å; T48-K109 HydrophobicContact CG2-CD 4.3Å; T48-K109 HydrophobicContact CG2-CG 4.08Å; T48-F112 HydrophobicContact CG2-CD1 4.28Å; T48-F112 VanDerWaalsContact OG1-CD1 3.23Å; T48-F112 WeakPolarHBondContact OG1-CD1 3.5Å; T48-F112 WeakPolarHBondContact OG1-CE1 3.36Å; T48-I113 HydrophobicContact CG2-CD1 3.89Å; T48-I113 HydrophobicContact CG2-CG1 3.87Å
49Y95.9Very high97Very high78 Ų7851 Ų5131%0.30626%0.259SS..Hα-helixtrans-51.1-46.6-177.4-177.6-93.7000113.4F3 L5 L45 S46 S53 I58F3-Y49 HydrophobicContact CD1-CD1 4.49Å; F3-Y49 HydrophobicContact CG-CD1 4.37Å; L5-Y49 HydrophobicContact CD2-CD2 3.58Å; L5-Y49 HydrophobicContact CD2-CE2 4.21Å; L5-Y49 HydrophobicContact CD2-CG 4.22Å; L45-Y49 WeakPolarHBondContact O-CB 3.25Å; L45-Y49 PolarHBondContact O-N 3.45Å; S46-Y49 WeakPolarHBondContact O-CB 3.42Å; S46-Y49 PolarHBondContact O-N 3.3Å; Y49-S53 WeakPolarHBondContact O-CB 3.36Å; Y49-S53 PolarHBondContact O-N 3.15Å; Y49-I58 HydrophobicContact CD2-CB 4.33Å; Y49-I58 HydrophobicContact CD2-CD1 4.25Å
50S95Very high97.1Very high73 Ų7346.9 Ų46.951%0.5124%0.237SC..Hα-helixtrans-63-47.8-180178.40000111.8T48 L52 S53T48-S50 VanDerWaalsContact C-N 3.32Å; T48-S50 PolarHBondContact O-N 3.11Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.14Å; S50-S53 WeakPolarHBondContact O-CB 3.33Å; S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 PolarHBondContact O-OG 3.05Å
51D96.1Very high97.3Very high109 Ų10941.2 Ų41.258%0.58321%0.211SC*.Hα-helixtrans-66.6-34.5-175.2-58.1-24.1000111.2T48T48-D51 PolarHBondContact O-N 2.91Å; T48-D51 VanDerWaalsContact O-N 3.14Å
52L97.7Very high97.2Very high1 Ų142.9 Ų42.91%0.00522%0.22CC..Hα-helixtrans-91.5-5.1-179.3-65.1175.7000114.2T48 S50 K54 M55 A56 F112 I113 I116T48-L52 WeakPolarHBondContact O-CB 3.36Å; T48-L52 PolarHBondContact O-N 2.85Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.14Å; L52-K54 PolarHBondContact O-N 3.42Å; L52-M55 HydrophobicContact CD2-CE 3.74Å; L52-M55 CarbonylContact O-C 3.51Å; L52-M55 PolarHBondContact O-N 2.84Å; L52-A56 HydrophobicContact CB-CB 4.38Å; L52-A56 PolarHBondContact O-N 3.4Å; L52-F112 HydrophobicContact CD1-CD1 3.69Å; L52-F112 HydrophobicContact CD1-CE1 3.36Å; L52-F112 HydrophobicContact CD1-CZ 4.16Å; L52-I113 HydrophobicContact CD1-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CB 4.32Å; L52-I113 HydrophobicContact CD2-CG1 4.15Å; L52-I113 HydrophobicContact CD2-CG2 4.09Å; L52-I113 HydrophobicContact CG-CG1 4.17Å; L52-I116 HydrophobicContact CD1-CB 4.25Å; L52-I116 HydrophobicContact CD1-CG1 4.07Å; L52-I116 HydrophobicContact CD1-CG2 4.34Å; L52-I116 HydrophobicContact CD2-CB 4.12Å; L52-I116 HydrophobicContact CD2-CG2 3.86Å
53S96Very high97.2Very high47 Ų4742.3 Ų42.333%0.32922%0.217SC..THydrogen-bonded Turntrans-55.3-24.6-17261.30000115.2K24 Y49 S50K24-S53 WeakPolarHBondContact CE-O 3.11Å; K24-S53 PolarHBondContact NZ-O 3.26Å; Y49-S53 WeakPolarHBondContact O-CB 3.36Å; Y49-S53 PolarHBondContact O-N 3.15Å; S50-S53 WeakPolarHBondContact O-CB 3.33Å; S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 PolarHBondContact O-OG 3.05Å
54K97.4Very high97.2Very high173 Ų17343.1 Ų43.175%0.75222%0.221SC*.THydrogen-bonded Turntrans-80.8-28.1175.1-65.5-177.7-177.9175.50113.4L52L52-K54 PolarHBondContact O-N 3.42Å
55M98.1Very high97.1Very high41 Ų4147.3 Ų47.320%0.20224%0.24CC..THydrogen-bonded Turntrans-104.1-26.2-175.1-66.9-173.4-70.800113.2K24 V25 L52 I116 E117 Y120K24-M55 CarbonylContact C-O 3.59Å; K24-M55 WeakPolarHBondContact CA-O 3.42Å; V25-M55 PolarHBondContact N-O 3.35Å; L52-M55 HydrophobicContact CD2-CE 3.74Å; L52-M55 CarbonylContact O-C 3.51Å; L52-M55 PolarHBondContact O-N 2.84Å; M55-I116 HydrophobicContact CB-CG2 4.35Å; M55-E117 HydrophobicContact SD-CG 4.46Å; M55-Y120 HydrophobicContact CB-CD1 4.44Å; M55-Y120 HydrophobicContact CB-CD2 4.03Å; M55-Y120 HydrophobicContact CB-CE2 4.48Å; M55-Y120 HydrophobicContact CB-CG 4.01Å; M55-Y120 HydrophobicContact CG-CD1 3.93Å; M55-Y120 HydrophobicContact CG-CD2 4.3Å; M55-Y120 HydrophobicContact CG-CE1 4.16Å; M55-Y120 HydrophobicContact CG-CG 4.01Å; M55-Y120 WeakPolarHBondContact O-CD2 3.4Å; M55-Y120 HydrophobicContact SD-CD1 4Å; M55-Y120 HydrophobicContact SD-CG 4.31Å
56A98.5Very high97.1Very high5 Ų547.3 Ų47.34%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-139.5153.8-172.100000113.9V25 V27 L52 I116V25-A56 HydrophobicContact CB-CB 4.26Å; V25-A56 CarbonylContact O-C 3.51Å; V25-A56 WeakPolarHBondContact O-CA 3.4Å; V25-A56 WeakPolarHBondContact O-CB 3.29Å; V27-A56 HydrophobicContact CG2-CB 4.21Å; L52-A56 HydrophobicContact CB-CB 4.38Å; L52-A56 PolarHBondContact O-N 3.4Å; A56-I116 HydrophobicContact CB-CG2 3.76Å
57A98.4Very high97Very high18 Ų1849.3 Ų49.315%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-120.6122.5166.800000108T21 V25 L26 V27 Y59T21-A57 HydrophobicContact CG2-CB 4.05Å; V25-A57 PolarHBondContact O-N 3.43Å; L26-A57 WeakPolarHBondContact CA-O 3.35Å; V27-A57 PolarHBondContact N-O 3.24Å; A57-Y59 HydrophobicContact CB-CE2 4.02Å
58I98.5Very high97Very high4 Ų447.9 Ų47.92%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-110.1128.9-171.2-53.6173.1000109.6L5 P6 V27 L45 Y49 F112L5-I58 HydrophobicContact CD1-CG2 4.43Å; L5-I58 HydrophobicContact CD2-CB 4.33Å; L5-I58 HydrophobicContact CD2-CG2 4.22Å; P6-I58 WeakPolarHBondContact CD-O 3.38Å; P6-I58 WeakPolarHBondContact CG-O 3.45Å; V27-I58 HydrophobicContact CB-CB 4.44Å; V27-I58 HydrophobicContact CB-CG1 4.15Å; V27-I58 HydrophobicContact CB-CG2 4.37Å; V27-I58 HydrophobicContact CG1-CG2 4.42Å; V27-I58 HydrophobicContact CG2-CG1 4.24Å; L45-I58 HydrophobicContact CB-CG2 4.21Å; L45-I58 HydrophobicContact CD1-CG2 4Å; L45-I58 HydrophobicContact CD2-CD1 4.49Å; L45-I58 HydrophobicContact CD2-CG2 4.22Å; L45-I58 HydrophobicContact CG-CG2 4.37Å; Y49-I58 HydrophobicContact CD2-CB 4.33Å; Y49-I58 HydrophobicContact CD2-CD1 4.25Å; I58-F112 HydrophobicContact CD1-CE1 3.88Å; I58-F112 HydrophobicContact CD1-CZ 4.01Å
59Y98.4Very high97Very high59 Ų5949.4 Ų49.423%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-131.9144.9177.2-67.6-95.5000111.1P6 L8 L26 V27 R29 A57P6-Y59 HydrophobicContact CB-CD1 3.68Å; P6-Y59 HydrophobicContact CB-CE1 3.73Å; P6-Y59 HydrophobicContact CG-CD1 3.4Å; P6-Y59 VanDerWaalsContact CG-CD1 3.4Å; P6-Y59 HydrophobicContact CG-CE1 3.5Å; P6-Y59 VanDerWaalsContact CG-CE1 3.5Å; P6-Y59 HydrophobicContact CG-CG 4.04Å; P6-Y59 WeakPolarHBondContact O-CA 3.3Å; L8-Y59 HydrophobicContact CD1-CD1 3.94Å; L8-Y59 HydrophobicContact CD1-CG 4.01Å; L8-Y59 HydrophobicContact CD2-CD1 3.45Å; L8-Y59 VanDerWaalsContact CD2-CD1 3.45Å; L8-Y59 HydrophobicContact CD2-CE1 3.9Å; L8-Y59 HydrophobicContact CD2-CG 4.33Å; L8-Y59 HydrophobicContact CG-CD1 3.72Å; L8-Y59 HydrophobicContact CG-CG 4.16Å; L26-Y59 HydrophobicContact CD1-CD2 3.45Å; L26-Y59 VanDerWaalsContact CD1-CD2 3.45Å; L26-Y59 HydrophobicContact CD1-CE2 3.74Å; V27-Y59 PolarHBondContact O-N 3.4Å; R29-Y59 PolarHBondContact N-O 3.09Å; A57-Y59 HydrophobicContact CB-CE2 4.02Å
60L98.4Very high97Very high8 Ų846.8 Ų46.84%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-94.7134.9170.9-49.6-178000108.3L5 P6 K7 L8 R29 D42 L45L5-L60 HydrophobicContact CB-CD1 3.85Å; L5-L60 HydrophobicContact CB-CD2 4.17Å; L5-L60 HydrophobicContact CB-CG 3.77Å; L5-L60 HydrophobicContact CD1-CD1 4.4Å; L5-L60 HydrophobicContact CD1-CD2 3.76Å; L5-L60 HydrophobicContact CD1-CG 4.28Å; P6-L60 PolarHBondContact O-N 3.37Å; K7-L60 CarbonylContact C-O 3.55Å; K7-L60 WeakPolarHBondContact CA-O 3.33Å; K7-L60 HydrophobicContact CG-CB 4.16Å; K7-L60 HydrophobicContact CG-CD1 4.26Å; L8-L60 PolarHBondContact N-O 2.87Å; R29-L60 HydrophobicContact CB-CD2 4.05Å; R29-L60 HydrophobicContact CG-CD2 4.49Å; D42-L60 WeakPolarHBondContact OD1-CD2 3.35Å; L45-L60 HydrophobicContact CD1-CD2 4.12Å
61V98.4Very high97Very high1 Ų150.6 Ų50.61%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-123124.5-178.6-173.30000108.8L8 V14 L28 R29 F30 G31 V63 T66L8-V61 HydrophobicContact CB-CG2 4.37Å; L8-V61 HydrophobicContact CD1-CG2 4.41Å; V14-V61 HydrophobicContact CG2-CG1 3.95Å; V14-V61 HydrophobicContact CG2-CG2 4.39Å; L28-V61 HydrophobicContact CB-CG2 4.07Å; L28-V61 HydrophobicContact CD2-CG2 4.04Å; R29-V61 PolarHBondContact O-N 3.49Å; F30-V61 WeakPolarHBondContact CA-O 3.28Å; F30-V61 HydrophobicContact CD1-CB 3.95Å; F30-V61 HydrophobicContact CD1-CG1 3.69Å; F30-V61 HydrophobicContact CE1-CB 4.07Å; F30-V61 HydrophobicContact CE1-CG1 3.52Å; F30-V61 HydrophobicContact CG-CB 4.24Å; F30-V61 HydrophobicContact CG-CG1 4.47Å; F30-V61 HydrophobicContact CZ-CB 4.46Å; F30-V61 HydrophobicContact CZ-CG1 4.18Å; G31-V61 PolarHBondContact N-O 2.9Å; V61-V63 PolarHBondContact O-N 3.4Å; V61-T66 HydrophobicContact CG1-CG2 3.85Å; V61-T66 VanDerWaalsContact CG1-OG1 3.28Å; V61-T66 WeakPolarHBondContact CG1-OG1 3.23Å
62D95.9Very high97.1Very high35 Ų3553.5 Ų53.519%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-77.7119.2175.3-174.8-35000109.8L8 D64 Q65 T66L8-D62 PolarHBondContact O-N 3.38Å; D62-D64 VanDerWaalsContact C-N 3.31Å; D62-D64 PolarHBondContact O-N 2.88Å; D62-D64 WeakPolarHBondContact OD1-CB 3.34Å; D62-D64 PolarHBondContact OD1-N 3Å; D62-Q65 HydrophobicContact CB-CB 4.15Å; D62-Q65 HydrophobicContact CB-CG 4.17Å; D62-Q65 PolarHBondContact O-N 3.46Å; D62-Q65 PolarHBondContact OD1-N 3.33Å; D62-Q65 PolarHBondContact OD2-NE2 2.89Å; D62-T66 PolarHBondContact O-N 2.54Å; D62-T66 VanDerWaalsContact O-N 3.16Å; D62-T66 PolarHBondContact O-OG1 3.3Å
63V97Very high97Very high8 Ų853.9 Ų53.95%0.04827%0.267CS..THydrogen-bonded Turntrans-66.1-30.6-178.1-740000113.7F30 G31 R32 V61 T70 I75 I78F30-V63 HydrophobicContact CB-CG1 3.74Å; F30-V63 HydrophobicContact CD1-CG1 4.3Å; G31-V63 PolarHBondContact O-N 3.44Å; R32-V63 HydrophobicContact CG-CG2 3.88Å; V61-V63 PolarHBondContact O-N 3.4Å; V63-T70 HydrophobicContact CB-CG2 4.17Å; V63-T70 HydrophobicContact CG1-CG2 4.38Å; V63-T70 PolarHBondContact O-OG1 2.77Å; V63-I75 HydrophobicContact CG1-CG2 4.05Å; V63-I78 HydrophobicContact CG1-CG2 3.94Å; V63-I78 HydrophobicContact CG2-CG2 4.34Å
64D95.6Very high96.9Very high96 Ų9656.7 Ų56.751%0.51328%0.278SS..THydrogen-bonded Turntrans-80.1-28.5-177.3-60.9-40.2000110.7R32 D62R32-D64 IonicContact CZ-OD1 2.93Å; R32-D64 IonicContact CZ-OD2 2.67Å; R32-D64 IonicContact NE-OD1 3.5Å; R32-D64 IonicContact NE-OD2 3.56Å; R32-D64 PolarHBondContact NE-OD2 2.95Å; R32-D64 IonicContact NH2-OD1 3.61Å; R32-D64 PolarHBondContact NH2-OD1 2.84Å; R32-D64 IonicContact NH2-OD2 2.67Å; D62-D64 VanDerWaalsContact C-N 3.31Å; D62-D64 PolarHBondContact O-N 2.88Å; D62-D64 WeakPolarHBondContact OD1-CB 3.34Å; D62-D64 PolarHBondContact OD1-N 3Å
65Q96.3Very high96.8Very high103 Ų10349.3 Ų49.348%0.48125%0.247SC..THydrogen-bonded Turntrans-92-10.9179.7-55.1-172.350.900113.8T9 D62 P67T9-Q65 VanDerWaalsContact CB-OE1 3.26Å; T9-Q65 VanDerWaalsContact O-CB 3.23Å; T9-Q65 WeakPolarHBondContact O-CB 3.34Å; D62-Q65 HydrophobicContact CB-CB 4.15Å; D62-Q65 HydrophobicContact CB-CG 4.17Å; D62-Q65 PolarHBondContact O-N 3.46Å; D62-Q65 PolarHBondContact OD1-N 3.33Å; D62-Q65 PolarHBondContact OD2-NE2 2.89Å; Q65-P67 WeakPolarHBondContact O-CD 3.37Å
66T96.3Very high96.6Very high1 Ų151.1 Ų51.11%0.00626%0.264CS..  trans-122.749-179.661.80000114V14 V61 D62 V68 Y69 T70V14-T66 HydrophobicContact CG2-CG2 4.11Å; V61-T66 HydrophobicContact CG1-CG2 3.85Å; V61-T66 VanDerWaalsContact CG1-OG1 3.28Å; V61-T66 WeakPolarHBondContact CG1-OG1 3.23Å; D62-T66 PolarHBondContact O-N 2.54Å; D62-T66 VanDerWaalsContact O-N 3.16Å; D62-T66 PolarHBondContact O-OG1 3.3Å; T66-V68 PolarHBondContact O-N 2.64Å; T66-Y69 PolarHBondContact O-N 2.91Å; T66-T70 PolarHBondContact O-N 2.83Å; T66-T70 PolarHBondContact O-OG1 3.32Å; T66-T70 VanDerWaalsContact O-OG1 3.09Å
67P95.9Very high96.4Very high64 Ų6455.8 Ų55.842%0.41628%0.281SS..Hα-helixtrans-58.3-29.6-169.424.5-35.8000114.1Q65 Y69 T70 Q71Q65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-Y69 PolarHBondContact O-N 2.93Å; P67-T70 PolarHBondContact O-N 2.92Å; P67-Q71 VanDerWaalsContact O-CB 3.27Å; P67-Q71 WeakPolarHBondContact O-CB 3.34Å; P67-Q71 WeakPolarHBondContact O-CG 3.31Å; P67-Q71 PolarHBondContact O-N 3.12Å
68V96.9Very high96.2Very high81 Ų8156.7 Ų56.749%0.49128%0.283SS..Hα-helixtrans-60.3-45.6176.5177.60000111.5K11 T66 Y72K11-V68 HydrophobicContact CG-CB 4.24Å; K11-V68 HydrophobicContact CG-CG1 4.39Å; T66-V68 PolarHBondContact O-N 2.64Å; V68-Y72 VanDerWaalsContact O-CB 3.23Å; V68-Y72 WeakPolarHBondContact O-CB 3.39Å; V68-Y72 PolarHBondContact O-N 3.1Å
69Y96.3Very high96.2Very high32 Ų3256.5 Ų56.513%0.12528%0.282CS..Hα-helixtrans-79.8-35.4179-81.3-68.2000111.9K11 V14 D15 I18 T66 P67 Q71 Y72 F73K11-Y69 HydrophobicContact CD-CE2 4.49Å; K11-Y69 HydrophobicContact CG-CD2 4.16Å; K11-Y69 HydrophobicContact CG-CE2 3.89Å; V14-Y69 HydrophobicContact CB-CD2 3.77Å; V14-Y69 HydrophobicContact CB-CE2 3.65Å; V14-Y69 HydrophobicContact CG1-CD1 4.39Å; V14-Y69 HydrophobicContact CG1-CD2 3.53Å; V14-Y69 HydrophobicContact CG1-CE1 4.29Å; V14-Y69 HydrophobicContact CG1-CE2 3.43Å; V14-Y69 VanDerWaalsContact CG1-CE2 3.43Å; V14-Y69 HydrophobicContact CG1-CG 4.03Å; V14-Y69 HydrophobicContact CG2-CD2 4.33Å; D15-Y69 WeakPolarHBondContact OD1-CE2 3.46Å; D15-Y69 PolarHBondContact OD1-OH 2.67Å; I18-Y69 HydrophobicContact CD1-CE1 4.1Å; T66-Y69 PolarHBondContact O-N 2.91Å; P67-Y69 PolarHBondContact O-N 2.93Å; Y69-Q71 VanDerWaalsContact C-N 3.29Å; Y69-Q71 PolarHBondContact O-N 3.39Å; Y69-Y72 PolarHBondContact O-N 3.21Å; Y69-F73 HydrophobicContact CD1-CD2 4.23Å; Y69-F73 AromaticContact CD1-CE2 3.67Å; Y69-F73 HydrophobicContact CD1-CE2 3.67Å; Y69-F73 HydrophobicContact CE1-CE2 4.35Å; Y69-F73 WeakPolarHBondContact O-CD2 3.26Å; Y69-F73 PolarHBondContact O-N 3.48Å
70T95.4Very high96.2Very high24 Ų2453.7 Ų53.715%0.14727%0.271CS..Hα-helixtrans-55.8-45.1171.7-520000111V63 T66 P67 D74 I75V63-T70 HydrophobicContact CB-CG2 4.17Å; V63-T70 HydrophobicContact CG1-CG2 4.38Å; V63-T70 PolarHBondContact O-OG1 2.77Å; T66-T70 PolarHBondContact O-N 2.83Å; T66-T70 PolarHBondContact O-OG1 3.32Å; T66-T70 VanDerWaalsContact O-OG1 3.09Å; P67-T70 PolarHBondContact O-N 2.92Å; T70-D74 PolarHBondContact O-N 3.47Å; T70-I75 HydrophobicContact CG2-CB 3.88Å; T70-I75 HydrophobicContact CG2-CG1 4.42Å; T70-I75 PolarHBondContact O-N 2.83Å
71Q96.4Very high96.2Very high152 Ų15253.3 Ų53.371%0.7127%0.269SS*.Hα-helixtrans-70.9-44.9175.6-71.8170.34.900112.1P67 Y69 F73 D74P67-Q71 VanDerWaalsContact O-CB 3.27Å; P67-Q71 WeakPolarHBondContact O-CB 3.34Å; P67-Q71 WeakPolarHBondContact O-CG 3.31Å; P67-Q71 PolarHBondContact O-N 3.12Å; Y69-Q71 VanDerWaalsContact C-N 3.29Å; Y69-Q71 PolarHBondContact O-N 3.39Å; Q71-F73 VanDerWaalsContact C-N 3.31Å; Q71-F73 PolarHBondContact O-N 3.31Å; Q71-D74 PolarHBondContact O-N 2.77Å; Q71-D74 VanDerWaalsContact O-N 3.1Å
72Y96.2Very high96.2Very high170 Ų17053.2 Ų53.267%0.66727%0.269SS*.Hα-helixtrans-59.4-40-178179.4-98.1000113.1V68 Y69 D74V68-Y72 VanDerWaalsContact O-CB 3.23Å; V68-Y72 WeakPolarHBondContact O-CB 3.39Å; V68-Y72 PolarHBondContact O-N 3.1Å; Y69-Y72 PolarHBondContact O-N 3.21Å; Y72-D74 VanDerWaalsContact C-N 3.34Å
73F95.8Very high96.3Very high9 Ų951.7 Ų51.74%0.03926%0.26CS..THydrogen-bonded Turntrans-90.72.8178.2-69.9-60.6000114.3F30 Y69 Q71 I75 V82 F84 H89 K101F30-F73 HydrophobicContact CE2-CD2 4.3Å; F30-F73 HydrophobicContact CZ-CD2 4.09Å; F30-F73 HydrophobicContact CZ-CE2 4.32Å; Y69-F73 HydrophobicContact CD1-CD2 4.23Å; Y69-F73 AromaticContact CD1-CE2 3.67Å; Y69-F73 HydrophobicContact CD1-CE2 3.67Å; Y69-F73 HydrophobicContact CE1-CE2 4.35Å; Y69-F73 WeakPolarHBondContact O-CD2 3.26Å; Y69-F73 PolarHBondContact O-N 3.48Å; Q71-F73 VanDerWaalsContact C-N 3.31Å; Q71-F73 PolarHBondContact O-N 3.31Å; F73-I75 HydrophobicContact CB-CD1 3.55Å; F73-I75 HydrophobicContact CB-CG1 3.91Å; F73-I75 PolarHBondContact O-N 3.47Å; F73-V82 HydrophobicContact CB-CG2 4.5Å; F73-V82 HydrophobicContact CD1-CG1 4.33Å; F73-V82 HydrophobicContact CD1-CG2 4.21Å; F73-V82 HydrophobicContact CD2-CG2 4.16Å; F73-V82 HydrophobicContact CE1-CG1 3.85Å; F73-V82 HydrophobicContact CE2-CG1 4.18Å; F73-V82 HydrophobicContact CE2-CG2 4.46Å; F73-V82 HydrophobicContact CG-CG2 4.04Å; F73-V82 HydrophobicContact CZ-CG1 3.78Å; F73-F84 HydrophobicContact CE2-CE2 4.41Å; F73-F84 HydrophobicContact CE2-CZ 4.46Å; F73-F84 AromaticContact CZ-CE2 3.88Å; F73-F84 HydrophobicContact CZ-CE2 3.88Å; F73-F84 AromaticContact CZ-CZ 3.71Å; F73-F84 HydrophobicContact CZ-CZ 3.71Å; F73-H89 AromaticContact CE1-CE1 3.74Å; F73-H89 AromaticContact CE1-NE2 4Å; F73-K101 PolarHBondContact O-NZ 3.16Å
74D95.6Very high96.4Very high107 Ų10752 Ų5257%0.57226%0.261SS*.THydrogen-bonded Turntrans48.657.9-175.2-171.427.8000111.5T70 Q71 Y72 S76 K101T70-D74 PolarHBondContact O-N 3.47Å; Q71-D74 PolarHBondContact O-N 2.77Å; Q71-D74 VanDerWaalsContact O-N 3.1Å; Y72-D74 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 PolarHBondContact O-N 3.26Å; D74-S76 PolarHBondContact O-OG 2.82Å; D74-S76 PolarHBondContact OD1-OG 3.49Å; D74-K101 WeakPolarHBondContact O-CE 3.32Å; D74-K101 PolarHBondContact O-NZ 3.44Å; D74-K101 VanDerWaalsContact O-NZ 3.16Å
75I95.4Very high96.6Very high18 Ų1848 Ų489%0.09224%0.239CC..  trans-78.684.2-179.6-50.9-63.1000108.9F30 V63 T70 F73 I78 K101F30-I75 HydrophobicContact CB-CD1 4.42Å; F30-I75 HydrophobicContact CB-CG1 4.41Å; F30-I75 HydrophobicContact CB-CG2 4.21Å; F30-I75 HydrophobicContact CD1-CG1 4.44Å; F30-I75 HydrophobicContact CD2-CD1 4.46Å; F30-I75 HydrophobicContact CG-CD1 4.36Å; F30-I75 HydrophobicContact CG-CG1 4.33Å; V63-I75 HydrophobicContact CG1-CG2 4.05Å; T70-I75 HydrophobicContact CG2-CB 3.88Å; T70-I75 HydrophobicContact CG2-CG1 4.42Å; T70-I75 PolarHBondContact O-N 2.83Å; F73-I75 HydrophobicContact CB-CD1 3.55Å; F73-I75 HydrophobicContact CB-CG1 3.91Å; F73-I75 PolarHBondContact O-N 3.47Å; I75-I78 HydrophobicContact CG2-CG2 4.07Å; I75-K101 HydrophobicContact CD1-CD 3.78Å
76S92.9Very high96.7Very high79 Ų7947.2 Ų47.255%0.55224%0.238SC*.  trans-89-22.8177-18.50000112.9D74D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 PolarHBondContact O-N 3.26Å; D74-S76 PolarHBondContact O-OG 2.82Å; D74-S76 PolarHBondContact OD1-OG 3.49Å
77Y93.6Very high96.7Very high102 Ų10248.9 Ų48.940%0.426%0.256SS..SBendtrans-126.7138179.7-63.2-82.3000110.7S80 V103 L144Y77-S80 PolarHBondContact O-OG 3.03Å; Y77-V103 HydrophobicContact CG-CG1 4.48Å; Y77-L144 HydrophobicContact CD2-CD2 4.24Å; Y77-L144 HydrophobicContact CE2-CD2 3.91Å
78I96Very high96.8Very high37 Ų3751 Ų5119%0.1926%0.26CS..SBendtrans-115.9146.1176.959.6171.1000110.6R32 D35 V63 I75R32-I78 HydrophobicContact CB-CD1 4.2Å; R32-I78 HydrophobicContact CG-CD1 3.97Å; D35-I78 HydrophobicContact CB-CD1 4.08Å; V63-I78 HydrophobicContact CG1-CG2 3.94Å; V63-I78 HydrophobicContact CG2-CG2 4.34Å; I75-I78 HydrophobicContact CG2-CG2 4.07Å
79P97.8Very high96.9Very high0 Ų049 Ų490%025%0.245CC..SBendcis-70.9149.7-828.9-33000112.3R29 F30 V37 L41 G104R29-P79 HydrophobicContact CG-CB 4.25Å; F30-P79 WeakPolarHBondContact O-CA 3.48Å; V37-P79 VanDerWaalsContact CG1-CD 3.47Å; V37-P79 HydrophobicContact CG1-CG 4.03Å; L41-P79 HydrophobicContact CB-CG 4.24Å; L41-P79 HydrophobicContact CD2-CB 3.62Å; L41-P79 HydrophobicContact CD2-CG 3.69Å; P79-G104 PolarHBondContact O-N 2.6Å
80S97.9Very high97Very high0 Ų047.6 Ų47.60%024%0.24CC..EExtended strand (participates in β ladder)trans-126.6128.6167.9-81.90000109.2F30 Y77 F102F30-S80 WeakPolarHBondContact CA-O 3.11Å; F30-S80 WeakPolarHBondContact CB-O 3.05Å; F30-S80 PolarHBondContact N-O 2.7Å; F30-S80 PolarHBondContact O-N 2.91Å; Y77-S80 PolarHBondContact O-OG 3.03Å; S80-F102 CarbonylContact C-O 3.52Å; S80-F102 WeakPolarHBondContact CA-O 3.38Å
81T98.6Very high97.2Very high0 Ų050.9 Ų50.90%025%0.252CS..EExtended strand (participates in β ladder)trans-111.1125.3-175.6-530000110.8V27 L28 F83 K101 F102V27-T81 HydrophobicContact CG1-CG2 3.48Å; V27-T81 VanDerWaalsContact CG1-CG2 3.48Å; L28-T81 WeakPolarHBondContact O-CA 3.39Å; T81-F83 HydrophobicContact CG2-CE1 3.81Å; T81-F83 HydrophobicContact CG2-CE2 4.31Å; T81-F83 HydrophobicContact CG2-CZ 3.66Å; T81-K101 WeakPolarHBondContact O-CA 3.49Å; T81-F102 PolarHBondContact N-O 2.85Å; T81-F102 PolarHBondContact O-N 3.43Å
82V98.6Very high97.2Very high0 Ų043.7 Ų43.70%022%0.218CC..EExtended strand (participates in β ladder)trans-112.7144.1178.7-179.40000109.7L28 F30 F73 F84 K101L28-V82 PolarHBondContact N-O 3.39Å; L28-V82 PolarHBondContact O-N 2.8Å; F30-V82 HydrophobicContact CD2-CG2 4.11Å; F30-V82 HydrophobicContact CE2-CB 4.12Å; F30-V82 HydrophobicContact CE2-CG2 3.91Å; F73-V82 HydrophobicContact CB-CG2 4.5Å; F73-V82 HydrophobicContact CD1-CG1 4.33Å; F73-V82 HydrophobicContact CD1-CG2 4.21Å; F73-V82 HydrophobicContact CD2-CG2 4.16Å; F73-V82 HydrophobicContact CE1-CG1 3.85Å; F73-V82 HydrophobicContact CE2-CG1 4.18Å; F73-V82 HydrophobicContact CE2-CG2 4.46Å; F73-V82 HydrophobicContact CG-CG2 4.04Å; F73-V82 HydrophobicContact CZ-CG1 3.78Å; V82-F84 HydrophobicContact CG1-CD2 4.09Å; V82-F84 HydrophobicContact CG1-CE2 3.67Å; V82-K101 HydrophobicContact CG2-CB 4.05Å
83F98.8Very high97.3Very high2 Ų238.2 Ų38.21%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-117.7137.3-175.4-54.5-79.5000111.7V25 L26 V27 T81 H89 M90 V92 Y94 F102 L115 I116 I119V25-F83 HydrophobicContact CG1-CB 4.31Å; V25-F83 HydrophobicContact CG1-CD1 4.04Å; L26-F83 CarbonylContact O-C 3.55Å; L26-F83 WeakPolarHBondContact O-CA 3.25Å; V27-F83 HydrophobicContact CG1-CD1 4.34Å; V27-F83 HydrophobicContact CG1-CE1 3.95Å; V27-F83 HydrophobicContact CG2-CD1 4.09Å; V27-F83 HydrophobicContact CG2-CE1 4.19Å; T81-F83 HydrophobicContact CG2-CE1 3.81Å; T81-F83 HydrophobicContact CG2-CE2 4.31Å; T81-F83 HydrophobicContact CG2-CZ 3.66Å; F83-H89 PolarHBondContact O-CD2 2.77Å; F83-M90 HydrophobicContact CB-CB 3.95Å; F83-M90 PolarHBondContact O-N 3.49Å; F83-V92 HydrophobicContact CD2-CG2 4.25Å; F83-Y94 WeakPolarHBondContact CE2-OH 3.22Å; F83-F102 HydrophobicContact CE2-CB 4.14Å; F83-F102 HydrophobicContact CZ-CB 4.5Å; F83-L115 HydrophobicContact CE2-CD2 4.49Å; F83-L115 HydrophobicContact CZ-CD2 4Å; F83-I116 HydrophobicContact CD1-CD1 4.12Å; F83-I116 HydrophobicContact CE1-CD1 3.78Å; F83-I119 HydrophobicContact CB-CD1 4.29Å; F83-I119 HydrophobicContact CD1-CD1 3.7Å; F83-I119 HydrophobicContact CD2-CD1 3.91Å; F83-I119 HydrophobicContact CE1-CD1 3.94Å; F83-I119 HydrophobicContact CE2-CD1 4.16Å; F83-I119 HydrophobicContact CG-CD1 3.68Å; F83-I119 HydrophobicContact CZ-CD1 4.16Å
84F98.8Very high97.1Very high15 Ų1538.6 Ų38.67%0.06620%0.202CC..EExtended strand (participates in β ladder)trans-130154.9172.2-75.1-100000111.1I18 V25 L26 L28 F73 V82 Q88 H89I18-F84 HydrophobicContact CD1-CD2 4.49Å; I18-F84 HydrophobicContact CD1-CE1 4.11Å; I18-F84 HydrophobicContact CD1-CE2 3.9Å; I18-F84 HydrophobicContact CD1-CZ 3.65Å; I18-F84 HydrophobicContact CG1-CD1 4.41Å; I18-F84 HydrophobicContact CG1-CD2 4.23Å; I18-F84 HydrophobicContact CG1-CE1 4.32Å; I18-F84 HydrophobicContact CG1-CE2 4.14Å; I18-F84 HydrophobicContact CG1-CG 4.35Å; I18-F84 HydrophobicContact CG1-CZ 4.15Å; I18-F84 HydrophobicContact CG2-CD1 4.01Å; I18-F84 HydrophobicContact CG2-CE1 4.04Å; V25-F84 CarbonylContact C-O 3.49Å; V25-F84 WeakPolarHBondContact CA-O 3.34Å; L26-F84 HydrophobicContact CB-CB 4.01Å; L26-F84 HydrophobicContact CD2-CB 4.2Å; L26-F84 HydrophobicContact CG-CB 4.49Å; L26-F84 PolarHBondContact N-O 3.44Å; L26-F84 PolarHBondContact O-N 2.93Å; L28-F84 HydrophobicContact CD1-CD2 4.19Å; L28-F84 HydrophobicContact CD1-CE2 4.07Å; F73-F84 HydrophobicContact CE2-CE2 4.41Å; F73-F84 HydrophobicContact CE2-CZ 4.46Å; F73-F84 AromaticContact CZ-CE2 3.88Å; F73-F84 HydrophobicContact CZ-CE2 3.88Å; F73-F84 AromaticContact CZ-CZ 3.71Å; F73-F84 HydrophobicContact CZ-CZ 3.71Å; V82-F84 HydrophobicContact CG1-CD2 4.09Å; V82-F84 HydrophobicContact CG1-CE2 3.67Å; F84-Q88 CarbonylContact C-O 3.54Å; F84-Q88 WeakPolarHBondContact CA-O 3.25Å; F84-Q88 WeakPolarHBondContact CD1-O 3.32Å; F84-H89 HydrophobicContact CD1-CB 4.2Å; F84-H89 HydrophobicContact CE1-CB 3.89Å; F84-H89 HydrophobicContact CZ-CB 4.35Å
85F98.7Very high96.8Very high12 Ų1237 Ų375%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-142.5123.2169.4-169.1-89000109.1K24 V25 G87 Q88 M90 Y120 A123 M124K24-F85 VanDerWaalsContact C-CD2 3.46Å; K24-F85 WeakPolarHBondContact O-CD2 3.44Å; V25-F85 HydrophobicContact CG2-CD2 4.16Å; F85-G87 PolarHBondContact O-N 3.31Å; F85-Q88 PolarHBondContact N-O 3.01Å; F85-Q88 WeakPolarHBondContact O-CB 3.35Å; F85-Q88 PolarHBondContact O-N 2.79Å; F85-M90 HydrophobicContact CB-CG 3.79Å; F85-M90 HydrophobicContact CB-SD 4.12Å; F85-Y120 AromaticContact CE2-CD2 3.9Å; F85-Y120 HydrophobicContact CE2-CD2 3.9Å; F85-Y120 HydrophobicContact CE2-CE2 4Å; F85-A123 HydrophobicContact CB-CB 3.65Å; F85-A123 HydrophobicContact CD1-CB 3.57Å; F85-A123 HydrophobicContact CD2-CB 3.68Å; F85-A123 HydrophobicContact CE1-CB 4.1Å; F85-A123 HydrophobicContact CE2-CB 4.21Å; F85-A123 HydrophobicContact CG-CB 3.34Å; F85-A123 HydrophobicContact CZ-CB 4.4Å; F85-M124 HydrophobicContact CE1-SD 4.31Å; F85-M124 HydrophobicContact CE2-SD 4.41Å; F85-M124 HydrophobicContact CZ-CG 4.17Å; F85-M124 HydrophobicContact CZ-SD 3.56Å; F85-M124 VanDerWaalsContact CZ-SD 3.56Å
86N98Very high96.4Very high87 Ų8738.1 Ų38.147%0.46522%0.22SC..THydrogen-bonded Turntrans4944-175.7-67.1-16.7000113.4A22 E23 Q88A22-N86 WeakPolarHBondContact CA-OD1 3.35Å; E23-N86 PolarHBondContact N-OD1 3.02Å; N86-Q88 PolarHBondContact O-N 3.2Å
87G97.5Very high96.2Very high36 Ų3639.5 Ų39.537%0.37123%0.227SC..THydrogen-bonded Turntrans74.2-2.4-178.400000115.6F85F85-G87 PolarHBondContact O-N 3.31Å
88Q98.1Very high96.1Very high107 Ų10736.4 Ų36.450%0.522%0.217SC..EExtended strand (participates in β ladder)trans-93.6132.8177.2-61-177.9-1300110.6F84 F85 N86 M90 L128F84-Q88 CarbonylContact C-O 3.54Å; F84-Q88 WeakPolarHBondContact CA-O 3.25Å; F84-Q88 WeakPolarHBondContact CD1-O 3.32Å; F85-Q88 PolarHBondContact N-O 3.01Å; F85-Q88 WeakPolarHBondContact O-CB 3.35Å; F85-Q88 PolarHBondContact O-N 2.79Å; N86-Q88 PolarHBondContact O-N 3.2Å; Q88-M90 PolarHBondContact O-N 2.76Å; Q88-L128 HydrophobicContact CB-CD2 4.09Å
89H98.4Very high96.1Very high41 Ų4137.3 Ų37.319%0.1922%0.22CC..EExtended strand (participates in β ladder)trans-70.8119.4176.8177.7-155.6000110.1F73 F83 F84 T100F73-H89 AromaticContact CE1-CE1 3.74Å; F73-H89 AromaticContact CE1-NE2 4Å; F83-H89 PolarHBondContact O-CD2 2.77Å; F84-H89 HydrophobicContact CD1-CB 4.2Å; F84-H89 HydrophobicContact CE1-CB 3.89Å; F84-H89 HydrophobicContact CZ-CB 4.35Å; H89-T100 PolarHBondContact CE1-O 3.23Å; H89-T100 PolarHBondContact NE2-O 3.48Å
90M98.7Very high96.1Very high2 Ų239.1 Ų39.11%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-91.6114.6179.6-68-60.4-57.700109.8F83 F85 Q88 I119 A123 K127F83-M90 HydrophobicContact CB-CB 3.95Å; F83-M90 PolarHBondContact O-N 3.49Å; F85-M90 HydrophobicContact CB-CG 3.79Å; F85-M90 HydrophobicContact CB-SD 4.12Å; Q88-M90 PolarHBondContact O-N 2.76Å; M90-I119 HydrophobicContact CB-CG2 4.02Å; M90-I119 HydrophobicContact CE-CG2 4.19Å; M90-I119 HydrophobicContact CG-CG2 4.12Å; M90-A123 HydrophobicContact CE-CB 3.76Å; M90-A123 HydrophobicContact SD-CB 3.83Å; M90-K127 VanDerWaalsContact CE-O 3.24Å; M90-K127 WeakPolarHBondContact CE-O 3.47Å
91K98.6Very high96Very high93 Ų9340 Ų4040%0.40424%0.235SC..EExtended strand (participates in β ladder)trans-86152.7174.6-64.9-176.4-176.2-176.80110.7H99 L128 I129 V130K91-H99 CarbonylContact C-O 3.48Å; K91-H99 WeakPolarHBondContact CA-O 3.34Å; K91-H99 HydrophobicContact CB-CB 4.19Å; K91-H99 WeakPolarHBondContact CB-O 3.4Å; K91-L128 PolarHBondContact N-O 3.09Å; K91-I129 HydrophobicContact CB-CB 4.09Å; K91-I129 HydrophobicContact CB-CD1 4.11Å; K91-I129 HydrophobicContact CB-CG1 3.86Å; K91-I129 VanDerWaalsContact O-CA 3.29Å; K91-I129 WeakPolarHBondContact O-CA 3.33Å; K91-V130 PolarHBondContact O-N 2.86Å; K91-V130 VanDerWaalsContact O-N 3.11Å
92V98.3Very high95.9Very high1 Ų140.2 Ų40.21%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-136.9127177.4-1750000109.8F83 Y94 H99 L115 I119 V130F83-V92 HydrophobicContact CD2-CG2 4.25Å; V92-Y94 HydrophobicContact CB-CD2 4.31Å; V92-Y94 HydrophobicContact CB-CE1 3.94Å; V92-Y94 HydrophobicContact CB-CE2 3.56Å; V92-Y94 VanDerWaalsContact CB-OH 3.24Å; V92-Y94 WeakPolarHBondContact CB-OH 3.43Å; V92-Y94 HydrophobicContact CG1-CD1 3.88Å; V92-Y94 HydrophobicContact CG1-CD2 4.33Å; V92-Y94 HydrophobicContact CG1-CE1 3.32Å; V92-Y94 HydrophobicContact CG1-CE2 3.86Å; V92-Y94 HydrophobicContact CG1-CG 4.33Å; V92-Y94 WeakPolarHBondContact CG2-OH 3.32Å; V92-Y94 WeakPolarHBondContact O-CD2 3.37Å; V92-Y94 WeakPolarHBondContact O-CE2 3.3Å; V92-Y94 PolarHBondContact O-N 3.48Å; V92-H99 PolarHBondContact N-O 2.77Å; V92-H99 WeakPolarHBondContact O-CA 3.32Å; V92-H99 VanDerWaalsContact O-CB 3.32Å; V92-H99 WeakPolarHBondContact O-CB 3.46Å; V92-L115 HydrophobicContact CG1-CD1 3.88Å; V92-L115 HydrophobicContact CG2-CD1 4.48Å; V92-I119 HydrophobicContact CG2-CD1 3.83Å; V92-I119 HydrophobicContact CG2-CG1 3.9Å; V92-V130 CarbonylContact C-O 3.5Å; V92-V130 VanDerWaalsContact CA-O 3.3Å; V92-V130 WeakPolarHBondContact CA-O 3.27Å; V92-V130 HydrophobicContact CB-CG2 4.42Å; V92-V130 HydrophobicContact CG1-CG2 4.24Å; V92-V130 HydrophobicContact CG2-CG2 3.91Å
93D96.4Very high95.7Very high55 Ų5541.3 Ų41.329%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-82.8110.9171.6-178.6-7.6000109.4G95 H99 V130 S132D93-G95 WeakPolarHBondContact OD1-CA 3.24Å; D93-G95 PolarHBondContact OD1-N 2.97Å; D93-H99 IonicContact OD1-NE2 3.3Å; D93-V130 PolarHBondContact N-O 3Å; D93-S132 WeakPolarHBondContact O-CB 3.35Å; D93-S132 PolarHBondContact O-N 2.82Å
94Y93.1Very high95.5Very high17 Ų1741.2 Ų41.27%0.06724%0.243CC..  trans-101.23.6176-58.9-70.8000112.4F83 V92 S96 F102 L115 S132 I139F83-Y94 WeakPolarHBondContact CE2-OH 3.22Å; V92-Y94 HydrophobicContact CB-CD2 4.31Å; V92-Y94 HydrophobicContact CB-CE1 3.94Å; V92-Y94 HydrophobicContact CB-CE2 3.56Å; V92-Y94 VanDerWaalsContact CB-OH 3.24Å; V92-Y94 WeakPolarHBondContact CB-OH 3.43Å; V92-Y94 HydrophobicContact CG1-CD1 3.88Å; V92-Y94 HydrophobicContact CG1-CD2 4.33Å; V92-Y94 HydrophobicContact CG1-CE1 3.32Å; V92-Y94 HydrophobicContact CG1-CE2 3.86Å; V92-Y94 HydrophobicContact CG1-CG 4.33Å; V92-Y94 WeakPolarHBondContact CG2-OH 3.32Å; V92-Y94 WeakPolarHBondContact O-CD2 3.37Å; V92-Y94 WeakPolarHBondContact O-CE2 3.3Å; V92-Y94 PolarHBondContact O-N 3.48Å; Y94-S96 VanDerWaalsContact C-N 3.29Å; Y94-F102 AromaticContact CD1-CD2 3.92Å; Y94-F102 HydrophobicContact CD1-CD2 3.92Å; Y94-F102 HydrophobicContact CD1-CE2 4.29Å; Y94-F102 HydrophobicContact CD2-CD2 4.37Å; Y94-F102 AromaticContact CE1-CD2 3.51Å; Y94-F102 HydrophobicContact CE1-CD2 3.51Å; Y94-F102 HydrophobicContact CE1-CE2 4.15Å; Y94-F102 HydrophobicContact CE1-CG 4.47Å; Y94-F102 HydrophobicContact CE2-CB 4.02Å; Y94-F102 AromaticContact CE2-CD2 3.99Å; Y94-F102 HydrophobicContact CE2-CD2 3.99Å; Y94-F102 HydrophobicContact CG-CD2 4.35Å; Y94-F102 AromaticContact CZ-CD2 3.56Å; Y94-L115 HydrophobicContact CE1-CD1 3.97Å; Y94-L115 HydrophobicContact CE1-CD2 4.04Å; Y94-S132 VanDerWaalsContact CD1-CB 3.47Å; Y94-I139 HydrophobicContact CD1-CD1 4.44Å; Y94-I139 VanDerWaalsContact O-CD1 3.3Å; Y94-I139 WeakPolarHBondContact O-CD1 3.49Å
95G88.9Confident95.4Very high72 Ų7241.2 Ų41.274%0.74225%0.245SC*.SBendtrans82.10.6-166.100000114.4D93D93-G95 WeakPolarHBondContact OD1-CA 3.24Å; D93-G95 PolarHBondContact OD1-N 2.97Å
96S86.6Confident95.2Very high43 Ų4341.1 Ų41.130%0.30124%0.244SC..SBendtrans-9115617252.20000111.6Y94 D98 H99Y94-S96 VanDerWaalsContact C-N 3.29Å; S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 PolarHBondContact O-N 3.12Å; S96-D98 PolarHBondContact OG-O 2.67Å; S96-H99 PolarHBondContact O-CD2 3.47Å; S96-H99 PolarHBondContact O-NE2 2.8Å
97P88.3Confident95Very high107 Ų10743.7 Ų43.770%0.69525%0.251SS*.SBendtrans-63-29.6175.8-23.234.1000114.3
98D91.6Very high94.9Very high38 Ų3844.7 Ų44.720%0.20325%0.25CS..  trans-90.5121.4175.2-171.22.6000110.4S96 T100 K101S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 PolarHBondContact O-N 3.12Å; S96-D98 PolarHBondContact OG-O 2.67Å; D98-T100 VanDerWaalsContact OD1-CB 3.28Å; D98-T100 WeakPolarHBondContact OD1-CB 3.08Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.33Å; D98-T100 PolarHBondContact OD1-N 3.41Å; D98-T100 PolarHBondContact OD1-OG1 2.96Å; D98-T100 PolarHBondContact OD2-OG1 2.7Å; D98-K101 WeakPolarHBondContact OD2-CE 3.44Å; D98-K101 WeakPolarHBondContact OD2-CG 3.21Å; D98-K101 IonicContact OD2-NZ 2.77Å; D98-K101 PolarHBondContact OD2-NZ 3.15Å
99H96.4Very high94.8Very high55 Ų5544.7 Ų44.726%0.25525%0.249SC..  trans-109.31.1176.6-56165.7000112.8K91 V92 D93 S96 I129K91-H99 CarbonylContact C-O 3.48Å; K91-H99 WeakPolarHBondContact CA-O 3.34Å; K91-H99 HydrophobicContact CB-CB 4.19Å; K91-H99 WeakPolarHBondContact CB-O 3.4Å; V92-H99 PolarHBondContact N-O 2.77Å; V92-H99 WeakPolarHBondContact O-CA 3.32Å; V92-H99 VanDerWaalsContact O-CB 3.32Å; V92-H99 WeakPolarHBondContact O-CB 3.46Å; D93-H99 IonicContact OD1-NE2 3.3Å; S96-H99 PolarHBondContact O-CD2 3.47Å; S96-H99 PolarHBondContact O-NE2 2.8Å; H99-I129 HydrophobicContact CB-CD1 4.37Å
100T96.8Very high94.8Very high38 Ų3847.6 Ų47.623%0.23326%0.262CS..SBendtrans-83.2-25-170.765.50000113.2H89 D98H89-T100 PolarHBondContact CE1-O 3.23Å; H89-T100 PolarHBondContact NE2-O 3.48Å; D98-T100 VanDerWaalsContact OD1-CB 3.28Å; D98-T100 WeakPolarHBondContact OD1-CB 3.08Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.33Å; D98-T100 PolarHBondContact OD1-N 3.41Å; D98-T100 PolarHBondContact OD1-OG1 2.96Å; D98-T100 PolarHBondContact OD2-OG1 2.7Å
101K96.4Very high94.7Very high18 Ų1848.3 Ų48.38%0.07827%0.266CS..  trans-148.1151.8-17755.5-175.1178.3-75.60110.2F73 D74 I75 T81 V82 D98 V103F73-K101 PolarHBondContact O-NZ 3.16Å; D74-K101 WeakPolarHBondContact O-CE 3.32Å; D74-K101 PolarHBondContact O-NZ 3.44Å; D74-K101 VanDerWaalsContact O-NZ 3.16Å; I75-K101 HydrophobicContact CD1-CD 3.78Å; T81-K101 WeakPolarHBondContact O-CA 3.49Å; V82-K101 HydrophobicContact CG2-CB 4.05Å; D98-K101 WeakPolarHBondContact OD2-CE 3.44Å; D98-K101 WeakPolarHBondContact OD2-CG 3.21Å; D98-K101 IonicContact OD2-NZ 2.77Å; D98-K101 PolarHBondContact OD2-NZ 3.15Å; K101-V103 HydrophobicContact CD-CG2 4.34Å; K101-V103 HydrophobicContact CG-CG2 4.14Å
102F96.6Very high94.7Very high5 Ų543.9 Ų43.92%0.02225%0.247CC..EExtended strand (participates in β ladder)trans-92.6118.7165.4-178.4-95.9000108.7S80 T81 F83 Y94 G104 F106 P140S80-F102 CarbonylContact C-O 3.52Å; S80-F102 WeakPolarHBondContact CA-O 3.38Å; T81-F102 PolarHBondContact N-O 2.85Å; T81-F102 PolarHBondContact O-N 3.43Å; F83-F102 HydrophobicContact CE2-CB 4.14Å; F83-F102 HydrophobicContact CZ-CB 4.5Å; Y94-F102 AromaticContact CD1-CD2 3.92Å; Y94-F102 HydrophobicContact CD1-CD2 3.92Å; Y94-F102 HydrophobicContact CD1-CE2 4.29Å; Y94-F102 HydrophobicContact CD2-CD2 4.37Å; Y94-F102 AromaticContact CE1-CD2 3.51Å; Y94-F102 HydrophobicContact CE1-CD2 3.51Å; Y94-F102 HydrophobicContact CE1-CE2 4.15Å; Y94-F102 HydrophobicContact CE1-CG 4.47Å; Y94-F102 HydrophobicContact CE2-CB 4.02Å; Y94-F102 AromaticContact CE2-CD2 3.99Å; Y94-F102 HydrophobicContact CE2-CD2 3.99Å; Y94-F102 HydrophobicContact CG-CD2 4.35Å; Y94-F102 AromaticContact CZ-CD2 3.56Å; F102-G104 WeakPolarHBondContact CE1-O 3.43Å; F102-F106 HydrophobicContact CD1-CE1 4.12Å; F102-F106 HydrophobicContact CD1-CE2 4.07Å; F102-F106 AromaticContact CD1-CZ 3.65Å; F102-F106 HydrophobicContact CD1-CZ 3.65Å; F102-F106 HydrophobicContact CD2-CE1 4.32Å; F102-F106 HydrophobicContact CD2-CZ 4.44Å; F102-F106 HydrophobicContact CE1-CD1 4.07Å; F102-F106 HydrophobicContact CE1-CD2 4.28Å; F102-F106 AromaticContact CE1-CE1 3.69Å; F102-F106 HydrophobicContact CE1-CE1 3.69Å; F102-F106 AromaticContact CE1-CE2 3.93Å; F102-F106 HydrophobicContact CE1-CE2 3.93Å; F102-F106 HydrophobicContact CE1-CG 4.33Å; F102-F106 AromaticContact CE1-CZ 3.6Å; F102-F106 HydrophobicContact CE1-CZ 3.6Å; F102-F106 HydrophobicContact CE2-CD1 4.5Å; F102-F106 AromaticContact CE2-CE1 3.91Å; F102-F106 HydrophobicContact CE2-CE1 3.91Å; F102-F106 HydrophobicContact CE2-CZ 4.38Å; F102-F106 HydrophobicContact CG-CE1 4.4Å; F102-F106 HydrophobicContact CG-CZ 4.07Å; F102-F106 AromaticContact CZ-CD1 3.84Å; F102-F106 HydrophobicContact CZ-CD1 3.84Å; F102-F106 AromaticContact CZ-CE1 3.57Å; F102-F106 HydrophobicContact CZ-CE1 3.57Å; F102-F106 HydrophobicContact CZ-CG 4.46Å; F102-F106 AromaticContact CZ-CZ 3.98Å; F102-F106 HydrophobicContact CZ-CZ 3.98Å; F102-P140 HydrophobicContact CZ-CG 4.19Å
103V94.9Very high94.7Very high24 Ų2445 Ų4515%0.14525%0.253CS..EExtended strand (participates in β ladder)trans-94.4133.5178.5-173.70000109.1Y77 K101 Y142Y77-V103 HydrophobicContact CG-CG1 4.48Å; K101-V103 HydrophobicContact CD-CG2 4.34Å; K101-V103 HydrophobicContact CG-CG2 4.14Å; V103-Y142 HydrophobicContact CB-CD2 4.03Å; V103-Y142 HydrophobicContact CB-CE2 4.14Å; V103-Y142 HydrophobicContact CG1-CD2 3.67Å; V103-Y142 HydrophobicContact CG1-CE2 3.68Å; V103-Y142 HydrophobicContact CG1-CG 4.26Å; V103-Y142 WeakPolarHBondContact O-CE2 3.36Å
104G94.6Very high94.8Very high0 Ų045 Ų450%025%0.253CS..SBendtrans94.5-164.5177.400000115.1P79 F102 Y142P79-G104 PolarHBondContact O-N 2.6Å; F102-G104 WeakPolarHBondContact CE1-O 3.43Å; G104-Y142 WeakPolarHBondContact CA-OH 3.5Å
105S95.6Very high95Very high15 Ų1544.2 Ų44.211%0.10525%0.25CC..  trans-108157.1-178.6-1710000111.7L41 P140L41-S105 WeakPolarHBondContact CA-OG 3.34Å; L41-S105 PolarHBondContact N-OG 2.87Å; S105-P140 WeakPolarHBondContact O-CG 3.38Å
106F95.6Very high95.5Very high10 Ų1040.8 Ų40.84%0.04421%0.214CC..  trans-78.8144.3174.4-63-82.3000110.5L41 I44 F102 D111 F112 L115 I134L41-F106 HydrophobicContact CD1-CD2 3.49Å; L41-F106 VanDerWaalsContact CD1-CD2 3.49Å; L41-F106 HydrophobicContact CD1-CE2 3.83Å; I44-F106 HydrophobicContact CD1-CB 4.01Å; I44-F106 WeakPolarHBondContact CD1-O 3.36Å; F102-F106 HydrophobicContact CD1-CE1 4.12Å; F102-F106 HydrophobicContact CD1-CE2 4.07Å; F102-F106 AromaticContact CD1-CZ 3.65Å; F102-F106 HydrophobicContact CD1-CZ 3.65Å; F102-F106 HydrophobicContact CD2-CE1 4.32Å; F102-F106 HydrophobicContact CD2-CZ 4.44Å; F102-F106 HydrophobicContact CE1-CD1 4.07Å; F102-F106 HydrophobicContact CE1-CD2 4.28Å; F102-F106 AromaticContact CE1-CE1 3.69Å; F102-F106 HydrophobicContact CE1-CE1 3.69Å; F102-F106 AromaticContact CE1-CE2 3.93Å; F102-F106 HydrophobicContact CE1-CE2 3.93Å; F102-F106 HydrophobicContact CE1-CG 4.33Å; F102-F106 AromaticContact CE1-CZ 3.6Å; F102-F106 HydrophobicContact CE1-CZ 3.6Å; F102-F106 HydrophobicContact CE2-CD1 4.5Å; F102-F106 AromaticContact CE2-CE1 3.91Å; F102-F106 HydrophobicContact CE2-CE1 3.91Å; F102-F106 HydrophobicContact CE2-CZ 4.38Å; F102-F106 HydrophobicContact CG-CE1 4.4Å; F102-F106 HydrophobicContact CG-CZ 4.07Å; F102-F106 AromaticContact CZ-CD1 3.84Å; F102-F106 HydrophobicContact CZ-CD1 3.84Å; F102-F106 AromaticContact CZ-CE1 3.57Å; F102-F106 HydrophobicContact CZ-CE1 3.57Å; F102-F106 HydrophobicContact CZ-CG 4.46Å; F102-F106 AromaticContact CZ-CZ 3.98Å; F102-F106 HydrophobicContact CZ-CZ 3.98Å; F106-D111 HydrophobicContact CD1-CB 4.25Å; F106-F112 HydrophobicContact CB-CB 4.4Å; F106-F112 HydrophobicContact CD1-CB 4.23Å; F106-F112 HydrophobicContact CD2-CB 3.85Å; F106-F112 AromaticContact CD2-CD2 3.81Å; F106-F112 HydrophobicContact CD2-CD2 3.81Å; F106-F112 HydrophobicContact CD2-CG 4.11Å; F106-F112 HydrophobicContact CE1-CD2 4.35Å; F106-F112 HydrophobicContact CE2-CB 4.24Å; F106-F112 AromaticContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CE2 4.06Å; F106-F112 HydrophobicContact CE2-CG 4.12Å; F106-F112 HydrophobicContact CG-CB 3.87Å; F106-F112 AromaticContact CZ-CD2 3.67Å; F106-F112 HydrophobicContact CZ-CD2 3.67Å; F106-F112 HydrophobicContact CZ-CE2 4.42Å; F106-L115 HydrophobicContact CE1-CD2 3.56Å; F106-L115 HydrophobicContact CZ-CD2 3.65Å; F106-I134 HydrophobicContact CD1-CD1 3.88Å; F106-I134 HydrophobicContact CE1-CD1 3.7Å
107K93.6Very high96.1Very high140 Ų14041.7 Ų41.761%0.60921%0.214SC*.SBendtrans-68.6-38.2175.9-171.4-179.6-178.1173.10111.9N138K107-N138 HydrophobicContact CB-CB 4.2Å; K107-N138 HydrophobicContact CD-CB 3.94Å; K107-N138 VanDerWaalsContact CD-CG 3.47Å; K107-N138 WeakPolarHBondContact CD-OD1 3.47Å; K107-N138 PolarHBondContact NZ-OD1 2.93Å
108T95.4Very high96.5Very high58 Ų5838.8 Ų38.836%0.35619%0.194SC..SBendtrans-136.1160.8179.774.60000111.8Q110 D111T108-Q110 PolarHBondContact O-N 2.77Å; T108-Q110 PolarHBondContact OG1-N 3Å; T108-D111 WeakPolarHBondContact CB-OD2 3.21Å; T108-D111 PolarHBondContact N-OD2 2.93Å; T108-D111 PolarHBondContact O-N 3.48Å; T108-D111 PolarHBondContact OG1-N 3.44Å; T108-D111 VanDerWaalsContact OG1-N 3.15Å; T108-D111 PolarHBondContact OG1-OD2 3.32Å
109K96.8Very high96.9Very high106 Ų10637 Ų3746%0.46118%0.184SC..Hα-helixtrans-60.3-35.6171.5-65.6-174.9-66166.90112.6I44 K47 T48 F112 I113I44-K109 HydrophobicContact CG1-CG 4.45Å; I44-K109 HydrophobicContact CG2-CG 4.29Å; K47-K109 HydrophobicContact CB-CD 3.68Å; K47-K109 HydrophobicContact CD-CD 4.07Å; K47-K109 HydrophobicContact CG-CD 4.5Å; T48-K109 HydrophobicContact CG2-CB 3.71Å; T48-K109 HydrophobicContact CG2-CD 4.3Å; T48-K109 HydrophobicContact CG2-CG 4.08Å; K109-F112 PolarHBondContact O-N 3.07Å; K109-I113 WeakPolarHBondContact O-CG1 3.4Å; K109-I113 PolarHBondContact O-N 2.82Å; K109-I113 VanDerWaalsContact O-N 3.09Å
110Q96.9Very high97Very high103 Ų10337 Ų3748%0.48118%0.182SC..Hα-helixtrans-69-39.3-178-166.761.945.600111T108 F112 I113 D114T108-Q110 PolarHBondContact O-N 2.77Å; T108-Q110 PolarHBondContact OG1-N 3Å; Q110-F112 PolarHBondContact O-N 2.81Å; Q110-I113 PolarHBondContact O-N 2.87Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; Q110-D114 PolarHBondContact NE2-OD1 2.94Å; Q110-D114 WeakPolarHBondContact O-CB 3.46Å; Q110-D114 PolarHBondContact O-N 2.74Å
111D97.3Very high97.1Very high16 Ų1641.8 Ų41.89%0.08620%0.196CC..Hα-helixtrans-55.9-41.3175.4-62.8-50.3000111.4F106 T108 L115 I134F106-D111 HydrophobicContact CD1-CB 4.25Å; T108-D111 WeakPolarHBondContact CB-OD2 3.21Å; T108-D111 PolarHBondContact N-OD2 2.93Å; T108-D111 PolarHBondContact O-N 3.48Å; T108-D111 PolarHBondContact OG1-N 3.44Å; T108-D111 VanDerWaalsContact OG1-N 3.15Å; T108-D111 PolarHBondContact OG1-OD2 3.32Å; D111-L115 WeakPolarHBondContact O-CB 3.28Å; D111-L115 PolarHBondContact O-N 2.78Å; D111-L115 VanDerWaalsContact O-N 3.14Å; D111-I134 HydrophobicContact CB-CD1 4.17Å; D111-I134 HydrophobicContact CB-CG1 4.06Å; D111-I134 HydrophobicContact CB-CG2 4.22Å
112F98.1Very high97.2Very high0 Ų041.2 Ų41.20%020%0.195CC..Hα-helixtrans-68.3-44.1176179-118.9000112.4V27 I44 L45 T48 L52 I58 F106 K109 Q110 L115 I116V27-F112 HydrophobicContact CG1-CE2 4.32Å; V27-F112 HydrophobicContact CG1-CZ 4.28Å; V27-F112 HydrophobicContact CG2-CZ 4.49Å; I44-F112 HydrophobicContact CG2-CB 3.98Å; I44-F112 HydrophobicContact CG2-CD1 4.33Å; I44-F112 HydrophobicContact CG2-CG 4.36Å; L45-F112 HydrophobicContact CD2-CD1 4.07Å; L45-F112 HydrophobicContact CD2-CD2 4.22Å; L45-F112 HydrophobicContact CD2-CE1 3.44Å; L45-F112 VanDerWaalsContact CD2-CE1 3.44Å; L45-F112 HydrophobicContact CD2-CE2 3.63Å; L45-F112 HydrophobicContact CD2-CG 4.42Å; L45-F112 HydrophobicContact CD2-CZ 3.2Å; T48-F112 HydrophobicContact CG2-CD1 4.28Å; T48-F112 VanDerWaalsContact OG1-CD1 3.23Å; T48-F112 WeakPolarHBondContact OG1-CD1 3.5Å; T48-F112 WeakPolarHBondContact OG1-CE1 3.36Å; L52-F112 HydrophobicContact CD1-CD1 3.69Å; L52-F112 HydrophobicContact CD1-CE1 3.36Å; L52-F112 HydrophobicContact CD1-CZ 4.16Å; I58-F112 HydrophobicContact CD1-CE1 3.88Å; I58-F112 HydrophobicContact CD1-CZ 4.01Å; F106-F112 HydrophobicContact CB-CB 4.4Å; F106-F112 HydrophobicContact CD1-CB 4.23Å; F106-F112 HydrophobicContact CD2-CB 3.85Å; F106-F112 AromaticContact CD2-CD2 3.81Å; F106-F112 HydrophobicContact CD2-CD2 3.81Å; F106-F112 HydrophobicContact CD2-CG 4.11Å; F106-F112 HydrophobicContact CE1-CD2 4.35Å; F106-F112 HydrophobicContact CE2-CB 4.24Å; F106-F112 AromaticContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CE2 4.06Å; F106-F112 HydrophobicContact CE2-CG 4.12Å; F106-F112 HydrophobicContact CG-CB 3.87Å; F106-F112 AromaticContact CZ-CD2 3.67Å; F106-F112 HydrophobicContact CZ-CD2 3.67Å; F106-F112 HydrophobicContact CZ-CE2 4.42Å; K109-F112 PolarHBondContact O-N 3.07Å; Q110-F112 PolarHBondContact O-N 2.81Å; F112-L115 PolarHBondContact O-N 2.67Å; F112-I116 HydrophobicContact CD2-CG1 4.08Å; F112-I116 HydrophobicContact CE1-CG1 4.24Å; F112-I116 HydrophobicContact CE2-CD1 3.78Å; F112-I116 HydrophobicContact CE2-CG1 3.63Å; F112-I116 HydrophobicContact CZ-CD1 3.98Å; F112-I116 HydrophobicContact CZ-CG1 3.71Å; F112-I116 WeakPolarHBondContact O-CG1 3.23Å; F112-I116 PolarHBondContact O-N 3.16Å
113I98.4Very high97.3Very high26 Ų2641.4 Ų41.413%0.13320%0.198CC..Hα-helixtrans-59.4-49.1177.8-70.4167.7000110.9T48 L52 K109 Q110 L115 I116 E117T48-I113 HydrophobicContact CG2-CD1 3.89Å; T48-I113 HydrophobicContact CG2-CG1 3.87Å; L52-I113 HydrophobicContact CD1-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CB 4.32Å; L52-I113 HydrophobicContact CD2-CG1 4.15Å; L52-I113 HydrophobicContact CD2-CG2 4.09Å; L52-I113 HydrophobicContact CG-CG1 4.17Å; K109-I113 WeakPolarHBondContact O-CG1 3.4Å; K109-I113 PolarHBondContact O-N 2.82Å; K109-I113 VanDerWaalsContact O-N 3.09Å; Q110-I113 PolarHBondContact O-N 2.87Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.32Å; I113-I116 PolarHBondContact O-N 2.59Å; I113-E117 PolarHBondContact O-N 2.81Å
114D98.3Very high97.4Very high55 Ų5545.1 Ų45.129%0.29422%0.215SC..Hα-helixtrans-61.6-43.2-177.9-67.1-14.8000110.8Q110 E117 V118 P133Q110-D114 PolarHBondContact NE2-OD1 2.94Å; Q110-D114 WeakPolarHBondContact O-CB 3.46Å; Q110-D114 PolarHBondContact O-N 2.74Å; D114-E117 PolarHBondContact O-N 2.82Å; D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 2.98Å; D114-P133 HydrophobicContact CB-CG 3.89Å
115L98.5Very high97.5Very high0 Ų054.5 Ų54.50%025%0.25CS..Hα-helixtrans-59.9-48.1175.9176.362.1000111.8F83 V92 Y94 F106 D111 F112 I113 E117 V118 I119 I134F83-L115 HydrophobicContact CE2-CD2 4.49Å; F83-L115 HydrophobicContact CZ-CD2 4Å; V92-L115 HydrophobicContact CG1-CD1 3.88Å; V92-L115 HydrophobicContact CG2-CD1 4.48Å; Y94-L115 HydrophobicContact CE1-CD1 3.97Å; Y94-L115 HydrophobicContact CE1-CD2 4.04Å; F106-L115 HydrophobicContact CE1-CD2 3.56Å; F106-L115 HydrophobicContact CZ-CD2 3.65Å; D111-L115 WeakPolarHBondContact O-CB 3.28Å; D111-L115 PolarHBondContact O-N 2.78Å; D111-L115 VanDerWaalsContact O-N 3.14Å; F112-L115 PolarHBondContact O-N 2.67Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.32Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.3Å; L115-V118 PolarHBondContact O-N 3.34Å; L115-I119 HydrophobicContact CD1-CD1 3.92Å; L115-I119 HydrophobicContact CD1-CG1 4.18Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.29Å; L115-I134 HydrophobicContact CB-CD1 4.04Å; L115-I134 HydrophobicContact CB-CG1 4.48Å; L115-I134 HydrophobicContact CD2-CD1 4.18Å
116I98.7Very high97.6Very high0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-62-40.1178.8-67.8-62.1000111.2V25 V27 L52 M55 A56 F83 F112 I113 V118 I119 Y120V25-I116 HydrophobicContact CG1-CD1 4.18Å; V27-I116 HydrophobicContact CG2-CD1 3.47Å; V27-I116 VanDerWaalsContact CG2-CD1 3.47Å; L52-I116 HydrophobicContact CD1-CB 4.25Å; L52-I116 HydrophobicContact CD1-CG1 4.07Å; L52-I116 HydrophobicContact CD1-CG2 4.34Å; L52-I116 HydrophobicContact CD2-CB 4.12Å; L52-I116 HydrophobicContact CD2-CG2 3.86Å; M55-I116 HydrophobicContact CB-CG2 4.35Å; A56-I116 HydrophobicContact CB-CG2 3.76Å; F83-I116 HydrophobicContact CD1-CD1 4.12Å; F83-I116 HydrophobicContact CE1-CD1 3.78Å; F112-I116 HydrophobicContact CD2-CG1 4.08Å; F112-I116 HydrophobicContact CE1-CG1 4.24Å; F112-I116 HydrophobicContact CE2-CD1 3.78Å; F112-I116 HydrophobicContact CE2-CG1 3.63Å; F112-I116 HydrophobicContact CZ-CD1 3.98Å; F112-I116 HydrophobicContact CZ-CG1 3.71Å; F112-I116 WeakPolarHBondContact O-CG1 3.23Å; F112-I116 PolarHBondContact O-N 3.16Å; I113-I116 PolarHBondContact O-N 2.59Å; I116-V118 PolarHBondContact O-N 2.98Å; I116-I119 PolarHBondContact O-N 3.32Å; I116-Y120 VanDerWaalsContact O-CB 3.25Å; I116-Y120 WeakPolarHBondContact O-CB 3.28Å; I116-Y120 PolarHBondContact O-N 2.94Å
117E98.6Very high97.7Very high62 Ų6261.7 Ų61.729%0.2930%0.297SS..Hα-helixtrans-61.4-43.7176.3-176.3175.5166.600111.8M55 I113 D114 L115 Y120 R121M55-E117 HydrophobicContact SD-CG 4.46Å; I113-E117 PolarHBondContact O-N 2.81Å; D114-E117 PolarHBondContact O-N 2.82Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.3Å; E117-Y120 PolarHBondContact O-N 3.1Å; E117-R121 HydrophobicContact CG-CG 4.38Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.2Å; E117-R121 PolarHBondContact O-N 3.46Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 IonicContact OE1-NE 3.35Å; E117-R121 PolarHBondContact OE1-NE 3.46Å; E117-R121 IonicContact OE1-NH2 2.66Å; E117-R121 PolarHBondContact OE1-NH2 2.93Å
118V98.6Very high97.9Very high45 Ų4559.5 Ų59.527%0.27329%0.292SS..Hα-helixtrans-65.7-43.8177.7169.80000111.8D114 L115 I116 G122 V130 Q131 P133D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 2.98Å; L115-V118 PolarHBondContact O-N 3.34Å; I116-V118 PolarHBondContact O-N 2.98Å; V118-G122 PolarHBondContact O-N 2.82Å; V118-V130 HydrophobicContact CG1-CB 3.94Å; V118-V130 HydrophobicContact CG1-CG1 4.44Å; V118-V130 HydrophobicContact CG1-CG2 4.12Å; V118-Q131 WeakPolarHBondContact CG1-O 3.18Å; V118-P133 HydrophobicContact CB-CG 4.25Å; V118-P133 HydrophobicContact CG2-CB 3.9Å; V118-P133 HydrophobicContact CG2-CG 3.64Å
119I98.8Very high98Very high0 Ų060.5 Ų60.50%029%0.294CS..Hα-helixtrans-60.9-49.1175.7-64.2166.6000109.9V25 F83 M90 V92 L115 I116 G122 A123 V130V25-I119 HydrophobicContact CB-CG2 4.48Å; V25-I119 HydrophobicContact CG1-CG2 3.82Å; V25-I119 HydrophobicContact CG2-CB 4.25Å; V25-I119 HydrophobicContact CG2-CG2 3.76Å; F83-I119 HydrophobicContact CB-CD1 4.29Å; F83-I119 HydrophobicContact CD1-CD1 3.7Å; F83-I119 HydrophobicContact CD2-CD1 3.91Å; F83-I119 HydrophobicContact CE1-CD1 3.94Å; F83-I119 HydrophobicContact CE2-CD1 4.16Å; F83-I119 HydrophobicContact CG-CD1 3.68Å; F83-I119 HydrophobicContact CZ-CD1 4.16Å; M90-I119 HydrophobicContact CB-CG2 4.02Å; M90-I119 HydrophobicContact CE-CG2 4.19Å; M90-I119 HydrophobicContact CG-CG2 4.12Å; V92-I119 HydrophobicContact CG2-CD1 3.83Å; V92-I119 HydrophobicContact CG2-CG1 3.9Å; L115-I119 HydrophobicContact CD1-CD1 3.92Å; L115-I119 HydrophobicContact CD1-CG1 4.18Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.29Å; I116-I119 PolarHBondContact O-N 3.32Å; I119-G122 PolarHBondContact O-N 3.18Å; I119-A123 VanDerWaalsContact O-CB 3.31Å; I119-A123 WeakPolarHBondContact O-CB 3.11Å; I119-A123 PolarHBondContact O-N 2.98Å; I119-V130 HydrophobicContact CG1-CG2 3.8Å
120Y98.7Very high98.1Very high55 Ų5556 Ų5622%0.21628%0.276CS..Hα-helixtrans-58.7-52-179.7179.8-100.3000111.6E23 V25 M55 F85 I116 E117 G122 A123 M124E23-Y120 WeakPolarHBondContact O-CE2 3.48Å; V25-Y120 HydrophobicContact CG2-CD2 4.22Å; M55-Y120 HydrophobicContact CB-CD1 4.44Å; M55-Y120 HydrophobicContact CB-CD2 4.03Å; M55-Y120 HydrophobicContact CB-CE2 4.48Å; M55-Y120 HydrophobicContact CB-CG 4.01Å; M55-Y120 HydrophobicContact CG-CD1 3.93Å; M55-Y120 HydrophobicContact CG-CD2 4.3Å; M55-Y120 HydrophobicContact CG-CE1 4.16Å; M55-Y120 HydrophobicContact CG-CG 4.01Å; M55-Y120 WeakPolarHBondContact O-CD2 3.4Å; M55-Y120 HydrophobicContact SD-CD1 4Å; M55-Y120 HydrophobicContact SD-CG 4.31Å; F85-Y120 AromaticContact CE2-CD2 3.9Å; F85-Y120 HydrophobicContact CE2-CD2 3.9Å; F85-Y120 HydrophobicContact CE2-CE2 4Å; I116-Y120 VanDerWaalsContact O-CB 3.25Å; I116-Y120 WeakPolarHBondContact O-CB 3.28Å; I116-Y120 PolarHBondContact O-N 2.94Å; E117-Y120 PolarHBondContact O-N 3.1Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.41Å; Y120-A123 PolarHBondContact O-N 2.85Å; Y120-M124 HydrophobicContact CD1-CG 4.26Å; Y120-M124 HydrophobicContact CD2-CG 4.46Å; Y120-M124 HydrophobicContact CE1-CG 3.91Å; Y120-M124 HydrophobicContact CE2-CG 4.13Å; Y120-M124 HydrophobicContact CE2-SD 4.34Å; Y120-M124 WeakPolarHBondContact O-CB 3.11Å; Y120-M124 VanDerWaalsContact O-CG 3.23Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 3.04Å
121R98.4Very high98.1Very high139 Ų13958.3 Ų58.353%0.52529%0.286SS..Hα-helixtrans-62.8-36.8178.7-70.9175.9-178.3-936.2112.3E117 R125E117-R121 HydrophobicContact CG-CG 4.38Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.2Å; E117-R121 PolarHBondContact O-N 3.46Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 IonicContact OE1-NE 3.35Å; E117-R121 PolarHBondContact OE1-NE 3.46Å; E117-R121 IonicContact OE1-NH2 2.66Å; E117-R121 PolarHBondContact OE1-NH2 2.93Å; R121-R125 WeakPolarHBondContact O-CG 3.21Å; R121-R125 PolarHBondContact O-N 3.17Å
122G98.6Very high98.1Very high6 Ų658.3 Ų58.36%0.06229%0.288CS..Hα-helixtrans-65.5-48.7175.700000112.2V118 I119 Y120 R125 G126 K127V118-G122 PolarHBondContact O-N 2.82Å; I119-G122 PolarHBondContact O-N 3.18Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.41Å; G122-R125 CarbonylContact O-C 3.55Å; G122-R125 WeakPolarHBondContact O-CA 3.37Å; G122-R125 PolarHBondContact O-N 3.03Å; G122-G126 PolarHBondContact O-N 3.29Å; G122-K127 WeakPolarHBondContact O-CB 3.23Å; G122-K127 PolarHBondContact O-N 3.36Å
123A98.3Very high97.9Very high10 Ų1061.2 Ų61.28%0.08331%0.306CS..Hα-helixtrans-65.5-40.1-179.600000112.2F85 M90 I119 Y120 R125 G126F85-A123 HydrophobicContact CB-CB 3.65Å; F85-A123 HydrophobicContact CD1-CB 3.57Å; F85-A123 HydrophobicContact CD2-CB 3.68Å; F85-A123 HydrophobicContact CE1-CB 4.1Å; F85-A123 HydrophobicContact CE2-CB 4.21Å; F85-A123 HydrophobicContact CG-CB 3.34Å; F85-A123 HydrophobicContact CZ-CB 4.4Å; M90-A123 HydrophobicContact CE-CB 3.76Å; M90-A123 HydrophobicContact SD-CB 3.83Å; I119-A123 VanDerWaalsContact O-CB 3.31Å; I119-A123 WeakPolarHBondContact O-CB 3.11Å; I119-A123 PolarHBondContact O-N 2.98Å; Y120-A123 PolarHBondContact O-N 2.85Å; A123-R125 PolarHBondContact O-N 3.22Å; A123-R125 VanDerWaalsContact O-N 3.11Å; A123-G126 PolarHBondContact O-N 3.43Å
124M97.8Very high97.6Very high102 Ų10260.5 Ų60.550%0.50230%0.303SS..THydrogen-bonded Turntrans-59.9-20.9172.5-73.2-63.3-68.700113.2F85 Y120F85-M124 HydrophobicContact CE1-SD 4.31Å; F85-M124 HydrophobicContact CE2-SD 4.41Å; F85-M124 HydrophobicContact CZ-CG 4.17Å; F85-M124 HydrophobicContact CZ-SD 3.56Å; F85-M124 VanDerWaalsContact CZ-SD 3.56Å; Y120-M124 HydrophobicContact CD1-CG 4.26Å; Y120-M124 HydrophobicContact CD2-CG 4.46Å; Y120-M124 HydrophobicContact CE1-CG 3.91Å; Y120-M124 HydrophobicContact CE2-CG 4.13Å; Y120-M124 HydrophobicContact CE2-SD 4.34Å; Y120-M124 WeakPolarHBondContact O-CB 3.11Å; Y120-M124 VanDerWaalsContact O-CG 3.23Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 3.04Å
125R97.8Very high97.1Very high196 Ų19661.4 Ų61.474%0.7431%0.308SS*.THydrogen-bonded Turntrans-98.510.1174.5-65.7176.4-179.5-172.21.2113.1R121 G122 A123 K127R121-R125 WeakPolarHBondContact O-CG 3.21Å; R121-R125 PolarHBondContact O-N 3.17Å; G122-R125 CarbonylContact O-C 3.55Å; G122-R125 WeakPolarHBondContact O-CA 3.37Å; G122-R125 PolarHBondContact O-N 3.03Å; A123-R125 PolarHBondContact O-N 3.22Å; A123-R125 VanDerWaalsContact O-N 3.11Å; R125-K127 VanDerWaalsContact C-N 3.34Å; R125-K127 PolarHBondContact O-N 3.22Å
126G96.7Very high96.5Very high62 Ų6265.7 Ų65.764%0.63934%0.336SS*.THydrogen-bonded Turntrans75.715.3178.900000115G122 A123G122-G126 PolarHBondContact O-N 3.29Å; A123-G126 PolarHBondContact O-N 3.43Å
127K97.9Very high95.9Very high114 Ų11473.9 Ų73.950%0.49637%0.371SS..  trans-75.5144.3172.8-61.9-172.5175.1-171.40110.2M90 G122 R125 V130M90-K127 VanDerWaalsContact CE-O 3.24Å; M90-K127 WeakPolarHBondContact CE-O 3.47Å; G122-K127 WeakPolarHBondContact O-CB 3.23Å; G122-K127 PolarHBondContact O-N 3.36Å; R125-K127 VanDerWaalsContact C-N 3.34Å; R125-K127 PolarHBondContact O-N 3.22Å; K127-V130 HydrophobicContact CD-CG1 4.49Å
128L97.3Very high95.3Very high94 Ų9472.6 Ų72.649%0.49237%0.366SS..SBendtrans-102.1-11.7171.3-62.2178.5000113Q88 K91Q88-L128 HydrophobicContact CB-CD2 4.09Å; K91-L128 PolarHBondContact N-O 3.09Å
129I98.3Very high94.5Very high79 Ų7971.7 Ų71.741%0.40536%0.36SS..EExtended strand (participates in β ladder)trans-138.2139176.7-170.3167.7000109.8K91 H99K91-I129 HydrophobicContact CB-CB 4.09Å; K91-I129 HydrophobicContact CB-CD1 4.11Å; K91-I129 HydrophobicContact CB-CG1 3.86Å; K91-I129 VanDerWaalsContact O-CA 3.29Å; K91-I129 WeakPolarHBondContact O-CA 3.33Å; H99-I129 HydrophobicContact CB-CD1 4.37Å
130V98.4Very high93.7Very high12 Ų1273.5 Ų73.57%0.07337%0.372CS..EExtended strand (participates in β ladder)trans-128.4158.4174.5-65.70000110.3K91 V92 D93 V118 I119 K127K91-V130 PolarHBondContact O-N 2.86Å; K91-V130 VanDerWaalsContact O-N 3.11Å; V92-V130 CarbonylContact C-O 3.5Å; V92-V130 VanDerWaalsContact CA-O 3.3Å; V92-V130 WeakPolarHBondContact CA-O 3.27Å; V92-V130 HydrophobicContact CB-CG2 4.42Å; V92-V130 HydrophobicContact CG1-CG2 4.24Å; V92-V130 HydrophobicContact CG2-CG2 3.91Å; D93-V130 PolarHBondContact N-O 3Å; V118-V130 HydrophobicContact CG1-CB 3.94Å; V118-V130 HydrophobicContact CG1-CG1 4.44Å; V118-V130 HydrophobicContact CG1-CG2 4.12Å; I119-V130 HydrophobicContact CG1-CG2 3.8Å; K127-V130 HydrophobicContact CD-CG1 4.49Å
131Q97.8Very high92.6Very high151 Ų15179.6 Ų79.671%0.70640%0.399SS*.EExtended strand (participates in β ladder)trans-91.7133.7171-173.3176.53.600108.9V118V118-Q131 WeakPolarHBondContact CG1-O 3.18Å
132S96.3Very high91Very high16 Ų1677.2 Ų77.211%0.11239%0.391CS..  trans-61.3136.7178-178.60000111.3D93 Y94 I134D93-S132 WeakPolarHBondContact O-CB 3.35Å; D93-S132 PolarHBondContact O-N 2.82Å; Y94-S132 VanDerWaalsContact CD1-CB 3.47Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact OG-N 2.77Å
133P94.3Very high88.8Confident61 Ų6183.5 Ų83.540%0.39642%0.423SS..  trans-81.7-10.4172.734.2-35.2000113.3D114 V118D114-P133 HydrophobicContact CB-CG 3.89Å; V118-P133 HydrophobicContact CB-CG 4.25Å; V118-P133 HydrophobicContact CG2-CB 3.9Å; V118-P133 HydrophobicContact CG2-CG 3.64Å
134I92.6Very high86.7Confident11 Ų1186.6 Ų86.66%0.05644%0.438CS..SBendtrans-70.1138.1-172.5-58.2168000109.7F106 D111 L115 S132 P136 N138 I139F106-I134 HydrophobicContact CD1-CD1 3.88Å; F106-I134 HydrophobicContact CE1-CD1 3.7Å; D111-I134 HydrophobicContact CB-CD1 4.17Å; D111-I134 HydrophobicContact CB-CG1 4.06Å; D111-I134 HydrophobicContact CB-CG2 4.22Å; L115-I134 HydrophobicContact CB-CD1 4.04Å; L115-I134 HydrophobicContact CB-CG1 4.48Å; L115-I134 HydrophobicContact CD2-CD1 4.18Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact OG-N 2.77Å; I134-P136 WeakPolarHBondContact O-CD 3.46Å; I134-N138 HydrophobicContact CG2-CB 3.85Å; I134-I139 HydrophobicContact CB-CG1 4.31Å; I134-I139 HydrophobicContact CG2-CG1 3.99Å
135D87.6Confident84.1Confident75 Ų7588.4 Ų88.440%0.40145%0.449SS..  trans-54.4124.7171.7-176.6-26.8000109.2K137 N138 I139D135-K137 PolarHBondContact O-N 3.01Å; D135-K137 WeakPolarHBondContact OD1-CB 3.29Å; D135-K137 WeakPolarHBondContact OD1-CG 3.41Å; D135-K137 PolarHBondContact OD1-N 3.37Å; D135-N138 WeakPolarHBondContact O-CA 3.13Å; D135-N138 WeakPolarHBondContact O-CB 3.48Å; D135-N138 PolarHBondContact O-N 3.29Å; D135-I139 PolarHBondContact O-N 3.25Å
136P85.1Confident81.5Confident90 Ų9087.5 Ų87.558%0.58445%0.447SS*.THydrogen-bonded Turntrans-52.5-22.7178.1-28.535.4000114.9I134 N138 I139I134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-N138 VanDerWaalsContact C-N 3.29Å; P136-I139 PolarHBondContact O-N 3.37Å
137K86.1Confident78.6Confident171 Ų17192.9 Ų92.974%0.74346%0.455SS*.THydrogen-bonded Turntrans-71.2-22.7173.6-64.2173.3-176169.80113.7D135D135-K137 PolarHBondContact O-N 3.01Å; D135-K137 WeakPolarHBondContact OD1-CB 3.29Å; D135-K137 WeakPolarHBondContact OD1-CG 3.41Å; D135-K137 PolarHBondContact OD1-N 3.37Å
138N86Confident75.5Confident36 Ų3695.2 Ų95.219%0.19347%0.473CS..THydrogen-bonded Turntrans-94.1-10.7178.5-63.9-14.4000112K107 I134 D135 P136K107-N138 HydrophobicContact CB-CB 4.2Å; K107-N138 HydrophobicContact CD-CB 3.94Å; K107-N138 VanDerWaalsContact CD-CG 3.47Å; K107-N138 WeakPolarHBondContact CD-OD1 3.47Å; K107-N138 PolarHBondContact NZ-OD1 2.93Å; I134-N138 HydrophobicContact CG2-CB 3.85Å; D135-N138 WeakPolarHBondContact O-CA 3.13Å; D135-N138 WeakPolarHBondContact O-CB 3.48Å; D135-N138 PolarHBondContact O-N 3.29Å; P136-N138 VanDerWaalsContact C-N 3.29Å
139I82.9Confident72.7Confident25 Ų25102 Ų10213%0.12851%0.507CS..SBendtrans-75.9124.6174.8-59179000108.2Y94 I134 D135 P136 K141Y94-I139 HydrophobicContact CD1-CD1 4.44Å; Y94-I139 VanDerWaalsContact O-CD1 3.3Å; Y94-I139 WeakPolarHBondContact O-CD1 3.49Å; I134-I139 HydrophobicContact CB-CG1 4.31Å; I134-I139 HydrophobicContact CG2-CG1 3.99Å; D135-I139 PolarHBondContact O-N 3.25Å; P136-I139 PolarHBondContact O-N 3.37Å; I139-K141 PolarHBondContact O-N 2.77Å
140P81.4Confident71.4Confident39 Ų39103.1 Ų103.125%0.25351%0.512SS..  trans-54.3126.6174.5-27.236.2000111.2F102 S105 Y142F102-P140 HydrophobicContact CZ-CG 4.19Å; S105-P140 WeakPolarHBondContact O-CG 3.38Å; P140-Y142 HydrophobicContact CB-CD2 4Å; P140-Y142 HydrophobicContact CB-CE2 3.37Å; P140-Y142 HydrophobicContact CG-CE2 4.4Å
141K74.5Confident70Confident182 Ų182107.9 Ų107.979%0.79154%0.535SS*.  trans-95.7100.5174.6-63.1-176.1-178.2-175.70107.8I139I139-K141 PolarHBondContact O-N 2.77Å
142Y65.6Low68.5Low90 Ų90105.5 Ų105.535%0.35353%0.526SS..  trans-92.4124.2165.2-62.8-80.9000107V103 G104 P140 L144V103-Y142 HydrophobicContact CB-CD2 4.03Å; V103-Y142 HydrophobicContact CB-CE2 4.14Å; V103-Y142 HydrophobicContact CG1-CD2 3.67Å; V103-Y142 HydrophobicContact CG1-CE2 3.68Å; V103-Y142 HydrophobicContact CG1-CG 4.26Å; V103-Y142 WeakPolarHBondContact O-CE2 3.36Å; G104-Y142 WeakPolarHBondContact CA-OH 3.5Å; P140-Y142 HydrophobicContact CB-CD2 4Å; P140-Y142 HydrophobicContact CB-CE2 3.37Å; P140-Y142 HydrophobicContact CG-CE2 4.4Å; Y142-L144 PolarHBondContact O-N 2.85Å
143D53.1Low66.8Low138 Ų138110.8 Ų110.874%0.73855%0.55SS**  trans-66.792.3163.9-72.8-32.2000106.1L145D143-L145 HydrophobicContact CB-CG 4.48Å; D143-L145 PolarHBondContact O-N 2.8Å
144L53.3Low65.1Low74 Ų74113.9 Ų113.939%0.38756%0.56SS.*  trans-65.780.7161.9-66.8171000105.3Y77 Y142 Y146Y77-L144 HydrophobicContact CD2-CD2 4.24Å; Y77-L144 HydrophobicContact CE2-CD2 3.91Å; Y142-L144 PolarHBondContact O-N 2.85Å; L144-Y146 PolarHBondContact O-N 2.77Å
145L44.2Very low63.3Low141 Ų141120.7 Ų120.774%0.73859%0.593SS**  trans-61.692.2163-70.9168.1000104.4D143 Q147D143-L145 HydrophobicContact CB-CG 4.48Å; D143-L145 PolarHBondContact O-N 2.8Å; L145-Q147 PolarHBondContact O-N 2.96Å
146Y42.5Very low61.5Low177 Ų177124 Ų12469%0.69461%0.607SS**  trans-52.2102152.8-83.5-90000104.1L144 D148L144-Y146 PolarHBondContact O-N 2.77Å; Y146-D148 VanDerWaalsContact C-N 3.26Å; Y146-D148 PolarHBondContact O-N 2.83Å
147Q35.4Very low59.7Low175 Ų175126.6 Ų126.682%0.81861%0.609SS**  trans-62.5106.9161-76.2-165-22.600103.9L145 I149L145-Q147 PolarHBondContact O-N 2.96Å; Q147-I149 PolarHBondContact O-N 2.98Å
148D34Very low57.5Low163 Ų163122.9 Ų122.987%0.87260%0.598SS**  trans-45.7111.2170.9-67.5-51.6000107.9Y146Y146-D148 VanDerWaalsContact C-N 3.26Å; Y146-D148 PolarHBondContact O-N 2.83Å
149I37.3Very low54.9Low235 Ų235130.8 Ų130.8100%1.20563%0.634SS**  trans-91.80162.8-59.6176.7000106.9Q147Q147-I149 PolarHBondContact O-N 2.98Å

Retrieved 149 of 149 residues in 479.8 ms (Link to these results)

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