G4VLU1_SCHMA Loading...

2-(3-amino-3-carboxypropyl)histidine synthase subunit 1

Catalyzes the first step of diphthamide biosynthesis, a post-translational modification of histidine which occurs in elongation factor 2.

AlphaFold DB , UniProt , Accession G4VLU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 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
1M31.9Very low59.7Low235 Ų235131 Ų131100%1.15862%0.617SS**  0137.40-69.8-165.517500108S3M1-S3 PolarHBondContact O-N 3.27Å
2P31.3Very low62.5Low126 Ų126121.9 Ų121.982%0.81858%0.578SS**PPolyproline II helixtrans-62.7132172.528-30.5000107.8K4P2-K4 PolarHBondContact O-N 2.65Å
3S41.6Very low64.9Low45 Ų45120.3 Ų120.332%0.31558%0.575SS.*PPolyproline II helixtrans-57.9127.5178.960.10000110.2M1 R5 S89M1-S3 PolarHBondContact O-N 3.27Å; S3-R5 PolarHBondContact O-N 3.27Å; S3-S89 WeakPolarHBondContact CB-OG 3.48Å; S3-S89 PolarHBondContact OG-O 2.87Å; S3-S89 PolarHBondContact OG-OG 3.04Å
4K47.3Very low66.9Low192 Ų192119.4 Ų119.484%0.83556%0.563SS**PPolyproline II helixtrans-55.8117.3175.9-76.2-179.5176.6178.10108.2P2 I6P2-K4 PolarHBondContact O-N 2.65Å; K4-I6 PolarHBondContact O-N 2.76Å
5R49.3Very low68.8Low228 Ų228111.5 Ų111.586%0.8653%0.526SS*.PPolyproline II helixtrans-55.7123.4168.1-80.5-178.1178.2177.2-0.9107.3S3 L7S3-R5 PolarHBondContact O-N 3.27Å; R5-L7 PolarHBondContact O-N 2.55Å
6I60Low70.5Confident60 Ų60108.7 Ų108.731%0.30852%0.515SS..PPolyproline II helixtrans-61.7122.4170.9-64.1177.6000107.1K4 P8 W42 C46 I88K4-I6 PolarHBondContact O-N 2.76Å; I6-P8 WeakPolarHBondContact O-CD 3.12Å; I6-W42 HydrophobicContact CG2-CH2 4.1Å; I6-W42 HydrophobicContact CG2-CZ2 3.73Å; I6-C46 HydrophobicContact CG2-CB 4.27Å; I6-C46 WeakPolarHBondContact CG2-SG 3.32Å; I6-I88 HydrophobicContact CD1-CB 4.36Å; I6-I88 HydrophobicContact CD1-CD1 3.94Å; I6-I88 HydrophobicContact CD1-CG1 3.91Å; I6-I88 HydrophobicContact CD1-CG2 3.54Å; I6-I88 HydrophobicContact CG1-CG2 4.4Å
7L65.7Low72Confident104 Ų104109.3 Ų109.355%0.54552%0.522SS..  trans-95.396.2171.7-67.5174.2000107.4R5 W9 K10 W42R5-L7 PolarHBondContact O-N 2.55Å; L7-W9 PolarHBondContact O-N 2.81Å; L7-K10 HydrophobicContact CB-CB 4.25Å; L7-K10 PolarHBondContact O-N 3.25Å; L7-K10 VanDerWaalsContact O-N 3.12Å; L7-W42 PolarHBondContact O-NE1 3.44Å
8P71.9Confident73.4Confident43 Ų43104.7 Ų104.728%0.27950%0.501SS..THydrogen-bonded Turntrans-62.3-19.3-174.424.5-33.9000113I6 W42I6-P8 WeakPolarHBondContact O-CD 3.12Å; P8-W42 PolarHBondContact O-NE1 3.19Å
9W76.2Confident74.6Confident233 Ų233104.4 Ų104.488%0.88351%0.508SS*.THydrogen-bonded Turntrans-87.9-17.3-178.1-34.8106.4000114L7L7-W9 PolarHBondContact O-N 2.81Å
10K88.5Confident75.6Confident136 Ų136104 Ų10459%0.59151%0.508SS*.SBendtrans-110.3109.4-178.9-173.1177.4180-178.20109.3L7 W42L7-K10 HydrophobicContact CB-CB 4.25Å; L7-K10 PolarHBondContact O-N 3.25Å; L7-K10 VanDerWaalsContact O-N 3.12Å; K10-W42 PolarHBondContact O-NE1 2.9Å
11I92.8Very high76.7Confident39 Ų3999.1 Ų99.120%0.248%0.484CS..  trans-67.4129.5173.7-51.8173.4000107.9L15 L16 H38 K39 W42I11-L15 HydrophobicContact CG2-CB 4.32Å; I11-L15 HydrophobicContact CG2-CD2 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; I11-L16 HydrophobicContact CB-CD1 4.43Å; I11-L16 HydrophobicContact CB-CD2 4.29Å; I11-L16 HydrophobicContact CB-CG 4.32Å; I11-L16 HydrophobicContact CD1-CD2 4.43Å; I11-L16 HydrophobicContact CG2-CD1 4.44Å; I11-L16 HydrophobicContact CG2-CD2 3.83Å; I11-L16 HydrophobicContact CG2-CG 3.82Å; I11-H38 HydrophobicContact CD1-CB 4.21Å; I11-H38 HydrophobicContact CG2-CB 4.16Å; I11-K39 HydrophobicContact CD1-CB 3.76Å; I11-K39 HydrophobicContact CD1-CG 4.33Å; I11-W42 HydrophobicContact CG2-CB 4.43Å
12P93.5Very high79.8Confident22 Ų2290.7 Ų90.714%0.14344%0.444CS..  trans-68.8146.3178-20.532.7000113.3W14 L15 L16 W42P12-W14 VanDerWaalsContact C-N 3.27Å; P12-W14 VanDerWaalsContact CB-CD1 3.42Å; P12-W14 HydrophobicContact CB-CD2 4.15Å; P12-W14 HydrophobicContact CB-CG 4.06Å; P12-W14 HydrophobicContact CB-CZ2 4.15Å; P12-W14 HydrophobicContact CG-CZ2 3.91Å; P12-W14 PolarHBondContact O-N 2.71Å; P12-L15 WeakPolarHBondContact O-CB 3.49Å; P12-L15 PolarHBondContact O-N 2.92Å; P12-L16 PolarHBondContact O-N 3.36Å; P12-W42 HydrophobicContact CG-CD2 4.08Å; P12-W42 HydrophobicContact CG-CE3 3.79Å; P12-W42 HydrophobicContact CG-CH2 3.69Å; P12-W42 HydrophobicContact CG-CZ2 3.94Å; P12-W42 HydrophobicContact CG-CZ3 3.61Å
13D93.9Very high82.9Confident101 Ų10190.6 Ų90.654%0.5443%0.431SS..Hα-helixtrans-58.4-38.9179.4-52.9-29.1000112L15 L16 D17D13-L15 PolarHBondContact O-N 2.79Å; D13-L15 VanDerWaalsContact O-N 3.1Å; D13-L16 PolarHBondContact O-N 3.17Å; D13-L16 VanDerWaalsContact O-N 3.09Å; D13-D17 WeakPolarHBondContact O-CB 3.42Å; D13-D17 PolarHBondContact O-N 3.24Å
14W93.4Very high85.6Confident108 Ų10890.1 Ų90.141%0.40943%0.427SS..Hα-helixtrans-59.9-26.3177.963.8-105.4000113.7P12 W42 Y74 L86P12-W14 VanDerWaalsContact C-N 3.27Å; P12-W14 VanDerWaalsContact CB-CD1 3.42Å; P12-W14 HydrophobicContact CB-CD2 4.15Å; P12-W14 HydrophobicContact CB-CG 4.06Å; P12-W14 HydrophobicContact CB-CZ2 4.15Å; P12-W14 HydrophobicContact CG-CZ2 3.91Å; P12-W14 PolarHBondContact O-N 2.71Å; W14-W42 HydrophobicContact CZ2-CE3 4.4Å; W14-W42 HydrophobicContact CZ2-CZ3 4.04Å; W14-Y74 WeakPolarHBondContact CZ3-OH 3.47Å; W14-L86 HydrophobicContact CZ2-CD1 3.87Å
15L95Very high88Confident0 Ų082.6 Ų82.60%040%0.396CS..Hα-helixtrans-85.1-40.9176.3-18054.7000110.5I11 P12 D13 D17 D18 L21 H38 I41 W42 Y74I11-L15 HydrophobicContact CG2-CB 4.32Å; I11-L15 HydrophobicContact CG2-CD2 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; P12-L15 WeakPolarHBondContact O-CB 3.49Å; P12-L15 PolarHBondContact O-N 2.92Å; D13-L15 PolarHBondContact O-N 2.79Å; D13-L15 VanDerWaalsContact O-N 3.1Å; L15-D17 VanDerWaalsContact C-N 3.27Å; L15-D17 PolarHBondContact O-N 3.25Å; L15-D18 PolarHBondContact O-N 3.09Å; L15-L21 HydrophobicContact CD1-CD2 3.6Å; L15-H38 WeakPolarHBondContact CD2-O 3.47Å; L15-H38 PolarHBondContact O-CD2 3.44Å; L15-I41 HydrophobicContact CD1-CB 4.48Å; L15-I41 HydrophobicContact CD1-CG2 3.81Å; L15-I41 HydrophobicContact CD2-CB 4.26Å; L15-I41 HydrophobicContact CD2-CG2 3.88Å; L15-W42 HydrophobicContact CD2-CB 3.9Å; L15-Y74 HydrophobicContact CD1-CD2 4.46Å; L15-Y74 HydrophobicContact CD1-CE2 3.58Å
16L95.9Very high90.2Very high67 Ų6776 Ų7635%0.35139%0.385SS..Hα-helixtrans-63.9-34.4176.9-67.9171.6000112.2I11 P12 D13 N22 H38I11-L16 HydrophobicContact CB-CD1 4.43Å; I11-L16 HydrophobicContact CB-CD2 4.29Å; I11-L16 HydrophobicContact CB-CG 4.32Å; I11-L16 HydrophobicContact CD1-CD2 4.43Å; I11-L16 HydrophobicContact CG2-CD1 4.44Å; I11-L16 HydrophobicContact CG2-CD2 3.83Å; I11-L16 HydrophobicContact CG2-CG 3.82Å; P12-L16 PolarHBondContact O-N 3.36Å; D13-L16 PolarHBondContact O-N 3.17Å; D13-L16 VanDerWaalsContact O-N 3.09Å; L16-N22 PolarHBondContact O-ND2 3.01Å; L16-H38 HydrophobicContact CD2-CB 4.03Å
17D96.1Very high91.9Very high119 Ų11978.7 Ų78.764%0.63640%0.396SS*.THydrogen-bonded Turntrans-94.87.9-176.4-62-33.2000112.7D13 L15 P19D13-D17 WeakPolarHBondContact O-CB 3.42Å; D13-D17 PolarHBondContact O-N 3.24Å; L15-D17 VanDerWaalsContact C-N 3.27Å; L15-D17 PolarHBondContact O-N 3.25Å; D17-P19 WeakPolarHBondContact O-CD 3.44Å; D17-P19 VanDerWaalsContact O-N 3.13Å
18D96.5Very high93.4Very high26 Ų2680.3 Ų80.314%0.13940%0.396CS..  trans-66.4111179.9-175.5-59.4000110.5L15 L20 L21 N22 R77L15-D18 PolarHBondContact O-N 3.09Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.28Å; D18-L20 PolarHBondContact OD1-N 3.33Å; D18-L20 VanDerWaalsContact OD1-N 3.13Å; D18-L21 HydrophobicContact CB-CB 3.88Å; D18-L21 PolarHBondContact O-N 3.34Å; D18-L21 WeakPolarHBondContact OD1-CB 3.17Å; D18-L21 PolarHBondContact OD1-N 3.47Å; D18-N22 WeakPolarHBondContact O-CB 3.22Å; D18-N22 PolarHBondContact O-N 3.2Å; D18-N22 PolarHBondContact O-ND2 3Å; D18-R77 IonicContact OD1-CZ 3.66Å; D18-R77 IonicContact OD1-NH1 3.97Å; D18-R77 IonicContact OD1-NH2 2.78Å; D18-R77 PolarHBondContact OD1-NH2 2.9Å; D18-R77 IonicContact OD2-CZ 3.73Å; D18-R77 IonicContact OD2-NH2 2.64Å; D18-R77 PolarHBondContact OD2-NH2 2.9Å
19P96.4Very high94.6Very high100 Ų10078.8 Ų78.865%0.64939%0.385SS*.Hα-helixtrans-69.7-31.8-168.526.5-34.4000112.6D17 K23D17-P19 WeakPolarHBondContact O-CD 3.44Å; D17-P19 VanDerWaalsContact O-N 3.13Å; P19-K23 VanDerWaalsContact O-CB 3.28Å; P19-K23 WeakPolarHBondContact O-CB 3.49Å; P19-K23 PolarHBondContact O-N 3.41Å
20L96Very high95.5Very high95 Ų9569.6 Ų69.650%0.49736%0.355SS..Hα-helixtrans-79.4-37.1-178.1-70.2175.2000111.2D18 S24D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.28Å; D18-L20 PolarHBondContact OD1-N 3.33Å; D18-L20 VanDerWaalsContact OD1-N 3.13Å; L20-S24 PolarHBondContact O-N 2.73Å; L20-S24 PolarHBondContact O-OG 3.32Å
21L97Very high95.8Very high2 Ų268.9 Ų68.91%0.0136%0.362CS..Hα-helixtrans-64-49.5172.6176.658.9000110.1L15 D18 K23 S24 I25 I37 H38 I41 I70 Y74L15-L21 HydrophobicContact CD1-CD2 3.6Å; D18-L21 HydrophobicContact CB-CB 3.88Å; D18-L21 PolarHBondContact O-N 3.34Å; D18-L21 WeakPolarHBondContact OD1-CB 3.17Å; D18-L21 PolarHBondContact OD1-N 3.47Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 2.93Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 VanDerWaalsContact O-N 3.09Å; L21-I25 HydrophobicContact CD1-CD1 3.96Å; L21-I25 HydrophobicContact CD1-CG1 4.23Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.84Å; L21-I37 HydrophobicContact CD1-CG2 4.18Å; L21-H38 VanDerWaalsContact CD2-CD2 3.45Å; L21-H38 WeakPolarHBondContact CD2-CD2 3.48Å; L21-I41 HydrophobicContact CD1-CD1 3.63Å; L21-I41 HydrophobicContact CD2-CD1 3.66Å; L21-I41 HydrophobicContact CG-CD1 4.32Å; L21-I70 HydrophobicContact CD1-CG2 3.56Å; L21-Y74 HydrophobicContact CB-CD2 4.41Å; L21-Y74 HydrophobicContact CD1-CD2 4.5Å; L21-Y74 HydrophobicContact CD2-CD2 4.04Å; L21-Y74 HydrophobicContact CD2-CE2 4.3Å
22N97.5Very high95.9Very high58 Ų5872.1 Ų72.131%0.3138%0.376SS..Hα-helixtrans-59.9-39177.4-78.4-40.1000112.8L16 D18 S26 H38L16-N22 PolarHBondContact O-ND2 3.01Å; D18-N22 WeakPolarHBondContact O-CB 3.22Å; D18-N22 PolarHBondContact O-N 3.2Å; D18-N22 PolarHBondContact O-ND2 3Å; N22-S26 PolarHBondContact O-N 3.28Å; N22-S26 PolarHBondContact O-OG 2.97Å; N22-H38 PolarHBondContact OD1-CE1 2.68Å; N22-H38 PolarHBondContact OD1-NE2 2.98Å; N22-H38 VanDerWaalsContact OD1-NE2 3.15Å
23K97.2Very high96Very high125 Ų12573.9 Ų73.954%0.54338%0.38SS..Hα-helixtrans-61.7-48.4172.3-175.2-177.3174.9-170.80111.4P19 L21 I25 S26 E27P19-K23 VanDerWaalsContact O-CB 3.28Å; P19-K23 WeakPolarHBondContact O-CB 3.49Å; P19-K23 PolarHBondContact O-N 3.41Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 2.93Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 2.87Å; K23-S26 PolarHBondContact O-N 3.38Å; K23-S26 PolarHBondContact O-OG 3.21Å; K23-E27 WeakPolarHBondContact CE-OE2 3.25Å; K23-E27 VanDerWaalsContact O-CB 3.25Å; K23-E27 WeakPolarHBondContact O-CB 3.19Å; K23-E27 PolarHBondContact O-N 2.98Å
24S96.7Very high96.2Very high34 Ų3473 Ų7324%0.23838%0.376CS..Hα-helixtrans-62.3-40.9-179.6-52.90000111.8L20 L21 Y28L20-S24 PolarHBondContact O-N 2.73Å; L20-S24 PolarHBondContact O-OG 3.32Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 VanDerWaalsContact O-N 3.09Å; S24-Y28 VanDerWaalsContact O-CD2 3.24Å; S24-Y28 WeakPolarHBondContact O-CD2 3.06Å; S24-Y28 PolarHBondContact O-N 3.45Å; S24-Y28 VanDerWaalsContact O-N 3.14Å
25I97.6Very high96.3Very high35 Ų3568.1 Ų68.118%0.17936%0.357CS..Hα-helixtrans-60.6-51175.8-68.4166.2000110.6L21 K23 E27 L29 I37 I70L21-I25 HydrophobicContact CD1-CD1 3.96Å; L21-I25 HydrophobicContact CD1-CG1 4.23Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.84Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 2.87Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.2Å; I25-L29 HydrophobicContact CG2-CD1 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 PolarHBondContact O-N 3.41Å; I25-I37 HydrophobicContact CD1-CB 3.73Å; I25-I37 HydrophobicContact CD1-CG1 4.28Å; I25-I37 HydrophobicContact CD1-CG2 3.89Å; I25-I37 HydrophobicContact CG1-CB 4.09Å; I25-I37 HydrophobicContact CG1-CG1 4.15Å; I25-I37 HydrophobicContact CG1-CG2 4.1Å; I25-I70 HydrophobicContact CG1-CG2 4.35Å
26S96.3Very high96.4Very high90 Ų9070.6 Ų70.663%0.62937%0.369SS*.Hα-helixtrans-71.9-25.9-175.856.70000114.1N22 K23N22-S26 PolarHBondContact O-N 3.28Å; N22-S26 PolarHBondContact O-OG 2.97Å; K23-S26 PolarHBondContact O-N 3.38Å; K23-S26 PolarHBondContact O-OG 3.21Å
27E96.5Very high96.5Very high115 Ų11567.7 Ų67.754%0.53735%0.354SS..Hα-helixtrans-79.9-35.5178.6-172.1168.2179.600112.6K23 I25K23-E27 WeakPolarHBondContact CE-OE2 3.25Å; K23-E27 VanDerWaalsContact O-CB 3.25Å; K23-E27 WeakPolarHBondContact O-CB 3.19Å; K23-E27 PolarHBondContact O-N 2.98Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.2Å
28Y96.3Very high96.6Very high138 Ų13863.4 Ų63.454%0.54133%0.33SS..Hα-helixtrans-111.7-15.2-171-63.3-68.9000115.4S24S24-Y28 VanDerWaalsContact O-CD2 3.24Å; S24-Y28 WeakPolarHBondContact O-CD2 3.06Å; S24-Y28 PolarHBondContact O-N 3.45Å; S24-Y28 VanDerWaalsContact O-N 3.14Å
29L97.5Very high96.6Very high12 Ų1265.7 Ų65.76%0.06334%0.339CS..SBendtrans-114.6146.8179.6-54.9-179.2000111.1I25 V31 F35 I37 F63 P66 I67 I70I25-L29 HydrophobicContact CG2-CD1 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 PolarHBondContact O-N 3.41Å; L29-V31 PolarHBondContact O-N 3.03Å; L29-F35 HydrophobicContact CB-CD2 4.24Å; L29-F35 HydrophobicContact CB-CE2 4.43Å; L29-F35 HydrophobicContact CD1-CB 4.29Å; L29-F35 HydrophobicContact CD1-CD2 4.01Å; L29-F35 HydrophobicContact CD1-CG 4.37Å; L29-I37 HydrophobicContact CD1-CD1 3.93Å; L29-I37 HydrophobicContact CD1-CG1 3.73Å; L29-F63 HydrophobicContact CD2-CB 4.49Å; L29-F63 HydrophobicContact CD2-CD1 4.37Å; L29-P66 HydrophobicContact CD2-CB 3.96Å; L29-I67 HydrophobicContact CD1-CG1 4.08Å; L29-I67 HydrophobicContact CD2-CD1 4.37Å; L29-I67 HydrophobicContact CD2-CG1 3.77Å; L29-I70 HydrophobicContact CD1-CD1 3.93Å; L29-I70 HydrophobicContact CD2-CD1 4.36Å; L29-I70 HydrophobicContact CG-CD1 3.92Å
30P95.7Very high96.6Very high39 Ų3960.9 Ų60.925%0.25331%0.308SS..  trans-65.6128.7-178.622.4-30.8000111.4H32 Y33 F35 F63P30-H32 PolarHBondContact O-N 3.16Å; P30-H32 VanDerWaalsContact O-N 3.09Å; P30-Y33 HydrophobicContact CB-CD2 3.74Å; P30-Y33 HydrophobicContact CB-CE2 4.32Å; P30-Y33 HydrophobicContact CB-CG 4.34Å; P30-Y33 HydrophobicContact CG-CD1 4.47Å; P30-Y33 HydrophobicContact CG-CD2 3.65Å; P30-Y33 HydrophobicContact CG-CE2 4.32Å; P30-Y33 HydrophobicContact CG-CG 3.77Å; P30-Y33 PolarHBondContact O-N 2.73Å; P30-F35 HydrophobicContact CG-CE2 3.96Å; P30-F63 HydrophobicContact CG-CD1 4.49Å; P30-F63 HydrophobicContact CG-CE1 3.7Å; P30-F63 HydrophobicContact CG-CE2 4.43Å; P30-F63 HydrophobicContact CG-CZ 3.66Å
31V95Very high96.6Very high121 Ų12156.4 Ų56.473%0.73328%0.284SS*.THydrogen-bonded Turntrans-57-28.9-17462.30000114.3L29 Y33L29-V31 PolarHBondContact O-N 3.03Å; V31-Y33 VanDerWaalsContact C-N 3.35Å
32H94.2Very high96.5Very high107 Ų10757.4 Ų57.450%0.49529%0.288SS..THydrogen-bonded Turntrans-85.9-5.5-178.7-60.1-55.5000113.7P30 I154 Q155P30-H32 PolarHBondContact O-N 3.16Å; P30-H32 VanDerWaalsContact O-N 3.09Å; H32-I154 WeakPolarHBondContact O-CA 3.47Å; H32-Q155 HydrophobicContact CB-CB 4.38Å; H32-Q155 PolarHBondContact O-N 3.2Å
33Y96.4Very high96.4Very high59 Ų5958 Ų5823%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-108.8127.8-177.7-69.3-121.6000109.7P30 V31 F35 L60 V152 I154 Y256P30-Y33 HydrophobicContact CB-CD2 3.74Å; P30-Y33 HydrophobicContact CB-CE2 4.32Å; P30-Y33 HydrophobicContact CB-CG 4.34Å; P30-Y33 HydrophobicContact CG-CD1 4.47Å; P30-Y33 HydrophobicContact CG-CD2 3.65Å; P30-Y33 HydrophobicContact CG-CE2 4.32Å; P30-Y33 HydrophobicContact CG-CG 3.77Å; P30-Y33 PolarHBondContact O-N 2.73Å; V31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-F35 VanDerWaalsContact CB-CE2 3.5Å; Y33-F35 HydrophobicContact CD1-CE2 4.35Å; Y33-F35 HydrophobicContact CD1-CZ 4.18Å; Y33-F35 HydrophobicContact CG-CE2 4.22Å; Y33-L60 HydrophobicContact CD1-CD2 4.28Å; Y33-L60 HydrophobicContact CE1-CD2 4.11Å; Y33-V152 HydrophobicContact CD1-CG1 3.67Å; Y33-V152 HydrophobicContact CG-CG1 4.4Å; Y33-I154 HydrophobicContact CD1-CD1 3.98Å; Y33-I154 HydrophobicContact CD1-CG1 3.82Å; Y33-I154 HydrophobicContact CD2-CG2 4.49Å; Y33-I154 HydrophobicContact CE1-CD1 3.44Å; Y33-I154 VanDerWaalsContact CE1-CD1 3.44Å; Y33-I154 HydrophobicContact CE1-CG1 3.79Å; Y33-I154 HydrophobicContact CE2-CG2 4.2Å; Y33-I154 HydrophobicContact CG-CG1 4.23Å; Y33-Y256 PolarHBondContact OH-OH 3.4Å
34N96.2Very high96.3Very high84 Ų8452 Ų5245%0.44926%0.259SS..EExtended strand (participates in β ladder)trans-96.995.4174.3-175.96.9000111.6E36 V152 D153N34-E36 PolarHBondContact O-N 3.2Å; N34-E36 PolarHBondContact OD1-N 3.43Å; N34-V152 WeakPolarHBondContact O-CA 3.35Å; N34-D153 HydrophobicContact CB-CB 4.32Å; N34-D153 PolarHBondContact N-O 3.43Å
35F97.4Very high96.1Very high4 Ų452.3 Ų52.32%0.01826%0.257CS..  trans-79.54.5174.6-68.9-83.7000114.4L29 P30 Y33 I37 L60 F63 I67 Y134 V150 V152L29-F35 HydrophobicContact CB-CD2 4.24Å; L29-F35 HydrophobicContact CB-CE2 4.43Å; L29-F35 HydrophobicContact CD1-CB 4.29Å; L29-F35 HydrophobicContact CD1-CD2 4.01Å; L29-F35 HydrophobicContact CD1-CG 4.37Å; P30-F35 HydrophobicContact CG-CE2 3.96Å; Y33-F35 VanDerWaalsContact CB-CE2 3.5Å; Y33-F35 HydrophobicContact CD1-CE2 4.35Å; Y33-F35 HydrophobicContact CD1-CZ 4.18Å; Y33-F35 HydrophobicContact CG-CE2 4.22Å; F35-I37 HydrophobicContact CB-CD1 3.72Å; F35-I37 HydrophobicContact CB-CG1 4.06Å; F35-I37 PolarHBondContact O-N 3.12Å; F35-L60 HydrophobicContact CE1-CD2 4.31Å; F35-L60 HydrophobicContact CZ-CD2 4.29Å; F35-F63 HydrophobicContact CE1-CB 4.25Å; F35-F63 HydrophobicContact CE1-CD2 4.14Å; F35-F63 HydrophobicContact CE1-CG 4.35Å; F35-F63 HydrophobicContact CE2-CD2 4.5Å; F35-F63 HydrophobicContact CE2-CG 4.44Å; F35-F63 HydrophobicContact CZ-CB 4.1Å; F35-F63 HydrophobicContact CZ-CD1 4.42Å; F35-F63 AromaticContact CZ-CD2 3.54Å; F35-F63 HydrophobicContact CZ-CD2 3.54Å; F35-F63 HydrophobicContact CZ-CE2 4.04Å; F35-F63 AromaticContact CZ-CG 3.76Å; F35-F63 HydrophobicContact CZ-CG 3.76Å; F35-I67 HydrophobicContact CB-CD1 4.27Å; F35-I67 HydrophobicContact CD1-CD1 3.51Å; F35-I67 HydrophobicContact CE1-CD1 3.94Å; F35-I67 HydrophobicContact CG-CD1 3.9Å; F35-Y134 HydrophobicContact CB-CE1 4.23Å; F35-Y134 AromaticContact CD1-CD1 3.86Å; F35-Y134 HydrophobicContact CD1-CD1 3.86Å; F35-Y134 AromaticContact CD1-CE1 3.9Å; F35-Y134 HydrophobicContact CD1-CE1 3.9Å; F35-V150 WeakPolarHBondContact O-CG1 3.33Å; F35-V152 HydrophobicContact CD1-CG1 4.33Å; F35-V152 HydrophobicContact CD1-CG2 4Å; F35-V152 HydrophobicContact CE1-CG1 4.09Å; F35-V152 HydrophobicContact CE1-CG2 4.18Å; F35-V152 HydrophobicContact CZ-CG1 4.3Å
36E96.7Very high95.7Very high53 Ų5352 Ų5225%0.24826%0.257CS..  trans49.236178.8-58.7-167.9132.500114.5N34 H38 K39 T40 V150N34-E36 PolarHBondContact O-N 3.2Å; N34-E36 PolarHBondContact OD1-N 3.43Å; E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.2Å; E36-H38 VanDerWaalsContact O-N 3.17Å; E36-K39 HydrophobicContact CB-CB 4Å; E36-K39 HydrophobicContact CB-CD 4.16Å; E36-K39 VanDerWaalsContact CD-NZ 3.3Å; E36-K39 HydrophobicContact CG-CD 4.47Å; E36-K39 WeakPolarHBondContact O-CA 3.28Å; E36-K39 VanDerWaalsContact O-CB 3.23Å; E36-K39 WeakPolarHBondContact O-CB 2.96Å; E36-K39 PolarHBondContact O-N 3.06Å; E36-K39 IonicContact OE1-NZ 2.67Å; E36-K39 PolarHBondContact OE1-NZ 2.7Å; E36-K39 VanDerWaalsContact OE1-NZ 3.12Å; E36-K39 WeakPolarHBondContact OE2-CD 3.37Å; E36-K39 IonicContact OE2-NZ 3.26Å; E36-K39 PolarHBondContact OE2-NZ 2.91Å; E36-T40 PolarHBondContact O-N 3.36Å; E36-V150 HydrophobicContact CB-CG1 4.03Å; E36-V150 HydrophobicContact CB-CG2 4.47Å; E36-V150 HydrophobicContact CG-CG1 4.11Å
37I97.8Very high95.5Very high5 Ų550.4 Ų50.43%0.02624%0.242CC..Hα-helixtrans-54.5-42-172.7-58.2-57.3000112.8L21 I25 L29 F35 K39 T40 I41 I67 I70L21-I37 HydrophobicContact CD1-CG2 4.18Å; I25-I37 HydrophobicContact CD1-CB 3.73Å; I25-I37 HydrophobicContact CD1-CG1 4.28Å; I25-I37 HydrophobicContact CD1-CG2 3.89Å; I25-I37 HydrophobicContact CG1-CB 4.09Å; I25-I37 HydrophobicContact CG1-CG1 4.15Å; I25-I37 HydrophobicContact CG1-CG2 4.1Å; L29-I37 HydrophobicContact CD1-CD1 3.93Å; L29-I37 HydrophobicContact CD1-CG1 3.73Å; F35-I37 HydrophobicContact CB-CD1 3.72Å; F35-I37 HydrophobicContact CB-CG1 4.06Å; F35-I37 PolarHBondContact O-N 3.12Å; I37-K39 VanDerWaalsContact C-N 3.28Å; I37-K39 PolarHBondContact O-N 2.94Å; I37-T40 WeakPolarHBondContact O-CB 3.45Å; I37-T40 PolarHBondContact O-N 3.39Å; I37-I41 HydrophobicContact CG2-CD1 3.9Å; I37-I41 HydrophobicContact CG2-CG1 4.48Å; I37-I41 PolarHBondContact O-N 3.14Å; I37-I67 HydrophobicContact CD1-CD1 4.33Å; I37-I67 HydrophobicContact CD1-CG1 3.97Å; I37-I67 HydrophobicContact CD1-CG2 3.99Å; I37-I70 HydrophobicContact CG2-CG2 3.85Å
38H97.1Very high95.2Very high30 Ų3051 Ų5114%0.13924%0.239CC..Hα-helixtrans-57.6-40.3175.1-61.9103.3000112.7I11 L15 L16 L21 N22 E36 W42I11-H38 HydrophobicContact CD1-CB 4.21Å; I11-H38 HydrophobicContact CG2-CB 4.16Å; L15-H38 WeakPolarHBondContact CD2-O 3.47Å; L15-H38 PolarHBondContact O-CD2 3.44Å; L16-H38 HydrophobicContact CD2-CB 4.03Å; L21-H38 VanDerWaalsContact CD2-CD2 3.45Å; L21-H38 WeakPolarHBondContact CD2-CD2 3.48Å; N22-H38 PolarHBondContact OD1-CE1 2.68Å; N22-H38 PolarHBondContact OD1-NE2 2.98Å; N22-H38 VanDerWaalsContact OD1-NE2 3.15Å; E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.2Å; E36-H38 VanDerWaalsContact O-N 3.17Å; H38-W42 WeakPolarHBondContact O-CB 3.26Å; H38-W42 PolarHBondContact O-N 2.71Å
39K96.4Very high95.1Very high73 Ų7344.5 Ų44.532%0.31721%0.214SC..Hα-helixtrans-68.4-41.1178-169-172.4-179.1-179.50110.8I11 E36 I37 W42 R43 L148I11-K39 HydrophobicContact CD1-CB 3.76Å; I11-K39 HydrophobicContact CD1-CG 4.33Å; E36-K39 HydrophobicContact CB-CB 4Å; E36-K39 HydrophobicContact CB-CD 4.16Å; E36-K39 VanDerWaalsContact CD-NZ 3.3Å; E36-K39 HydrophobicContact CG-CD 4.47Å; E36-K39 WeakPolarHBondContact O-CA 3.28Å; E36-K39 VanDerWaalsContact O-CB 3.23Å; E36-K39 WeakPolarHBondContact O-CB 2.96Å; E36-K39 PolarHBondContact O-N 3.06Å; E36-K39 IonicContact OE1-NZ 2.67Å; E36-K39 PolarHBondContact OE1-NZ 2.7Å; E36-K39 VanDerWaalsContact OE1-NZ 3.12Å; E36-K39 WeakPolarHBondContact OE2-CD 3.37Å; E36-K39 IonicContact OE2-NZ 3.26Å; E36-K39 PolarHBondContact OE2-NZ 2.91Å; I37-K39 VanDerWaalsContact C-N 3.28Å; I37-K39 PolarHBondContact O-N 2.94Å; K39-W42 PolarHBondContact O-N 2.82Å; K39-R43 WeakPolarHBondContact O-CB 3.31Å; K39-R43 PolarHBondContact O-N 3.45Å; K39-L148 HydrophobicContact CD-CD1 4.29Å
40T97Very high94.9Very high0 Ų050.3 Ų50.30%024%0.235CC..Hα-helixtrans-59.5-51.2175.3-62.90000110.9E36 I37 W42 R43 I44 I71 V132 L148E36-T40 PolarHBondContact O-N 3.36Å; I37-T40 WeakPolarHBondContact O-CB 3.45Å; I37-T40 PolarHBondContact O-N 3.39Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 2.77Å; T40-R43 WeakPolarHBondContact O-CB 3.26Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 VanDerWaalsContact O-N 3.15Å; T40-I44 HydrophobicContact CG2-CD1 4.15Å; T40-I44 VanDerWaalsContact O-CG1 3.32Å; T40-I44 WeakPolarHBondContact O-CG1 3.29Å; T40-I44 PolarHBondContact O-N 3.01Å; T40-I71 HydrophobicContact CG2-CD1 3.83Å; T40-V132 HydrophobicContact CG2-CG1 4.45Å; T40-V132 HydrophobicContact CG2-CG2 3.89Å; T40-L148 HydrophobicContact CG2-CD2 4.49Å; T40-L148 WeakPolarHBondContact OG1-CD2 3.44Å
41I96.3Very high94.9Very high0 Ų053 Ų530%024%0.24CC..Hα-helixtrans-60-43.8176.8-70.6169.2000111.3L15 L21 I37 R43 I44 H45 I71 Y74 F75L15-I41 HydrophobicContact CD1-CB 4.48Å; L15-I41 HydrophobicContact CD1-CG2 3.81Å; L15-I41 HydrophobicContact CD2-CB 4.26Å; L15-I41 HydrophobicContact CD2-CG2 3.88Å; L21-I41 HydrophobicContact CD1-CD1 3.63Å; L21-I41 HydrophobicContact CD2-CD1 3.66Å; L21-I41 HydrophobicContact CG-CD1 4.32Å; I37-I41 HydrophobicContact CG2-CD1 3.9Å; I37-I41 HydrophobicContact CG2-CG1 4.48Å; I37-I41 PolarHBondContact O-N 3.14Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 2.99Å; I41-I44 WeakPolarHBondContact O-CB 3.28Å; I41-I44 PolarHBondContact O-N 2.95Å; I41-H45 PolarHBondContact O-CD2 3.22Å; I41-H45 PolarHBondContact O-N 3.39Å; I41-I71 HydrophobicContact CG1-CG1 4.45Å; I41-Y74 HydrophobicContact CD1-CD1 4.07Å; I41-Y74 HydrophobicContact CD1-CD2 4.23Å; I41-Y74 HydrophobicContact CD1-CG 3.86Å; I41-Y74 HydrophobicContact CG1-CD1 4.33Å; I41-Y74 HydrophobicContact CG2-CD1 3.61Å; I41-Y74 HydrophobicContact CG2-CE1 3.23Å; I41-Y74 HydrophobicContact CG2-CE2 4.31Å; I41-Y74 HydrophobicContact CG2-CG 4.32Å; I41-F75 HydrophobicContact CG1-CE2 4.45Å; I41-F75 HydrophobicContact CG2-CE2 4.07Å; I41-F75 HydrophobicContact CG2-CZ 4.15Å
42W95.5Very high95Very high24 Ų2447.3 Ų47.39%0.09121%0.205CC..Hα-helixtrans-61.8-39.9176.8-177.3-127.9000112.3I6 L7 P8 K10 I11 P12 W14 L15 H38 K39 T40 H45 C46I6-W42 HydrophobicContact CG2-CH2 4.1Å; I6-W42 HydrophobicContact CG2-CZ2 3.73Å; L7-W42 PolarHBondContact O-NE1 3.44Å; P8-W42 PolarHBondContact O-NE1 3.19Å; K10-W42 PolarHBondContact O-NE1 2.9Å; I11-W42 HydrophobicContact CG2-CB 4.43Å; P12-W42 HydrophobicContact CG-CD2 4.08Å; P12-W42 HydrophobicContact CG-CE3 3.79Å; P12-W42 HydrophobicContact CG-CH2 3.69Å; P12-W42 HydrophobicContact CG-CZ2 3.94Å; P12-W42 HydrophobicContact CG-CZ3 3.61Å; W14-W42 HydrophobicContact CZ2-CE3 4.4Å; W14-W42 HydrophobicContact CZ2-CZ3 4.04Å; L15-W42 HydrophobicContact CD2-CB 3.9Å; H38-W42 WeakPolarHBondContact O-CB 3.26Å; H38-W42 PolarHBondContact O-N 2.71Å; K39-W42 PolarHBondContact O-N 2.82Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 2.77Å; W42-H45 HydrophobicContact CE3-CB 4.14Å; W42-H45 HydrophobicContact CZ3-CB 4.35Å; W42-H45 PolarHBondContact O-N 3.04Å; W42-C46 PolarHBondContact O-N 3.41Å; W42-C46 PolarHBondContact O-SG 3.15Å
43R94.7Very high95.2Very high69 Ų6942.2 Ų42.226%0.2618%0.182SC..Hα-helixtrans-65.2-40.2177.6-171.159.8175.2150.92.9111.7K39 T40 I41 C46 L47 L130 L148K39-R43 WeakPolarHBondContact O-CB 3.31Å; K39-R43 PolarHBondContact O-N 3.45Å; T40-R43 WeakPolarHBondContact O-CB 3.26Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 VanDerWaalsContact O-N 3.15Å; I41-R43 VanDerWaalsContact C-N 3.3Å; I41-R43 PolarHBondContact O-N 2.99Å; R43-C46 PolarHBondContact O-N 2.97Å; R43-L47 HydrophobicContact CG-CD1 4.09Å; R43-L47 WeakPolarHBondContact O-CB 3.43Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.5Å; R43-L130 HydrophobicContact CB-CD2 4.16Å; R43-L130 HydrophobicContact CG-CD1 3.96Å; R43-L130 HydrophobicContact CG-CD2 3.85Å; R43-L148 HydrophobicContact CB-CD2 4.15Å; R43-L148 HydrophobicContact CG-CD2 4.42Å
44I94.9Very high95.2Very high0 Ų039.4 Ų39.40%017%0.171CC..Hα-helixtrans-58.6-49.2173.8-66.6165.2000110.2T40 I41 C46 L47 R48 A49 I52 I71 F75 I103 L130T40-I44 HydrophobicContact CG2-CD1 4.15Å; T40-I44 VanDerWaalsContact O-CG1 3.32Å; T40-I44 WeakPolarHBondContact O-CG1 3.29Å; T40-I44 PolarHBondContact O-N 3.01Å; I41-I44 WeakPolarHBondContact O-CB 3.28Å; I41-I44 PolarHBondContact O-N 2.95Å; I44-C46 PolarHBondContact O-N 3.39Å; I44-L47 PolarHBondContact O-N 3.13Å; I44-R48 WeakPolarHBondContact O-CA 3.39Å; I44-R48 PolarHBondContact O-N 3.02Å; I44-A49 HydrophobicContact CG2-CB 4.18Å; I44-A49 PolarHBondContact O-N 3.02Å; I44-A49 VanDerWaalsContact O-N 3.08Å; I44-I52 HydrophobicContact CD1-CD1 4.34Å; I44-I52 HydrophobicContact CD1-CG1 3.78Å; I44-I52 HydrophobicContact CG1-CD1 4.31Å; I44-I52 HydrophobicContact CG1-CG1 3.8Å; I44-I52 HydrophobicContact CG2-CD1 4.33Å; I44-I71 HydrophobicContact CD1-CG2 3.7Å; I44-F75 HydrophobicContact CB-CE2 4.12Å; I44-F75 HydrophobicContact CB-CZ 3.84Å; I44-F75 HydrophobicContact CD1-CE2 4.1Å; I44-F75 HydrophobicContact CG2-CE1 4.06Å; I44-F75 HydrophobicContact CG2-CE2 3.68Å; I44-F75 HydrophobicContact CG2-CZ 3.33Å; I44-I103 HydrophobicContact CG2-CD1 3.64Å; I44-L130 HydrophobicContact CG1-CD2 3.73Å
45H91.9Very high95.3Very high40 Ų4035.4 Ų35.419%0.18515%0.15CC..Hα-helixtrans-57.9-47.3175.5-83.4-66.4000112.7I41 W42 L47 R48 Y74 F75I41-H45 PolarHBondContact O-CD2 3.22Å; I41-H45 PolarHBondContact O-N 3.39Å; W42-H45 HydrophobicContact CE3-CB 4.14Å; W42-H45 HydrophobicContact CZ3-CB 4.35Å; W42-H45 PolarHBondContact O-N 3.04Å; H45-L47 VanDerWaalsContact C-N 3.3Å; H45-L47 PolarHBondContact O-N 2.7Å; H45-R48 PolarHBondContact O-N 3.01Å; H45-Y74 AromaticContact NE2-CE1 3.44Å; H45-Y74 WeakPolarHBondContact NE2-CE1 3.37Å; H45-Y74 AromaticContact NE2-CZ 3.76Å; H45-Y74 PolarHBondContact NE2-OH 2.7Å; H45-Y74 VanDerWaalsContact NE2-OH 3.09Å; H45-F75 AromaticContact CD2-CE1 4Å; H45-F75 AromaticContact CD2-CZ 3.82Å; H45-F75 AromaticContact CE1-CE1 3.41Å; H45-F75 VanDerWaalsContact CE1-CE1 3.41Å; H45-F75 WeakPolarHBondContact CE1-CE1 3.42Å; H45-F75 AromaticContact ND1-CE1 3.74Å; H45-F75 AromaticContact NE2-CE1 3.59Å; H45-F75 AromaticContact NE2-CZ 3.77Å
46C90.7Very high95.3Very high28 Ų2835.5 Ų35.519%0.18915%0.15CC..Hα-helixtrans-60.8-39-178.9-69.50000112.7I6 W42 R43 I44I6-C46 HydrophobicContact CG2-CB 4.27Å; I6-C46 WeakPolarHBondContact CG2-SG 3.32Å; W42-C46 PolarHBondContact O-N 3.41Å; W42-C46 PolarHBondContact O-SG 3.15Å; R43-C46 PolarHBondContact O-N 2.97Å; I44-C46 PolarHBondContact O-N 3.39Å
47L91.3Very high95.2Very high58 Ų5833.9 Ų33.930%0.30414%0.144SC..Hα-helixtrans-84.9-11.9-179.8-68.6176.1000113.1R43 I44 H45 A49 L130R43-L47 HydrophobicContact CG-CD1 4.09Å; R43-L47 WeakPolarHBondContact O-CB 3.43Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.5Å; I44-L47 PolarHBondContact O-N 3.13Å; H45-L47 VanDerWaalsContact C-N 3.3Å; H45-L47 PolarHBondContact O-N 2.7Å; L47-A49 HydrophobicContact CB-CB 4.15Å; L47-A49 PolarHBondContact O-N 3.34Å; L47-L130 HydrophobicContact CD1-CB 4.15Å; L47-L130 HydrophobicContact CD1-CD1 3.88Å; L47-L130 HydrophobicContact CD1-CG 4.41Å
48R91Very high95Very high127 Ų12740.4 Ų40.448%0.47917%0.174SC..THydrogen-bonded Turntrans51.636.7-165.2-55.7178.9176.5177.3-2.2111.3I44 H45I44-R48 WeakPolarHBondContact O-CA 3.39Å; I44-R48 PolarHBondContact O-N 3.02Å; H45-R48 PolarHBondContact O-N 3.01Å
49A93.1Very high94.7Very high1 Ų141.9 Ų41.91%0.00820%0.198CC..  trans-65.3134.6-17800000110.1I44 L47 I52 D129 L130I44-A49 HydrophobicContact CG2-CB 4.18Å; I44-A49 PolarHBondContact O-N 3.02Å; I44-A49 VanDerWaalsContact O-N 3.08Å; L47-A49 HydrophobicContact CB-CB 4.15Å; L47-A49 PolarHBondContact O-N 3.34Å; A49-I52 HydrophobicContact CB-CD1 4.15Å; A49-D129 HydrophobicContact CB-CB 3.56Å; A49-L130 HydrophobicContact CB-CB 4.19Å
50R93Very high94.7Very high135 Ų13539.1 Ų39.151%0.50919%0.187SC..SBendtrans-110.5-31.2175.6-65.7-171.5176.8-160.4-1.4111.9I103 D104 D129R50-I103 WeakPolarHBondContact O-CA 3.44Å; R50-D104 PolarHBondContact O-N 3.47Å; R50-D129 PolarHBondContact N-OD2 3.01Å
51R95.8Very high94.6Very high96 Ų9641.5 Ų41.536%0.36220%0.199SC..EExtended strand (participates in β ladder)trans-114.7118.1174.4-176.8170-77.7146.85.3111.1D104 L126 V128 D129 L130R51-D104 CarbonylContact C-O 3.58Å; R51-D104 WeakPolarHBondContact CA-O 3.5Å; R51-D104 HydrophobicContact CG-CB 4.48Å; R51-D104 IonicContact CZ-OD2 3.28Å; R51-D104 VanDerWaalsContact CZ-OD2 3.28Å; R51-D104 IonicContact NE-OD2 2.76Å; R51-D104 PolarHBondContact NE-OD2 3.18Å; R51-D104 IonicContact NH2-OD2 2.92Å; R51-D104 PolarHBondContact NH2-OD2 3.23Å; R51-L126 WeakPolarHBondContact CD-O 3.33Å; R51-L126 PolarHBondContact NH1-O 2.97Å; R51-V128 HydrophobicContact CG-CG2 4.02Å; R51-D129 PolarHBondContact N-OD2 3.09Å; R51-D129 PolarHBondContact O-N 2.76Å; R51-L130 PolarHBondContact O-N 3.47Å
52I97.4Very high94.5Very high0 Ų047.3 Ų47.30%023%0.229CC..EExtended strand (participates in β ladder)trans-114.9132-177.7-63.465.3000107.9I44 A49 L54 I103 D104 V105 V106 L130 V132I44-I52 HydrophobicContact CD1-CD1 4.34Å; I44-I52 HydrophobicContact CD1-CG1 3.78Å; I44-I52 HydrophobicContact CG1-CD1 4.31Å; I44-I52 HydrophobicContact CG1-CG1 3.8Å; I44-I52 HydrophobicContact CG2-CD1 4.33Å; A49-I52 HydrophobicContact CB-CD1 4.15Å; I52-L54 HydrophobicContact CG2-CD2 4.02Å; I52-I103 HydrophobicContact CD1-CD1 4.48Å; I52-I103 HydrophobicContact CD1-CG2 3.39Å; I52-I103 HydrophobicContact CG1-CG2 4.41Å; I52-D104 PolarHBondContact N-O 2.82Å; I52-V105 CarbonylContact O-C 3.58Å; I52-V105 WeakPolarHBondContact O-CA 3.26Å; I52-V106 PolarHBondContact O-N 2.71Å; I52-L130 CarbonylContact C-O 3.59Å; I52-L130 WeakPolarHBondContact CA-O 3.28Å; I52-V132 HydrophobicContact CG2-CG2 3.92Å
53A97.7Very high94.6Very high0 Ų047.6 Ų47.60%023%0.231CC..EExtended strand (participates in β ladder)trans-101.9135.6168.400000110.3V106 L108 V128 L130 L131 V132A53-V106 CarbonylContact C-O 3.54Å; A53-V106 VanDerWaalsContact CA-O 3.27Å; A53-V106 WeakPolarHBondContact CA-O 3.49Å; A53-L108 HydrophobicContact CB-CD1 4.21Å; A53-L108 HydrophobicContact CB-CD2 4.38Å; A53-L108 HydrophobicContact CB-CG 4.13Å; A53-V128 HydrophobicContact CB-CB 4.39Å; A53-V128 HydrophobicContact CB-CG1 3.72Å; A53-V128 HydrophobicContact CB-CG2 3.8Å; A53-L130 PolarHBondContact N-O 2.92Å; A53-L131 HydrophobicContact CB-CD1 3.69Å; A53-V132 PolarHBondContact O-N 2.91Å
54L98.2Very high94.7Very high0 Ų044.4 Ų44.40%022%0.219CC..EExtended strand (participates in β ladder)trans-104.3125.3169.6-52.7-176.4000108.5I52 M56 I67 I71 V105 V106 L108 V132 Y134I52-L54 HydrophobicContact CG2-CD2 4.02Å; L54-M56 HydrophobicContact CB-CE 4.41Å; L54-M56 HydrophobicContact CD1-CE 4.43Å; L54-I67 HydrophobicContact CD1-CB 4.44Å; L54-I67 HydrophobicContact CD1-CG2 3.96Å; L54-I71 HydrophobicContact CD2-CD1 4.46Å; L54-V105 HydrophobicContact CD1-CG1 3.76Å; L54-V105 HydrophobicContact CD2-CG1 4.37Å; L54-V105 HydrophobicContact CG-CG1 3.76Å; L54-V106 PolarHBondContact N-O 2.74Å; L54-L108 PolarHBondContact O-N 2.66Å; L54-V132 HydrophobicContact CD2-CB 4.04Å; L54-V132 HydrophobicContact CD2-CG2 4.2Å; L54-Y134 HydrophobicContact CD2-CE2 4.17Å
55Q97.7Very high94.8Very high1 Ų149.8 Ų49.81%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-121.9129172.7-174.1179.122.900109.3L108 T112 C117 L131 V132 H133 Y134Q55-L108 HydrophobicContact CB-CB 4.43Å; Q55-L108 HydrophobicContact CB-CD1 4.27Å; Q55-T112 HydrophobicContact CG-CG2 4.09Å; Q55-T112 WeakPolarHBondContact CG-OG1 3.25Å; Q55-T112 PolarHBondContact NE2-OG1 2.82Å; Q55-C117 PolarHBondContact NE2-O 2.83Å; Q55-L131 HydrophobicContact CB-CD1 3.9Å; Q55-V132 PolarHBondContact N-O 3.37Å; Q55-H133 PolarHBondContact OE1-ND1 2.79Å; Q55-Y134 PolarHBondContact O-N 2.75Å
56M97Very high95.1Very high5 Ų549.5 Ų49.53%0.02525%0.249CC..  trans-138.4146.9-174.8-57.5-172.1174.100110.3L54 L60 A64 I67 T112 Y134L54-M56 HydrophobicContact CB-CE 4.41Å; L54-M56 HydrophobicContact CD1-CE 4.43Å; M56-L60 HydrophobicContact CB-CB 4.16Å; M56-L60 HydrophobicContact SD-CB 4.44Å; M56-A64 HydrophobicContact CE-CB 4.15Å; M56-A64 HydrophobicContact SD-CB 3.77Å; M56-I67 HydrophobicContact CE-CB 4.5Å; M56-I67 HydrophobicContact CE-CD1 3.62Å; M56-T112 WeakPolarHBondContact O-CB 3.47Å; M56-Y134 HydrophobicContact CE-CD2 3.5Å; M56-Y134 HydrophobicContact CE-CE2 3.56Å; M56-Y134 HydrophobicContact CE-CG 4.02Å; M56-Y134 HydrophobicContact CG-CD2 3.9Å; M56-Y134 HydrophobicContact CG-CG 4.22Å; M56-Y134 HydrophobicContact SD-CD2 4.49Å
57P95.3Very high95.5Very high20 Ų2048.2 Ų48.213%0.1324%0.24CC..  trans-64.4160.116328.7-34.4000110.7G59 L60 L61 T112 Y134P57-G59 VanDerWaalsContact C-N 3.3Å; P57-G59 PolarHBondContact O-N 3.34Å; P57-L60 HydrophobicContact CG-CB 4.21Å; P57-L60 HydrophobicContact CG-CD1 3.9Å; P57-L60 HydrophobicContact CG-CG 4.07Å; P57-L60 PolarHBondContact O-N 3.21Å; P57-L61 PolarHBondContact O-N 3.07Å; P57-L61 VanDerWaalsContact O-N 3.11Å; P57-T112 WeakPolarHBondContact CA-O 3.43Å; P57-Y134 WeakPolarHBondContact CD-O 3.44Å
58E92.2Very high95.7Very high141 Ų14145.4 Ų45.466%0.65923%0.225SC*.Hα-helixtrans-48.3-48.8-175.3-167.663.3-155.800113L60 L61E58-L60 PolarHBondContact O-N 2.71Å; E58-L60 VanDerWaalsContact O-N 3.09Å; E58-L61 WeakPolarHBondContact O-CB 3.4Å; E58-L61 PolarHBondContact O-N 3.01Å; E58-L61 VanDerWaalsContact O-N 3.15Å
59G91.8Very high96Very high61 Ų6142.7 Ų42.763%0.62922%0.218SC*.Hα-helixtrans-65.6-13.6-178.400000115.3P57P57-G59 VanDerWaalsContact C-N 3.3Å; P57-G59 PolarHBondContact O-N 3.34Å
60L95.6Very high96.2Very high16 Ų1643 Ų438%0.08422%0.219CC..Hα-helixtrans-109.4-11.1176.8-63.4-178.4000113.1Y33 F35 M56 P57 E58 L62 F63 V152Y33-L60 HydrophobicContact CD1-CD2 4.28Å; Y33-L60 HydrophobicContact CE1-CD2 4.11Å; F35-L60 HydrophobicContact CE1-CD2 4.31Å; F35-L60 HydrophobicContact CZ-CD2 4.29Å; M56-L60 HydrophobicContact CB-CB 4.16Å; M56-L60 HydrophobicContact SD-CB 4.44Å; P57-L60 HydrophobicContact CG-CB 4.21Å; P57-L60 HydrophobicContact CG-CD1 3.9Å; P57-L60 HydrophobicContact CG-CG 4.07Å; P57-L60 PolarHBondContact O-N 3.21Å; E58-L60 PolarHBondContact O-N 2.71Å; E58-L60 VanDerWaalsContact O-N 3.09Å; L60-L62 PolarHBondContact O-N 2.77Å; L60-L62 VanDerWaalsContact O-N 3.12Å; L60-F63 HydrophobicContact CB-CD2 4.44Å; L60-F63 HydrophobicContact CD2-CD2 4.07Å; L60-F63 HydrophobicContact CD2-CE2 4.07Å; L60-F63 WeakPolarHBondContact O-CB 3.47Å; L60-F63 WeakPolarHBondContact O-CD2 3.41Å; L60-F63 PolarHBondContact O-N 2.99Å; L60-V152 HydrophobicContact CD1-CB 4.26Å; L60-V152 HydrophobicContact CD1-CG1 4.33Å; L60-V152 HydrophobicContact CD1-CG2 3.9Å
61L95.6Very high96.3Very high49 Ų4936.5 Ų36.526%0.25720%0.195SC..Hα-helixtrans-58.8-30.6-174.2-174.861.1000112.7P57 E58 F63 A64 I107P57-L61 PolarHBondContact O-N 3.07Å; P57-L61 VanDerWaalsContact O-N 3.11Å; E58-L61 WeakPolarHBondContact O-CB 3.4Å; E58-L61 PolarHBondContact O-N 3.01Å; E58-L61 VanDerWaalsContact O-N 3.15Å; L61-F63 PolarHBondContact O-N 3.45Å; L61-F63 VanDerWaalsContact O-N 3.13Å; L61-A64 HydrophobicContact CD1-CB 4.2Å; L61-A64 WeakPolarHBondContact O-CB 3.37Å; L61-A64 PolarHBondContact O-N 3.41Å; L61-I107 HydrophobicContact CD1-CG2 3.94Å
62L94.5Very high96.2Very high122 Ų12235.7 Ų35.764%0.63919%0.192SC*.THydrogen-bonded Turntrans-59.6-23.4176.177.694.2000113.4L60L60-L62 PolarHBondContact O-N 2.77Å; L60-L62 VanDerWaalsContact O-N 3.12Å
63F97Very high96Very high31 Ų3139.7 Ų39.714%0.13621%0.213CC..THydrogen-bonded Turntrans-87.6-7177.1-55.4-67.2000113.4L29 P30 F35 L60 L61 I65 P66 I67L29-F63 HydrophobicContact CD2-CB 4.49Å; L29-F63 HydrophobicContact CD2-CD1 4.37Å; P30-F63 HydrophobicContact CG-CD1 4.49Å; P30-F63 HydrophobicContact CG-CE1 3.7Å; P30-F63 HydrophobicContact CG-CE2 4.43Å; P30-F63 HydrophobicContact CG-CZ 3.66Å; F35-F63 HydrophobicContact CE1-CB 4.25Å; F35-F63 HydrophobicContact CE1-CD2 4.14Å; F35-F63 HydrophobicContact CE1-CG 4.35Å; F35-F63 HydrophobicContact CE2-CD2 4.5Å; F35-F63 HydrophobicContact CE2-CG 4.44Å; F35-F63 HydrophobicContact CZ-CB 4.1Å; F35-F63 HydrophobicContact CZ-CD1 4.42Å; F35-F63 AromaticContact CZ-CD2 3.54Å; F35-F63 HydrophobicContact CZ-CD2 3.54Å; F35-F63 HydrophobicContact CZ-CE2 4.04Å; F35-F63 AromaticContact CZ-CG 3.76Å; F35-F63 HydrophobicContact CZ-CG 3.76Å; L60-F63 HydrophobicContact CB-CD2 4.44Å; L60-F63 HydrophobicContact CD2-CD2 4.07Å; L60-F63 HydrophobicContact CD2-CE2 4.07Å; L60-F63 WeakPolarHBondContact O-CB 3.47Å; L60-F63 WeakPolarHBondContact O-CD2 3.41Å; L60-F63 PolarHBondContact O-N 2.99Å; L61-F63 PolarHBondContact O-N 3.45Å; L61-F63 VanDerWaalsContact O-N 3.13Å; F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 PolarHBondContact O-N 3.03Å; F63-P66 WeakPolarHBondContact O-CD 3.34Å; F63-I67 HydrophobicContact CB-CD1 4Å; F63-I67 VanDerWaalsContact O-CB 3.32Å; F63-I67 WeakPolarHBondContact O-CB 3.46Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.44Å; F63-I67 PolarHBondContact O-N 3.26Å
64A97.7Very high95.8Very high1 Ų139.9 Ų39.91%0.00821%0.214CC..Hα-helixtrans-61.3-40.2-177.900000112.6M56 L61 S68 I107M56-A64 HydrophobicContact CE-CB 4.15Å; M56-A64 HydrophobicContact SD-CB 3.77Å; L61-A64 HydrophobicContact CD1-CB 4.2Å; L61-A64 WeakPolarHBondContact O-CB 3.37Å; L61-A64 PolarHBondContact O-N 3.41Å; A64-S68 WeakPolarHBondContact O-CB 3.42Å; A64-S68 PolarHBondContact O-N 3.26Å; A64-I107 HydrophobicContact CB-CD1 3.73Å; A64-I107 HydrophobicContact CB-CG1 4.01Å; A64-I107 HydrophobicContact CB-CG2 3.78Å
65I97Very high95.5Very high114 Ų11440.1 Ų40.159%0.58522%0.215SC*.Hα-helixtrans-67.2-55.9177.3-64.3171000110.9F63 I67 S68 E69 I107F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 PolarHBondContact O-N 3.03Å; I65-I67 VanDerWaalsContact C-N 3.31Å; I65-I67 PolarHBondContact O-N 3.27Å; I65-S68 WeakPolarHBondContact O-CB 3.39Å; I65-S68 PolarHBondContact O-N 3.42Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-E69 HydrophobicContact CG2-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.35Å; I65-E69 PolarHBondContact O-N 3.25Å; I65-I107 HydrophobicContact CG1-CD1 4.06Å
66P97.4Very high95.1Very high34 Ų3443.5 Ų43.522%0.22123%0.233CC..Hα-helixtrans-51.6-46.1175-29.533.4000113.9L29 F63 S68 E69 I70L29-P66 HydrophobicContact CD2-CB 3.96Å; F63-P66 WeakPolarHBondContact O-CD 3.34Å; P66-S68 PolarHBondContact O-N 3.05Å; P66-E69 PolarHBondContact O-N 3.22Å; P66-I70 VanDerWaalsContact O-CG1 3.23Å; P66-I70 WeakPolarHBondContact O-CG1 3.33Å; P66-I70 PolarHBondContact O-N 3.06Å
67I98.2Very high94.7Very high0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-63.4-44179.7-71.1172.6000110.8L29 F35 I37 L54 M56 F63 I65 E69 I70 I71 Y134L29-I67 HydrophobicContact CD1-CG1 4.08Å; L29-I67 HydrophobicContact CD2-CD1 4.37Å; L29-I67 HydrophobicContact CD2-CG1 3.77Å; F35-I67 HydrophobicContact CB-CD1 4.27Å; F35-I67 HydrophobicContact CD1-CD1 3.51Å; F35-I67 HydrophobicContact CE1-CD1 3.94Å; F35-I67 HydrophobicContact CG-CD1 3.9Å; I37-I67 HydrophobicContact CD1-CD1 4.33Å; I37-I67 HydrophobicContact CD1-CG1 3.97Å; I37-I67 HydrophobicContact CD1-CG2 3.99Å; L54-I67 HydrophobicContact CD1-CB 4.44Å; L54-I67 HydrophobicContact CD1-CG2 3.96Å; M56-I67 HydrophobicContact CE-CB 4.5Å; M56-I67 HydrophobicContact CE-CD1 3.62Å; F63-I67 HydrophobicContact CB-CD1 4Å; F63-I67 VanDerWaalsContact O-CB 3.32Å; F63-I67 WeakPolarHBondContact O-CB 3.46Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.44Å; F63-I67 PolarHBondContact O-N 3.26Å; I65-I67 VanDerWaalsContact C-N 3.31Å; I65-I67 PolarHBondContact O-N 3.27Å; I67-E69 PolarHBondContact O-N 3.41Å; I67-I70 PolarHBondContact O-N 3.36Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.36Å; I67-I71 PolarHBondContact O-N 3.39Å; I67-Y134 HydrophobicContact CD1-CE1 4.33Å
68S97.3Very high94Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-59-46.7175.9174.80000111.8A64 I65 P66 I71 R72 V105A64-S68 WeakPolarHBondContact O-CB 3.42Å; A64-S68 PolarHBondContact O-N 3.26Å; I65-S68 WeakPolarHBondContact O-CB 3.39Å; I65-S68 PolarHBondContact O-N 3.42Å; I65-S68 VanDerWaalsContact O-N 3.14Å; P66-S68 PolarHBondContact O-N 3.05Å; S68-I71 PolarHBondContact O-N 3.49Å; S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.3Å; S68-R72 PolarHBondContact OG-NE 3.33Å; S68-R72 PolarHBondContact OG-NH2 2.93Å; S68-V105 WeakPolarHBondContact OG-CB 3.38Å; S68-V105 WeakPolarHBondContact OG-CG1 3.32Å
69E96Very high93Very high70 Ų7041 Ų4133%0.32722%0.224SC..Hα-helixtrans-64.7-42.1178.1-68.5-56.8128.700112.2I65 P66 I67 I71 R72 N73I65-E69 HydrophobicContact CG2-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.35Å; I65-E69 PolarHBondContact O-N 3.25Å; P66-E69 PolarHBondContact O-N 3.22Å; I67-E69 PolarHBondContact O-N 3.41Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.14Å; E69-R72 PolarHBondContact O-N 3.17Å; E69-R72 IonicContact OE1-CZ 3.36Å; E69-R72 IonicContact OE1-NH1 3.01Å; E69-R72 PolarHBondContact OE1-NH1 2.93Å; E69-R72 IonicContact OE1-NH2 2.7Å; E69-N73 WeakPolarHBondContact O-CB 3.45Å; E69-N73 PolarHBondContact O-N 2.75Å; E69-N73 PolarHBondContact O-ND2 2.92Å
70I96.9Very high91.5Very high6 Ų644.9 Ų44.93%0.03123%0.226CC..Hα-helixtrans-58.2-46.8175.9-69.6164.4000110.6L21 I25 L29 I37 P66 I67 Y74L21-I70 HydrophobicContact CD1-CG2 3.56Å; I25-I70 HydrophobicContact CG1-CG2 4.35Å; L29-I70 HydrophobicContact CD1-CD1 3.93Å; L29-I70 HydrophobicContact CD2-CD1 4.36Å; L29-I70 HydrophobicContact CG-CD1 3.92Å; I37-I70 HydrophobicContact CG2-CG2 3.85Å; P66-I70 VanDerWaalsContact O-CG1 3.23Å; P66-I70 WeakPolarHBondContact O-CG1 3.33Å; P66-I70 PolarHBondContact O-N 3.06Å; I67-I70 PolarHBondContact O-N 3.36Å; I70-Y74 WeakPolarHBondContact O-CB 3.48Å; I70-Y74 PolarHBondContact O-N 2.97Å; I70-Y74 VanDerWaalsContact O-N 3.13Å
71I96.1Very high89.6Confident0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-63.8-51.7179.1-67.5167000110.3T40 I41 I44 L54 I67 S68 E69 N73 Y74 F75 V105T40-I71 HydrophobicContact CG2-CD1 3.83Å; I41-I71 HydrophobicContact CG1-CG1 4.45Å; I44-I71 HydrophobicContact CD1-CG2 3.7Å; L54-I71 HydrophobicContact CD2-CD1 4.46Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.36Å; I67-I71 PolarHBondContact O-N 3.39Å; S68-I71 PolarHBondContact O-N 3.49Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.14Å; I71-N73 PolarHBondContact O-N 3.2Å; I71-Y74 PolarHBondContact O-N 3.03Å; I71-F75 HydrophobicContact CG2-CD2 4.24Å; I71-F75 HydrophobicContact CG2-CE2 4.35Å; I71-F75 WeakPolarHBondContact O-CD2 3.41Å; I71-F75 PolarHBondContact O-N 3.05Å; I71-V105 HydrophobicContact CG2-CG2 4.33Å
72R93.8Very high87.2Confident79 Ų7952.2 Ų52.230%0.29828%0.279SS..Hα-helixtrans-59.8-48.6-178.7-71.4-170.6-133.8140.80.9111.8S68 E69 Y74 F75 I76 V105S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.3Å; S68-R72 PolarHBondContact OG-NE 3.33Å; S68-R72 PolarHBondContact OG-NH2 2.93Å; E69-R72 PolarHBondContact O-N 3.17Å; E69-R72 IonicContact OE1-CZ 3.36Å; E69-R72 IonicContact OE1-NH1 3.01Å; E69-R72 PolarHBondContact OE1-NH1 2.93Å; E69-R72 IonicContact OE1-NH2 2.7Å; R72-Y74 VanDerWaalsContact C-N 3.29Å; R72-Y74 PolarHBondContact O-N 3.17Å; R72-F75 PolarHBondContact O-N 2.94Å; R72-F75 VanDerWaalsContact O-N 3.14Å; R72-I76 WeakPolarHBondContact O-CG1 3.26Å; R72-I76 PolarHBondContact O-N 2.78Å; R72-V105 HydrophobicContact CG-CG2 3.79Å
73N92.1Very high84.8Confident84 Ų8448.6 Ų48.645%0.44927%0.271SS..Hα-helixtrans-62.3-36.5-178.5-72.4-31.2000112.6E69 I71 R77E69-N73 WeakPolarHBondContact O-CB 3.45Å; E69-N73 PolarHBondContact O-N 2.75Å; E69-N73 PolarHBondContact O-ND2 2.92Å; I71-N73 PolarHBondContact O-N 3.2Å; N73-R77 WeakPolarHBondContact O-CB 3.23Å; N73-R77 PolarHBondContact O-N 3.08Å; N73-R77 VanDerWaalsContact O-N 3.09Å
74Y94.2Very high82Confident4 Ų453.4 Ų53.42%0.01631%0.306CS..Hα-helixtrans-60-48.2174.2169.8-86.5000111.3W14 L15 L21 I41 H45 I70 I71 R72 R77 C78W14-Y74 WeakPolarHBondContact CZ3-OH 3.47Å; L15-Y74 HydrophobicContact CD1-CD2 4.46Å; L15-Y74 HydrophobicContact CD1-CE2 3.58Å; L21-Y74 HydrophobicContact CB-CD2 4.41Å; L21-Y74 HydrophobicContact CD1-CD2 4.5Å; L21-Y74 HydrophobicContact CD2-CD2 4.04Å; L21-Y74 HydrophobicContact CD2-CE2 4.3Å; I41-Y74 HydrophobicContact CD1-CD1 4.07Å; I41-Y74 HydrophobicContact CD1-CD2 4.23Å; I41-Y74 HydrophobicContact CD1-CG 3.86Å; I41-Y74 HydrophobicContact CG1-CD1 4.33Å; I41-Y74 HydrophobicContact CG2-CD1 3.61Å; I41-Y74 HydrophobicContact CG2-CE1 3.23Å; I41-Y74 HydrophobicContact CG2-CE2 4.31Å; I41-Y74 HydrophobicContact CG2-CG 4.32Å; H45-Y74 AromaticContact NE2-CE1 3.44Å; H45-Y74 WeakPolarHBondContact NE2-CE1 3.37Å; H45-Y74 AromaticContact NE2-CZ 3.76Å; H45-Y74 PolarHBondContact NE2-OH 2.7Å; H45-Y74 VanDerWaalsContact NE2-OH 3.09Å; I70-Y74 WeakPolarHBondContact O-CB 3.48Å; I70-Y74 PolarHBondContact O-N 2.97Å; I70-Y74 VanDerWaalsContact O-N 3.13Å; I71-Y74 PolarHBondContact O-N 3.03Å; R72-Y74 VanDerWaalsContact C-N 3.29Å; R72-Y74 PolarHBondContact O-N 3.17Å; Y74-R77 PolarHBondContact O-N 2.96Å; Y74-C78 PolarHBondContact O-N 2.91Å; Y74-C78 VanDerWaalsContact O-N 3.08Å; Y74-C78 PolarHBondContact O-SG 3.42Å; Y74-C78 VanDerWaalsContact O-SG 3.34Å
75F92.2Very high79.4Confident4 Ų456.4 Ų56.42%0.01833%0.331CS..Hα-helixtrans-73.6-35.2-178-80.6-83.2000113.9I41 I44 H45 I71 R72 R77 C78 G79 I100 I103I41-F75 HydrophobicContact CG1-CE2 4.45Å; I41-F75 HydrophobicContact CG2-CE2 4.07Å; I41-F75 HydrophobicContact CG2-CZ 4.15Å; I44-F75 HydrophobicContact CB-CE2 4.12Å; I44-F75 HydrophobicContact CB-CZ 3.84Å; I44-F75 HydrophobicContact CD1-CE2 4.1Å; I44-F75 HydrophobicContact CG2-CE1 4.06Å; I44-F75 HydrophobicContact CG2-CE2 3.68Å; I44-F75 HydrophobicContact CG2-CZ 3.33Å; H45-F75 AromaticContact CD2-CE1 4Å; H45-F75 AromaticContact CD2-CZ 3.82Å; H45-F75 AromaticContact CE1-CE1 3.41Å; H45-F75 VanDerWaalsContact CE1-CE1 3.41Å; H45-F75 WeakPolarHBondContact CE1-CE1 3.42Å; H45-F75 AromaticContact ND1-CE1 3.74Å; H45-F75 AromaticContact NE2-CE1 3.59Å; H45-F75 AromaticContact NE2-CZ 3.77Å; I71-F75 HydrophobicContact CG2-CD2 4.24Å; I71-F75 HydrophobicContact CG2-CE2 4.35Å; I71-F75 WeakPolarHBondContact O-CD2 3.41Å; I71-F75 PolarHBondContact O-N 3.05Å; R72-F75 PolarHBondContact O-N 2.94Å; R72-F75 VanDerWaalsContact O-N 3.14Å; F75-R77 VanDerWaalsContact C-N 3.34Å; F75-R77 PolarHBondContact O-N 2.94Å; F75-C78 PolarHBondContact O-N 3.49Å; F75-G79 PolarHBondContact O-N 3.12Å; F75-G79 VanDerWaalsContact O-N 3.13Å; F75-I100 HydrophobicContact CD1-CB 4.21Å; F75-I100 HydrophobicContact CD1-CG2 4.13Å; F75-I100 HydrophobicContact CE1-CD1 4.45Å; F75-I103 HydrophobicContact CB-CD1 3.8Å; F75-I103 HydrophobicContact CB-CG1 3.92Å; F75-I103 HydrophobicContact CD1-CD1 3.6Å; F75-I103 HydrophobicContact CD1-CG1 4.36Å; F75-I103 HydrophobicContact CD2-CD1 3.17Å; F75-I103 HydrophobicContact CD2-CG1 4.19Å; F75-I103 HydrophobicContact CE1-CD1 3.89Å; F75-I103 HydrophobicContact CE2-CD1 3.51Å; F75-I103 HydrophobicContact CG-CD1 3.22Å; F75-I103 HydrophobicContact CG-CG1 3.91Å; F75-I103 HydrophobicContact CZ-CD1 3.86Å
76I88.7Confident76.9Confident73 Ų7355.2 Ų55.237%0.37433%0.325SS..Hα-helixtrans-56.5-50.8171-70.5167.4000109.7R72 C78 G79 E80R72-I76 WeakPolarHBondContact O-CG1 3.26Å; R72-I76 PolarHBondContact O-N 2.78Å; I76-C78 PolarHBondContact O-N 2.86Å; I76-G79 PolarHBondContact O-N 3.26Å; I76-G79 VanDerWaalsContact O-N 3.1Å; I76-E80 PolarHBondContact O-N 3.07Å
77R88Confident74.1Confident55 Ų5558.6 Ų58.621%0.20835%0.349CS..Hα-helixtrans-59.5-45.8179.2-178.1-178.768.3-143.210112.4D18 N73 Y74 F75 G79 E80 T81D18-R77 IonicContact OD1-CZ 3.66Å; D18-R77 IonicContact OD1-NH1 3.97Å; D18-R77 IonicContact OD1-NH2 2.78Å; D18-R77 PolarHBondContact OD1-NH2 2.9Å; D18-R77 IonicContact OD2-CZ 3.73Å; D18-R77 IonicContact OD2-NH2 2.64Å; D18-R77 PolarHBondContact OD2-NH2 2.9Å; N73-R77 WeakPolarHBondContact O-CB 3.23Å; N73-R77 PolarHBondContact O-N 3.08Å; N73-R77 VanDerWaalsContact O-N 3.09Å; Y74-R77 PolarHBondContact O-N 2.96Å; F75-R77 VanDerWaalsContact C-N 3.34Å; F75-R77 PolarHBondContact O-N 2.94Å; R77-G79 PolarHBondContact O-N 2.89Å; R77-E80 PolarHBondContact O-N 3.22Å; R77-E80 VanDerWaalsContact O-N 3.12Å; R77-T81 PolarHBondContact O-N 3.07Å; R77-T81 PolarHBondContact O-OG1 3.17Å
78C82.5Confident71.4Confident46 Ų4661 Ų6131%0.31136%0.361SS..Hα-helixtrans-59.6-30.5178-720000112.7Y74 F75 I76 T81Y74-C78 PolarHBondContact O-N 2.91Å; Y74-C78 VanDerWaalsContact O-N 3.08Å; Y74-C78 PolarHBondContact O-SG 3.42Å; Y74-C78 VanDerWaalsContact O-SG 3.34Å; F75-C78 PolarHBondContact O-N 3.49Å; I76-C78 PolarHBondContact O-N 2.86Å; C78-T81 PolarHBondContact O-OG1 2.69Å
79G70.8Confident68.6Low11 Ų1164 Ų6411%0.11338%0.382CS..Hα-helixtrans-77.9-24.9176.200000115F75 I76 R77 K101F75-G79 PolarHBondContact O-N 3.12Å; F75-G79 VanDerWaalsContact O-N 3.13Å; I76-G79 PolarHBondContact O-N 3.26Å; I76-G79 VanDerWaalsContact O-N 3.1Å; R77-G79 PolarHBondContact O-N 2.89Å; G79-K101 VanDerWaalsContact C-CE 3.47Å; G79-K101 WeakPolarHBondContact O-CE 3.1Å; G79-K101 PolarHBondContact O-NZ 3.34Å
80E60.9Low65.9Low143 Ų14364.4 Ų64.467%0.66839%0.39SS*.Hα-helixtrans-80-32.4176.7-69.3178.4169.700112I76 R77 S82I76-E80 PolarHBondContact O-N 3.07Å; R77-E80 PolarHBondContact O-N 3.22Å; R77-E80 VanDerWaalsContact O-N 3.12Å; E80-S82 PolarHBondContact O-N 3.45Å
81T55.4Low63Low88 Ų8872.4 Ų72.454%0.5443%0.433SS..  trans-83.4104.9176.156.70000110.3R77 C78 G83R77-T81 PolarHBondContact O-N 3.07Å; R77-T81 PolarHBondContact O-OG1 3.17Å; C78-T81 PolarHBondContact O-OG1 2.69Å; T81-G83 PolarHBondContact O-N 3Å
82S45.2Very low60Low132 Ų13276.8 Ų76.892%0.92346%0.463SS*.  trans-66.948.7165.2-44.40000112.1E80E80-S82 PolarHBondContact O-N 3.45Å
83G43.5Very low57.2Low46 Ų4677.1 Ų77.147%0.47448%0.478SS..  trans-77.3166172.500000111T81 A85T81-G83 PolarHBondContact O-N 3Å; G83-A85 PolarHBondContact O-N 2.91Å
84P38.9Very low54.3Low132 Ų13280.1 Ų80.186%0.85750%0.5SS*.  trans-59.7114.3-16725.7-32.2000110.1L86P84-L86 PolarHBondContact O-N 3.22Å; P84-L86 VanDerWaalsContact O-N 3.16Å
85A42.3Very low51.5Low64 Ų6485 Ų8553%0.52953%0.529SS..  trans-37.1119.6170.200000109.8G83 S87 E97G83-A85 PolarHBondContact O-N 2.91Å; A85-S87 PolarHBondContact O-N 2.96Å; A85-E97 WeakPolarHBondContact CA-OE2 3.24Å; A85-E97 WeakPolarHBondContact CB-OE2 3.21Å
86L44.9Very low48.8Very low88 Ų8888.9 Ų88.946%0.46156%0.562SS.*  trans-74.790.3177.5-138.1143.1000105W14 P84 I88 E97W14-L86 HydrophobicContact CZ2-CD1 3.87Å; P84-L86 PolarHBondContact O-N 3.22Å; P84-L86 VanDerWaalsContact O-N 3.16Å; L86-I88 WeakPolarHBondContact O-CG1 3.38Å; L86-I88 PolarHBondContact O-N 3.36Å; L86-E97 PolarHBondContact N-OE1 3.01Å; L86-E97 VanDerWaalsContact O-OE1 3.12Å
87S38.1Very low46.7Very low105 Ų10590.7 Ų90.773%0.73457%0.569SS**  trans-5896.3-175.757.50000111.6A85A85-S87 PolarHBondContact O-N 2.96Å
88I42.4Very low44.6Very low50 Ų5093.9 Ų93.926%0.25659%0.59SS.*  trans-92.2102.2172.9-65.6166.4000106.7I6 L86I6-I88 HydrophobicContact CD1-CB 4.36Å; I6-I88 HydrophobicContact CD1-CD1 3.94Å; I6-I88 HydrophobicContact CD1-CG1 3.91Å; I6-I88 HydrophobicContact CD1-CG2 3.54Å; I6-I88 HydrophobicContact CG1-CG2 4.4Å; L86-I88 WeakPolarHBondContact O-CG1 3.38Å; L86-I88 PolarHBondContact O-N 3.36Å
89S37.7Very low43.1Very low63 Ų6394.5 Ų94.544%0.44160%0.595SS.*  trans-93.8126169.5125.60000110.6S3S3-S89 WeakPolarHBondContact CB-OG 3.48Å; S3-S89 PolarHBondContact OG-O 2.87Å; S3-S89 PolarHBondContact OG-OG 3.04Å
90T39Very low42.5Very low80 Ų8095.7 Ų95.749%0.49160%0.598SS.*  trans-109155.2164.845.10000108.4S92T90-S92 PolarHBondContact O-N 3.38Å
91N36.9Very low42.4Very low174 Ų17494.3 Ų94.393%0.9359%0.59SS**SBendtrans-63.622.8-170.7-80.3-8.4000116.7
92S33.2Very low43.4Very low91 Ų9196.7 Ų96.764%0.63660%0.6SS**SBendtrans-163.5118.1174.2173.20000108.2T90T90-S92 PolarHBondContact O-N 3.38Å
93S33.7Very low45.5Very low87 Ų8790.9 Ų90.961%0.60856%0.558SS**  trans66.9126173.461.50000119V95S93-V95 PolarHBondContact O-N 2.8Å
94T30.8Very low47.9Very low147 Ų14791.7 Ų91.790%0.90255%0.551SS**  trans-74.299.7159.445.30000108.3
95V36.1Very low50.7Low106 Ų10685.9 Ų85.964%0.64251%0.514SS*.  trans-99.3131.6173.6-171.40000107.2S93 E97S93-V95 PolarHBondContact O-N 2.8Å; V95-E97 PolarHBondContact O-N 2.79Å
96A36.9Very low53.3Low85 Ų8584.6 Ų84.670%0.70250%0.499SS*.  trans-51.7136.7173.800000109.7D98A96-D98 VanDerWaalsContact C-N 3.26Å; A96-D98 PolarHBondContact O-N 3.4Å
97E43.1Very low55.8Low112 Ų11283.2 Ų83.252%0.52349%0.491SS..  trans-62.793.1168.5-83.7178.1158.300107.8A85 L86 V95 S99A85-E97 WeakPolarHBondContact CA-OE2 3.24Å; A85-E97 WeakPolarHBondContact CB-OE2 3.21Å; L86-E97 PolarHBondContact N-OE1 3.01Å; L86-E97 VanDerWaalsContact O-OE1 3.12Å; V95-E97 PolarHBondContact O-N 2.79Å; E97-S99 PolarHBondContact O-N 2.96Å
98D44.8Very low58.5Low122 Ų12278.9 Ų78.965%0.65246%0.46SS*.  trans-60.895.7149.4-89.9-11.7000105.4A96 I100A96-D98 VanDerWaalsContact C-N 3.26Å; A96-D98 PolarHBondContact O-N 3.4Å; D98-I100 PolarHBondContact O-N 3.25Å; D98-I100 VanDerWaalsContact O-N 3.12Å
99S51.4Low60.9Low59 Ų5979.2 Ų79.241%0.41348%0.476SS..  trans-38.7119.6169.9540000108.4E97 K101E97-S99 PolarHBondContact O-N 2.96Å; S99-K101 PolarHBondContact O-N 2.81Å; S99-K101 WeakPolarHBondContact OG-CD 3.48Å; S99-K101 VanDerWaalsContact OG-CE 3.31Å; S99-K101 WeakPolarHBondContact OG-CE 3.25Å; S99-K101 WeakPolarHBondContact OG-CG 3.37Å
100I56.6Low63.5Low35 Ų3581.6 Ų81.618%0.17948%0.484CS..  trans-67.976.6173.9-55.1173.1000106.7F75 D98 I103F75-I100 HydrophobicContact CD1-CB 4.21Å; F75-I100 HydrophobicContact CD1-CG2 4.13Å; F75-I100 HydrophobicContact CE1-CD1 4.45Å; D98-I100 PolarHBondContact O-N 3.25Å; D98-I100 VanDerWaalsContact O-N 3.12Å; I100-I103 HydrophobicContact CG2-CD1 3.67Å; I100-I103 HydrophobicContact CG2-CG1 3.37Å
101K59.2Low66Low114 Ų11479.9 Ų79.950%0.49647%0.473SS..  trans-84.5-25.3179.2-80.5-179.3178.2-168.50111.7G79 S99G79-K101 VanDerWaalsContact C-CE 3.47Å; G79-K101 WeakPolarHBondContact O-CE 3.1Å; G79-K101 PolarHBondContact O-NZ 3.34Å; S99-K101 PolarHBondContact O-N 2.81Å; S99-K101 WeakPolarHBondContact OG-CD 3.48Å; S99-K101 VanDerWaalsContact OG-CE 3.31Å; S99-K101 WeakPolarHBondContact OG-CE 3.25Å; S99-K101 WeakPolarHBondContact OG-CG 3.37Å
102D76.2Confident68.8Low139 Ų13972 Ų7274%0.74343%0.431SS*.  trans-120.894-174-157.45.8000108.6
103I90.1Very high71.6Confident10 Ų1074.6 Ų74.65%0.05143%0.428CS..  trans-98.6120.4168.6-63.5-153.4000108.3I44 R50 I52 F75 I100 V105I44-I103 HydrophobicContact CG2-CD1 3.64Å; R50-I103 WeakPolarHBondContact O-CA 3.44Å; I52-I103 HydrophobicContact CD1-CD1 4.48Å; I52-I103 HydrophobicContact CD1-CG2 3.39Å; I52-I103 HydrophobicContact CG1-CG2 4.41Å; F75-I103 HydrophobicContact CB-CD1 3.8Å; F75-I103 HydrophobicContact CB-CG1 3.92Å; F75-I103 HydrophobicContact CD1-CD1 3.6Å; F75-I103 HydrophobicContact CD1-CG1 4.36Å; F75-I103 HydrophobicContact CD2-CD1 3.17Å; F75-I103 HydrophobicContact CD2-CG1 4.19Å; F75-I103 HydrophobicContact CE1-CD1 3.89Å; F75-I103 HydrophobicContact CE2-CD1 3.51Å; F75-I103 HydrophobicContact CG-CD1 3.22Å; F75-I103 HydrophobicContact CG-CG1 3.91Å; F75-I103 HydrophobicContact CZ-CD1 3.86Å; I100-I103 HydrophobicContact CG2-CD1 3.67Å; I100-I103 HydrophobicContact CG2-CG1 3.37Å; I103-V105 HydrophobicContact CG2-CG2 3.81Å
104D93.8Very high74.3Confident62 Ų6271 Ų7133%0.33241%0.405SS..EExtended strand (participates in β ladder)trans-87.1119.4170.3-174.414000109R50 R51 I52R50-D104 PolarHBondContact O-N 3.47Å; R51-D104 CarbonylContact C-O 3.58Å; R51-D104 WeakPolarHBondContact CA-O 3.5Å; R51-D104 HydrophobicContact CG-CB 4.48Å; R51-D104 IonicContact CZ-OD2 3.28Å; R51-D104 VanDerWaalsContact CZ-OD2 3.28Å; R51-D104 IonicContact NE-OD2 2.76Å; R51-D104 PolarHBondContact NE-OD2 3.18Å; R51-D104 IonicContact NH2-OD2 2.92Å; R51-D104 PolarHBondContact NH2-OD2 3.23Å; I52-D104 PolarHBondContact N-O 2.82Å
105V96.8Very high77.1Confident10 Ų1064.2 Ų64.26%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-114.6114.6176.2-175.10000108.4I52 L54 S68 I71 R72 I103I52-V105 CarbonylContact O-C 3.58Å; I52-V105 WeakPolarHBondContact O-CA 3.26Å; L54-V105 HydrophobicContact CD1-CG1 3.76Å; L54-V105 HydrophobicContact CD2-CG1 4.37Å; L54-V105 HydrophobicContact CG-CG1 3.76Å; S68-V105 WeakPolarHBondContact OG-CB 3.38Å; S68-V105 WeakPolarHBondContact OG-CG1 3.32Å; I71-V105 HydrophobicContact CG2-CG2 4.33Å; R72-V105 HydrophobicContact CG-CG2 3.79Å; I103-V105 HydrophobicContact CG2-CG2 3.81Å
106V96.9Very high79.8Confident37 Ų3759.9 Ų59.922%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-102.6134.6178.4-176.30000109.2I52 A53 L54 L108 L126I52-V106 PolarHBondContact O-N 2.71Å; A53-V106 CarbonylContact C-O 3.54Å; A53-V106 VanDerWaalsContact CA-O 3.27Å; A53-V106 WeakPolarHBondContact CA-O 3.49Å; L54-V106 PolarHBondContact N-O 2.74Å; V106-L108 HydrophobicContact CG1-CD2 4.43Å; V106-L126 HydrophobicContact CG1-CD1 4.21Å
107I97.4Very high82.5Confident59 Ų5955.9 Ų55.930%0.30331%0.305SS..EExtended strand (participates in β ladder)trans-98.8121.4173.9-59.9168.1000107.6L61 A64 I65 G109L61-I107 HydrophobicContact CD1-CG2 3.94Å; A64-I107 HydrophobicContact CB-CD1 3.73Å; A64-I107 HydrophobicContact CB-CG1 4.01Å; A64-I107 HydrophobicContact CB-CG2 3.78Å; I65-I107 HydrophobicContact CG1-CD1 4.06Å; I107-G109 PolarHBondContact O-N 2.83Å
108L95.9Very high84.9Confident14 Ų1450.6 Ų50.67%0.07328%0.28CS..EExtended strand (participates in β ladder)trans-80.9105.6172.3-56.4-172.8000108.1A53 L54 Q55 V106 E119 T122 L126 L131A53-L108 HydrophobicContact CB-CD1 4.21Å; A53-L108 HydrophobicContact CB-CD2 4.38Å; A53-L108 HydrophobicContact CB-CG 4.13Å; L54-L108 PolarHBondContact O-N 2.66Å; Q55-L108 HydrophobicContact CB-CB 4.43Å; Q55-L108 HydrophobicContact CB-CD1 4.27Å; V106-L108 HydrophobicContact CG1-CD2 4.43Å; L108-E119 HydrophobicContact CD1-CB 3.83Å; L108-T122 HydrophobicContact CD2-CG2 4.16Å; L108-L126 HydrophobicContact CD2-CD1 4.26Å; L108-L131 HydrophobicContact CD1-CD1 3.86Å
109G93.1Very high87.1Confident58 Ų5845.9 Ų45.960%0.59825%0.254SS*.  trans-90.31.9-17300000115.7I107I107-G109 PolarHBondContact O-N 2.83Å
110D92Very high89Confident112 Ų11243.4 Ų43.460%0.59924%0.236SC*.SBendtrans-73.8158.4174.7-83.1-25.8000111.7T112D110-T112 PolarHBondContact O-N 3.39Å; D110-T112 PolarHBondContact O-OG1 2.89Å
111V92.1Very high90.5Very high45 Ų4547.6 Ų47.627%0.27326%0.258SS..  trans-56.3129.6-179.9-66.80000111.9Y113 L294 E324V111-Y113 HydrophobicContact CB-CE2 4.02Å; V111-Y113 HydrophobicContact CG2-CD2 4.42Å; V111-Y113 HydrophobicContact CG2-CE2 3.68Å; V111-L294 HydrophobicContact CG2-CD1 4.32Å; V111-L294 HydrophobicContact CG2-CD2 4.04Å; V111-E324 HydrophobicContact CG2-CG 4.45Å
112T94.1Very high92.1Very high8 Ų844.7 Ų44.75%0.04925%0.25CS..  trans-124.594.3174.9-58.90000109.3Q55 M56 P57 D110 C117Q55-T112 HydrophobicContact CG-CG2 4.09Å; Q55-T112 WeakPolarHBondContact CG-OG1 3.25Å; Q55-T112 PolarHBondContact NE2-OG1 2.82Å; M56-T112 WeakPolarHBondContact O-CB 3.47Å; P57-T112 WeakPolarHBondContact CA-O 3.43Å; D110-T112 PolarHBondContact O-N 3.39Å; D110-T112 PolarHBondContact O-OG1 2.89Å; T112-C117 HydrophobicContact CG2-CB 4.13Å
113Y92.8Very high93Very high146 Ų14638 Ų3857%0.57322%0.215SC*.  trans-77.9-21.7-177.5-63.2-70.4000114.3V111 L294 E324V111-Y113 HydrophobicContact CB-CE2 4.02Å; V111-Y113 HydrophobicContact CG2-CD2 4.42Å; V111-Y113 HydrophobicContact CG2-CE2 3.68Å; Y113-L294 HydrophobicContact CD2-CD2 3.56Å; Y113-L294 HydrophobicContact CE2-CD2 3.73Å; Y113-E324 PolarHBondContact OH-OE1 3.34Å; Y113-E324 VanDerWaalsContact OH-OE1 3.11Å
114G91.2Very high93.1Very high12 Ų1243.7 Ų43.712%0.12424%0.239CC..SBendtrans-179.3-178.3-171.400000114.7C116 C117 H136G114-C116 PolarHBondContact O-N 2.97Å; G114-C117 WeakPolarHBondContact O-CB 3.28Å; G114-C117 PolarHBondContact O-N 2.76Å; G114-H136 WeakPolarHBondContact CA-NE2 3.25Å
115A88.3Confident93.1Very high4 Ų444.9 Ų44.93%0.03326%0.258CS..THydrogen-bonded Turntrans-56.3-20.4176.800000114.8H136 S137 L139A115-H136 HydrophobicContact CB-CB 3.87Å; A115-S137 WeakPolarHBondContact CB-O 3.43Å; A115-L139 HydrophobicContact CB-CB 3.48Å; A115-L139 VanDerWaalsContact CB-CB 3.48Å; A115-L139 HydrophobicContact CB-CD2 3.99Å; A115-L139 HydrophobicContact CB-CG 4.4Å
116C92.7Very high93Very high15 Ų1547.9 Ų47.910%0.10127%0.273CS..THydrogen-bonded Turntrans-83.9-917852.60000113.5G114 L139 K296 Q297 Y389G114-C116 PolarHBondContact O-N 2.97Å; C116-L139 HydrophobicContact CB-CD2 4.34Å; C116-K296 CarbonylContact O-C 3.55Å; C116-K296 PolarHBondContact O-N 3.3Å; C116-Q297 HydrophobicContact CB-CG 3.91Å; C116-Q297 PolarHBondContact O-N 2.79Å; C116-Q297 VanDerWaalsContact SG-CG 3.54Å; C116-Y389 HydrophobicContact CB-CE2 4.09Å
117C93.1Very high92.9Very high0 Ų048.1 Ų48.10%028%0.283CS..  trans-98.327.2-173.7-63.50000113.2Q55 T112 G114 E119 L294 Q297Q55-C117 PolarHBondContact NE2-O 2.83Å; T112-C117 HydrophobicContact CG2-CB 4.13Å; G114-C117 WeakPolarHBondContact O-CB 3.28Å; G114-C117 PolarHBondContact O-N 2.76Å; C117-E119 PolarHBondContact O-N 2.93Å; C117-L294 HydrophobicContact CB-CG 4.32Å; C117-Q297 PolarHBondContact SG-NE2 3.47Å
118V93.5Very high92.8Very high1 Ų145.9 Ų45.91%0.00627%0.272CS..  trans-69.4120.1-177-1730000110.8E120 L131 I140 L142 V147 Y149 G295V118-E120 VanDerWaalsContact C-N 3.28Å; V118-E120 PolarHBondContact O-N 2.86Å; V118-L131 HydrophobicContact CG1-CD2 3.51Å; V118-I140 HydrophobicContact CB-CD1 4.23Å; V118-I140 HydrophobicContact CG2-CD1 4.08Å; V118-L142 HydrophobicContact CB-CD1 4.2Å; V118-L142 HydrophobicContact CB-CD2 4.38Å; V118-L142 HydrophobicContact CG1-CD1 3.69Å; V118-L142 HydrophobicContact CG1-CD2 4.48Å; V118-L142 HydrophobicContact CG2-CD1 4.44Å; V118-V147 HydrophobicContact CG1-CG1 4.49Å; V118-Y149 HydrophobicContact CG2-CE1 4.11Å; V118-G295 WeakPolarHBondContact O-CA 3.16Å
119E92.1Very high92.8Very high24 Ų2448.5 Ų48.511%0.11229%0.286CS..  trans-84.263.8-173.3-79.1-56.4-75.700113.6L108 C117 L121 T122 A123 G295L108-E119 HydrophobicContact CD1-CB 3.83Å; C117-E119 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 2.88Å; E119-T122 PolarHBondContact OE1-OG1 3.4Å; E119-A123 VanDerWaalsContact O-CB 3.27Å; E119-A123 WeakPolarHBondContact O-CB 3.47Å; E119-A123 PolarHBondContact O-N 3.18Å; E119-A123 VanDerWaalsContact O-N 3.12Å; E119-G295 WeakPolarHBondContact OE2-CA 3.49Å; E119-G295 PolarHBondContact OE2-N 3.15Å
120E90.2Very high92.9Very high7 Ų745.8 Ų45.83%0.03326%0.258CS..Hα-helixtrans-62.7-40.3178.9177.9178.1-146.700112.8V118 K124 L142 D143 S144 I145 K296V118-E120 VanDerWaalsContact C-N 3.28Å; V118-E120 PolarHBondContact O-N 2.86Å; E120-K124 VanDerWaalsContact O-CB 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 PolarHBondContact O-N 2.78Å; E120-L142 HydrophobicContact CB-CD2 4.5Å; E120-D143 PolarHBondContact OE1-N 2.66Å; E120-S144 VanDerWaalsContact CG-OG 3.29Å; E120-S144 WeakPolarHBondContact CG-OG 3.42Å; E120-S144 WeakPolarHBondContact OE1-CA 3.42Å; E120-S144 VanDerWaalsContact OE1-CB 3.31Å; E120-S144 WeakPolarHBondContact OE1-CB 3.5Å; E120-S144 PolarHBondContact OE1-N 3.47Å; E120-S144 PolarHBondContact OE1-OG 3.15Å; E120-I145 HydrophobicContact CB-CG2 4.39Å; E120-I145 HydrophobicContact CG-CG2 3.87Å; E120-K296 WeakPolarHBondContact OE2-CE 3.38Å; E120-K296 IonicContact OE2-NZ 3.9Å; E120-K296 PolarHBondContact OE2-NZ 3.12Å
121L90Very high93.1Very high122 Ų12240.4 Ų40.464%0.63923%0.229SC*.Hα-helixtrans-67.1-48.3-175.9-66.4178.7000111.7E119 K124 A125E119-L121 PolarHBondContact O-N 2.88Å; L121-K124 PolarHBondContact O-N 2.66Å; L121-A125 WeakPolarHBondContact O-CB 3.28Å; L121-A125 PolarHBondContact O-N 2.91Å
122T92.5Very high93.4Very high53 Ų5338.3 Ų38.333%0.32522%0.216SC..Hα-helixtrans-62.9-45.7177.2-57.30000110.8L108 E119 K124 A125 L126L108-T122 HydrophobicContact CD2-CG2 4.16Å; E119-T122 PolarHBondContact OE1-OG1 3.4Å; T122-K124 VanDerWaalsContact C-N 3.34Å; T122-K124 PolarHBondContact O-N 3.26Å; T122-A125 PolarHBondContact O-N 2.86Å; T122-L126 HydrophobicContact CG2-CD1 4.09Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.9Å
123A93.8Very high93.5Very high0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-61.3-42177.600000112E119 L126 G127 V128 L131 I145E119-A123 VanDerWaalsContact O-CB 3.27Å; E119-A123 WeakPolarHBondContact O-CB 3.47Å; E119-A123 PolarHBondContact O-N 3.18Å; E119-A123 VanDerWaalsContact O-N 3.12Å; A123-L126 PolarHBondContact O-N 2.98Å; A123-G127 PolarHBondContact O-N 3.37Å; A123-V128 HydrophobicContact CB-CB 4.05Å; A123-V128 HydrophobicContact CB-CG1 4.4Å; A123-V128 HydrophobicContact CB-CG2 4.16Å; A123-V128 VanDerWaalsContact O-CB 3.27Å; A123-V128 WeakPolarHBondContact O-CB 3.37Å; A123-V128 WeakPolarHBondContact O-CG2 3.36Å; A123-V128 PolarHBondContact O-N 3.14Å; A123-L131 HydrophobicContact CB-CD2 4.43Å; A123-I145 HydrophobicContact CB-CD1 3.39Å
124K93.1Very high93.7Very high128 Ų12831 Ų3156%0.55719%0.187SC*.Hα-helixtrans-64-44.1175.1-175.3176.8-177.3176.50112.3E120 L121 T122 L126 G127E120-K124 VanDerWaalsContact O-CB 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.46Å; E120-K124 PolarHBondContact O-N 2.78Å; L121-K124 PolarHBondContact O-N 2.66Å; T122-K124 VanDerWaalsContact C-N 3.34Å; T122-K124 PolarHBondContact O-N 3.26Å; K124-L126 PolarHBondContact O-N 2.79Å; K124-G127 PolarHBondContact O-N 3.32Å
125A94.1Very high93.9Very high88 Ų8830.4 Ų30.473%0.72718%0.181SC*.Hα-helixtrans-62-33.4178.600000112.4L121 T122 G127L121-A125 WeakPolarHBondContact O-CB 3.28Å; L121-A125 PolarHBondContact O-N 2.91Å; T122-A125 PolarHBondContact O-N 2.86Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.38Å
126L94.4Very high94.2Very high72 Ų7231.3 Ų31.338%0.37718%0.184SC..THydrogen-bonded Turntrans-79.8-4.9175.5-69171.8000113.6R51 V106 L108 T122 A123 K124 V128R51-L126 WeakPolarHBondContact CD-O 3.33Å; R51-L126 PolarHBondContact NH1-O 2.97Å; V106-L126 HydrophobicContact CG1-CD1 4.21Å; L108-L126 HydrophobicContact CD2-CD1 4.26Å; T122-L126 HydrophobicContact CG2-CD1 4.09Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.9Å; A123-L126 PolarHBondContact O-N 2.98Å; K124-L126 PolarHBondContact O-N 2.79Å; L126-V128 VanDerWaalsContact C-N 3.33Å; L126-V128 HydrophobicContact CB-CG2 3.92Å
127G94.8Very high94.2Very high43 Ų4330.9 Ų30.944%0.44318%0.182SC..THydrogen-bonded Turntrans6439.2-174.700000112.4A123 K124 A125A123-G127 PolarHBondContact O-N 3.37Å; K124-G127 PolarHBondContact O-N 3.32Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.38Å
128V95.7Very high94Very high11 Ų1134.3 Ų34.37%0.06721%0.205CC..  trans-71.6131.3176.5172.10000109.8R51 A53 A123 L126 L130 I145R51-V128 HydrophobicContact CG-CG2 4.02Å; A53-V128 HydrophobicContact CB-CB 4.39Å; A53-V128 HydrophobicContact CB-CG1 3.72Å; A53-V128 HydrophobicContact CB-CG2 3.8Å; A123-V128 HydrophobicContact CB-CB 4.05Å; A123-V128 HydrophobicContact CB-CG1 4.4Å; A123-V128 HydrophobicContact CB-CG2 4.16Å; A123-V128 VanDerWaalsContact O-CB 3.27Å; A123-V128 WeakPolarHBondContact O-CB 3.37Å; A123-V128 WeakPolarHBondContact O-CG2 3.36Å; A123-V128 PolarHBondContact O-N 3.14Å; L126-V128 VanDerWaalsContact C-N 3.33Å; L126-V128 HydrophobicContact CB-CG2 3.92Å; V128-L130 WeakPolarHBondContact CG1-O 3.34Å; V128-I145 HydrophobicContact CB-CD1 3.89Å; V128-I145 HydrophobicContact CG1-CD1 3.89Å; V128-I145 WeakPolarHBondContact O-CD1 3.39Å
129D95.3Very high93.6Very high70 Ų7034.9 Ų34.937%0.37421%0.208SC..SBendtrans-83.5-32.8177-58.1-56.5000112A49 R50 R51 S146A49-D129 HydrophobicContact CB-CB 3.56Å; R50-D129 PolarHBondContact N-OD2 3.01Å; R51-D129 PolarHBondContact N-OD2 3.09Å; R51-D129 PolarHBondContact O-N 2.76Å; D129-S146 WeakPolarHBondContact O-CB 3.38Å
130L96Very high93.3Very high0 Ų034.2 Ų34.20%021%0.205CC..EExtended strand (participates in β ladder)trans-142.3120.6179.7176.763.8000111.2R43 I44 L47 A49 R51 I52 A53 V128 V132 S146 L148R43-L130 HydrophobicContact CB-CD2 4.16Å; R43-L130 HydrophobicContact CG-CD1 3.96Å; R43-L130 HydrophobicContact CG-CD2 3.85Å; I44-L130 HydrophobicContact CG1-CD2 3.73Å; L47-L130 HydrophobicContact CD1-CB 4.15Å; L47-L130 HydrophobicContact CD1-CD1 3.88Å; L47-L130 HydrophobicContact CD1-CG 4.41Å; A49-L130 HydrophobicContact CB-CB 4.19Å; R51-L130 PolarHBondContact O-N 3.47Å; I52-L130 CarbonylContact C-O 3.59Å; I52-L130 WeakPolarHBondContact CA-O 3.28Å; A53-L130 PolarHBondContact N-O 2.92Å; V128-L130 WeakPolarHBondContact CG1-O 3.34Å; L130-V132 HydrophobicContact CD2-CG2 4.06Å; L130-V132 HydrophobicContact CG-CG2 4.05Å; L130-S146 WeakPolarHBondContact CA-O 3.33Å; L130-L148 HydrophobicContact CD1-CB 3.95Å
131L96.5Very high92.8Very high0 Ų038.9 Ų38.90%024%0.235CC..EExtended strand (participates in β ladder)trans-93.9122.2166.5172.861.6000109.4A53 Q55 L108 V118 A123 I145 S146 V147 L148A53-L131 HydrophobicContact CB-CD1 3.69Å; Q55-L131 HydrophobicContact CB-CD1 3.9Å; L108-L131 HydrophobicContact CD1-CD1 3.86Å; V118-L131 HydrophobicContact CG1-CD2 3.51Å; A123-L131 HydrophobicContact CB-CD2 4.43Å; L131-I145 HydrophobicContact CB-CD1 4.23Å; L131-S146 PolarHBondContact N-O 3.33Å; L131-V147 HydrophobicContact CB-CG2 4.18Å; L131-V147 HydrophobicContact CD2-CG2 4.18Å; L131-V147 HydrophobicContact CG-CG1 4.4Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; L131-V147 CarbonylContact O-C 3.49Å; L131-V147 VanDerWaalsContact O-CA 3.26Å; L131-V147 WeakPolarHBondContact O-CA 3.5Å; L131-L148 PolarHBondContact O-N 3.32Å
132V97.2Very high92.5Very high0 Ų034.9 Ų34.90%022%0.215CC..EExtended strand (participates in β ladder)trans-101.3109.6172.9-165.70000108.4T40 I52 A53 L54 Q55 L130 Y134 L148 V150T40-V132 HydrophobicContact CG2-CG1 4.45Å; T40-V132 HydrophobicContact CG2-CG2 3.89Å; I52-V132 HydrophobicContact CG2-CG2 3.92Å; A53-V132 PolarHBondContact O-N 2.91Å; L54-V132 HydrophobicContact CD2-CB 4.04Å; L54-V132 HydrophobicContact CD2-CG2 4.2Å; Q55-V132 PolarHBondContact N-O 3.37Å; L130-V132 HydrophobicContact CD2-CG2 4.06Å; L130-V132 HydrophobicContact CG-CG2 4.05Å; V132-Y134 HydrophobicContact CB-CD2 4.48Å; V132-Y134 HydrophobicContact CB-CE2 3.81Å; V132-Y134 HydrophobicContact CG1-CD2 3.99Å; V132-Y134 HydrophobicContact CG1-CE1 4.37Å; V132-Y134 HydrophobicContact CG1-CE2 3.29Å; V132-L148 CarbonylContact C-O 3.51Å; V132-L148 WeakPolarHBondContact CA-O 3.21Å; V132-L148 HydrophobicContact CG1-CB 4.42Å; V132-L148 HydrophobicContact CG1-CD2 4.21Å; V132-L148 HydrophobicContact CG1-CG 4.34Å; V132-V150 HydrophobicContact CG1-CG2 3.75Å
133H96.5Very high91.8Very high0 Ų039.8 Ų39.80%024%0.239CC..EExtended strand (participates in β ladder)trans-102.1113.5-178-172.689.6000109.8Q55 H136 V147 L148 Y149 V150Q55-H133 PolarHBondContact OE1-ND1 2.79Å; H133-H136 AromaticContact CD2-ND1 3.89Å; H133-H136 AromaticContact CE1-ND1 3.81Å; H133-H136 AromaticContact NE2-CG 3.67Å; H133-H136 AromaticContact NE2-ND1 2.99Å; H133-H136 PolarHBondContact NE2-ND1 3.22Å; H133-V147 HydrophobicContact CB-CG1 4.17Å; H133-L148 PolarHBondContact N-O 3.25Å; H133-Y149 HydrophobicContact CB-CD1 4.28Å; H133-Y149 HydrophobicContact CB-CE1 4.46Å; H133-Y149 AromaticContact CD2-CD1 3.9Å; H133-Y149 AromaticContact CD2-CE1 3.96Å; H133-Y149 WeakPolarHBondContact O-CA 3.26Å; H133-V150 PolarHBondContact O-N 3.42Å
134Y97.4Very high91.1Very high0 Ų042.4 Ų42.40%026%0.257CS..EExtended strand (participates in β ladder)trans-96.1151.6-175-70.9-94.6000112.9F35 L54 Q55 M56 P57 I67 V132 H136 V150 V152F35-Y134 HydrophobicContact CB-CE1 4.23Å; F35-Y134 AromaticContact CD1-CD1 3.86Å; F35-Y134 HydrophobicContact CD1-CD1 3.86Å; F35-Y134 AromaticContact CD1-CE1 3.9Å; F35-Y134 HydrophobicContact CD1-CE1 3.9Å; L54-Y134 HydrophobicContact CD2-CE2 4.17Å; Q55-Y134 PolarHBondContact O-N 2.75Å; M56-Y134 HydrophobicContact CE-CD2 3.5Å; M56-Y134 HydrophobicContact CE-CE2 3.56Å; M56-Y134 HydrophobicContact CE-CG 4.02Å; M56-Y134 HydrophobicContact CG-CD2 3.9Å; M56-Y134 HydrophobicContact CG-CG 4.22Å; M56-Y134 HydrophobicContact SD-CD2 4.49Å; P57-Y134 WeakPolarHBondContact CD-O 3.44Å; I67-Y134 HydrophobicContact CD1-CE1 4.33Å; V132-Y134 HydrophobicContact CB-CD2 4.48Å; V132-Y134 HydrophobicContact CB-CE2 3.81Å; V132-Y134 HydrophobicContact CG1-CD2 3.99Å; V132-Y134 HydrophobicContact CG1-CE1 4.37Å; V132-Y134 HydrophobicContact CG1-CE2 3.29Å; Y134-H136 VanDerWaalsContact C-N 3.32Å; Y134-H136 PolarHBondContact O-N 2.85Å; Y134-H136 PolarHBondContact O-ND1 3.01Å; Y134-V150 CarbonylContact C-O 3.55Å; Y134-V150 VanDerWaalsContact CA-O 3.27Å; Y134-V150 WeakPolarHBondContact CA-O 3.36Å; Y134-V150 HydrophobicContact CD1-CB 3.57Å; Y134-V150 HydrophobicContact CD1-CG1 3.59Å; Y134-V150 HydrophobicContact CD1-CG2 4.25Å; Y134-V150 HydrophobicContact CE1-CB 3.71Å; Y134-V150 HydrophobicContact CE1-CG1 3.63Å; Y134-V150 HydrophobicContact CE1-CG2 3.92Å; Y134-V150 HydrophobicContact CG-CB 4.25Å; Y134-V152 HydrophobicContact CD1-CG2 3.79Å; Y134-V152 HydrophobicContact CG-CG2 4.5Å
135G95.4Very high90.8Very high0 Ų037.6 Ų37.60%024%0.237CC..SBendtrans82.5-1166.300000115.6V150 F151 I181 Q182G135-V150 PolarHBondContact N-O 2.94Å; G135-F151 WeakPolarHBondContact CA-O 3.37Å; G135-I181 WeakPolarHBondContact O-CG2 3.22Å; G135-Q182 PolarHBondContact O-NE2 3.11Å
136H94.5Very high90.7Very high24 Ų2435.3 Ų35.311%0.11122%0.216CC..  trans-136.8149.6-175.5-53.2119.8000112.8G114 A115 H133 Y134 F151G114-H136 WeakPolarHBondContact CA-NE2 3.25Å; A115-H136 HydrophobicContact CB-CB 3.87Å; H133-H136 AromaticContact CD2-ND1 3.89Å; H133-H136 AromaticContact CE1-ND1 3.81Å; H133-H136 AromaticContact NE2-CG 3.67Å; H133-H136 AromaticContact NE2-ND1 2.99Å; H133-H136 PolarHBondContact NE2-ND1 3.22Å; Y134-H136 VanDerWaalsContact C-N 3.32Å; Y134-H136 PolarHBondContact O-N 2.85Å; Y134-H136 PolarHBondContact O-ND1 3.01Å; H136-F151 VanDerWaalsContact O-CD1 3.31Å; H136-F151 WeakPolarHBondContact O-CD1 3.3Å
137S91.9Very high90.7Very high6 Ų633.3 Ų33.34%0.04221%0.207CC..  trans-74162.9171.360.50000112.1A115 L139 E213A115-S137 WeakPolarHBondContact CB-O 3.43Å; S137-L139 PolarHBondContact O-N 3.17Å; S137-E213 WeakPolarHBondContact CB-OE1 3.37Å; S137-E213 PolarHBondContact OG-OE1 2.76Å
138C88.4Confident90.7Very high72 Ų7232 Ų3249%0.48619%0.19SC..  trans-75.7108.7173.2-176.50000109.8Y149C138-Y149 HydrophobicContact CB-CD1 4.38Å; C138-Y149 HydrophobicContact CB-CD2 3.95Å; C138-Y149 HydrophobicContact CB-CE1 4.27Å; C138-Y149 HydrophobicContact CB-CE2 3.82Å; C138-Y149 HydrophobicContact CB-CG 4.22Å
139L85.9Confident90.6Very high13 Ų1333 Ų337%0.06819%0.192CC..  trans-105.4-35.4-177.6-175.463.6000113.3A115 C116 S137 P208 L209 L215 Y389A115-L139 HydrophobicContact CB-CB 3.48Å; A115-L139 VanDerWaalsContact CB-CB 3.48Å; A115-L139 HydrophobicContact CB-CD2 3.99Å; A115-L139 HydrophobicContact CB-CG 4.4Å; C116-L139 HydrophobicContact CB-CD2 4.34Å; S137-L139 PolarHBondContact O-N 3.17Å; L139-P208 HydrophobicContact CD1-CG 4.09Å; L139-L209 HydrophobicContact CD1-CD2 3.89Å; L139-L215 HydrophobicContact CD1-CD1 3.84Å; L139-L215 HydrophobicContact CD2-CD1 3.64Å; L139-L215 HydrophobicContact CG-CD1 4.32Å; L139-Y389 HydrophobicContact CD1-CG 4.21Å; L139-Y389 HydrophobicContact CD2-CD2 3.61Å; L139-Y389 HydrophobicContact CD2-CE2 3.97Å; L139-Y389 HydrophobicContact CD2-CG 3.92Å; L139-Y389 HydrophobicContact CG-CD1 4.43Å; L139-Y389 HydrophobicContact CG-CD2 4.25Å; L139-Y389 HydrophobicContact CG-CG 4.04Å
140I85.1Confident90.7Very high10 Ų1029.6 Ų29.65%0.05117%0.174CC..SBendtrans-119.3140.3-169.549.8169.7000110.2V118 L142 K296 Y389V118-I140 HydrophobicContact CB-CD1 4.23Å; V118-I140 HydrophobicContact CG2-CD1 4.08Å; I140-L142 HydrophobicContact CD1-CD2 4.22Å; I140-L142 HydrophobicContact CG1-CD2 4.49Å; I140-K296 HydrophobicContact CD1-CB 3.53Å; I140-K296 HydrophobicContact CD1-CG 3.64Å; I140-Y389 HydrophobicContact CG2-CD1 4.45Å; I140-Y389 HydrophobicContact CG2-CE1 3.86Å
141P81Confident90.6Very high104 Ų10433.5 Ų33.568%0.67519%0.191SC*.  trans-68.5142.217328.8-32.7000110.7
142L82.9Confident90.6Very high39 Ų3933.5 Ų33.520%0.20419%0.192CC..  trans-129.5138.2177.3-58.7174.7000108.6V118 E120 I140 V147 Y149 K296V118-L142 HydrophobicContact CB-CD1 4.2Å; V118-L142 HydrophobicContact CB-CD2 4.38Å; V118-L142 HydrophobicContact CG1-CD1 3.69Å; V118-L142 HydrophobicContact CG1-CD2 4.48Å; V118-L142 HydrophobicContact CG2-CD1 4.44Å; E120-L142 HydrophobicContact CB-CD2 4.5Å; I140-L142 HydrophobicContact CD1-CD2 4.22Å; I140-L142 HydrophobicContact CG1-CD2 4.49Å; L142-V147 HydrophobicContact CD1-CB 4.03Å; L142-V147 HydrophobicContact CD1-CG1 4.3Å; L142-V147 HydrophobicContact CD1-CG2 3.47Å; L142-V147 VanDerWaalsContact CD1-CG2 3.47Å; L142-Y149 WeakPolarHBondContact CD1-OH 3.12Å; L142-K296 HydrophobicContact CD2-CG 4.4Å
143D77.3Confident90.5Very high155 Ų15535.4 Ų35.483%0.82920%0.202SC*.  trans-117.9-24.2-168.4-65.8-35.8000113.5E120E120-D143 PolarHBondContact OE1-N 2.66Å
144S79.7Confident90.5Very high56 Ų5635.9 Ų35.939%0.39220%0.204SC..SBendtrans-114.7-5.5-162.1720000116.2E120E120-S144 VanDerWaalsContact CG-OG 3.29Å; E120-S144 WeakPolarHBondContact CG-OG 3.42Å; E120-S144 WeakPolarHBondContact OE1-CA 3.42Å; E120-S144 VanDerWaalsContact OE1-CB 3.31Å; E120-S144 WeakPolarHBondContact OE1-CB 3.5Å; E120-S144 PolarHBondContact OE1-N 3.47Å; E120-S144 PolarHBondContact OE1-OG 3.15Å
145I86.9Confident90.5Very high26 Ų2641.8 Ų41.813%0.13323%0.232CC..SBendtrans-143.5149.2178.8-167.5171.3000111.7E120 A123 V128 L131 V147E120-I145 HydrophobicContact CB-CG2 4.39Å; E120-I145 HydrophobicContact CG-CG2 3.87Å; A123-I145 HydrophobicContact CB-CD1 3.39Å; V128-I145 HydrophobicContact CB-CD1 3.89Å; V128-I145 HydrophobicContact CG1-CD1 3.89Å; V128-I145 WeakPolarHBondContact O-CD1 3.39Å; L131-I145 HydrophobicContact CB-CD1 4.23Å; I145-V147 HydrophobicContact CG2-CG2 3.7Å; I145-V147 PolarHBondContact O-N 3.18Å
146S93.2Very high90.5Very high41 Ų4143.1 Ų43.129%0.28724%0.239SC..  trans-71.1119.1169.3-72.20000109.9D129 L130 L131D129-S146 WeakPolarHBondContact O-CB 3.38Å; L130-S146 WeakPolarHBondContact CA-O 3.33Å; L131-S146 PolarHBondContact N-O 3.33Å
147V93.6Very high90.7Very high29 Ų2944.9 Ų44.918%0.17625%0.249CC..EExtended strand (participates in β ladder)trans-113.8133.8174.7-173.50000110.3V118 L131 H133 L142 I145 Y149V118-V147 HydrophobicContact CG1-CG1 4.49Å; L131-V147 HydrophobicContact CB-CG2 4.18Å; L131-V147 HydrophobicContact CD2-CG2 4.18Å; L131-V147 HydrophobicContact CG-CG1 4.4Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; L131-V147 CarbonylContact O-C 3.49Å; L131-V147 VanDerWaalsContact O-CA 3.26Å; L131-V147 WeakPolarHBondContact O-CA 3.5Å; H133-V147 HydrophobicContact CB-CG1 4.17Å; L142-V147 HydrophobicContact CD1-CB 4.03Å; L142-V147 HydrophobicContact CD1-CG1 4.3Å; L142-V147 HydrophobicContact CD1-CG2 3.47Å; L142-V147 VanDerWaalsContact CD1-CG2 3.47Å; I145-V147 HydrophobicContact CG2-CG2 3.7Å; I145-V147 PolarHBondContact O-N 3.18Å; V147-Y149 HydrophobicContact CB-CE2 4.25Å; V147-Y149 HydrophobicContact CG1-CD2 4.02Å; V147-Y149 HydrophobicContact CG1-CE2 3.76Å
148L94.3Very high91Very high17 Ų1746 Ų469%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-107.2115.3166.3174.463.3000108.4K39 T40 R43 L130 L131 V132 H133 V150K39-L148 HydrophobicContact CD-CD1 4.29Å; T40-L148 HydrophobicContact CG2-CD2 4.49Å; T40-L148 WeakPolarHBondContact OG1-CD2 3.44Å; R43-L148 HydrophobicContact CB-CD2 4.15Å; R43-L148 HydrophobicContact CG-CD2 4.42Å; L130-L148 HydrophobicContact CD1-CB 3.95Å; L131-L148 PolarHBondContact O-N 3.32Å; V132-L148 CarbonylContact C-O 3.51Å; V132-L148 WeakPolarHBondContact CA-O 3.21Å; V132-L148 HydrophobicContact CG1-CB 4.42Å; V132-L148 HydrophobicContact CG1-CD2 4.21Å; V132-L148 HydrophobicContact CG1-CG 4.34Å; H133-L148 PolarHBondContact N-O 3.25Å; L148-V150 HydrophobicContact CD2-CG2 4.26Å; L148-V150 HydrophobicContact CG-CG2 4.11Å
149Y94.6Very high91.4Very high30 Ų3047.1 Ų47.112%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-84.6126.6170.1-68.2-94.9000109.5V118 H133 C138 L142 V147V118-Y149 HydrophobicContact CG2-CE1 4.11Å; H133-Y149 HydrophobicContact CB-CD1 4.28Å; H133-Y149 HydrophobicContact CB-CE1 4.46Å; H133-Y149 AromaticContact CD2-CD1 3.9Å; H133-Y149 AromaticContact CD2-CE1 3.96Å; H133-Y149 WeakPolarHBondContact O-CA 3.26Å; C138-Y149 HydrophobicContact CB-CD1 4.38Å; C138-Y149 HydrophobicContact CB-CD2 3.95Å; C138-Y149 HydrophobicContact CB-CE1 4.27Å; C138-Y149 HydrophobicContact CB-CE2 3.82Å; C138-Y149 HydrophobicContact CB-CG 4.22Å; L142-Y149 WeakPolarHBondContact CD1-OH 3.12Å; V147-Y149 HydrophobicContact CB-CE2 4.25Å; V147-Y149 HydrophobicContact CG1-CD2 4.02Å; V147-Y149 HydrophobicContact CG1-CE2 3.76Å
150V96Very high92Very high0 Ų049.2 Ų49.20%027%0.267CS..EExtended strand (participates in β ladder)trans-116.5111.2172.1178.40000107.5F35 E36 V132 H133 Y134 G135 L148 V152F35-V150 WeakPolarHBondContact O-CG1 3.33Å; E36-V150 HydrophobicContact CB-CG1 4.03Å; E36-V150 HydrophobicContact CB-CG2 4.47Å; E36-V150 HydrophobicContact CG-CG1 4.11Å; V132-V150 HydrophobicContact CG1-CG2 3.75Å; H133-V150 PolarHBondContact O-N 3.42Å; Y134-V150 CarbonylContact C-O 3.55Å; Y134-V150 VanDerWaalsContact CA-O 3.27Å; Y134-V150 WeakPolarHBondContact CA-O 3.36Å; Y134-V150 HydrophobicContact CD1-CB 3.57Å; Y134-V150 HydrophobicContact CD1-CG1 3.59Å; Y134-V150 HydrophobicContact CD1-CG2 4.25Å; Y134-V150 HydrophobicContact CE1-CB 3.71Å; Y134-V150 HydrophobicContact CE1-CG1 3.63Å; Y134-V150 HydrophobicContact CE1-CG2 3.92Å; Y134-V150 HydrophobicContact CG-CB 4.25Å; G135-V150 PolarHBondContact N-O 2.94Å; L148-V150 HydrophobicContact CD2-CG2 4.26Å; L148-V150 HydrophobicContact CG-CG2 4.11Å; V150-V152 VanDerWaalsContact C-N 3.26Å; V150-V152 HydrophobicContact CG1-CG2 4.05Å; V150-V152 PolarHBondContact O-N 3.26Å
151F95Very high92.7Very high81 Ų8148.8 Ų48.836%0.35527%0.266SS..  trans-72.2-22.8-171.4-61.7-11.4000113.5G135 H136 I181G135-F151 WeakPolarHBondContact CA-O 3.37Å; H136-F151 VanDerWaalsContact O-CD1 3.31Å; H136-F151 WeakPolarHBondContact O-CD1 3.3Å; F151-I181 HydrophobicContact CB-CG1 3.77Å; F151-I181 HydrophobicContact CD1-CG1 4.26Å; F151-I181 HydrophobicContact CD2-CD1 3.78Å; F151-I181 HydrophobicContact CD2-CG1 3.67Å; F151-I181 HydrophobicContact CE2-CD1 4.05Å; F151-I181 HydrophobicContact CE2-CG1 4.32Å; F151-I181 HydrophobicContact CG-CD1 4.26Å; F151-I181 HydrophobicContact CG-CG1 3.64Å
152V96Very high93.5Very high1 Ų144.5 Ų44.51%0.00624%0.237CC..  trans59.572.8-173.9-168.80000110.3Y33 N34 F35 L60 Y134 V150 I154 Q182Y33-V152 HydrophobicContact CD1-CG1 3.67Å; Y33-V152 HydrophobicContact CG-CG1 4.4Å; N34-V152 WeakPolarHBondContact O-CA 3.35Å; F35-V152 HydrophobicContact CD1-CG1 4.33Å; F35-V152 HydrophobicContact CD1-CG2 4Å; F35-V152 HydrophobicContact CE1-CG1 4.09Å; F35-V152 HydrophobicContact CE1-CG2 4.18Å; F35-V152 HydrophobicContact CZ-CG1 4.3Å; L60-V152 HydrophobicContact CD1-CB 4.26Å; L60-V152 HydrophobicContact CD1-CG1 4.33Å; L60-V152 HydrophobicContact CD1-CG2 3.9Å; Y134-V152 HydrophobicContact CD1-CG2 3.79Å; Y134-V152 HydrophobicContact CG-CG2 4.5Å; V150-V152 VanDerWaalsContact C-N 3.26Å; V150-V152 HydrophobicContact CG1-CG2 4.05Å; V150-V152 PolarHBondContact O-N 3.26Å; V152-I154 PolarHBondContact O-N 2.68Å; V152-Q182 WeakPolarHBondContact O-CB 3.37Å; V152-Q182 WeakPolarHBondContact O-CG 3.41Å
153D95.7Very high94.2Very high40 Ų4046.2 Ų46.221%0.21425%0.246CC..EExtended strand (participates in β ladder)trans-65128.3173.6-17481.9000109.4N34 T185N34-D153 HydrophobicContact CB-CB 4.32Å; N34-D153 PolarHBondContact N-O 3.43Å; D153-T185 WeakPolarHBondContact OD1-CB 3.48Å; D153-T185 PolarHBondContact OD1-OG1 3.34Å
154I96.2Very high95.3Very high9 Ų939.5 Ų39.55%0.04621%0.211CC..EExtended strand (participates in β ladder)trans-112.2119.1-177.7-57.2173.9000108.8H32 Y33 V152 I156 Q182 F183 Y256H32-I154 WeakPolarHBondContact O-CA 3.47Å; Y33-I154 HydrophobicContact CD1-CD1 3.98Å; Y33-I154 HydrophobicContact CD1-CG1 3.82Å; Y33-I154 HydrophobicContact CD2-CG2 4.49Å; Y33-I154 HydrophobicContact CE1-CD1 3.44Å; Y33-I154 VanDerWaalsContact CE1-CD1 3.44Å; Y33-I154 HydrophobicContact CE1-CG1 3.79Å; Y33-I154 HydrophobicContact CE2-CG2 4.2Å; Y33-I154 HydrophobicContact CG-CG1 4.23Å; V152-I154 PolarHBondContact O-N 2.68Å; I154-I156 HydrophobicContact CG2-CG2 4.48Å; I154-Q182 HydrophobicContact CD1-CB 3.9Å; I154-Q182 HydrophobicContact CD1-CG 4.15Å; I154-Q182 HydrophobicContact CG1-CB 4.1Å; I154-Q182 PolarHBondContact N-O 3.15Å; I154-F183 HydrophobicContact CB-CD1 3.98Å; I154-F183 HydrophobicContact CB-CE1 3.62Å; I154-F183 HydrophobicContact CB-CZ 4.43Å; I154-F183 HydrophobicContact CD1-CE1 4.15Å; I154-F183 HydrophobicContact CD1-CZ 4.12Å; I154-F183 HydrophobicContact CG1-CE1 4.44Å; I154-F183 HydrophobicContact CG2-CD1 4.41Å; I154-F183 HydrophobicContact CG2-CE1 3.71Å; I154-Y256 WeakPolarHBondContact CD1-OH 3.29Å
155Q96.3Very high96.2Very high124 Ų12436.8 Ų36.858%0.57919%0.192SC*.  trans-74.6133175.6-63.9-173.7-18.900110.8H32H32-Q155 HydrophobicContact CB-CB 4.38Å; H32-Q155 PolarHBondContact O-N 3.2Å
156I97.2Very high96.7Very high29 Ų2940.2 Ų40.215%0.14921%0.206CC..  trans-127.8166.1-179.671.4178000110.6I154 I158 F183 V231 Y253 P255I154-I156 HydrophobicContact CG2-CG2 4.48Å; I156-I158 HydrophobicContact CD1-CD1 4.01Å; I156-I158 HydrophobicContact CG1-CD1 3.56Å; I156-I158 HydrophobicContact CG1-CG1 4.39Å; I156-I158 PolarHBondContact O-N 3.18Å; I156-F183 HydrophobicContact CG2-CD1 3.56Å; I156-F183 HydrophobicContact CG2-CE1 3.6Å; I156-V231 HydrophobicContact CD1-CG1 3.73Å; I156-Y253 HydrophobicContact CD1-CE1 4.34Å; I156-P255 HydrophobicContact CB-CB 3.75Å; I156-P255 HydrophobicContact CD1-CB 4.13Å; I156-P255 HydrophobicContact CG2-CB 3.4Å; I156-P255 HydrophobicContact CG2-CG 3.97Å
157D97.6Very high96.9Very high60 Ų6042.2 Ų42.232%0.32123%0.225SC..  trans-73.390172.1-169.9-19.9000110.9V159 H160 L161 Y253 K258D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 PolarHBondContact O-N 3.01Å; D157-V159 PolarHBondContact OD1-N 3.08Å; D157-H160 HydrophobicContact CB-CB 4Å; D157-H160 VanDerWaalsContact CG-CB 3.44Å; D157-H160 PolarHBondContact O-N 3.01Å; D157-H160 PolarHBondContact OD1-N 3.17Å; D157-L161 PolarHBondContact O-N 2.91Å; D157-L161 VanDerWaalsContact O-N 3.14Å; D157-Y253 PolarHBondContact O-OH 3.21Å; D157-K258 WeakPolarHBondContact OD2-CE 3.35Å; D157-K258 IonicContact OD2-NZ 3.17Å; D157-K258 PolarHBondContact OD2-NZ 3.11Å
158I97.7Very high97.1Very high31 Ų3145 Ų4516%0.15924%0.239CC..Hα-helixtrans-65.7-33.2-179.6-57.1-63.8000111.7I156 H160 L161 I162 S186 T189 A190I156-I158 HydrophobicContact CD1-CD1 4.01Å; I156-I158 HydrophobicContact CG1-CD1 3.56Å; I156-I158 HydrophobicContact CG1-CG1 4.39Å; I156-I158 PolarHBondContact O-N 3.18Å; I158-H160 VanDerWaalsContact C-N 3.35Å; I158-L161 PolarHBondContact O-N 3.25Å; I158-I162 HydrophobicContact CG2-CD1 3.73Å; I158-I162 HydrophobicContact CG2-CG1 4.3Å; I158-I162 WeakPolarHBondContact O-CD1 3.33Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.49Å; I158-I162 PolarHBondContact O-N 2.78Å; I158-S186 VanDerWaalsContact CD1-CB 3.43Å; I158-T189 HydrophobicContact CG1-CG2 4.42Å; I158-T189 HydrophobicContact CG2-CG2 4.27Å; I158-A190 HydrophobicContact CG2-CB 4.15Å
159V98.1Very high97.3Very high94 Ų9445.4 Ų45.457%0.5724%0.24SC*.Hα-helixtrans-63.9-46.8178.9178.50000109.2D157 L161 I162 D163D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 PolarHBondContact O-N 3.01Å; D157-V159 PolarHBondContact OD1-N 3.08Å; V159-L161 PolarHBondContact O-N 3.14Å; V159-I162 PolarHBondContact O-N 3.41Å; V159-D163 PolarHBondContact O-N 2.87Å
160H98.4Very high97.5Very high57 Ų5751.7 Ų51.726%0.26427%0.271SS..Hα-helixtrans-62.1-40.5176.2-175.2-85.8000112.9D157 I158 D163 S164 Y253 K258D157-H160 HydrophobicContact CB-CB 4Å; D157-H160 VanDerWaalsContact CG-CB 3.44Å; D157-H160 PolarHBondContact O-N 3.01Å; D157-H160 PolarHBondContact OD1-N 3.17Å; I158-H160 VanDerWaalsContact C-N 3.35Å; H160-D163 PolarHBondContact O-N 3.35Å; H160-S164 PolarHBondContact CE1-OG 3.12Å; H160-S164 PolarHBondContact ND1-OG 2.67Å; H160-S164 VanDerWaalsContact O-CB 3.32Å; H160-S164 WeakPolarHBondContact O-CB 3.47Å; H160-S164 PolarHBondContact O-N 2.85Å; H160-S164 PolarHBondContact O-OG 2.72Å; H160-Y253 AromaticContact CE1-CE2 3.88Å; H160-Y253 AromaticContact ND1-CE2 3.38Å; H160-Y253 WeakPolarHBondContact ND1-CE2 3.18Å; H160-Y253 AromaticContact ND1-CZ 3.57Å; H160-Y253 PolarHBondContact ND1-OH 3.11Å; H160-K258 PolarHBondContact CE1-O 3.43Å; H160-K258 VanDerWaalsContact CE1-O 3.23Å
161L98.6Very high97.4Very high2 Ų258.9 Ų58.91%0.0130%0.302CS..Hα-helixtrans-57.2-50.9172.9168.660.5000110.9D157 I158 V159 D163 S164 V165 A190 V231 Y253D157-L161 PolarHBondContact O-N 2.91Å; D157-L161 VanDerWaalsContact O-N 3.14Å; I158-L161 PolarHBondContact O-N 3.25Å; V159-L161 PolarHBondContact O-N 3.14Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 2.86Å; L161-S164 WeakPolarHBondContact O-CB 3.26Å; L161-S164 PolarHBondContact O-N 3.28Å; L161-V165 HydrophobicContact CD1-CG2 4.39Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 3Å; L161-A190 HydrophobicContact CD2-CB 4.03Å; L161-V231 HydrophobicContact CD1-CG2 4.21Å; L161-V231 HydrophobicContact CD2-CG2 4Å; L161-Y253 HydrophobicContact CB-CD1 4.28Å; L161-Y253 HydrophobicContact CB-CE1 3.85Å; L161-Y253 HydrophobicContact CB-CE2 4.3Å; L161-Y253 HydrophobicContact CD1-CD1 3.73Å; L161-Y253 HydrophobicContact CD1-CD2 3.98Å; L161-Y253 HydrophobicContact CD1-CE1 4.2Å; L161-Y253 HydrophobicContact CD1-CE2 4.43Å; L161-Y253 HydrophobicContact CD1-CG 3.59Å; L161-Y253 HydrophobicContact CG-CD1 4.44Å; L161-Y253 HydrophobicContact CG-CE1 4.49Å; L161-Y253 PolarHBondContact N-OH 2.87Å
162I98.6Very high97.5Very high14 Ų1459.2 Ų59.27%0.07231%0.314CS..Hα-helixtrans-60.7-45.2-179.4-69.8162.5000110.9I158 V159 S164 V165 K166 A190 P193 L194I158-I162 HydrophobicContact CG2-CD1 3.73Å; I158-I162 HydrophobicContact CG2-CG1 4.3Å; I158-I162 WeakPolarHBondContact O-CD1 3.33Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.49Å; I158-I162 PolarHBondContact O-N 2.78Å; V159-I162 PolarHBondContact O-N 3.41Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.77Å; I162-V165 WeakPolarHBondContact O-CB 3.43Å; I162-V165 PolarHBondContact O-N 3.28Å; I162-K166 HydrophobicContact CG2-CD 4.32Å; I162-K166 VanDerWaalsContact CG2-CE 3.42Å; I162-K166 WeakPolarHBondContact O-CG 3.32Å; I162-K166 PolarHBondContact O-N 3.32Å; I162-A190 HydrophobicContact CG1-CB 4.4Å; I162-P193 HydrophobicContact CD1-CB 3.64Å; I162-P193 HydrophobicContact CD1-CG 4Å; I162-L194 HydrophobicContact CB-CD2 4.46Å; I162-L194 HydrophobicContact CG1-CD2 4.41Å; I162-L194 HydrophobicContact CG1-CG 4.28Å; I162-L194 HydrophobicContact CG2-CD2 4.05Å
163D98.4Very high97.6Very high74 Ų7460 Ų6040%0.39632%0.32SS..Hα-helixtrans-69.2-33.1-179.3-69.9-18.6000112.1V159 H160 L161 V165 K166 A167V159-D163 PolarHBondContact O-N 2.87Å; H160-D163 PolarHBondContact O-N 3.35Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-D163 PolarHBondContact O-N 2.86Å; D163-V165 VanDerWaalsContact C-N 3.35Å; D163-K166 PolarHBondContact O-N 2.81Å; D163-K166 IonicContact OD1-NZ 3.36Å; D163-K166 PolarHBondContact OD1-NZ 2.94Å; D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 3.3Å
164S98.4Very high97.7Very high14 Ų1462.9 Ų62.910%0.09833%0.328CS..Hα-helixtrans-61.4-42.9170.3-60.80000111.3H160 L161 I162 A167 N168H160-S164 PolarHBondContact CE1-OG 3.12Å; H160-S164 PolarHBondContact ND1-OG 2.67Å; H160-S164 VanDerWaalsContact O-CB 3.32Å; H160-S164 WeakPolarHBondContact O-CB 3.47Å; H160-S164 PolarHBondContact O-N 2.85Å; H160-S164 PolarHBondContact O-OG 2.72Å; L161-S164 WeakPolarHBondContact O-CB 3.26Å; L161-S164 PolarHBondContact O-N 3.28Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.77Å; S164-A167 PolarHBondContact O-N 3.19Å; S164-N168 PolarHBondContact O-N 3.22Å; S164-N168 PolarHBondContact O-ND2 3.4Å
165V98.6Very high97.8Very high0 Ų062.5 Ų62.50%033%0.326CS..Hα-helixtrans-62.8-45.5173.9176.40000110.8L161 I162 D163 A167 N168 F169 L175 L194 Y199 I229L161-V165 HydrophobicContact CD1-CG2 4.39Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 3Å; I162-V165 WeakPolarHBondContact O-CB 3.43Å; I162-V165 PolarHBondContact O-N 3.28Å; D163-V165 VanDerWaalsContact C-N 3.35Å; V165-A167 VanDerWaalsContact C-N 3.28Å; V165-A167 PolarHBondContact O-N 3.01Å; V165-N168 PolarHBondContact O-N 2.84Å; V165-F169 HydrophobicContact CG1-CD2 4Å; V165-F169 PolarHBondContact O-N 3.22Å; V165-L175 HydrophobicContact CG1-CD1 3.56Å; V165-L194 HydrophobicContact CB-CD2 3.88Å; V165-L194 HydrophobicContact CG1-CD2 3.73Å; V165-L194 HydrophobicContact CG2-CD2 4.41Å; V165-Y199 HydrophobicContact CG1-CE1 4.43Å; V165-Y199 HydrophobicContact CG1-CE2 4.43Å; V165-I229 HydrophobicContact CG1-CD1 4.35Å; V165-I229 HydrophobicContact CG2-CD1 3.79Å
166K98.2Very high98Very high97 Ų9756.6 Ų56.642%0.42230%0.298SS..Hα-helixtrans-59.8-37.3178.8-70.1174.2-166.2151.40113.5I162 D163 N168 Y199I162-K166 HydrophobicContact CG2-CD 4.32Å; I162-K166 VanDerWaalsContact CG2-CE 3.42Å; I162-K166 WeakPolarHBondContact O-CG 3.32Å; I162-K166 PolarHBondContact O-N 3.32Å; D163-K166 PolarHBondContact O-N 2.81Å; D163-K166 IonicContact OD1-NZ 3.36Å; D163-K166 PolarHBondContact OD1-NZ 2.94Å; K166-N168 VanDerWaalsContact C-N 3.31Å; K166-Y199 WeakPolarHBondContact CA-OH 3.46Å; K166-Y199 HydrophobicContact CG-CE2 4.14Å
167A98Very high98Very high83 Ų8355.3 Ų55.369%0.68629%0.292SS*.Hα-helixtrans-72.9-22.4-179.400000113.4D163 S164 V165D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 3.3Å; S164-A167 PolarHBondContact O-N 3.19Å; V165-A167 VanDerWaalsContact C-N 3.28Å; V165-A167 PolarHBondContact O-N 3.01Å
168N98Very high98.1Very high89 Ų8952.5 Ų52.548%0.47628%0.277SS..Hα-helixtrans-114.2-14.8-169.7-71.6-82.9000114.8S164 V165 K166 F260S164-N168 PolarHBondContact O-N 3.22Å; S164-N168 PolarHBondContact O-ND2 3.4Å; V165-N168 PolarHBondContact O-N 2.84Å; K166-N168 VanDerWaalsContact C-N 3.31Å; N168-F260 HydrophobicContact CB-CD1 4.13Å; N168-F260 HydrophobicContact CB-CE1 3.94Å
169F98.4Very high98.1Very high25 Ų2551 Ų5111%0.1127%0.269CS..SBendtrans-128.1139.3-178.3-63-85.2000112.7V165 L175 Y199 A227 I229 Y251 F260V165-F169 HydrophobicContact CG1-CD2 4Å; V165-F169 PolarHBondContact O-N 3.22Å; F169-L175 HydrophobicContact CD1-CD2 3.87Å; F169-L175 HydrophobicContact CD2-CD2 4.48Å; F169-L175 HydrophobicContact CE1-CD2 4.04Å; F169-L175 HydrophobicContact CG-CD2 4.1Å; F169-L175 HydrophobicContact CZ-CD2 4.41Å; F169-Y199 HydrophobicContact CB-CE1 3.82Å; F169-Y199 WeakPolarHBondContact O-CE1 3.4Å; F169-Y199 PolarHBondContact O-OH 3.3Å; F169-A227 HydrophobicContact CD1-CB 4.44Å; F169-A227 HydrophobicContact CE1-CB 3.51Å; F169-A227 HydrophobicContact CZ-CB 3.99Å; F169-I229 HydrophobicContact CD2-CD1 4.43Å; F169-I229 HydrophobicContact CE2-CD1 3.79Å; F169-I229 HydrophobicContact CE2-CG1 4.35Å; F169-I229 HydrophobicContact CZ-CD1 4.22Å; F169-I229 HydrophobicContact CZ-CG1 4.37Å; F169-Y251 HydrophobicContact CE1-CD2 4.19Å; F169-Y251 AromaticContact CE1-CE2 3.63Å; F169-Y251 HydrophobicContact CE1-CE2 3.63Å; F169-Y251 AromaticContact CE1-CZ 3.98Å; F169-Y251 HydrophobicContact CZ-CD1 4.28Å; F169-Y251 AromaticContact CZ-CD2 3.57Å; F169-Y251 HydrophobicContact CZ-CD2 3.57Å; F169-Y251 HydrophobicContact CZ-CE1 4.19Å; F169-Y251 AromaticContact CZ-CE2 3.43Å; F169-Y251 HydrophobicContact CZ-CE2 3.43Å; F169-Y251 VanDerWaalsContact CZ-CE2 3.43Å; F169-Y251 AromaticContact CZ-CG 4Å; F169-Y251 HydrophobicContact CZ-CG 4Å; F169-Y251 AromaticContact CZ-CZ 3.77Å; F169-F260 AromaticContact CE2-CE1 3.66Å; F169-F260 HydrophobicContact CE2-CE1 3.66Å; F169-F260 AromaticContact CE2-CZ 3.64Å; F169-F260 HydrophobicContact CE2-CZ 3.64Å; F169-F260 HydrophobicContact CZ-CE1 4.26Å; F169-F260 HydrophobicContact CZ-CZ 4.23Å
170E97.2Very high98Very high161 Ų16147.1 Ų47.175%0.75225%0.246SC*.  trans-64.9146.8171-63.3-170.517100111S173 Y199E170-S173 VanDerWaalsContact O-CB 3.25Å; E170-S173 WeakPolarHBondContact O-CB 3.31Å; E170-S173 PolarHBondContact O-N 3.33Å; E170-S173 PolarHBondContact O-OG 3.46Å; E170-Y199 VanDerWaalsContact O-CE1 3.26Å; E170-Y199 WeakPolarHBondContact O-CE1 3.45Å
171K95.3Very high97.9Very high152 Ų15244.8 Ų44.866%0.66124%0.235SC*.THydrogen-bonded Turntrans-54.8151.9168.7-64.7-175.9177.3-177.80109.5S173K171-S173 PolarHBondContact O-N 3.17Å
172S96.3Very high97.8Very high87 Ų8746.3 Ų46.361%0.60824%0.242SC*.THydrogen-bonded Turntrans71.5-4.6-170.7770000116.7R174 G198S172-R174 PolarHBondContact O-N 3.4Å; S172-G198 WeakPolarHBondContact CA-O 3.39Å; S172-G198 PolarHBondContact N-O 2.65Å
173S98.1Very high97.7Very high19 Ų1945.9 Ų45.913%0.13324%0.24CC..  trans-56.1135.6170.7-61.20000111E170 K171 L200E170-S173 VanDerWaalsContact O-CB 3.25Å; E170-S173 WeakPolarHBondContact O-CB 3.31Å; E170-S173 PolarHBondContact O-N 3.33Å; E170-S173 PolarHBondContact O-OG 3.46Å; K171-S173 PolarHBondContact O-N 3.17Å; S173-L200 PolarHBondContact O-N 3.31Å
174R98.6Very high97.6Very high100 Ų10043.2 Ų43.238%0.37723%0.226SC..EExtended strand (participates in β ladder)trans-90111.6175.8-59.2170.8-59.6165.5-1.8108.8S172 L200 G224 V225 D226 A227S172-R174 PolarHBondContact O-N 3.4Å; R174-L200 CarbonylContact C-O 3.54Å; R174-L200 WeakPolarHBondContact CA-O 3.45Å; R174-L200 HydrophobicContact CB-CB 4.37Å; R174-L200 HydrophobicContact CG-CB 3.93Å; R174-L200 HydrophobicContact CG-CD1 3.68Å; R174-L200 HydrophobicContact CG-CG 4.42Å; R174-G224 VanDerWaalsContact CD-O 3.23Å; R174-G224 WeakPolarHBondContact CD-O 3.3Å; R174-G224 PolarHBondContact NE-O 3.25Å; R174-G224 PolarHBondContact NH1-O 2.86Å; R174-V225 HydrophobicContact CB-CB 4.32Å; R174-V225 HydrophobicContact CB-CG1 4.4Å; R174-D226 WeakPolarHBondContact CB-OD2 3.31Å; R174-D226 IonicContact CZ-OD1 2.85Å; R174-D226 PolarHBondContact N-OD2 3.35Å; R174-D226 IonicContact NE-OD1 3.9Å; R174-D226 PolarHBondContact NE-OD1 3.23Å; R174-D226 IonicContact NE-OD2 3.3Å; R174-D226 PolarHBondContact NE-OD2 2.85Å; R174-D226 IonicContact NH2-OD1 2.72Å; R174-D226 PolarHBondContact NH2-OD1 2.65Å; R174-D226 PolarHBondContact O-N 3.45Å; R174-A227 PolarHBondContact O-N 3.38Å
175L98.7Very high97.5Very high0 Ų045.9 Ų45.90%024%0.242CC..EExtended strand (participates in β ladder)trans-115.1135-172.3-55177.7000110V165 F169 Y199 L200 V201 T202 A227 I229V165-L175 HydrophobicContact CG1-CD1 3.56Å; F169-L175 HydrophobicContact CD1-CD2 3.87Å; F169-L175 HydrophobicContact CD2-CD2 4.48Å; F169-L175 HydrophobicContact CE1-CD2 4.04Å; F169-L175 HydrophobicContact CG-CD2 4.1Å; F169-L175 HydrophobicContact CZ-CD2 4.41Å; L175-Y199 HydrophobicContact CD1-CD1 3.8Å; L175-Y199 HydrophobicContact CD1-CE1 4.49Å; L175-Y199 HydrophobicContact CD1-CG 4.1Å; L175-L200 PolarHBondContact N-O 2.97Å; L175-V201 WeakPolarHBondContact O-CA 3.41Å; L175-T202 PolarHBondContact O-N 2.7Å; L175-T202 PolarHBondContact O-OG1 3.46Å; L175-A227 WeakPolarHBondContact CA-O 3.23Å; L175-A227 HydrophobicContact CD2-CB 3.99Å; L175-I229 HydrophobicContact CD1-CD1 4.06Å; L175-I229 HydrophobicContact CD2-CD1 4.32Å
176A98.6Very high97.4Very high0 Ų046.2 Ų46.20%024%0.244CC..EExtended strand (participates in β ladder)trans-103.1126166.600000109.6T202 V222 V225 A227 L228 I229A176-T202 WeakPolarHBondContact CA-O 3.27Å; A176-V222 HydrophobicContact CB-CG1 3.77Å; A176-V225 HydrophobicContact CB-CB 4.49Å; A176-V225 HydrophobicContact CB-CG1 4.22Å; A176-V225 HydrophobicContact CB-CG2 4.15Å; A176-A227 PolarHBondContact N-O 3.45Å; A176-L228 HydrophobicContact CB-CD1 3.73Å; A176-L228 WeakPolarHBondContact O-CA 3.3Å; A176-I229 PolarHBondContact O-N 2.68Å
177L98.8Very high97.4Very high3 Ų341.6 Ų41.62%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-102128.8175.1-51.8-176.8000110.3L187 L194 V201 T202 I203 P204 I229L177-L187 HydrophobicContact CB-CB 4.49Å; L177-L187 HydrophobicContact CB-CD1 4.4Å; L177-L187 HydrophobicContact CB-CD2 4.16Å; L177-L194 HydrophobicContact CD1-CD1 4.08Å; L177-V201 HydrophobicContact CD1-CG1 3.66Å; L177-V201 HydrophobicContact CG-CG1 3.74Å; L177-T202 PolarHBondContact N-O 3.31Å; L177-I203 HydrophobicContact CB-CG1 4.29Å; L177-P204 WeakPolarHBondContact O-CD 2.92Å; L177-I229 WeakPolarHBondContact CA-O 3.08Å; L177-I229 HydrophobicContact CD2-CB 3.8Å; L177-I229 HydrophobicContact CD2-CD1 4.1Å; L177-I229 HydrophobicContact CD2-CG1 4.4Å; L177-I229 HydrophobicContact CD2-CG2 4.29Å
178V98.6Very high97.3Very high0 Ų041.9 Ų41.90%021%0.211CC..EExtended strand (participates in β ladder)trans-138.6162177.7-65.10000111.2P204 G212 I214 L228 I229 Y230 V231 I241V178-P204 HydrophobicContact CG1-CG 3.57Å; V178-G212 CarbonylContact C-O 3.57Å; V178-G212 WeakPolarHBondContact CA-O 3.44Å; V178-I214 HydrophobicContact CB-CD1 4.29Å; V178-I214 HydrophobicContact CB-CG2 4.13Å; V178-I214 HydrophobicContact CG1-CG2 4.18Å; V178-I214 HydrophobicContact CG2-CD1 4.02Å; V178-L228 HydrophobicContact CB-CD1 4.43Å; V178-L228 HydrophobicContact CG1-CD1 3.91Å; V178-L228 HydrophobicContact CG2-CD1 3.66Å; V178-L228 HydrophobicContact CG2-CD2 4.27Å; V178-L228 HydrophobicContact CG2-CG 3.99Å; V178-I229 PolarHBondContact N-O 3.08Å; V178-Y230 HydrophobicContact CG2-CD2 4.22Å; V178-Y230 CarbonylContact O-C 3.41Å; V178-Y230 VanDerWaalsContact O-CA 3.32Å; V178-Y230 WeakPolarHBondContact O-CA 3.3Å; V178-V231 PolarHBondContact O-N 3.31Å; V178-I241 HydrophobicContact CB-CD1 4.43Å; V178-I241 HydrophobicContact CG1-CD1 3.81Å; V178-I241 HydrophobicContact CG2-CD1 4.17Å
179S98.2Very high97.3Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-165.3175.2-176.8178.10000110.6F183 G212 E213 I214 V231S179-F183 VanDerWaalsContact OG-CB 3.27Å; S179-F183 WeakPolarHBondContact OG-CB 3.22Å; S179-G212 PolarHBondContact N-O 3.47Å; S179-G212 VanDerWaalsContact O-O 3.13Å; S179-E213 CarbonylContact O-C 3.44Å; S179-E213 WeakPolarHBondContact O-CA 3.4Å; S179-I214 WeakPolarHBondContact O-CG1 3.45Å; S179-I214 PolarHBondContact O-N 3.15Å; S179-V231 PolarHBondContact OG-O 3.32Å; S179-V231 VanDerWaalsContact OG-O 3.09Å
180T96.6Very high97.3Very high13 Ų1340.3 Ų40.38%0.0821%0.207CC..  trans-77.1168.2155.662.10000111.6Q182 F183 V184 Y230 H237T180-Q182 PolarHBondContact O-N 3.13Å; T180-Q182 VanDerWaalsContact O-N 3.09Å; T180-Q182 PolarHBondContact OG1-OE1 3.27Å; T180-F183 PolarHBondContact O-N 2.93Å; T180-V184 WeakPolarHBondContact O-CG1 3.38Å; T180-Y230 HydrophobicContact CG2-CE2 4.43Å; T180-H237 HydrophobicContact CG2-CB 3.96Å; T180-H237 WeakPolarHBondContact CG2-ND1 3.49Å
181I95.9Very high97.3Very high7 Ų735.9 Ų35.94%0.03619%0.185CC..G310 helixtrans-54.4-30.2-177.2-167.264.6000113.6G135 F151 F183 V184 E213G135-I181 WeakPolarHBondContact O-CG2 3.22Å; F151-I181 HydrophobicContact CB-CG1 3.77Å; F151-I181 HydrophobicContact CD1-CG1 4.26Å; F151-I181 HydrophobicContact CD2-CD1 3.78Å; F151-I181 HydrophobicContact CD2-CG1 3.67Å; F151-I181 HydrophobicContact CE2-CD1 4.05Å; F151-I181 HydrophobicContact CE2-CG1 4.32Å; F151-I181 HydrophobicContact CG-CD1 4.26Å; F151-I181 HydrophobicContact CG-CG1 3.64Å; I181-F183 VanDerWaalsContact C-N 3.26Å; I181-F183 PolarHBondContact O-N 2.81Å; I181-V184 HydrophobicContact CD1-CG1 4.45Å; I181-V184 HydrophobicContact CD1-CG2 4.09Å; I181-V184 WeakPolarHBondContact O-CG2 3.4Å; I181-E213 HydrophobicContact CB-CG 4.46Å
182Q96.2Very high97.4Very high35 Ų3533.6 Ų33.616%0.16418%0.177CC..G310 helixtrans-65.4-24.3-177-62.686.6-12.800113.8G135 V152 I154 T180G135-Q182 PolarHBondContact O-NE2 3.11Å; V152-Q182 WeakPolarHBondContact O-CB 3.37Å; V152-Q182 WeakPolarHBondContact O-CG 3.41Å; I154-Q182 HydrophobicContact CD1-CB 3.9Å; I154-Q182 HydrophobicContact CD1-CG 4.15Å; I154-Q182 HydrophobicContact CG1-CB 4.1Å; I154-Q182 PolarHBondContact N-O 3.15Å; T180-Q182 PolarHBondContact O-N 3.13Å; T180-Q182 VanDerWaalsContact O-N 3.09Å; T180-Q182 PolarHBondContact OG1-OE1 3.27Å
183F97.2Very high97.5Very high4 Ų431.7 Ų31.72%0.01816%0.163CC..G310 helixtrans-121.912.4-178.6-39.3-84000114.2I154 I156 S179 T180 I181 T185 S186 L187 V231 P255 Y256I154-F183 HydrophobicContact CB-CD1 3.98Å; I154-F183 HydrophobicContact CB-CE1 3.62Å; I154-F183 HydrophobicContact CB-CZ 4.43Å; I154-F183 HydrophobicContact CD1-CE1 4.15Å; I154-F183 HydrophobicContact CD1-CZ 4.12Å; I154-F183 HydrophobicContact CG1-CE1 4.44Å; I154-F183 HydrophobicContact CG2-CD1 4.41Å; I154-F183 HydrophobicContact CG2-CE1 3.71Å; I156-F183 HydrophobicContact CG2-CD1 3.56Å; I156-F183 HydrophobicContact CG2-CE1 3.6Å; S179-F183 VanDerWaalsContact OG-CB 3.27Å; S179-F183 WeakPolarHBondContact OG-CB 3.22Å; T180-F183 PolarHBondContact O-N 2.93Å; I181-F183 VanDerWaalsContact C-N 3.26Å; I181-F183 PolarHBondContact O-N 2.81Å; F183-T185 PolarHBondContact O-N 2.91Å; F183-S186 VanDerWaalsContact O-CB 3.26Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 3.34Å; F183-S186 VanDerWaalsContact O-N 3.09Å; F183-L187 PolarHBondContact O-N 3.43Å; F183-V231 HydrophobicContact CB-CG1 4.01Å; F183-V231 HydrophobicContact CG-CG1 4.21Å; F183-P255 HydrophobicContact CD1-CG 4.44Å; F183-P255 HydrophobicContact CE1-CG 3.77Å; F183-P255 HydrophobicContact CE2-CG 4.49Å; F183-P255 HydrophobicContact CZ-CG 3.8Å; F183-Y256 HydrophobicContact CZ-CE2 4.2Å
184V96Very high97.5Very high19 Ų1930.9 Ų30.912%0.11516%0.157CC..Hα-helixtrans-61.1-33.9-179.7-62.70000112.3T180 I181 S186 L187 Q188 E213T180-V184 WeakPolarHBondContact O-CG1 3.38Å; I181-V184 HydrophobicContact CD1-CG1 4.45Å; I181-V184 HydrophobicContact CD1-CG2 4.09Å; I181-V184 WeakPolarHBondContact O-CG2 3.4Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 2.74Å; V184-L187 WeakPolarHBondContact O-CB 3.49Å; V184-L187 PolarHBondContact O-N 3.38Å; V184-Q188 PolarHBondContact O-N 3Å; V184-E213 HydrophobicContact CG1-CB 3.99Å
185T95.9Very high97.5Very high70 Ų7029.1 Ų29.143%0.42915%0.154SC..Hα-helixtrans-61.6-43.8175.8-48.40000110.8D153 F183 L187 Q188 T189D153-T185 WeakPolarHBondContact OD1-CB 3.48Å; D153-T185 PolarHBondContact OD1-OG1 3.34Å; F183-T185 PolarHBondContact O-N 2.91Å; T185-L187 VanDerWaalsContact C-N 3.27Å; T185-L187 PolarHBondContact O-N 3.21Å; T185-Q188 WeakPolarHBondContact O-CB 3.45Å; T185-Q188 PolarHBondContact O-N 3.01Å; T185-T189 PolarHBondContact O-N 2.8Å; T185-T189 PolarHBondContact O-OG1 2.98Å
186S97.3Very high97.5Very high7 Ų735.7 Ų35.75%0.04919%0.185CC..Hα-helixtrans-57.7-37.3175.9-60.60000112.7I158 F183 V184 T189 A190I158-S186 VanDerWaalsContact CD1-CB 3.43Å; F183-S186 VanDerWaalsContact O-CB 3.26Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 3.34Å; F183-S186 VanDerWaalsContact O-N 3.09Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 2.74Å; S186-T189 PolarHBondContact O-N 2.71Å; S186-A190 WeakPolarHBondContact O-CB 3.31Å; S186-A190 PolarHBondContact O-N 2.78Å
187L97.9Very high97.4Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-63.8-43.1174.5-52.9-173.3000111.8L177 F183 V184 T185 T189 A190 K191 I203 V231L177-L187 HydrophobicContact CB-CB 4.49Å; L177-L187 HydrophobicContact CB-CD1 4.4Å; L177-L187 HydrophobicContact CB-CD2 4.16Å; F183-L187 PolarHBondContact O-N 3.43Å; V184-L187 WeakPolarHBondContact O-CB 3.49Å; V184-L187 PolarHBondContact O-N 3.38Å; T185-L187 VanDerWaalsContact C-N 3.27Å; T185-L187 PolarHBondContact O-N 3.21Å; L187-T189 VanDerWaalsContact C-N 3.34Å; L187-A190 PolarHBondContact O-N 2.83Å; L187-K191 PolarHBondContact O-N 3.04Å; L187-K191 VanDerWaalsContact O-N 3.08Å; L187-I203 HydrophobicContact CB-CD1 4Å; L187-V231 HydrophobicContact CD2-CB 3.91Å; L187-V231 HydrophobicContact CD2-CG2 3.55Å
188Q95.8Very high97.4Very high89 Ų8938.5 Ų38.542%0.41621%0.212SC..Hα-helixtrans-64.5-41.4178.4-58-56.6-33.500110.9V184 T185 K191V184-Q188 PolarHBondContact O-N 3Å; T185-Q188 WeakPolarHBondContact O-CB 3.45Å; T185-Q188 PolarHBondContact O-N 3.01Å; Q188-K191 PolarHBondContact O-N 3.34Å
189T97Very high97.4Very high81 Ų8139 Ų3950%0.49721%0.214SC..Hα-helixtrans-66-38.6177-54.30000112.4I158 T185 S186 L187 P193I158-T189 HydrophobicContact CG1-CG2 4.42Å; I158-T189 HydrophobicContact CG2-CG2 4.27Å; T185-T189 PolarHBondContact O-N 2.8Å; T185-T189 PolarHBondContact O-OG1 2.98Å; S186-T189 PolarHBondContact O-N 2.71Å; L187-T189 VanDerWaalsContact C-N 3.34Å; T189-P193 WeakPolarHBondContact O-CD 3.41Å
190A98.1Very high97.4Very high0 Ų043.7 Ų43.70%024%0.239CC..Hα-helixtrans-73.9-24.9179.500000113.5I158 L161 I162 S186 L187 Q192 P193 L194I158-A190 HydrophobicContact CG2-CB 4.15Å; L161-A190 HydrophobicContact CD2-CB 4.03Å; I162-A190 HydrophobicContact CG1-CB 4.4Å; S186-A190 WeakPolarHBondContact O-CB 3.31Å; S186-A190 PolarHBondContact O-N 2.78Å; L187-A190 PolarHBondContact O-N 2.83Å; A190-Q192 PolarHBondContact O-N 2.83Å; A190-P193 WeakPolarHBondContact O-CD 3.33Å; A190-L194 HydrophobicContact CB-CD1 4.36Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 WeakPolarHBondContact O-CD1 3.32Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.49Å; A190-L194 PolarHBondContact O-N 3.28Å
191K98.1Very high97.4Very high68 Ų6843.5 Ų43.530%0.29624%0.238SC..Hα-helixtrans-58.2-53.4-173.5-177.1177.2-179.7179.70113.2L187 Q188 L194 L195 V201 I203L187-K191 PolarHBondContact O-N 3.04Å; L187-K191 VanDerWaalsContact O-N 3.08Å; Q188-K191 PolarHBondContact O-N 3.34Å; K191-L194 PolarHBondContact O-N 2.97Å; K191-L195 HydrophobicContact CG-CD1 4.12Å; K191-L195 WeakPolarHBondContact O-CG 3.33Å; K191-L195 PolarHBondContact O-N 3.08Å; K191-V201 HydrophobicContact CB-CG1 4.5Å; K191-V201 HydrophobicContact CG-CB 4.25Å; K191-V201 HydrophobicContact CG-CG1 4.01Å; K191-I203 HydrophobicContact CB-CD1 4.21Å; K191-I203 HydrophobicContact CD-CD1 3.89Å; K191-I203 HydrophobicContact CD-CG1 4.26Å; K191-I203 HydrophobicContact CG-CD1 4.48Å
192Q97.8Very high97.5Very high103 Ų10346.2 Ų46.248%0.48126%0.255SS..Hα-helixtrans-65.6-47-173.3-177.161.335.600112.6A190 L194 L195 E196A190-Q192 PolarHBondContact O-N 2.83Å; Q192-L194 VanDerWaalsContact C-N 3.29Å; Q192-L194 PolarHBondContact O-N 3.42Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 3.48Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.33Å; Q192-E196 PolarHBondContact NE2-OE1 2.93Å; Q192-E196 WeakPolarHBondContact O-CG 3.3Å; Q192-E196 PolarHBondContact O-N 3.23Å
193P98.2Very high97.6Very high48 Ų4845.7 Ų45.731%0.31225%0.253SS..Hα-helixtrans-58.8-35.4173.4-27.636.2000114.4I162 T189 A190 E196 A197I162-P193 HydrophobicContact CD1-CB 3.64Å; I162-P193 HydrophobicContact CD1-CG 4Å; T189-P193 WeakPolarHBondContact O-CD 3.41Å; A190-P193 WeakPolarHBondContact O-CD 3.33Å; P193-E196 PolarHBondContact O-N 2.82Å; P193-A197 WeakPolarHBondContact O-CB 3.18Å; P193-A197 PolarHBondContact O-N 3.21Å
194L98.5Very high97.6Very high1 Ų146.6 Ų46.61%0.00526%0.259CS..Hα-helixtrans-70.4-39176.3-72.7170.8000112I162 V165 L177 A190 K191 Q192 E196 A197 G198 Y199 V201I162-L194 HydrophobicContact CB-CD2 4.46Å; I162-L194 HydrophobicContact CG1-CD2 4.41Å; I162-L194 HydrophobicContact CG1-CG 4.28Å; I162-L194 HydrophobicContact CG2-CD2 4.05Å; V165-L194 HydrophobicContact CB-CD2 3.88Å; V165-L194 HydrophobicContact CG1-CD2 3.73Å; V165-L194 HydrophobicContact CG2-CD2 4.41Å; L177-L194 HydrophobicContact CD1-CD1 4.08Å; A190-L194 HydrophobicContact CB-CD1 4.36Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 WeakPolarHBondContact O-CD1 3.32Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.49Å; A190-L194 PolarHBondContact O-N 3.28Å; K191-L194 PolarHBondContact O-N 2.97Å; Q192-L194 VanDerWaalsContact C-N 3.29Å; Q192-L194 PolarHBondContact O-N 3.42Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.26Å; L194-A197 PolarHBondContact O-N 3.04Å; L194-G198 PolarHBondContact O-N 3.01Å; L194-Y199 HydrophobicContact CB-CD2 4.35Å; L194-Y199 HydrophobicContact CD2-CD2 3.95Å; L194-Y199 HydrophobicContact CD2-CE2 4.29Å; L194-Y199 WeakPolarHBondContact O-CB 3.47Å; L194-Y199 VanDerWaalsContact O-CD2 3.31Å; L194-Y199 WeakPolarHBondContact O-CD2 3.31Å; L194-Y199 PolarHBondContact O-N 3.38Å; L194-Y199 VanDerWaalsContact O-N 3.08Å; L194-V201 HydrophobicContact CB-CG2 3.63Å; L194-V201 HydrophobicContact CD1-CG2 4.33Å
195L98.2Very high97.6Very high63 Ų6350.2 Ų50.233%0.3328%0.275SS..Hα-helixtrans-59.7-44.7172.4-68.9172.2000111K191 Q192 A197 G198 Y199 V201K191-L195 HydrophobicContact CG-CD1 4.12Å; K191-L195 WeakPolarHBondContact O-CG 3.33Å; K191-L195 PolarHBondContact O-N 3.08Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 3.48Å; L195-A197 VanDerWaalsContact C-N 3.3Å; L195-A197 PolarHBondContact O-N 2.92Å; L195-G198 PolarHBondContact O-N 3.45Å; L195-Y199 WeakPolarHBondContact CD2-O 3.4Å; L195-V201 HydrophobicContact CD2-CB 4.04Å; L195-V201 HydrophobicContact CD2-CG2 4.32Å; L195-V201 HydrophobicContact CG-CB 4.35Å
196E97.8Very high97.5Very high139 Ų13947.8 Ų47.865%0.6526%0.26SS*.Hα-helixtrans-65.1-32.2177.1-71.6167.4-168.600113Q192 P193 L194 G198Q192-E196 WeakPolarHBondContact CG-OE1 3.33Å; Q192-E196 PolarHBondContact NE2-OE1 2.93Å; Q192-E196 WeakPolarHBondContact O-CG 3.3Å; Q192-E196 PolarHBondContact O-N 3.23Å; P193-E196 PolarHBondContact O-N 2.82Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.26Å; E196-G198 PolarHBondContact O-N 3.13Å
197A97.6Very high97.4Very high26 Ų2651.4 Ų51.422%0.21528%0.279CS..THydrogen-bonded Turntrans-71.9-7.4173.600000113.6P193 L194 L195 Y199P193-A197 WeakPolarHBondContact O-CB 3.18Å; P193-A197 PolarHBondContact O-N 3.21Å; L194-A197 PolarHBondContact O-N 3.04Å; L195-A197 VanDerWaalsContact C-N 3.3Å; L195-A197 PolarHBondContact O-N 2.92Å; A197-Y199 HydrophobicContact CB-CD2 3.96Å; A197-Y199 HydrophobicContact CB-CE2 3.9Å
198G98Very high97.2Very high36 Ų3653.8 Ų53.837%0.37129%0.294SS..THydrogen-bonded Turntrans100.315.8175.200000114.9S172 L194 L195 E196S172-G198 WeakPolarHBondContact CA-O 3.39Å; S172-G198 PolarHBondContact N-O 2.65Å; L194-G198 PolarHBondContact O-N 3.01Å; L195-G198 PolarHBondContact O-N 3.45Å; E196-G198 PolarHBondContact O-N 3.13Å
199Y98.5Very high97.1Very high9 Ų949.7 Ų49.74%0.03528%0.275CS..  trans-88.3158.6173.2-60.5-78.3000111.4V165 K166 F169 E170 L175 L194 L195 A197V165-Y199 HydrophobicContact CG1-CE1 4.43Å; V165-Y199 HydrophobicContact CG1-CE2 4.43Å; K166-Y199 WeakPolarHBondContact CA-OH 3.46Å; K166-Y199 HydrophobicContact CG-CE2 4.14Å; F169-Y199 HydrophobicContact CB-CE1 3.82Å; F169-Y199 WeakPolarHBondContact O-CE1 3.4Å; F169-Y199 PolarHBondContact O-OH 3.3Å; E170-Y199 VanDerWaalsContact O-CE1 3.26Å; E170-Y199 WeakPolarHBondContact O-CE1 3.45Å; L175-Y199 HydrophobicContact CD1-CD1 3.8Å; L175-Y199 HydrophobicContact CD1-CE1 4.49Å; L175-Y199 HydrophobicContact CD1-CG 4.1Å; L194-Y199 HydrophobicContact CB-CD2 4.35Å; L194-Y199 HydrophobicContact CD2-CD2 3.95Å; L194-Y199 HydrophobicContact CD2-CE2 4.29Å; L194-Y199 WeakPolarHBondContact O-CB 3.47Å; L194-Y199 VanDerWaalsContact O-CD2 3.31Å; L194-Y199 WeakPolarHBondContact O-CD2 3.31Å; L194-Y199 PolarHBondContact O-N 3.38Å; L194-Y199 VanDerWaalsContact O-N 3.08Å; L195-Y199 WeakPolarHBondContact CD2-O 3.4Å; A197-Y199 HydrophobicContact CB-CD2 3.96Å; A197-Y199 HydrophobicContact CB-CE2 3.9Å
200L98.2Very high97Very high99 Ų9947.8 Ų47.852%0.51827%0.265SS..EExtended strand (participates in β ladder)trans-103.3100170.4-66.9174.3000108.7S173 R174 L175S173-L200 PolarHBondContact O-N 3.31Å; R174-L200 CarbonylContact C-O 3.54Å; R174-L200 WeakPolarHBondContact CA-O 3.45Å; R174-L200 HydrophobicContact CB-CB 4.37Å; R174-L200 HydrophobicContact CG-CB 3.93Å; R174-L200 HydrophobicContact CG-CD1 3.68Å; R174-L200 HydrophobicContact CG-CG 4.42Å; L175-L200 PolarHBondContact N-O 2.97Å
201V98.3Very high97Very high10 Ų1050.3 Ų50.36%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-104.3125.5-170.6-174.80000112.4L175 L177 K191 L194 L195L175-V201 WeakPolarHBondContact O-CA 3.41Å; L177-V201 HydrophobicContact CD1-CG1 3.66Å; L177-V201 HydrophobicContact CG-CG1 3.74Å; K191-V201 HydrophobicContact CB-CG1 4.5Å; K191-V201 HydrophobicContact CG-CB 4.25Å; K191-V201 HydrophobicContact CG-CG1 4.01Å; L194-V201 HydrophobicContact CB-CG2 3.63Å; L194-V201 HydrophobicContact CD1-CG2 4.33Å; L195-V201 HydrophobicContact CD2-CB 4.04Å; L195-V201 HydrophobicContact CD2-CG2 4.32Å; L195-V201 HydrophobicContact CG-CB 4.35Å
202T97.7Very high96.9Very high64 Ų6447.1 Ų47.139%0.39327%0.268SS..EExtended strand (participates in β ladder)trans-115.1147.5172.861.20000110.6L175 A176 L177L175-T202 PolarHBondContact O-N 2.7Å; L175-T202 PolarHBondContact O-OG1 3.46Å; A176-T202 WeakPolarHBondContact CA-O 3.27Å; L177-T202 PolarHBondContact N-O 3.31Å
203I98.2Very high96.9Very high24 Ų2442.3 Ų42.312%0.12325%0.245CC..  trans-123.797172.2-62.8-177.5000105.6L177 L187 K191 P211L177-I203 HydrophobicContact CB-CG1 4.29Å; L187-I203 HydrophobicContact CB-CD1 4Å; K191-I203 HydrophobicContact CB-CD1 4.21Å; K191-I203 HydrophobicContact CD-CD1 3.89Å; K191-I203 HydrophobicContact CD-CG1 4.26Å; K191-I203 HydrophobicContact CG-CD1 4.48Å; I203-P211 VanDerWaalsContact CG2-C 3.45Å; I203-P211 HydrophobicContact CG2-CB 4.03Å
204P97.3Very high96.9Very high23 Ų2340 Ų4015%0.14923%0.231CC..  trans-70.9159.6-174.430.6-35.1000111.1L177 V178 G212 P220 V222L177-P204 WeakPolarHBondContact O-CD 2.92Å; V178-P204 HydrophobicContact CG1-CG 3.57Å; P204-G212 WeakPolarHBondContact O-CA 3.34Å; P204-G212 PolarHBondContact O-N 2.84Å; P204-P220 HydrophobicContact CB-CB 4.43Å; P204-P220 HydrophobicContact CB-CG 4.01Å; P204-P220 HydrophobicContact CG-CG 4.16Å; P204-V222 HydrophobicContact CB-CG2 4.15Å; P204-V222 HydrophobicContact CG-CG2 4Å
205Q95.7Very high96.8Very high95 Ų9541 Ų4144%0.44424%0.236SC..  trans-136134.1178.4-171.9179.518.300110.3L207 L209 P211Q205-L207 HydrophobicContact CG-CD2 4.37Å; Q205-L209 VanDerWaalsContact CG-O 3.3Å; Q205-L209 WeakPolarHBondContact CG-O 3.22Å; Q205-L209 PolarHBondContact NE2-O 3.46Å; Q205-P211 HydrophobicContact CB-CB 4.47Å; Q205-P211 HydrophobicContact CG-CG 4.38Å
206C94.1Very high96.7Very high18 Ų1838.3 Ų38.312%0.12222%0.222CC..  trans-116.4103.4167.5-176.50000108.8L209 T218 P220C206-L209 VanDerWaalsContact O-CB 3.25Å; C206-L209 WeakPolarHBondContact O-CB 3.4Å; C206-L209 WeakPolarHBondContact O-CG 3.39Å; C206-L209 PolarHBondContact O-N 3.13Å; C206-T218 HydrophobicContact CB-CG2 4.31Å; C206-T218 VanDerWaalsContact SG-CG2 3.55Å; C206-P220 HydrophobicContact CB-CB 4.03Å; C206-P220 HydrophobicContact CB-CG 4.43Å
207L94.4Very high96.6Very high84 Ų8432.2 Ų32.244%0.4420%0.195SC..THydrogen-bonded Turntrans-59.1139.7-179.6-66.8174.8000111Q205 A390 N391Q205-L207 HydrophobicContact CG-CD2 4.37Å; L207-A390 CarbonylContact O-C 3.44Å; L207-A390 WeakPolarHBondContact O-CA 3.35Å; L207-N391 HydrophobicContact CB-CB 4.11Å; L207-N391 PolarHBondContact O-N 2.92Å
208P93.3Very high96.5Very high49 Ų4931 Ų3132%0.31819%0.185SC..THydrogen-bonded Turncis-88.25.813.536.2-37.9000115.8L139 Y389L139-P208 HydrophobicContact CD1-CG 4.09Å; P208-Y389 WeakPolarHBondContact CD-O 3.39Å
209L95.1Very high96.4Very high3 Ų329.6 Ų29.62%0.01617%0.17CC..SBendtrans-68.6158.5-175.6-52.2179.4000112.6L139 Q205 C206 E213 L215 T218L139-L209 HydrophobicContact CD1-CD2 3.89Å; Q205-L209 VanDerWaalsContact CG-O 3.3Å; Q205-L209 WeakPolarHBondContact CG-O 3.22Å; Q205-L209 PolarHBondContact NE2-O 3.46Å; C206-L209 VanDerWaalsContact O-CB 3.25Å; C206-L209 WeakPolarHBondContact O-CB 3.4Å; C206-L209 WeakPolarHBondContact O-CG 3.39Å; C206-L209 PolarHBondContact O-N 3.13Å; L209-E213 HydrophobicContact CB-CB 4.05Å; L209-E213 HydrophobicContact CB-CG 4.18Å; L209-E213 HydrophobicContact CD1-CG 4.47Å; L209-L215 HydrophobicContact CD1-CB 4.35Å; L209-L215 HydrophobicContact CD1-CD1 4.23Å; L209-L215 HydrophobicContact CD1-CG 3.78Å; L209-L215 HydrophobicContact CD2-CD1 3.55Å; L209-L215 HydrophobicContact CD2-CG 3.84Å; L209-L215 HydrophobicContact CG-CG 4.48Å; L209-T218 HydrophobicContact CD1-CG2 3.94Å; L209-T218 HydrophobicContact CG-CG2 4.42Å
210S94.7Very high96.3Very high41 Ų4129.8 Ų29.829%0.28717%0.172SC..PPolyproline II helixtrans-67.1157.3174.4-55.30000111.3G212 E213S210-G212 PolarHBondContact O-N 3.21Å; S210-E213 WeakPolarHBondContact CB-OE2 3.49Å; S210-E213 PolarHBondContact N-OE2 3.44Å; S210-E213 VanDerWaalsContact O-CB 3.28Å; S210-E213 WeakPolarHBondContact O-CB 3.41Å; S210-E213 PolarHBondContact O-N 3.18Å; S210-E213 PolarHBondContact OG-OE2 2.8Å
211P96.7Very high96Very high54 Ų5431 Ų3135%0.35117%0.173SC..THydrogen-bonded Turntrans-56.5125.6173.2-24.134.2000111.8I203 Q205 E213I203-P211 VanDerWaalsContact CG2-C 3.45Å; I203-P211 HydrophobicContact CG2-CB 4.03Å; Q205-P211 HydrophobicContact CB-CB 4.47Å; Q205-P211 HydrophobicContact CG-CG 4.38Å; P211-E213 VanDerWaalsContact C-N 3.26Å; P211-E213 PolarHBondContact O-N 3.48Å
212G97.6Very high95.9Very high0 Ų031.3 Ų31.30%018%0.175CC..THydrogen-bonded Turntrans87.4-12.5-17900000113.7V178 S179 P204 S210V178-G212 CarbonylContact C-O 3.57Å; V178-G212 WeakPolarHBondContact CA-O 3.44Å; S179-G212 PolarHBondContact N-O 3.47Å; S179-G212 VanDerWaalsContact O-O 3.13Å; P204-G212 WeakPolarHBondContact O-CA 3.34Å; P204-G212 PolarHBondContact O-N 2.84Å; S210-G212 PolarHBondContact O-N 3.21Å
213E97.6Very high95.6Very high3 Ų335 Ų351%0.01419%0.188CC..BIsolated β-bridgetrans-77.3132.1178.6-174.2-175.1-175.400111.2S137 S179 I181 V184 L209 S210 P211S137-E213 WeakPolarHBondContact CB-OE1 3.37Å; S137-E213 PolarHBondContact OG-OE1 2.76Å; S179-E213 CarbonylContact O-C 3.44Å; S179-E213 WeakPolarHBondContact O-CA 3.4Å; I181-E213 HydrophobicContact CB-CG 4.46Å; V184-E213 HydrophobicContact CG1-CB 3.99Å; L209-E213 HydrophobicContact CB-CB 4.05Å; L209-E213 HydrophobicContact CB-CG 4.18Å; L209-E213 HydrophobicContact CD1-CG 4.47Å; S210-E213 WeakPolarHBondContact CB-OE2 3.49Å; S210-E213 PolarHBondContact N-OE2 3.44Å; S210-E213 VanDerWaalsContact O-CB 3.28Å; S210-E213 WeakPolarHBondContact O-CB 3.41Å; S210-E213 PolarHBondContact O-N 3.18Å; S210-E213 PolarHBondContact OG-OE2 2.8Å; P211-E213 VanDerWaalsContact C-N 3.26Å; P211-E213 PolarHBondContact O-N 3.48Å
214I97.4Very high95.5Very high0 Ų036.3 Ų36.30%021%0.208CC..  trans-127.9147.4172.559.6171.8000111.1V178 S179 Y230 H237 I241V178-I214 HydrophobicContact CB-CD1 4.29Å; V178-I214 HydrophobicContact CB-CG2 4.13Å; V178-I214 HydrophobicContact CG1-CG2 4.18Å; V178-I214 HydrophobicContact CG2-CD1 4.02Å; S179-I214 WeakPolarHBondContact O-CG1 3.45Å; S179-I214 PolarHBondContact O-N 3.15Å; I214-Y230 HydrophobicContact CD1-CD2 3.8Å; I214-Y230 HydrophobicContact CD1-CE2 4.05Å; I214-Y230 HydrophobicContact CG1-CD2 4.49Å; I214-Y230 HydrophobicContact CG1-CE2 4.4Å; I214-H237 HydrophobicContact CD1-CB 4.31Å; I214-H237 WeakPolarHBondContact CD1-O 3.31Å; I214-H237 HydrophobicContact CG1-CB 4.26Å; I214-I241 HydrophobicContact CD1-CB 3.95Å; I214-I241 HydrophobicContact CD1-CG2 3.47Å; I214-I241 VanDerWaalsContact CD1-CG2 3.47Å; I214-I241 HydrophobicContact CG2-CD1 4.03Å
215L96.8Very high95.5Very high22 Ų2236.1 Ų36.112%0.11521%0.206CC..BIsolated β-bridgetrans-119.6160.1176.1-63-175.3000111.1L139 L209 C217 T218 S219 S240L139-L215 HydrophobicContact CD1-CD1 3.84Å; L139-L215 HydrophobicContact CD2-CD1 3.64Å; L139-L215 HydrophobicContact CG-CD1 4.32Å; L209-L215 HydrophobicContact CD1-CB 4.35Å; L209-L215 HydrophobicContact CD1-CD1 4.23Å; L209-L215 HydrophobicContact CD1-CG 3.78Å; L209-L215 HydrophobicContact CD2-CD1 3.55Å; L209-L215 HydrophobicContact CD2-CG 3.84Å; L209-L215 HydrophobicContact CG-CG 4.48Å; L215-C217 PolarHBondContact O-N 2.97Å; L215-T218 PolarHBondContact N-O 3.27Å; L215-T218 PolarHBondContact O-N 3.35Å; L215-S219 PolarHBondContact O-OG 3.1Å; L215-S240 VanDerWaalsContact O-CB 3.27Å; L215-S240 WeakPolarHBondContact O-CB 3.48Å; L215-S240 PolarHBondContact O-OG 3.22Å
216G96.1Very high95.6Very high5 Ų534.9 Ų34.95%0.05220%0.202CC..THydrogen-bonded Turntrans-58.1-19.6175.400000114.1F236 H237 S240 R347 M386G216-F236 VanDerWaalsContact CA-CE1 3.48Å; G216-H237 PolarHBondContact N-CD2 2.8Å; G216-H237 VanDerWaalsContact N-CD2 3.33Å; G216-S240 PolarHBondContact O-OG 3.09Å; G216-R347 WeakPolarHBondContact O-CD 3.26Å; G216-R347 WeakPolarHBondContact O-CG 3.23Å; G216-M386 WeakPolarHBondContact O-CE 3.33Å
217C95.7Very high95.8Very high12 Ų1234.2 Ų34.28%0.08120%0.198CC..THydrogen-bonded Turntrans-118.9-3.3-177.160.30000113.7L215 P346 M386 Y388L215-C217 PolarHBondContact O-N 2.97Å; C217-P346 HydrophobicContact CB-CG 3.95Å; C217-M386 CarbonylContact O-C 3.51Å; C217-Y388 WeakPolarHBondContact O-CB 3.36Å; C217-Y388 PolarHBondContact O-N 3.08Å
218T95.8Very high96Very high0 Ų030.3 Ų30.30%018%0.177CC..BIsolated β-bridgetrans-148.8106.9-175.2-60.30000109.9C206 L209 L215 M386 Y389 A390C206-T218 HydrophobicContact CB-CG2 4.31Å; C206-T218 VanDerWaalsContact SG-CG2 3.55Å; L209-T218 HydrophobicContact CD1-CG2 3.94Å; L209-T218 HydrophobicContact CG-CG2 4.42Å; L215-T218 PolarHBondContact N-O 3.27Å; L215-T218 PolarHBondContact O-N 3.35Å; T218-M386 CarbonylContact C-O 3.54Å; T218-M386 WeakPolarHBondContact CA-O 3.48Å; T218-Y389 PolarHBondContact OG1-N 3.34Å; T218-A390 HydrophobicContact CG2-CB 4.13Å
219S96.2Very high96.3Very high7 Ų728 Ų285%0.04916%0.162CC..  trans-140.5137.7179.6-72.10000111.5L215 S240 I241 S244 M386L215-S219 PolarHBondContact O-OG 3.1Å; S219-S240 WeakPolarHBondContact OG-CB 3.49Å; S219-S240 PolarHBondContact OG-OG 2.93Å; S219-I241 PolarHBondContact OG-N 3.33Å; S219-S244 PolarHBondContact O-OG 3.42Å; S219-M386 PolarHBondContact N-O 2.89Å
220P94.4Very high96.5Very high13 Ų1327.9 Ų27.98%0.08416%0.162CC..  trans-69.9153.318029.3-33.6000112.1P204 C206 V222 I241 N245P204-P220 HydrophobicContact CB-CB 4.43Å; P204-P220 HydrophobicContact CB-CG 4.01Å; P204-P220 HydrophobicContact CG-CG 4.16Å; C206-P220 HydrophobicContact CB-CB 4.03Å; C206-P220 HydrophobicContact CB-CG 4.43Å; P220-V222 HydrophobicContact CG-CG2 4.25Å; P220-I241 HydrophobicContact CG-CD1 4.21Å; P220-N245 PolarHBondContact O-ND2 3.02Å
221K93.3Very high96.7Very high124 Ų12426 Ų2654%0.53915%0.148SC..  trans-77.3134155.8-163.9-176.4-175.9-152.70108.4E223 N245K221-E223 WeakPolarHBondContact CE-OE1 3.17Å; K221-E223 IonicContact NZ-OE1 2.65Å; K221-E223 PolarHBondContact NZ-OE1 3.46Å; K221-N245 WeakPolarHBondContact CA-OD1 3.49Å
222V94.9Very high96.7Very high17 Ų1723.4 Ų23.410%0.10313%0.131CC..  trans-120122.4-176.7-168.50000108.3A176 P204 P220 V225 I241 N245 L248A176-V222 HydrophobicContact CB-CG1 3.77Å; P204-V222 HydrophobicContact CB-CG2 4.15Å; P204-V222 HydrophobicContact CG-CG2 4Å; P220-V222 HydrophobicContact CG-CG2 4.25Å; V222-V225 HydrophobicContact CB-CG2 4.43Å; V222-V225 HydrophobicContact CG1-CG1 4.27Å; V222-V225 HydrophobicContact CG1-CG2 3.54Å; V222-I241 HydrophobicContact CG2-CD1 4.08Å; V222-N245 PolarHBondContact N-OD1 3.01Å; V222-L248 HydrophobicContact CB-CD2 4.11Å; V222-L248 HydrophobicContact CG1-CD2 4.45Å
223E92.9Very high96.5Very high141 Ų14127.3 Ų27.366%0.65915%0.153SC*.  trans-121.6155.9-176.8-62.2-173.4168.800110.4K221 V225K221-E223 WeakPolarHBondContact CE-OE1 3.17Å; K221-E223 IonicContact NZ-OE1 2.65Å; K221-E223 PolarHBondContact NZ-OE1 3.46Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.17Å
224G95.5Very high96.3Very high52 Ų5228.5 Ų28.554%0.53617%0.166SC..SBendtrans70.921.7175.700000114.9R174R174-G224 VanDerWaalsContact CD-O 3.23Å; R174-G224 WeakPolarHBondContact CD-O 3.3Å; R174-G224 PolarHBondContact NE-O 3.25Å; R174-G224 PolarHBondContact NH1-O 2.86Å
225V97.6Very high96.2Very high18 Ų1833.1 Ų33.111%0.10918%0.183CC..  trans-122152.8175.2-61.70000111.1R174 A176 V222 E223 L248R174-V225 HydrophobicContact CB-CB 4.32Å; R174-V225 HydrophobicContact CB-CG1 4.4Å; A176-V225 HydrophobicContact CB-CB 4.49Å; A176-V225 HydrophobicContact CB-CG1 4.22Å; A176-V225 HydrophobicContact CB-CG2 4.15Å; V222-V225 HydrophobicContact CB-CG2 4.43Å; V222-V225 HydrophobicContact CG1-CG1 4.27Å; V222-V225 HydrophobicContact CG1-CG2 3.54Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.17Å; V225-L248 HydrophobicContact CG2-CD1 3.76Å; V225-L248 HydrophobicContact CG2-CD2 3.71Å; V225-L248 HydrophobicContact CG2-CG 4.42Å
226D98Very high96.2Very high70 Ų7035.6 Ų35.637%0.37419%0.193SC..SBendtrans-88.8-35.3-179.8-53.5-45.8000111R174 A249R174-D226 WeakPolarHBondContact CB-OD2 3.31Å; R174-D226 IonicContact CZ-OD1 2.85Å; R174-D226 PolarHBondContact N-OD2 3.35Å; R174-D226 IonicContact NE-OD1 3.9Å; R174-D226 PolarHBondContact NE-OD1 3.23Å; R174-D226 IonicContact NE-OD2 3.3Å; R174-D226 PolarHBondContact NE-OD2 2.85Å; R174-D226 IonicContact NH2-OD1 2.72Å; R174-D226 PolarHBondContact NH2-OD1 2.65Å; R174-D226 PolarHBondContact O-N 3.45Å; D226-A249 WeakPolarHBondContact O-CB 3.32Å
227A98.5Very high96.3Very high3 Ų337.6 Ų37.63%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-146.2150.1178.200000113.4F169 R174 L175 A176 A249 Y251F169-A227 HydrophobicContact CD1-CB 4.44Å; F169-A227 HydrophobicContact CE1-CB 3.51Å; F169-A227 HydrophobicContact CZ-CB 3.99Å; R174-A227 PolarHBondContact O-N 3.38Å; L175-A227 WeakPolarHBondContact CA-O 3.23Å; L175-A227 HydrophobicContact CD2-CB 3.99Å; A176-A227 PolarHBondContact N-O 3.45Å; A227-A249 CarbonylContact C-O 3.5Å; A227-A249 VanDerWaalsContact CA-O 3.25Å; A227-A249 WeakPolarHBondContact CA-O 3.43Å; A227-A249 HydrophobicContact CB-CB 4.37Å; A227-Y251 HydrophobicContact CB-CD2 4.12Å; A227-Y251 HydrophobicContact CB-CE2 3.94Å
228L98.6Very high96.4Very high2 Ų237 Ų371%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-101.7131.8169.2-177.175.4000109.1A176 V178 I241 L248 A249 A250 Y251A176-L228 HydrophobicContact CB-CD1 3.73Å; A176-L228 WeakPolarHBondContact O-CA 3.3Å; V178-L228 HydrophobicContact CB-CD1 4.43Å; V178-L228 HydrophobicContact CG1-CD1 3.91Å; V178-L228 HydrophobicContact CG2-CD1 3.66Å; V178-L228 HydrophobicContact CG2-CD2 4.27Å; V178-L228 HydrophobicContact CG2-CG 3.99Å; L228-I241 HydrophobicContact CD1-CD1 3.73Å; L228-I241 HydrophobicContact CD2-CB 4.22Å; L228-I241 HydrophobicContact CD2-CD1 3.78Å; L228-I241 HydrophobicContact CD2-CG1 3.74Å; L228-I241 HydrophobicContact CD2-CG2 3.51Å; L228-I241 HydrophobicContact CG-CD1 4.41Å; L228-L248 HydrophobicContact CB-CD2 3.8Å; L228-L248 HydrophobicContact CB-CG 4.12Å; L228-A249 PolarHBondContact N-O 3.08Å; L228-A250 HydrophobicContact CD2-CB 4.37Å; L228-A250 CarbonylContact O-C 3.53Å; L228-A250 WeakPolarHBondContact O-CA 3.33Å; L228-Y251 PolarHBondContact O-N 3.27Å
229I98.8Very high96.5Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-118.4113.7174.5-57.9175.5000107.8V165 F169 L175 A176 L177 V178 F260V165-I229 HydrophobicContact CG1-CD1 4.35Å; V165-I229 HydrophobicContact CG2-CD1 3.79Å; F169-I229 HydrophobicContact CD2-CD1 4.43Å; F169-I229 HydrophobicContact CE2-CD1 3.79Å; F169-I229 HydrophobicContact CE2-CG1 4.35Å; F169-I229 HydrophobicContact CZ-CD1 4.22Å; F169-I229 HydrophobicContact CZ-CG1 4.37Å; L175-I229 HydrophobicContact CD1-CD1 4.06Å; L175-I229 HydrophobicContact CD2-CD1 4.32Å; A176-I229 PolarHBondContact O-N 2.68Å; L177-I229 WeakPolarHBondContact CA-O 3.08Å; L177-I229 HydrophobicContact CD2-CB 3.8Å; L177-I229 HydrophobicContact CD2-CD1 4.1Å; L177-I229 HydrophobicContact CD2-CG1 4.4Å; L177-I229 HydrophobicContact CD2-CG2 4.29Å; V178-I229 PolarHBondContact N-O 3.08Å; I229-F260 HydrophobicContact CD1-CZ 4.18Å; I229-F260 HydrophobicContact CG1-CZ 4.21Å; I229-F260 HydrophobicContact CG2-CE2 3.79Å; I229-F260 HydrophobicContact CG2-CZ 4.27Å
230Y98.8Very high96.6Very high2 Ų238.2 Ų38.21%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-93.8129.4172.5170.7-99.7000109.9V178 T180 I214 G234 H237 L238 Y251 R252 Y253V178-Y230 HydrophobicContact CG2-CD2 4.22Å; V178-Y230 CarbonylContact O-C 3.41Å; V178-Y230 VanDerWaalsContact O-CA 3.32Å; V178-Y230 WeakPolarHBondContact O-CA 3.3Å; T180-Y230 HydrophobicContact CG2-CE2 4.43Å; I214-Y230 HydrophobicContact CD1-CD2 3.8Å; I214-Y230 HydrophobicContact CD1-CE2 4.05Å; I214-Y230 HydrophobicContact CG1-CD2 4.49Å; I214-Y230 HydrophobicContact CG1-CE2 4.4Å; Y230-G234 WeakPolarHBondContact CE1-O 3.43Å; Y230-G234 PolarHBondContact OH-O 3.5Å; Y230-H237 HydrophobicContact CE2-CB 3.91Å; Y230-L238 HydrophobicContact CD1-CB 3.81Å; Y230-L238 HydrophobicContact CD1-CD2 4.38Å; Y230-L238 HydrophobicContact CD1-CG 4.5Å; Y230-L238 HydrophobicContact CD2-CB 4.33Å; Y230-L238 HydrophobicContact CE1-CB 4.14Å; Y230-L238 HydrophobicContact CG-CB 3.9Å; Y230-L238 HydrophobicContact CG-CD1 4.27Å; Y230-Y251 PolarHBondContact N-O 3.22Å; Y230-R252 HydrophobicContact CD1-CG 4.09Å; Y230-R252 CarbonylContact O-C 3.57Å; Y230-R252 WeakPolarHBondContact O-CA 3.38Å; Y230-Y253 PolarHBondContact O-N 3.02Å
231V98.7Very high96.7Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-99.6118.6172.5175.90000108.7I156 L161 V178 S179 F183 L187 Y253I156-V231 HydrophobicContact CD1-CG1 3.73Å; L161-V231 HydrophobicContact CD1-CG2 4.21Å; L161-V231 HydrophobicContact CD2-CG2 4Å; V178-V231 PolarHBondContact O-N 3.31Å; S179-V231 PolarHBondContact OG-O 3.32Å; S179-V231 VanDerWaalsContact OG-O 3.09Å; F183-V231 HydrophobicContact CB-CG1 4.01Å; F183-V231 HydrophobicContact CG-CG1 4.21Å; L187-V231 HydrophobicContact CD2-CB 3.91Å; L187-V231 HydrophobicContact CD2-CG2 3.55Å; V231-Y253 WeakPolarHBondContact CA-O 3.48Å; V231-Y253 HydrophobicContact CG1-CD1 4.22Å; V231-Y253 HydrophobicContact CG2-CD1 4.47Å
232G97.5Very high96.9Very high0 Ų032.1 Ų32.10%017%0.174CC..SBendtrans151.9163.5-179.500000112.5R252 Y253G232-R252 VanDerWaalsContact O-CG 3.31Å; G232-R252 WeakPolarHBondContact O-CG 3.44Å; G232-Y253 PolarHBondContact N-O 3.09Å
233D94.1Very high97.1Very high83 Ų8331.3 Ų31.344%0.44417%0.169SC..SBendtrans-84.1-40.8-177.360.4-23.6000113.1R252 D254 Y256D233-R252 PolarHBondContact O-NH1 3.49Å; D233-D254 WeakPolarHBondContact CA-OD2 3.21Å; D233-D254 WeakPolarHBondContact CB-OD2 3.49Å; D233-Y256 HydrophobicContact CB-CD2 3.83Å; D233-Y256 HydrophobicContact CB-CE2 3.91Å
234G93.1Very high97.2Very high28 Ų2825 Ų2529%0.28914%0.14SC..  trans-79.9149.9-176.300000114.6Y230Y230-G234 WeakPolarHBondContact CE1-O 3.43Å; Y230-G234 PolarHBondContact OH-O 3.5Å
235R96Very high97.3Very high96 Ų9623.1 Ų23.136%0.36212%0.118SC..Hα-helixtrans-87.7-19.7172.7-63179.681-122.90113.6H237 L238 E239 E263 Y264R235-H237 PolarHBondContact O-N 3.28Å; R235-L238 WeakPolarHBondContact O-CB 3.44Å; R235-L238 PolarHBondContact O-N 2.86Å; R235-E239 HydrophobicContact CB-CG 4.31Å; R235-E239 IonicContact CZ-OE1 2.79Å; R235-E239 IonicContact NH1-OE1 3.09Å; R235-E239 PolarHBondContact NH1-OE1 2.76Å; R235-E239 VanDerWaalsContact NH1-OE1 3.15Å; R235-E239 WeakPolarHBondContact O-CB 3.05Å; R235-E239 WeakPolarHBondContact O-CG 3.48Å; R235-E239 PolarHBondContact O-N 3.19Å; R235-E263 IonicContact CZ-OE2 3.74Å; R235-E263 IonicContact NE-OE2 2.67Å; R235-E263 PolarHBondContact NE-OE2 3.14Å; R235-E263 IonicContact NH2-OE2 3.24Å; R235-E263 PolarHBondContact NH2-OE2 3.49Å; R235-Y264 PolarHBondContact NH2-O 2.97Å
236F96.4Very high97.2Very high74 Ų7423.2 Ų23.233%0.32512%0.119SC..Hα-helixtrans-52.6-51.5-176-178.6-99.1000112.9G216 S240 R347 W352G216-F236 VanDerWaalsContact CA-CE1 3.48Å; F236-S240 PolarHBondContact O-N 2.96Å; F236-R347 HydrophobicContact CE2-CB 3.67Å; F236-R347 HydrophobicContact CE2-CG 3.66Å; F236-R347 HydrophobicContact CZ-CB 3.84Å; F236-R347 HydrophobicContact CZ-CG 3.59Å; F236-R347 PolarHBondContact O-NH1 3.26Å; F236-W352 HydrophobicContact CE2-CH2 4.27Å
237H96.9Very high97.1Very high48 Ų4826 Ų2622%0.22213%0.133CC..Hα-helixtrans-69.8-42.5179.3-65.9108.2000112.6T180 I214 G216 Y230 R235 E239 S240 I241T180-H237 HydrophobicContact CG2-CB 3.96Å; T180-H237 WeakPolarHBondContact CG2-ND1 3.49Å; I214-H237 HydrophobicContact CD1-CB 4.31Å; I214-H237 WeakPolarHBondContact CD1-O 3.31Å; I214-H237 HydrophobicContact CG1-CB 4.26Å; G216-H237 PolarHBondContact N-CD2 2.8Å; G216-H237 VanDerWaalsContact N-CD2 3.33Å; Y230-H237 HydrophobicContact CE2-CB 3.91Å; R235-H237 PolarHBondContact O-N 3.28Å; H237-E239 VanDerWaalsContact C-N 3.32Å; H237-E239 PolarHBondContact O-N 2.87Å; H237-S240 VanDerWaalsContact O-CB 3.3Å; H237-S240 WeakPolarHBondContact O-CB 3.47Å; H237-S240 PolarHBondContact O-N 3.41Å; H237-I241 PolarHBondContact O-N 2.95Å
238L98.3Very high97Very high0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-56.1-45174.4167.661.2000112.3Y230 R235 S240 I241 M242 A250 R252 E263Y230-L238 HydrophobicContact CD1-CB 3.81Å; Y230-L238 HydrophobicContact CD1-CD2 4.38Å; Y230-L238 HydrophobicContact CD1-CG 4.5Å; Y230-L238 HydrophobicContact CD2-CB 4.33Å; Y230-L238 HydrophobicContact CE1-CB 4.14Å; Y230-L238 HydrophobicContact CG-CB 3.9Å; Y230-L238 HydrophobicContact CG-CD1 4.27Å; R235-L238 WeakPolarHBondContact O-CB 3.44Å; R235-L238 PolarHBondContact O-N 2.86Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 2.88Å; L238-I241 HydrophobicContact CD1-CG2 4.37Å; L238-I241 WeakPolarHBondContact O-CG2 3.46Å; L238-I241 PolarHBondContact O-N 3.42Å; L238-M242 HydrophobicContact CD1-CG 3.91Å; L238-M242 HydrophobicContact CD1-SD 3.82Å; L238-M242 HydrophobicContact CD2-SD 4.25Å; L238-M242 HydrophobicContact CG-CG 4.29Å; L238-M242 HydrophobicContact CG-SD 3.7Å; L238-M242 VanDerWaalsContact O-CG 3.28Å; L238-M242 WeakPolarHBondContact O-CG 3.42Å; L238-M242 PolarHBondContact O-N 3.22Å; L238-A250 HydrophobicContact CD1-CB 4.08Å; L238-R252 HydrophobicContact CD2-CB 4.05Å; L238-E263 HydrophobicContact CD2-CB 3.84Å; L238-E263 HydrophobicContact CD2-CG 3.6Å
239E97.9Very high97Very high31 Ų3128.3 Ų28.315%0.14515%0.148CC..Hα-helixtrans-61.6-35.4179.7-73.2176168.500111.7R235 H237 I241 M242 I243 Y265 R347R235-E239 HydrophobicContact CB-CG 4.31Å; R235-E239 IonicContact CZ-OE1 2.79Å; R235-E239 IonicContact NH1-OE1 3.09Å; R235-E239 PolarHBondContact NH1-OE1 2.76Å; R235-E239 VanDerWaalsContact NH1-OE1 3.15Å; R235-E239 WeakPolarHBondContact O-CB 3.05Å; R235-E239 WeakPolarHBondContact O-CG 3.48Å; R235-E239 PolarHBondContact O-N 3.19Å; H237-E239 VanDerWaalsContact C-N 3.32Å; H237-E239 PolarHBondContact O-N 2.87Å; E239-I241 PolarHBondContact O-N 2.9Å; E239-M242 PolarHBondContact O-N 2.79Å; E239-I243 WeakPolarHBondContact O-CB 3.31Å; E239-I243 WeakPolarHBondContact O-CD1 3.27Å; E239-I243 WeakPolarHBondContact O-CG1 3.14Å; E239-I243 PolarHBondContact O-N 3.42Å; E239-Y265 HydrophobicContact CB-CD2 4.08Å; E239-Y265 HydrophobicContact CB-CE2 3.93Å; E239-Y265 HydrophobicContact CG-CD2 3.7Å; E239-Y265 HydrophobicContact CG-CE2 3.83Å; E239-R347 IonicContact OE2-CZ 3.44Å; E239-R347 IonicContact OE2-NH2 3Å; E239-R347 PolarHBondContact OE2-NH2 3.44Å
240S97.6Very high97Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-58.3-48.5175.6177.50000112L215 G216 S219 F236 H237 L238 I243 S244 M386L215-S240 VanDerWaalsContact O-CB 3.27Å; L215-S240 WeakPolarHBondContact O-CB 3.48Å; L215-S240 PolarHBondContact O-OG 3.22Å; G216-S240 PolarHBondContact O-OG 3.09Å; S219-S240 WeakPolarHBondContact OG-CB 3.49Å; S219-S240 PolarHBondContact OG-OG 2.93Å; F236-S240 PolarHBondContact O-N 2.96Å; H237-S240 VanDerWaalsContact O-CB 3.3Å; H237-S240 WeakPolarHBondContact O-CB 3.47Å; H237-S240 PolarHBondContact O-N 3.41Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 2.88Å; S240-I243 PolarHBondContact O-N 2.96Å; S240-S244 PolarHBondContact O-N 3.26Å; S240-S244 VanDerWaalsContact O-N 3.14Å; S240-M386 WeakPolarHBondContact OG-CE 3.28Å
241I97.9Very high97Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-73.3-29.3178.3-171.5163.4000112.4V178 I214 S219 P220 V222 L228 H237 L238 E239 S244 N245V178-I241 HydrophobicContact CB-CD1 4.43Å; V178-I241 HydrophobicContact CG1-CD1 3.81Å; V178-I241 HydrophobicContact CG2-CD1 4.17Å; I214-I241 HydrophobicContact CD1-CB 3.95Å; I214-I241 HydrophobicContact CD1-CG2 3.47Å; I214-I241 VanDerWaalsContact CD1-CG2 3.47Å; I214-I241 HydrophobicContact CG2-CD1 4.03Å; S219-I241 PolarHBondContact OG-N 3.33Å; P220-I241 HydrophobicContact CG-CD1 4.21Å; V222-I241 HydrophobicContact CG2-CD1 4.08Å; L228-I241 HydrophobicContact CD1-CD1 3.73Å; L228-I241 HydrophobicContact CD2-CB 4.22Å; L228-I241 HydrophobicContact CD2-CD1 3.78Å; L228-I241 HydrophobicContact CD2-CG1 3.74Å; L228-I241 HydrophobicContact CD2-CG2 3.51Å; L228-I241 HydrophobicContact CG-CD1 4.41Å; H237-I241 PolarHBondContact O-N 2.95Å; L238-I241 HydrophobicContact CD1-CG2 4.37Å; L238-I241 WeakPolarHBondContact O-CG2 3.46Å; L238-I241 PolarHBondContact O-N 3.42Å; E239-I241 PolarHBondContact O-N 2.9Å; I241-S244 PolarHBondContact O-N 3.49Å; I241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; I241-N245 WeakPolarHBondContact O-CB 3.5Å; I241-N245 PolarHBondContact O-N 2.89Å; I241-N245 PolarHBondContact O-ND2 3.18Å
242M98.1Very high97Very high10 Ų1032.5 Ų32.55%0.04917%0.165CC..Hα-helixtrans-64-43.1170.1-67.4173.977.700111.2L238 E239 S244 N245 P246 A250 E263 Y264 H267L238-M242 HydrophobicContact CD1-CG 3.91Å; L238-M242 HydrophobicContact CD1-SD 3.82Å; L238-M242 HydrophobicContact CD2-SD 4.25Å; L238-M242 HydrophobicContact CG-CG 4.29Å; L238-M242 HydrophobicContact CG-SD 3.7Å; L238-M242 VanDerWaalsContact O-CG 3.28Å; L238-M242 WeakPolarHBondContact O-CG 3.42Å; L238-M242 PolarHBondContact O-N 3.22Å; E239-M242 PolarHBondContact O-N 2.79Å; M242-S244 VanDerWaalsContact C-N 3.3Å; M242-S244 PolarHBondContact O-N 2.93Å; M242-N245 CarbonylContact O-C 3.52Å; M242-N245 PolarHBondContact O-N 2.94Å; M242-P246 WeakPolarHBondContact O-CA 3.38Å; M242-P246 VanDerWaalsContact O-N 3.15Å; M242-A250 HydrophobicContact CE-CB 4.06Å; M242-A250 HydrophobicContact CG-CB 3.7Å; M242-A250 HydrophobicContact SD-CB 4.01Å; M242-E263 HydrophobicContact CE-CB 4.3Å; M242-E263 WeakPolarHBondContact CE-O 3.18Å; M242-E263 HydrophobicContact SD-CB 4.3Å; M242-Y264 VanDerWaalsContact CE-C 3.45Å; M242-H267 PolarHBondContact O-CE1 2.83Å
243I97.4Very high97.1Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-58.8-42.3176-69.3161.5000110.9E239 S240 N245 Y265 M270 I350 Y384 M386E239-I243 WeakPolarHBondContact O-CB 3.31Å; E239-I243 WeakPolarHBondContact O-CD1 3.27Å; E239-I243 WeakPolarHBondContact O-CG1 3.14Å; E239-I243 PolarHBondContact O-N 3.42Å; S240-I243 PolarHBondContact O-N 2.96Å; I243-N245 VanDerWaalsContact C-N 3.28Å; I243-N245 PolarHBondContact O-N 3.48Å; I243-Y265 HydrophobicContact CD1-CE1 4.19Å; I243-Y265 HydrophobicContact CD1-CE2 4.46Å; I243-Y265 HydrophobicContact CG1-CD1 4.2Å; I243-Y265 HydrophobicContact CG1-CE1 3.61Å; I243-Y265 HydrophobicContact CG1-CE2 4.47Å; I243-M270 HydrophobicContact CG1-CE 4.25Å; I243-M270 HydrophobicContact CG2-CE 3.99Å; I243-I350 HydrophobicContact CD1-CG2 4.12Å; I243-Y384 HydrophobicContact CG2-CD1 3.87Å; I243-Y384 HydrophobicContact CG2-CG 4.18Å; I243-M386 HydrophobicContact CB-CG 4.07Å; I243-M386 HydrophobicContact CB-SD 4.33Å; I243-M386 HydrophobicContact CD1-CE 4.42Å; I243-M386 HydrophobicContact CD1-SD 4.39Å; I243-M386 HydrophobicContact CG2-CG 3.73Å; I243-M386 HydrophobicContact CG2-SD 3.76Å
244S95.5Very high97.3Very high7 Ų729.1 Ų29.15%0.04915%0.147CC..Hα-helixtrans-69.2-21.9174.4-74.30000114S219 S240 I241 M242 A383 M386S219-S244 PolarHBondContact O-OG 3.42Å; S240-S244 PolarHBondContact O-N 3.26Å; S240-S244 VanDerWaalsContact O-N 3.14Å; I241-S244 PolarHBondContact O-N 3.49Å; M242-S244 VanDerWaalsContact C-N 3.3Å; M242-S244 PolarHBondContact O-N 2.93Å; S244-A383 WeakPolarHBondContact O-CB 3.35Å; S244-M386 WeakPolarHBondContact OG-CB 3.46Å
245N97Very high97.5Very high13 Ų1328.4 Ų28.47%0.0714%0.137CC..  trans-136.161.7-172.9-57.8-81.2000111.9P220 K221 V222 I241 M242 I243 L247 L248P220-N245 PolarHBondContact O-ND2 3.02Å; K221-N245 WeakPolarHBondContact CA-OD1 3.49Å; V222-N245 PolarHBondContact N-OD1 3.01Å; I241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; I241-N245 WeakPolarHBondContact O-CB 3.5Å; I241-N245 PolarHBondContact O-N 2.89Å; I241-N245 PolarHBondContact O-ND2 3.18Å; M242-N245 CarbonylContact O-C 3.52Å; M242-N245 PolarHBondContact O-N 2.94Å; I243-N245 VanDerWaalsContact C-N 3.28Å; I243-N245 PolarHBondContact O-N 3.48Å; N245-L247 PolarHBondContact O-N 3.31Å; N245-L248 HydrophobicContact CB-CB 3.86Å; N245-L248 HydrophobicContact CB-CD2 4.34Å; N245-L248 PolarHBondContact O-N 3.32Å
246P96.6Very high97.4Very high20 Ų2029.3 Ų29.313%0.1314%0.141CC..THydrogen-bonded Turntrans-68.7-13.3-166.930.8-41000115.1M242 H267 L380M242-P246 WeakPolarHBondContact O-CA 3.38Å; M242-P246 VanDerWaalsContact O-N 3.15Å; P246-H267 WeakPolarHBondContact CA-NE2 3.28Å; P246-H267 HydrophobicContact CB-CB 4.49Å; P246-L380 HydrophobicContact CB-CB 4.28Å; P246-L380 HydrophobicContact CB-CD2 4.07Å; P246-L380 HydrophobicContact CG-CB 4.04Å; P246-L380 HydrophobicContact CG-CD2 4.42Å; P246-L380 WeakPolarHBondContact CG-O 3.38Å
247L96Very high97.4Very high128 Ų12830.5 Ų30.567%0.6715%0.151SC*.THydrogen-bonded Turntrans-100.3-10.8176.7-60.5177.7000112.4N245 L380N245-L247 PolarHBondContact O-N 3.31Å; L247-L380 HydrophobicContact CD2-CB 3.83Å; L247-L380 HydrophobicContact CD2-CD1 4.27Å; L247-L380 HydrophobicContact CG-CB 4.22Å
248L97.2Very high97.4Very high31 Ų3132.7 Ų32.716%0.16216%0.16CC..SBendtrans-84.1137.5-176.7-178.656.8000110.4V222 V225 L228 N245 A250V222-L248 HydrophobicContact CB-CD2 4.11Å; V222-L248 HydrophobicContact CG1-CD2 4.45Å; V225-L248 HydrophobicContact CG2-CD1 3.76Å; V225-L248 HydrophobicContact CG2-CD2 3.71Å; V225-L248 HydrophobicContact CG2-CG 4.42Å; L228-L248 HydrophobicContact CB-CD2 3.8Å; L228-L248 HydrophobicContact CB-CG 4.12Å; N245-L248 HydrophobicContact CB-CB 3.86Å; N245-L248 HydrophobicContact CB-CD2 4.34Å; N245-L248 PolarHBondContact O-N 3.32Å; L248-A250 PolarHBondContact O-N 3.43Å; L248-A250 VanDerWaalsContact O-N 3.15Å
249A98.2Very high97.4Very high23 Ų2334.1 Ų34.119%0.1917%0.17CC..EExtended strand (participates in β ladder)trans-73.2107.5-179.100000111D226 A227 L228 R262D226-A249 WeakPolarHBondContact O-CB 3.32Å; A227-A249 CarbonylContact C-O 3.5Å; A227-A249 VanDerWaalsContact CA-O 3.25Å; A227-A249 WeakPolarHBondContact CA-O 3.43Å; A227-A249 HydrophobicContact CB-CB 4.37Å; L228-A249 PolarHBondContact N-O 3.08Å; A249-R262 VanDerWaalsContact CA-CZ 3.44Å; A249-R262 PolarHBondContact O-NH1 3.26Å
250A98.6Very high97.4Very high2 Ų234.3 Ų34.32%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-95.9142.5178.100000115.6L228 L238 M242 L248 R262 E263L228-A250 HydrophobicContact CD2-CB 4.37Å; L228-A250 CarbonylContact O-C 3.53Å; L228-A250 WeakPolarHBondContact O-CA 3.33Å; L238-A250 HydrophobicContact CD1-CB 4.08Å; M242-A250 HydrophobicContact CE-CB 4.06Å; M242-A250 HydrophobicContact CG-CB 3.7Å; M242-A250 HydrophobicContact SD-CB 4.01Å; L248-A250 PolarHBondContact O-N 3.43Å; L248-A250 VanDerWaalsContact O-N 3.15Å; A250-R262 VanDerWaalsContact O-CD 3.25Å; A250-R262 WeakPolarHBondContact O-CD 3.21Å; A250-R262 PolarHBondContact O-NE 3.45Å; A250-R262 PolarHBondContact O-NH1 2.76Å; A250-E263 PolarHBondContact O-N 3.46Å; A250-E263 VanDerWaalsContact O-N 3.07Å
251Y98.7Very high97.5Very high52 Ų5236.4 Ų36.420%0.20418%0.184CC..EExtended strand (participates in β ladder)trans-132.2150.3174.8-66.8-99.8000110.1F169 A227 L228 Y230 F260 T261 R262F169-Y251 HydrophobicContact CE1-CD2 4.19Å; F169-Y251 AromaticContact CE1-CE2 3.63Å; F169-Y251 HydrophobicContact CE1-CE2 3.63Å; F169-Y251 AromaticContact CE1-CZ 3.98Å; F169-Y251 HydrophobicContact CZ-CD1 4.28Å; F169-Y251 AromaticContact CZ-CD2 3.57Å; F169-Y251 HydrophobicContact CZ-CD2 3.57Å; F169-Y251 HydrophobicContact CZ-CE1 4.19Å; F169-Y251 AromaticContact CZ-CE2 3.43Å; F169-Y251 HydrophobicContact CZ-CE2 3.43Å; F169-Y251 VanDerWaalsContact CZ-CE2 3.43Å; F169-Y251 AromaticContact CZ-CG 4Å; F169-Y251 HydrophobicContact CZ-CG 4Å; F169-Y251 AromaticContact CZ-CZ 3.77Å; A227-Y251 HydrophobicContact CB-CD2 4.12Å; A227-Y251 HydrophobicContact CB-CE2 3.94Å; L228-Y251 PolarHBondContact O-N 3.27Å; Y230-Y251 PolarHBondContact N-O 3.22Å; Y251-F260 HydrophobicContact CD1-CD1 4.38Å; Y251-F260 AromaticContact CD1-CE1 3.65Å; Y251-F260 HydrophobicContact CD1-CE1 3.65Å; Y251-F260 HydrophobicContact CD1-CZ 4.05Å; Y251-F260 HydrophobicContact CE1-CE1 4.34Å; Y251-F260 HydrophobicContact CG-CE1 4.08Å; Y251-F260 AromaticContact CG-CZ 3.99Å; Y251-F260 HydrophobicContact CG-CZ 3.99Å; Y251-T261 CarbonylContact C-O 3.53Å; Y251-T261 VanDerWaalsContact CA-O 3.22Å; Y251-T261 WeakPolarHBondContact CA-O 3.32Å; Y251-R262 HydrophobicContact CD1-CB 4.12Å; Y251-R262 VanDerWaalsContact CD2-NH1 3.35Å; Y251-R262 HydrophobicContact CE1-CB 3.9Å; Y251-R262 HydrophobicContact CE1-CG 4.35Å
252R98.6Very high97.5Very high36 Ų3640.4 Ų40.414%0.13620%0.198CC..EExtended strand (participates in β ladder)trans-114.4128.5173.6178.8173.469.8106.823.3109.6Y230 G232 D233 L238 D254 F260 T261 E263Y230-R252 HydrophobicContact CD1-CG 4.09Å; Y230-R252 CarbonylContact O-C 3.57Å; Y230-R252 WeakPolarHBondContact O-CA 3.38Å; G232-R252 VanDerWaalsContact O-CG 3.31Å; G232-R252 WeakPolarHBondContact O-CG 3.44Å; D233-R252 PolarHBondContact O-NH1 3.49Å; L238-R252 HydrophobicContact CD2-CB 4.05Å; R252-D254 IonicContact NH1-OD2 3.7Å; R252-D254 PolarHBondContact NH1-OD2 2.81Å; R252-F260 CarbonylContact O-C 3.44Å; R252-F260 WeakPolarHBondContact O-CA 3.46Å; R252-T261 PolarHBondContact N-O 2.95Å; R252-T261 PolarHBondContact O-N 3.11Å; R252-E263 HydrophobicContact CB-CG 3.7Å; R252-E263 IonicContact NE-OE1 3.12Å; R252-E263 PolarHBondContact NE-OE1 3.34Å
253Y98.7Very high97.5Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-103.9112.5162.2179.6-101.7000108.4I156 D157 H160 L161 Y230 V231 G232 P255 S259 F260I156-Y253 HydrophobicContact CD1-CE1 4.34Å; D157-Y253 PolarHBondContact O-OH 3.21Å; H160-Y253 AromaticContact CE1-CE2 3.88Å; H160-Y253 AromaticContact ND1-CE2 3.38Å; H160-Y253 WeakPolarHBondContact ND1-CE2 3.18Å; H160-Y253 AromaticContact ND1-CZ 3.57Å; H160-Y253 PolarHBondContact ND1-OH 3.11Å; L161-Y253 HydrophobicContact CB-CD1 4.28Å; L161-Y253 HydrophobicContact CB-CE1 3.85Å; L161-Y253 HydrophobicContact CB-CE2 4.3Å; L161-Y253 HydrophobicContact CD1-CD1 3.73Å; L161-Y253 HydrophobicContact CD1-CD2 3.98Å; L161-Y253 HydrophobicContact CD1-CE1 4.2Å; L161-Y253 HydrophobicContact CD1-CE2 4.43Å; L161-Y253 HydrophobicContact CD1-CG 3.59Å; L161-Y253 HydrophobicContact CG-CD1 4.44Å; L161-Y253 HydrophobicContact CG-CE1 4.49Å; L161-Y253 PolarHBondContact N-OH 2.87Å; Y230-Y253 PolarHBondContact O-N 3.02Å; V231-Y253 WeakPolarHBondContact CA-O 3.48Å; V231-Y253 HydrophobicContact CG1-CD1 4.22Å; V231-Y253 HydrophobicContact CG2-CD1 4.47Å; G232-Y253 PolarHBondContact N-O 3.09Å; Y253-P255 HydrophobicContact CD1-CB 4.44Å; Y253-P255 HydrophobicContact CE1-CB 3.99Å; Y253-P255 WeakPolarHBondContact O-CD 3.31Å; Y253-S259 WeakPolarHBondContact CA-O 3.21Å; Y253-F260 HydrophobicContact CD2-CB 4.49Å; Y253-F260 AromaticContact CD2-CD2 3.94Å; Y253-F260 HydrophobicContact CD2-CD2 3.94Å; Y253-F260 HydrophobicContact CG-CD2 4.35Å
254D98.2Very high97.5Very high13 Ų1349 Ų497%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-90.2113.6173.4-174.1-31.7000108.9D233 R252 Y256 D257 K258 S259D233-D254 WeakPolarHBondContact CA-OD2 3.21Å; D233-D254 WeakPolarHBondContact CB-OD2 3.49Å; R252-D254 IonicContact NH1-OD2 3.7Å; R252-D254 PolarHBondContact NH1-OD2 2.81Å; D254-Y256 VanDerWaalsContact C-N 3.27Å; D254-Y256 PolarHBondContact O-N 2.95Å; D254-Y256 PolarHBondContact OD1-N 2.77Å; D254-D257 VanDerWaalsContact CB-OD1 3.27Å; D254-D257 WeakPolarHBondContact CB-OD1 3.48Å; D254-K258 WeakPolarHBondContact O-CA 3.46Å; D254-K258 PolarHBondContact O-N 3.49Å; D254-S259 PolarHBondContact N-O 3.46Å; D254-S259 PolarHBondContact O-N 2.98Å
255P97.2Very high97.6Very high13 Ų1350.6 Ų50.68%0.08424%0.238CC..THydrogen-bonded Turntrans-73-17.9-174.929.3-34.3000113.8I156 F183 Y253I156-P255 HydrophobicContact CB-CB 3.75Å; I156-P255 HydrophobicContact CD1-CB 4.13Å; I156-P255 HydrophobicContact CG2-CB 3.4Å; I156-P255 HydrophobicContact CG2-CG 3.97Å; F183-P255 HydrophobicContact CD1-CG 4.44Å; F183-P255 HydrophobicContact CE1-CG 3.77Å; F183-P255 HydrophobicContact CE2-CG 4.49Å; F183-P255 HydrophobicContact CZ-CG 3.8Å; Y253-P255 HydrophobicContact CD1-CB 4.44Å; Y253-P255 HydrophobicContact CE1-CB 3.99Å; Y253-P255 WeakPolarHBondContact O-CD 3.31Å
256Y95.5Very high97.6Very high114 Ų11454.8 Ų54.845%0.44726%0.26SS..THydrogen-bonded Turntrans-83.4-46.3-175.8-58.7-75.4000111.6Y33 I154 F183 D233 D254Y33-Y256 PolarHBondContact OH-OH 3.4Å; I154-Y256 WeakPolarHBondContact CD1-OH 3.29Å; F183-Y256 HydrophobicContact CZ-CE2 4.2Å; D233-Y256 HydrophobicContact CB-CD2 3.83Å; D233-Y256 HydrophobicContact CB-CE2 3.91Å; D254-Y256 VanDerWaalsContact C-N 3.27Å; D254-Y256 PolarHBondContact O-N 2.95Å; D254-Y256 PolarHBondContact OD1-N 2.77Å
257D96.4Very high97.6Very high100 Ų10054.8 Ų54.854%0.53526%0.258SS..THydrogen-bonded Turntrans-96.4-4.2178.375.34.5000113.5D254 S259D254-D257 VanDerWaalsContact CB-OD1 3.27Å; D254-D257 WeakPolarHBondContact CB-OD1 3.48Å; D257-S259 PolarHBondContact O-N 2.88Å; D257-S259 WeakPolarHBondContact OD1-CB 3.41Å; D257-S259 PolarHBondContact OD1-N 3.43Å; D257-S259 PolarHBondContact OD1-OG 3.38Å; D257-S259 PolarHBondContact OD2-OG 2.96Å
258K97.1Very high97.6Very high93 Ų9356.6 Ų56.640%0.40426%0.261SS..THydrogen-bonded Turntrans61.429.1-179.6-67.1-176.3171.7-168.70113.4D157 H160 D254D157-K258 WeakPolarHBondContact OD2-CE 3.35Å; D157-K258 IonicContact OD2-NZ 3.17Å; D157-K258 PolarHBondContact OD2-NZ 3.11Å; H160-K258 PolarHBondContact CE1-O 3.43Å; H160-K258 VanDerWaalsContact CE1-O 3.23Å; D254-K258 WeakPolarHBondContact O-CA 3.46Å; D254-K258 PolarHBondContact O-N 3.49Å
259S97.9Very high97.6Very high30 Ų3058.3 Ų58.321%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-85143.3175.366.60000112.3Y253 D254 D257Y253-S259 WeakPolarHBondContact CA-O 3.21Å; D254-S259 PolarHBondContact N-O 3.46Å; D254-S259 PolarHBondContact O-N 2.98Å; D257-S259 PolarHBondContact O-N 2.88Å; D257-S259 WeakPolarHBondContact OD1-CB 3.41Å; D257-S259 PolarHBondContact OD1-N 3.43Å; D257-S259 PolarHBondContact OD1-OG 3.38Å; D257-S259 PolarHBondContact OD2-OG 2.96Å
260F98.3Very high97.5Very high36 Ų3657.9 Ų57.916%0.15826%0.262CS..EExtended strand (participates in β ladder)trans-123.2103.7172.4-166.3-105.9000109.6N168 F169 I229 Y251 R252 Y253N168-F260 HydrophobicContact CB-CD1 4.13Å; N168-F260 HydrophobicContact CB-CE1 3.94Å; F169-F260 AromaticContact CE2-CE1 3.66Å; F169-F260 HydrophobicContact CE2-CE1 3.66Å; F169-F260 AromaticContact CE2-CZ 3.64Å; F169-F260 HydrophobicContact CE2-CZ 3.64Å; F169-F260 HydrophobicContact CZ-CE1 4.26Å; F169-F260 HydrophobicContact CZ-CZ 4.23Å; I229-F260 HydrophobicContact CD1-CZ 4.18Å; I229-F260 HydrophobicContact CG1-CZ 4.21Å; I229-F260 HydrophobicContact CG2-CE2 3.79Å; I229-F260 HydrophobicContact CG2-CZ 4.27Å; Y251-F260 HydrophobicContact CD1-CD1 4.38Å; Y251-F260 AromaticContact CD1-CE1 3.65Å; Y251-F260 HydrophobicContact CD1-CE1 3.65Å; Y251-F260 HydrophobicContact CD1-CZ 4.05Å; Y251-F260 HydrophobicContact CE1-CE1 4.34Å; Y251-F260 HydrophobicContact CG-CE1 4.08Å; Y251-F260 AromaticContact CG-CZ 3.99Å; Y251-F260 HydrophobicContact CG-CZ 3.99Å; R252-F260 CarbonylContact O-C 3.44Å; R252-F260 WeakPolarHBondContact O-CA 3.46Å; Y253-F260 HydrophobicContact CD2-CB 4.49Å; Y253-F260 AromaticContact CD2-CD2 3.94Å; Y253-F260 HydrophobicContact CD2-CD2 3.94Å; Y253-F260 HydrophobicContact CG-CD2 4.35Å
261T98.1Very high97.4Very high44 Ų4458.9 Ų58.927%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-117.2145.9-170.254.40000112.4Y251 R252 E263Y251-T261 CarbonylContact C-O 3.53Å; Y251-T261 VanDerWaalsContact CA-O 3.22Å; Y251-T261 WeakPolarHBondContact CA-O 3.32Å; R252-T261 PolarHBondContact N-O 2.95Å; R252-T261 PolarHBondContact O-N 3.11Å; T261-E263 PolarHBondContact OG1-OE1 3.4Å
262R98.3Very high97.3Very high83 Ų8362.1 Ų62.131%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-80.7129.2168.1175.160.4-171.2-168-14.9109.6A249 A250 Y251 Y264A249-R262 VanDerWaalsContact CA-CZ 3.44Å; A249-R262 PolarHBondContact O-NH1 3.26Å; A250-R262 VanDerWaalsContact O-CD 3.25Å; A250-R262 WeakPolarHBondContact O-CD 3.21Å; A250-R262 PolarHBondContact O-NE 3.45Å; A250-R262 PolarHBondContact O-NH1 2.76Å; Y251-R262 HydrophobicContact CD1-CB 4.12Å; Y251-R262 VanDerWaalsContact CD2-NH1 3.35Å; Y251-R262 HydrophobicContact CE1-CB 3.9Å; Y251-R262 HydrophobicContact CE1-CG 4.35Å; R262-Y264 HydrophobicContact CB-CE2 4.42Å; R262-Y264 HydrophobicContact CG-CD2 4.46Å; R262-Y264 HydrophobicContact CG-CE1 4.32Å; R262-Y264 HydrophobicContact CG-CE2 3.61Å; R262-Y264 WeakPolarHBondContact CG-OH 3.25Å
263E98.4Very high97.2Very high20 Ų2063.7 Ų63.79%0.09329%0.29CS..  trans-113.3142.3-172.4-64-72.4158.700111.4R235 L238 M242 A250 R252 T261R235-E263 IonicContact CZ-OE2 3.74Å; R235-E263 IonicContact NE-OE2 2.67Å; R235-E263 PolarHBondContact NE-OE2 3.14Å; R235-E263 IonicContact NH2-OE2 3.24Å; R235-E263 PolarHBondContact NH2-OE2 3.49Å; L238-E263 HydrophobicContact CD2-CB 3.84Å; L238-E263 HydrophobicContact CD2-CG 3.6Å; M242-E263 HydrophobicContact CE-CB 4.3Å; M242-E263 WeakPolarHBondContact CE-O 3.18Å; M242-E263 HydrophobicContact SD-CB 4.3Å; A250-E263 PolarHBondContact O-N 3.46Å; A250-E263 VanDerWaalsContact O-N 3.07Å; R252-E263 HydrophobicContact CB-CG 3.7Å; R252-E263 IonicContact NE-OE1 3.12Å; R252-E263 PolarHBondContact NE-OE1 3.34Å; T261-E263 PolarHBondContact OG1-OE1 3.4Å
264Y98Very high97.2Very high171 Ų17163.9 Ų63.967%0.67129%0.29SS*.  trans-129.2147.7-179.6-58.5-86.1000110.6R235 M242 R262R235-Y264 PolarHBondContact NH2-O 2.97Å; M242-Y264 VanDerWaalsContact CE-C 3.45Å; R262-Y264 HydrophobicContact CB-CE2 4.42Å; R262-Y264 HydrophobicContact CG-CD2 4.46Å; R262-Y264 HydrophobicContact CG-CE1 4.32Å; R262-Y264 HydrophobicContact CG-CE2 3.61Å; R262-Y264 WeakPolarHBondContact CG-OH 3.25Å
265Y97.4Very high97.2Very high41 Ų4165.7 Ų65.716%0.16130%0.298CS..  trans-133132.8176.9-169.9-94.2000109.1E239 I243 H267 M270E239-Y265 HydrophobicContact CB-CD2 4.08Å; E239-Y265 HydrophobicContact CB-CE2 3.93Å; E239-Y265 HydrophobicContact CG-CD2 3.7Å; E239-Y265 HydrophobicContact CG-CE2 3.83Å; I243-Y265 HydrophobicContact CD1-CE1 4.19Å; I243-Y265 HydrophobicContact CD1-CE2 4.46Å; I243-Y265 HydrophobicContact CG1-CD1 4.2Å; I243-Y265 HydrophobicContact CG1-CE1 3.61Å; I243-Y265 HydrophobicContact CG1-CE2 4.47Å; Y265-H267 VanDerWaalsContact C-N 3.25Å; Y265-H267 AromaticContact CD1-CE1 3.54Å; Y265-H267 AromaticContact CD1-ND1 3.51Å; Y265-H267 PolarHBondContact O-CD2 3.12Å; Y265-H267 PolarHBondContact O-N 2.67Å; Y265-M270 HydrophobicContact CE1-CB 3.87Å; Y265-M270 HydrophobicContact CE1-CE 4.23Å; Y265-M270 HydrophobicContact CE1-CG 4.07Å
266D96.9Very high97.2Very high101 Ų10172 Ų7254%0.5432%0.324SS..  trans-8077.4-179.6-164-21.2000110.7K268 E269 M270D266-K268 PolarHBondContact O-N 3.2Å; D266-K268 PolarHBondContact OD1-N 3.38Å; D266-E269 HydrophobicContact CB-CB 4.13Å; D266-E269 PolarHBondContact O-N 3.31Å; D266-E269 WeakPolarHBondContact OD1-CB 3.45Å; D266-E269 PolarHBondContact OD1-N 3.38Å; D266-E269 WeakPolarHBondContact OD2-CB 3.44Å; D266-M270 WeakPolarHBondContact O-CB 3.47Å; D266-M270 PolarHBondContact O-N 3.08Å
267H96.9Very high97.3Very high20 Ų2067.1 Ų67.19%0.09331%0.307CS..Hα-helixtrans-59.7-31.1178.6-63.2-71.5000112.6M242 P246 Y265 R271 L380M242-H267 PolarHBondContact O-CE1 2.83Å; P246-H267 WeakPolarHBondContact CA-NE2 3.28Å; P246-H267 HydrophobicContact CB-CB 4.49Å; Y265-H267 VanDerWaalsContact C-N 3.25Å; Y265-H267 AromaticContact CD1-CE1 3.54Å; Y265-H267 AromaticContact CD1-ND1 3.51Å; Y265-H267 PolarHBondContact O-CD2 3.12Å; Y265-H267 PolarHBondContact O-N 2.67Å; H267-R271 VanDerWaalsContact O-CB 3.25Å; H267-R271 WeakPolarHBondContact O-CB 3.44Å; H267-R271 WeakPolarHBondContact O-CG 3.3Å; H267-R271 PolarHBondContact O-N 3.49Å; H267-L380 HydrophobicContact CB-CD2 3.61Å
268K95.3Very high97.4Very high166 Ų16662.4 Ų62.472%0.72228%0.282SS*.Hα-helixtrans-70.6-47.9-179.1-69.9-178.3-178.8176.60109.9D266 R271 K272D266-K268 PolarHBondContact O-N 3.2Å; D266-K268 PolarHBondContact OD1-N 3.38Å; K268-R271 PolarHBondContact O-N 2.93Å; K268-K272 VanDerWaalsContact O-CB 3.22Å; K268-K272 WeakPolarHBondContact O-CB 3.13Å; K268-K272 PolarHBondContact O-N 3.25Å
269E96.4Very high97.5Very high67 Ų6760.7 Ų60.731%0.31328%0.277SS..Hα-helixtrans-68.8-42.6-179.2-165.666.117400111.6D266 R271 K272 H273D266-E269 HydrophobicContact CB-CB 4.13Å; D266-E269 PolarHBondContact O-N 3.31Å; D266-E269 WeakPolarHBondContact OD1-CB 3.45Å; D266-E269 PolarHBondContact OD1-N 3.38Å; D266-E269 WeakPolarHBondContact OD2-CB 3.44Å; E269-R271 PolarHBondContact O-N 3.09Å; E269-K272 PolarHBondContact O-N 3.26Å; E269-K272 IonicContact OE1-NZ 3.89Å; E269-K272 PolarHBondContact OE1-NZ 3.04Å; E269-K272 VanDerWaalsContact OE1-NZ 3.09Å; E269-K272 WeakPolarHBondContact OE2-CD 3.25Å; E269-K272 IonicContact OE2-NZ 3.92Å; E269-K272 PolarHBondContact OE2-NZ 3.35Å; E269-H273 PolarHBondContact O-N 2.78Å; E269-H273 PolarHBondContact O-ND1 3.19Å; E269-H273 IonicContact OE1-CE1 3.45Å; E269-H273 PolarHBondContact OE1-CE1 3.22Å; E269-H273 IonicContact OE1-NE2 2.71Å; E269-H273 PolarHBondContact OE1-NE2 3.25Å
270M97Very high97.5Very high14 Ų1462.6 Ų62.67%0.06929%0.287CS..Hα-helixtrans-56-55.5172.8-178.5-81.4-76.500110.6I243 Y265 D266 K272 H273 R274 I350 Y384I243-M270 HydrophobicContact CG1-CE 4.25Å; I243-M270 HydrophobicContact CG2-CE 3.99Å; Y265-M270 HydrophobicContact CE1-CB 3.87Å; Y265-M270 HydrophobicContact CE1-CE 4.23Å; Y265-M270 HydrophobicContact CE1-CG 4.07Å; D266-M270 WeakPolarHBondContact O-CB 3.47Å; D266-M270 PolarHBondContact O-N 3.08Å; M270-K272 VanDerWaalsContact C-N 3.29Å; M270-K272 PolarHBondContact O-N 3.18Å; M270-H273 PolarHBondContact O-N 3.09Å; M270-R274 HydrophobicContact CG-CG 4.25Å; M270-R274 VanDerWaalsContact O-CG 3.28Å; M270-R274 WeakPolarHBondContact O-CG 3.46Å; M270-R274 PolarHBondContact O-N 3.4Å; M270-R274 HydrophobicContact SD-CB 4.47Å; M270-R274 HydrophobicContact SD-CG 3.65Å; M270-I350 HydrophobicContact CG-CG2 4.16Å; M270-Y384 HydrophobicContact CE-CG 4.39Å
271R96.2Very high97.5Very high22 Ų2260.9 Ų60.98%0.08328%0.28CS..Hα-helixtrans-62.6-35.3-178-72.7179.3-177.7-148.35.3112.5H267 K268 E269 K275 D379 E382H267-R271 VanDerWaalsContact O-CB 3.25Å; H267-R271 WeakPolarHBondContact O-CB 3.44Å; H267-R271 WeakPolarHBondContact O-CG 3.3Å; H267-R271 PolarHBondContact O-N 3.49Å; K268-R271 PolarHBondContact O-N 2.93Å; E269-R271 PolarHBondContact O-N 3.09Å; R271-K275 WeakPolarHBondContact O-CB 3.22Å; R271-K275 PolarHBondContact O-N 2.98Å; R271-D379 PolarHBondContact NH1-O 3.19Å; R271-E382 PolarHBondContact NH1-O 3.07Å; R271-E382 PolarHBondContact NH2-O 3.09Å
272K96.4Very high97.5Very high121 Ų12163.8 Ų63.853%0.52629%0.286SS..Hα-helixtrans-62-48.9175.3172.4178.4146.8-136.10111.5K268 E269 M270 K276K268-K272 VanDerWaalsContact O-CB 3.22Å; K268-K272 WeakPolarHBondContact O-CB 3.13Å; K268-K272 PolarHBondContact O-N 3.25Å; E269-K272 PolarHBondContact O-N 3.26Å; E269-K272 IonicContact OE1-NZ 3.89Å; E269-K272 PolarHBondContact OE1-NZ 3.04Å; E269-K272 VanDerWaalsContact OE1-NZ 3.09Å; E269-K272 WeakPolarHBondContact OE2-CD 3.25Å; E269-K272 IonicContact OE2-NZ 3.92Å; E269-K272 PolarHBondContact OE2-NZ 3.35Å; M270-K272 VanDerWaalsContact C-N 3.29Å; M270-K272 PolarHBondContact O-N 3.18Å; K272-K276 WeakPolarHBondContact O-CB 3.15Å; K272-K276 PolarHBondContact O-N 3.09Å
273H97.6Very high97.4Very high69 Ų6966.3 Ų66.332%0.31931%0.306SS..Hα-helixtrans-64.1-46.3177.9-70.7145.3000112.3E269 M270 K276 A277 V354E269-H273 PolarHBondContact O-N 2.78Å; E269-H273 PolarHBondContact O-ND1 3.19Å; E269-H273 IonicContact OE1-CE1 3.45Å; E269-H273 PolarHBondContact OE1-CE1 3.22Å; E269-H273 IonicContact OE1-NE2 2.71Å; E269-H273 PolarHBondContact OE1-NE2 3.25Å; M270-H273 PolarHBondContact O-N 3.09Å; H273-K276 PolarHBondContact O-N 3.28Å; H273-A277 PolarHBondContact O-N 3.43Å; H273-V354 HydrophobicContact CB-CG1 3.97Å
274R97.9Very high97.4Very high4 Ų465.7 Ų65.72%0.01530%0.304CS..Hα-helixtrans-64.3-42.1179.4-62.3-36.7-61155.39.2112.1M270 K276 A277 V278 S349 L360 E365 W376M270-R274 HydrophobicContact CG-CG 4.25Å; M270-R274 VanDerWaalsContact O-CG 3.28Å; M270-R274 WeakPolarHBondContact O-CG 3.46Å; M270-R274 PolarHBondContact O-N 3.4Å; M270-R274 HydrophobicContact SD-CB 4.47Å; M270-R274 HydrophobicContact SD-CG 3.65Å; R274-K276 PolarHBondContact O-N 3.18Å; R274-A277 WeakPolarHBondContact O-CB 3.3Å; R274-A277 PolarHBondContact O-N 3.25Å; R274-V278 WeakPolarHBondContact O-CG2 3.33Å; R274-V278 PolarHBondContact O-N 2.68Å; R274-S349 PolarHBondContact NH1-O 3.43Å; R274-L360 PolarHBondContact NH1-O 3.17Å; R274-L360 PolarHBondContact NH2-O 3Å; R274-E365 WeakPolarHBondContact CB-OE1 3.36Å; R274-E365 IonicContact CZ-OE1 3.75Å; R274-E365 VanDerWaalsContact CZ-OE1 3.26Å; R274-E365 IonicContact CZ-OE2 2.71Å; R274-E365 IonicContact NE-OE1 3.15Å; R274-E365 PolarHBondContact NE-OE1 3.06Å; R274-E365 IonicContact NE-OE2 2.92Å; R274-E365 IonicContact NH2-OE1 2.81Å; R274-E365 PolarHBondContact NH2-OE1 3.15Å; R274-E365 IonicContact NH2-OE2 3.05Å; R274-E365 PolarHBondContact NH2-OE2 3.28Å; R274-W376 HydrophobicContact CB-CH2 3.69Å; R274-W376 HydrophobicContact CB-CZ2 4.38Å
275K97.2Very high97.4Very high51 Ų5161.3 Ų61.322%0.22229%0.294CS..Hα-helixtrans-62.4-43.1175.2-176.352173149.40112.1R271 A277 V278 D279 W376R271-K275 WeakPolarHBondContact O-CB 3.22Å; R271-K275 PolarHBondContact O-N 2.98Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 3.18Å; K275-V278 PolarHBondContact O-N 3.04Å; K275-D279 WeakPolarHBondContact CD-OD2 3.44Å; K275-D279 WeakPolarHBondContact CE-OD1 3.48Å; K275-D279 WeakPolarHBondContact CE-OD2 3.47Å; K275-D279 WeakPolarHBondContact CG-OD2 3.27Å; K275-D279 VanDerWaalsContact NZ-CG 3.33Å; K275-D279 IonicContact NZ-OD1 2.75Å; K275-D279 PolarHBondContact NZ-OD1 3.18Å; K275-D279 IonicContact NZ-OD2 3.34Å; K275-D279 PolarHBondContact NZ-OD2 2.87Å; K275-D279 WeakPolarHBondContact O-CB 3.26Å; K275-D279 PolarHBondContact O-N 3.26Å; K275-W376 HydrophobicContact CB-CH2 4.39Å; K275-W376 HydrophobicContact CB-CZ2 3.69Å; K275-W376 HydrophobicContact CD-CD2 4.04Å; K275-W376 HydrophobicContact CD-CG 4.21Å; K275-W376 HydrophobicContact CD-CZ2 4.3Å; K275-W376 HydrophobicContact CG-CZ2 4.49Å
276K98Very high97.5Very high145 Ų14562.4 Ų62.463%0.6330%0.303SS*.Hα-helixtrans-58.3-43.5174.6-177.5-176.6177-172.60111.5K272 H273 R274 D279 T280K272-K276 WeakPolarHBondContact O-CB 3.15Å; K272-K276 PolarHBondContact O-N 3.09Å; H273-K276 PolarHBondContact O-N 3.28Å; R274-K276 PolarHBondContact O-N 3.18Å; K276-D279 PolarHBondContact O-N 3.35Å; K276-T280 WeakPolarHBondContact O-CB 3.28Å; K276-T280 PolarHBondContact O-N 2.89Å; K276-T280 PolarHBondContact O-OG1 2.53Å
277A98.5Very high97.5Very high12 Ų1257.7 Ų57.710%0.09928%0.278CS..Hα-helixtrans-61-47.617700000111.8H273 R274 K275 T280 A281 P359 L361H273-A277 PolarHBondContact O-N 3.43Å; R274-A277 WeakPolarHBondContact O-CB 3.3Å; R274-A277 PolarHBondContact O-N 3.25Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 3.18Å; A277-T280 PolarHBondContact O-N 2.9Å; A277-A281 WeakPolarHBondContact O-CB 3.13Å; A277-A281 PolarHBondContact O-N 2.96Å; A277-P359 HydrophobicContact CB-CB 4.12Å; A277-L361 HydrophobicContact CB-CD2 3.81Å
278V98.3Very high97.6Very high0 Ų056.7 Ų56.70%027%0.273CS..Hα-helixtrans-58.9-47.7175.2170.40000111.7R274 K275 T280 A281 R282 L361 E365 V368 A369 W376R274-V278 WeakPolarHBondContact O-CG2 3.33Å; R274-V278 PolarHBondContact O-N 2.68Å; K275-V278 PolarHBondContact O-N 3.04Å; V278-T280 VanDerWaalsContact C-N 3.33Å; V278-T280 PolarHBondContact O-N 3.45Å; V278-A281 PolarHBondContact O-N 2.61Å; V278-R282 WeakPolarHBondContact O-CG 3.36Å; V278-R282 PolarHBondContact O-N 3.38Å; V278-L361 HydrophobicContact CG2-CD2 4.28Å; V278-E365 HydrophobicContact CG2-CB 3.66Å; V278-E365 HydrophobicContact CG2-CG 3.8Å; V278-V368 HydrophobicContact CG1-CB 4.4Å; V278-V368 HydrophobicContact CG1-CG1 3.88Å; V278-A369 HydrophobicContact CG1-CB 4.2Å; V278-W376 HydrophobicContact CG2-CE3 4.39Å; V278-W376 HydrophobicContact CG2-CZ3 3.9Å
279D97.7Very high97.8Very high57 Ų5748.8 Ų48.831%0.30524%0.239SC..Hα-helixtrans-68.1-33.7-177.6-72.1-27.6000112.7K275 K276 R282 N283K275-D279 WeakPolarHBondContact CD-OD2 3.44Å; K275-D279 WeakPolarHBondContact CE-OD1 3.48Å; K275-D279 WeakPolarHBondContact CE-OD2 3.47Å; K275-D279 WeakPolarHBondContact CG-OD2 3.27Å; K275-D279 VanDerWaalsContact NZ-CG 3.33Å; K275-D279 IonicContact NZ-OD1 2.75Å; K275-D279 PolarHBondContact NZ-OD1 3.18Å; K275-D279 IonicContact NZ-OD2 3.34Å; K275-D279 PolarHBondContact NZ-OD2 2.87Å; K275-D279 WeakPolarHBondContact O-CB 3.26Å; K275-D279 PolarHBondContact O-N 3.26Å; K276-D279 PolarHBondContact O-N 3.35Å; D279-R282 IonicContact OD1-CZ 3.37Å; D279-R282 IonicContact OD1-NE 3.21Å; D279-R282 IonicContact OD1-NH1 2.71Å; D279-N283 PolarHBondContact O-ND2 2.96Å
280T98.1Very high97.9Very high70 Ų7045.6 Ų45.643%0.42922%0.224SC..Hα-helixtrans-65.6-45.7172.4-54.10000109.8K276 A277 V278 R282 N283 P359K276-T280 WeakPolarHBondContact O-CB 3.28Å; K276-T280 PolarHBondContact O-N 2.89Å; K276-T280 PolarHBondContact O-OG1 2.53Å; A277-T280 PolarHBondContact O-N 2.9Å; V278-T280 VanDerWaalsContact C-N 3.33Å; V278-T280 PolarHBondContact O-N 3.45Å; T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 2.99Å; T280-N283 PolarHBondContact O-N 2.91Å; T280-P359 HydrophobicContact CG2-CG 3.59Å
281A98.3Very high98Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-67.3-27.3-179.300000113.8A277 V278 N283 A284 F287 A339 L361 A369A277-A281 WeakPolarHBondContact O-CB 3.13Å; A277-A281 PolarHBondContact O-N 2.96Å; V278-A281 PolarHBondContact O-N 2.61Å; A281-N283 PolarHBondContact O-N 2.96Å; A281-N283 VanDerWaalsContact O-N 3.16Å; A281-A284 VanDerWaalsContact O-CB 3.26Å; A281-A284 WeakPolarHBondContact O-CB 3.43Å; A281-A284 PolarHBondContact O-N 3.25Å; A281-F287 HydrophobicContact CB-CE1 4.3Å; A281-F287 VanDerWaalsContact O-CZ 3.28Å; A281-F287 WeakPolarHBondContact O-CZ 3.42Å; A281-A339 HydrophobicContact CB-CB 3.87Å; A281-L361 HydrophobicContact CB-CD1 3.61Å; A281-L361 HydrophobicContact CB-CD2 4.5Å; A281-L361 HydrophobicContact CB-CG 4.34Å; A281-A369 HydrophobicContact CB-CB 4.49Å
282R97.6Very high98Very high106 Ų10645.4 Ų45.440%0.423%0.226SC..Hα-helixtrans-54.6-34.7172.6-76.8174.3175.3-170.8-8.7112.6V278 D279 T280 K315 V368 A369V278-R282 WeakPolarHBondContact O-CG 3.36Å; V278-R282 PolarHBondContact O-N 3.38Å; D279-R282 IonicContact OD1-CZ 3.37Å; D279-R282 IonicContact OD1-NE 3.21Å; D279-R282 IonicContact OD1-NH1 2.71Å; T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 2.99Å; R282-K315 PolarHBondContact O-NZ 3.36Å; R282-V368 PolarHBondContact NH2-O 3.45Å; R282-A369 HydrophobicContact CG-CB 4.06Å
283N97.2Very high97.9Very high136 Ų13642.5 Ų42.573%0.72722%0.218SC*.THydrogen-bonded Turntrans-91.3-6.6-179.7-59.9-56.1000113.6D279 T280 A281D279-N283 PolarHBondContact O-ND2 2.96Å; T280-N283 PolarHBondContact O-N 2.91Å; A281-N283 PolarHBondContact O-N 2.96Å; A281-N283 VanDerWaalsContact O-N 3.16Å
284A98.2Very high97.7Very high7 Ų739.8 Ų39.86%0.05821%0.206CC..  trans-65149.3177.800000111.5A281 F287 K315 D338 A339A281-A284 VanDerWaalsContact O-CB 3.26Å; A281-A284 WeakPolarHBondContact O-CB 3.43Å; A281-A284 PolarHBondContact O-N 3.25Å; A284-F287 HydrophobicContact CB-CD2 4.42Å; A284-F287 HydrophobicContact CB-CE1 4.32Å; A284-F287 HydrophobicContact CB-CE2 3.74Å; A284-F287 HydrophobicContact CB-CZ 3.71Å; A284-K315 VanDerWaalsContact O-CD 3.29Å; A284-K315 WeakPolarHBondContact O-CD 3.23Å; A284-K315 VanDerWaalsContact O-CE 3.26Å; A284-K315 WeakPolarHBondContact O-CE 3.46Å; A284-K315 PolarHBondContact O-NZ 2.69Å; A284-D338 HydrophobicContact CB-CB 3.52Å; A284-A339 HydrophobicContact CB-CB 3.87Å
285V98.2Very high97.4Very high78 Ų7840.2 Ų40.247%0.47321%0.212SC..SBendtrans-107.6-46.8176.8178.60000110.4T316 D338V285-T316 PolarHBondContact O-N 2.82Å; V285-T316 PolarHBondContact O-OG1 2.93Å; V285-D338 PolarHBondContact N-OD2 3.34Å
286N98.6Very high97.1Very high64 Ų6441.5 Ų41.534%0.34222%0.217SC..EExtended strand (participates in β ladder)trans-104.3115.3-177.4-51.9-75.7000110.7T316 Q336 D338N286-T316 WeakPolarHBondContact CA-OG1 3.2Å; N286-T316 PolarHBondContact OD1-OG1 2.74Å; N286-Q336 WeakPolarHBondContact CB-O 3.31Å; N286-D338 PolarHBondContact N-OD2 2.93Å; N286-D338 PolarHBondContact ND2-OD2 2.91Å; N286-D338 WeakPolarHBondContact O-CB 3.45Å; N286-D338 PolarHBondContact O-N 3.18Å
287F98.8Very high96.8Very high2 Ų235 Ų351%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-102.4147.1179.6-75.2-102000112.3A281 A284 L310 K315 T316 Y317 I318 A339 I341 L370A281-F287 HydrophobicContact CB-CE1 4.3Å; A281-F287 VanDerWaalsContact O-CZ 3.28Å; A281-F287 WeakPolarHBondContact O-CZ 3.42Å; A284-F287 HydrophobicContact CB-CD2 4.42Å; A284-F287 HydrophobicContact CB-CE1 4.32Å; A284-F287 HydrophobicContact CB-CE2 3.74Å; A284-F287 HydrophobicContact CB-CZ 3.71Å; F287-L310 HydrophobicContact CB-CD1 4.24Å; F287-L310 HydrophobicContact CB-CD2 3.88Å; F287-L310 HydrophobicContact CD1-CD2 4Å; F287-L310 HydrophobicContact CD2-CD2 3.42Å; F287-L310 VanDerWaalsContact CD2-CD2 3.42Å; F287-L310 HydrophobicContact CE1-CD2 4.35Å; F287-L310 HydrophobicContact CE2-CD2 3.84Å; F287-L310 HydrophobicContact CG-CD2 3.49Å; F287-L310 VanDerWaalsContact CG-CD2 3.49Å; F287-L310 HydrophobicContact CZ-CD2 4.26Å; F287-K315 HydrophobicContact CD2-CB 3.97Å; F287-K315 HydrophobicContact CD2-CG 4.32Å; F287-K315 HydrophobicContact CE2-CB 4.05Å; F287-K315 HydrophobicContact CE2-CD 4.05Å; F287-K315 HydrophobicContact CE2-CG 3.87Å; F287-T316 PolarHBondContact N-O 3.34Å; F287-Y317 CarbonylContact O-C 3.08Å; F287-Y317 WeakPolarHBondContact O-CA 3.4Å; F287-I318 PolarHBondContact O-N 2.85Å; F287-A339 WeakPolarHBondContact CA-O 3.4Å; F287-A339 HydrophobicContact CD1-CB 3.98Å; F287-A339 HydrophobicContact CE1-CB 3.87Å; F287-I341 HydrophobicContact CD1-CD1 3.71Å; F287-I341 HydrophobicContact CD1-CG1 4.03Å; F287-I341 HydrophobicContact CE1-CD1 4.27Å; F287-I341 HydrophobicContact CG-CD1 4.49Å; F287-L370 HydrophobicContact CE2-CD2 4.43Å; F287-L370 HydrophobicContact CZ-CD2 4.09Å
288G98.8Very high96.6Very high0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-108.5118.3164.600000110.4A339 W340 I341G288-A339 PolarHBondContact N-O 2.85Å; G288-W340 CarbonylContact O-C 3.59Å; G288-W340 WeakPolarHBondContact O-CA 3.32Å; G288-I341 PolarHBondContact O-N 2.8Å
289I98.8Very high96.4Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-92.2117.7171.4-52.2172000108.3V303 L306 Q307 L310 Y317 I318 V319 L320 I341 V343I289-V303 HydrophobicContact CG2-CG1 4.13Å; I289-V303 HydrophobicContact CG2-CG2 4.01Å; I289-L306 HydrophobicContact CD1-CB 4.21Å; I289-L306 HydrophobicContact CG2-CD1 4.33Å; I289-Q307 HydrophobicContact CD1-CG 3.74Å; I289-L310 HydrophobicContact CD1-CD1 3.69Å; I289-L310 HydrophobicContact CG1-CD1 3.96Å; I289-Y317 HydrophobicContact CD1-CD2 3.92Å; I289-Y317 HydrophobicContact CD1-CE2 4.48Å; I289-Y317 HydrophobicContact CD1-CG 4.25Å; I289-I318 PolarHBondContact N-O 3.03Å; I289-V319 HydrophobicContact CB-CG2 4.45Å; I289-V319 HydrophobicContact CD1-CG2 4.5Å; I289-V319 CarbonylContact O-C 3.56Å; I289-V319 WeakPolarHBondContact O-CA 3.45Å; I289-L320 PolarHBondContact O-N 2.67Å; I289-I341 CarbonylContact C-O 3.52Å; I289-I341 WeakPolarHBondContact CA-O 3.17Å; I289-V343 HydrophobicContact CG2-CG2 4.21Å
290I98.8Very high96.3Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-93.2121.5174.9-54.1167.9000108.8L320 L322 I325 L330 W340 I341 Q342 V343 L360I290-L320 CarbonylContact C-O 3.57Å; I290-L320 VanDerWaalsContact CA-O 3.25Å; I290-L320 WeakPolarHBondContact CA-O 3.46Å; I290-L322 HydrophobicContact CG2-CB 4.07Å; I290-L322 HydrophobicContact CG2-CD1 4.01Å; I290-L322 HydrophobicContact CG2-CG 4.25Å; I290-I325 HydrophobicContact CB-CD1 4.35Å; I290-I325 HydrophobicContact CD1-CD1 4.27Å; I290-I325 HydrophobicContact CD1-CG2 4.04Å; I290-I325 HydrophobicContact CG2-CD1 3.71Å; I290-I325 HydrophobicContact CG2-CG1 4.06Å; I290-L330 HydrophobicContact CD1-CD1 3.58Å; I290-L330 HydrophobicContact CD1-CD2 3.83Å; I290-L330 HydrophobicContact CD1-CG 4.37Å; I290-W340 HydrophobicContact CD1-CB 4.42Å; I290-W340 HydrophobicContact CD1-CD2 4.23Å; I290-W340 HydrophobicContact CD1-CE3 3.78Å; I290-W340 HydrophobicContact CD1-CZ3 4.41Å; I290-W340 HydrophobicContact CG1-CE3 3.62Å; I290-W340 HydrophobicContact CG1-CZ3 4.02Å; I290-I341 PolarHBondContact N-O 3.35Å; I290-Q342 HydrophobicContact CB-CB 4.22Å; I290-Q342 HydrophobicContact CD1-CB 4.4Å; I290-V343 PolarHBondContact O-N 3.36Å; I290-L360 HydrophobicContact CD1-CD1 4.07Å
291L98.2Very high96.1Very high27 Ų2735 Ų3514%0.14120%0.197CC..EExtended strand (participates in β ladder)trans-97.5113.1168.7176.962.1000109T293 P300 V303 L320 L321 L322L291-T293 PolarHBondContact O-N 3.14Å; L291-P300 HydrophobicContact CD2-CG 4.46Å; L291-V303 HydrophobicContact CB-CG2 4.18Å; L291-V303 HydrophobicContact CD1-CG2 3.84Å; L291-V303 HydrophobicContact CG-CG2 4.46Å; L291-L320 PolarHBondContact N-O 3.12Å; L291-L321 HydrophobicContact CB-CD1 4.43Å; L291-L321 HydrophobicContact CB-CG 4.3Å; L291-L321 HydrophobicContact CD2-CG 4.3Å; L291-L322 PolarHBondContact O-N 3.33Å
292G96.8Very high96.1Very high5 Ų535 Ų355%0.05220%0.197CC..EExtended strand (participates in β ladder)trans-66124177.500000112.1G298 L322 V343G292-G298 VanDerWaalsContact O-CA 3.23Å; G292-G298 WeakPolarHBondContact O-CA 3.14Å; G292-G298 PolarHBondContact O-N 3.34Å; G292-G298 VanDerWaalsContact O-N 3.09Å; G292-L322 CarbonylContact C-O 3.48Å; G292-L322 WeakPolarHBondContact CA-O 3.46Å; G292-V343 PolarHBondContact N-O 3.48Å
293T94.8Very high96.1Very high59 Ų5930.3 Ų30.336%0.36218%0.18SC..  trans-107.30.8-179.564.80000114L291 G295 L321 L322 S323L291-T293 PolarHBondContact O-N 3.14Å; T293-G295 PolarHBondContact O-N 3.11Å; T293-L321 HydrophobicContact CG2-CB 3.83Å; T293-L321 HydrophobicContact CG2-CD2 4.05Å; T293-L321 HydrophobicContact CG2-CG 4Å; T293-L322 PolarHBondContact N-O 2.97Å; T293-L322 PolarHBondContact OG1-O 3.14Å; T293-S323 WeakPolarHBondContact OG1-CA 3.2Å; T293-S323 PolarHBondContact OG1-N 2.93Å; T293-S323 VanDerWaalsContact OG1-N 3.08Å
294L93.5Very high96.1Very high12 Ų1229.7 Ų29.76%0.06317%0.171CC..SBendtrans-73.2114.2171.8-177.565.1000109.2V111 Y113 C117 K296 Q297 S323V111-L294 HydrophobicContact CG2-CD1 4.32Å; V111-L294 HydrophobicContact CG2-CD2 4.04Å; Y113-L294 HydrophobicContact CD2-CD2 3.56Å; Y113-L294 HydrophobicContact CE2-CD2 3.73Å; C117-L294 HydrophobicContact CB-CG 4.32Å; L294-K296 PolarHBondContact O-N 2.94Å; L294-Q297 WeakPolarHBondContact O-CG 3.5Å; L294-Q297 PolarHBondContact O-N 3.09Å; L294-S323 VanDerWaalsContact CB-O 3.3Å; L294-S323 WeakPolarHBondContact CB-O 3.4Å
295G91.6Very high96.1Very high13 Ų1331 Ų3113%0.13418%0.176CC..THydrogen-bonded Turntrans49.4-115.4-166.800000113V118 E119 T293V118-G295 WeakPolarHBondContact O-CA 3.16Å; E119-G295 WeakPolarHBondContact OE2-CA 3.49Å; E119-G295 PolarHBondContact OE2-N 3.15Å; T293-G295 PolarHBondContact O-N 3.11Å
296K89.3Confident96Very high78 Ų7827.2 Ų27.234%0.33915%0.153SC..THydrogen-bonded Turntrans-128.535.2177.2-49.5-80.3-176.21540111.6C116 E120 I140 L142 L294 G298 Y389C116-K296 CarbonylContact O-C 3.55Å; C116-K296 PolarHBondContact O-N 3.3Å; E120-K296 WeakPolarHBondContact OE2-CE 3.38Å; E120-K296 IonicContact OE2-NZ 3.9Å; E120-K296 PolarHBondContact OE2-NZ 3.12Å; I140-K296 HydrophobicContact CD1-CB 3.53Å; I140-K296 HydrophobicContact CD1-CG 3.64Å; L142-K296 HydrophobicContact CD2-CG 4.4Å; L294-K296 PolarHBondContact O-N 2.94Å; K296-G298 PolarHBondContact O-N 2.89Å; K296-Y389 PolarHBondContact O-OH 2.78Å; K296-Y389 VanDerWaalsContact O-OH 3.09Å
297Q92.2Very high96Very high9 Ų926.6 Ų26.64%0.04215%0.148CC..  trans-59.7-38.1172.7-74.3-169.6-0.700112.1C116 C117 L294 A344 Y389C116-Q297 HydrophobicContact CB-CG 3.91Å; C116-Q297 PolarHBondContact O-N 2.79Å; C116-Q297 VanDerWaalsContact SG-CG 3.54Å; C117-Q297 PolarHBondContact SG-NE2 3.47Å; L294-Q297 WeakPolarHBondContact O-CG 3.5Å; L294-Q297 PolarHBondContact O-N 3.09Å; Q297-A344 HydrophobicContact CB-CB 4.31Å; Q297-Y389 WeakPolarHBondContact CA-OH 3.43Å; Q297-Y389 PolarHBondContact O-OH 2.91Å
298G94Very high95.9Very high15 Ų1530.1 Ų30.116%0.15517%0.166CC..  trans-78.2155.9178.600000114.2G292 K296 V343G292-G298 VanDerWaalsContact O-CA 3.23Å; G292-G298 WeakPolarHBondContact O-CA 3.14Å; G292-G298 PolarHBondContact O-N 3.34Å; G292-G298 VanDerWaalsContact O-N 3.09Å; K296-G298 PolarHBondContact O-N 2.89Å; G298-V343 WeakPolarHBondContact CA-O 3.37Å
299S94.9Very high95.9Very high13 Ų1331 Ų319%0.09117%0.171CC..  trans-132.7107176179.60000110.4A301 V302 V303S299-A301 PolarHBondContact O-N 2.99Å; S299-V302 PolarHBondContact O-N 2.9Å; S299-V302 VanDerWaalsContact O-N 3.11Å; S299-V302 PolarHBondContact OG-N 3.32Å; S299-V303 PolarHBondContact O-N 2.92Å
300P95.1Very high95.9Very high93 Ų9331 Ų3160%0.60417%0.171SC*.Hα-helixtrans-56.7-31.9173.5-26.635.3000112.8L291 V303 K304L291-P300 HydrophobicContact CD2-CG 4.46Å; P300-V303 PolarHBondContact O-N 2.83Å; P300-K304 PolarHBondContact O-N 3.27Å
301A95.5Very high95.8Very high18 Ų1836.6 Ų36.615%0.14920%0.197CC..Hα-helixtrans-64.1-45.9175.900000111.8S299 K304 Q305 N404S299-A301 PolarHBondContact O-N 2.99Å; A301-K304 WeakPolarHBondContact O-CB 3.41Å; A301-K304 PolarHBondContact O-N 3.12Å; A301-Q305 WeakPolarHBondContact O-CG 3.46Å; A301-Q305 PolarHBondContact O-N 3.5Å; A301-Q305 VanDerWaalsContact O-N 3.15Å; A301-N404 HydrophobicContact CB-CB 3.78Å
302V97Very high95.8Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-65.5-40.8176.1175.50000111.2S299 K304 Q305 L306 V343 P363 P399S299-V302 PolarHBondContact O-N 2.9Å; S299-V302 VanDerWaalsContact O-N 3.11Å; S299-V302 PolarHBondContact OG-N 3.32Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.37Å; V302-Q305 PolarHBondContact O-N 2.79Å; V302-Q305 VanDerWaalsContact O-N 3.13Å; V302-L306 HydrophobicContact CG1-CD1 4.2Å; V302-L306 WeakPolarHBondContact O-CG 3.14Å; V302-L306 PolarHBondContact O-N 2.55Å; V302-V343 HydrophobicContact CB-CG1 3.87Å; V302-V343 HydrophobicContact CG1-CG1 3.89Å; V302-V343 HydrophobicContact CG1-CG2 4.13Å; V302-P363 HydrophobicContact CG1-CB 3.89Å; V302-P363 HydrophobicContact CG1-CG 4.15Å; V302-P399 HydrophobicContact CG2-CG 4.46Å
303V98Very high95.7Very high8 Ų844.3 Ų44.35%0.04823%0.233CC..Hα-helixtrans-55.2-47.5173.3170.50000110.5I289 L291 S299 P300 Q305 L306 Q307 V319 V343I289-V303 HydrophobicContact CG2-CG1 4.13Å; I289-V303 HydrophobicContact CG2-CG2 4.01Å; L291-V303 HydrophobicContact CB-CG2 4.18Å; L291-V303 HydrophobicContact CD1-CG2 3.84Å; L291-V303 HydrophobicContact CG-CG2 4.46Å; S299-V303 PolarHBondContact O-N 2.92Å; P300-V303 PolarHBondContact O-N 2.83Å; V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 2.87Å; V303-L306 WeakPolarHBondContact O-CB 3.35Å; V303-L306 PolarHBondContact O-N 2.82Å; V303-L306 VanDerWaalsContact O-N 3.09Å; V303-Q307 HydrophobicContact CG1-CG 4.28Å; V303-Q307 WeakPolarHBondContact O-CG 3.49Å; V303-Q307 PolarHBondContact O-N 2.97Å; V303-V319 HydrophobicContact CG1-CG1 4.48Å; V303-V319 HydrophobicContact CG1-CG2 4.44Å; V303-V343 HydrophobicContact CG2-CB 4.09Å; V303-V343 HydrophobicContact CG2-CG1 4.33Å; V303-V343 HydrophobicContact CG2-CG2 3.8Å
304K97.5Very high95.8Very high123 Ų12344.7 Ų44.754%0.53525%0.249SC..Hα-helixtrans-59.3-38.5178-172.2173.2-177.21750112.8P300 A301 V302 I308P300-K304 PolarHBondContact O-N 3.27Å; A301-K304 WeakPolarHBondContact O-CB 3.41Å; A301-K304 PolarHBondContact O-N 3.12Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.37Å; K304-I308 HydrophobicContact CG-CD1 4.45Å; K304-I308 WeakPolarHBondContact O-CD1 3.41Å; K304-I308 VanDerWaalsContact O-CG1 3.31Å; K304-I308 WeakPolarHBondContact O-CG1 3.41Å; K304-I308 PolarHBondContact O-N 2.96Å
305Q96.9Very high96.1Very high33 Ų3346.4 Ų46.415%0.15426%0.256CS..Hα-helixtrans-66.5-40.2175.7-60.3-61.5-53.400112A301 V302 V303 I308 E309 F367 H396 N404A301-Q305 WeakPolarHBondContact O-CG 3.46Å; A301-Q305 PolarHBondContact O-N 3.5Å; A301-Q305 VanDerWaalsContact O-N 3.15Å; V302-Q305 PolarHBondContact O-N 2.79Å; V302-Q305 VanDerWaalsContact O-N 3.13Å; V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 2.87Å; Q305-I308 PolarHBondContact O-N 3.12Å; Q305-E309 PolarHBondContact O-N 2.9Å; Q305-E309 VanDerWaalsContact O-N 3.15Å; Q305-F367 HydrophobicContact CB-CE2 4.47Å; Q305-F367 HydrophobicContact CB-CZ 3.89Å; Q305-H396 HydrophobicContact CG-CB 4.29Å; Q305-N404 VanDerWaalsContact CG-OD1 3.31Å; Q305-N404 WeakPolarHBondContact CG-OD1 3.44Å
306L97.9Very high96.4Very high0 Ų049.2 Ų49.20%027%0.27CS..Hα-helixtrans-65.1-41.3176.4-69.3166.8000112I289 V302 V303 I308 E309 L310 I341 V343 A366 F367I289-L306 HydrophobicContact CD1-CB 4.21Å; I289-L306 HydrophobicContact CG2-CD1 4.33Å; V302-L306 HydrophobicContact CG1-CD1 4.2Å; V302-L306 WeakPolarHBondContact O-CG 3.14Å; V302-L306 PolarHBondContact O-N 2.55Å; V303-L306 WeakPolarHBondContact O-CB 3.35Å; V303-L306 PolarHBondContact O-N 2.82Å; V303-L306 VanDerWaalsContact O-N 3.09Å; L306-I308 VanDerWaalsContact C-N 3.3Å; L306-I308 PolarHBondContact O-N 3.33Å; L306-E309 PolarHBondContact O-N 3.35Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.15Å; L306-L310 PolarHBondContact O-N 3.34Å; L306-I341 HydrophobicContact CD1-CG2 3.61Å; L306-I341 HydrophobicContact CD2-CD1 4.48Å; L306-I341 HydrophobicContact CD2-CG2 4.16Å; L306-V343 HydrophobicContact CD1-CG2 3.49Å; L306-V343 VanDerWaalsContact CD1-CG2 3.49Å; L306-A366 HydrophobicContact CD2-CB 3.74Å; L306-F367 HydrophobicContact CD2-CD2 3.79Å; L306-F367 HydrophobicContact CD2-CE2 3.63Å; L306-F367 HydrophobicContact CG-CE2 4.18Å
307Q98.2Very high96.8Very high50 Ų5048.6 Ų48.623%0.23427%0.266CS..Hα-helixtrans-56.6-45.5174.2-68.4177.6-79.700111.1I289 V303 E309 L310 E311 Y317I289-Q307 HydrophobicContact CD1-CG 3.74Å; V303-Q307 HydrophobicContact CG1-CG 4.28Å; V303-Q307 WeakPolarHBondContact O-CG 3.49Å; V303-Q307 PolarHBondContact O-N 2.97Å; Q307-E309 PolarHBondContact O-N 3.37Å; Q307-L310 PolarHBondContact O-N 3.09Å; Q307-E311 WeakPolarHBondContact O-CB 3.47Å; Q307-E311 VanDerWaalsContact O-CG 3.26Å; Q307-E311 WeakPolarHBondContact O-CG 3.44Å; Q307-E311 PolarHBondContact O-N 2.93Å; Q307-Y317 HydrophobicContact CB-CE1 4.29Å; Q307-Y317 HydrophobicContact CB-CE2 4.31Å; Q307-Y317 HydrophobicContact CG-CD2 4.29Å; Q307-Y317 HydrophobicContact CG-CE1 4.39Å; Q307-Y317 HydrophobicContact CG-CE2 3.57Å; Q307-Y317 VanDerWaalsContact NE2-CE2 3.28Å; Q307-Y317 PolarHBondContact NE2-OH 2.96Å
308I97.2Very high97.1Very high76 Ų7652 Ų5239%0.3928%0.284SS..Hα-helixtrans-59.9-45.9177.3-68.3163.7000111.6K304 Q305 L306 K312K304-I308 HydrophobicContact CG-CD1 4.45Å; K304-I308 WeakPolarHBondContact O-CD1 3.41Å; K304-I308 VanDerWaalsContact O-CG1 3.31Å; K304-I308 WeakPolarHBondContact O-CG1 3.41Å; K304-I308 PolarHBondContact O-N 2.96Å; Q305-I308 PolarHBondContact O-N 3.12Å; L306-I308 VanDerWaalsContact C-N 3.3Å; L306-I308 PolarHBondContact O-N 3.33Å; I308-K312 VanDerWaalsContact O-CB 3.24Å; I308-K312 WeakPolarHBondContact O-CB 3.38Å; I308-K312 PolarHBondContact O-N 3.13Å
309E97.5Very high97.3Very high20 Ų2054.2 Ų54.29%0.09329%0.294CS..Hα-helixtrans-68.7-35.2179.8-67.9-64.9171.400112.6Q305 L306 Q307 K312 S313 F367 L370 N371Q305-E309 PolarHBondContact O-N 2.9Å; Q305-E309 VanDerWaalsContact O-N 3.15Å; L306-E309 PolarHBondContact O-N 3.35Å; Q307-E309 PolarHBondContact O-N 3.37Å; E309-K312 IonicContact OE2-NZ 3.54Å; E309-S313 VanDerWaalsContact O-CB 3.28Å; E309-S313 WeakPolarHBondContact O-CB 2.94Å; E309-S313 PolarHBondContact O-N 2.86Å; E309-S313 PolarHBondContact O-OG 3.41Å; E309-F367 HydrophobicContact CG-CD1 4.16Å; E309-F367 HydrophobicContact CG-CE1 3.61Å; E309-F367 HydrophobicContact CG-CZ 4.08Å; E309-L370 HydrophobicContact CB-CB 4.24Å; E309-L370 HydrophobicContact CB-CD1 4.24Å; E309-N371 PolarHBondContact OE1-ND2 2.93Å; E309-N371 VanDerWaalsContact OE1-ND2 3.17Å
310L98.3Very high97.5Very high0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-66.2-46.5174.7-73.8161.8000111.5F287 I289 L306 Q307 S313 G314 K315 Y317 I341 L370F287-L310 HydrophobicContact CB-CD1 4.24Å; F287-L310 HydrophobicContact CB-CD2 3.88Å; F287-L310 HydrophobicContact CD1-CD2 4Å; F287-L310 HydrophobicContact CD2-CD2 3.42Å; F287-L310 VanDerWaalsContact CD2-CD2 3.42Å; F287-L310 HydrophobicContact CE1-CD2 4.35Å; F287-L310 HydrophobicContact CE2-CD2 3.84Å; F287-L310 HydrophobicContact CG-CD2 3.49Å; F287-L310 VanDerWaalsContact CG-CD2 3.49Å; F287-L310 HydrophobicContact CZ-CD2 4.26Å; I289-L310 HydrophobicContact CD1-CD1 3.69Å; I289-L310 HydrophobicContact CG1-CD1 3.96Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.15Å; L306-L310 PolarHBondContact O-N 3.34Å; Q307-L310 PolarHBondContact O-N 3.09Å; L310-S313 CarbonylContact O-C 3.6Å; L310-S313 PolarHBondContact O-N 2.98Å; L310-S313 VanDerWaalsContact O-N 3.17Å; L310-G314 PolarHBondContact O-N 3.02Å; L310-K315 HydrophobicContact CB-CB 4.36Å; L310-K315 HydrophobicContact CD2-CB 3.76Å; L310-K315 HydrophobicContact CD2-CG 4.25Å; L310-K315 PolarHBondContact O-N 2.91Å; L310-Y317 HydrophobicContact CB-CD1 3.98Å; L310-Y317 HydrophobicContact CD1-CD1 4.18Å; L310-Y317 HydrophobicContact CD1-CG 4.11Å; L310-I341 HydrophobicContact CD1-CD1 4.16Å; L310-L370 HydrophobicContact CD2-CD1 3.66Å; L310-L370 HydrophobicContact CD2-CD2 3.85Å; L310-L370 HydrophobicContact CD2-CG 4.42Å; L310-L370 HydrophobicContact CG-CD1 3.77Å
311E97.8Very high97.6Very high116 Ų11655.8 Ų55.854%0.54230%0.296SS..Hα-helixtrans-61.4-46177-72.7168.3-168.400111.3Q307 S313 G314 Y317Q307-E311 WeakPolarHBondContact O-CB 3.47Å; Q307-E311 VanDerWaalsContact O-CG 3.26Å; Q307-E311 WeakPolarHBondContact O-CG 3.44Å; Q307-E311 PolarHBondContact O-N 2.93Å; E311-S313 PolarHBondContact O-N 3.07Å; E311-G314 PolarHBondContact O-N 3.25Å; E311-G314 VanDerWaalsContact O-N 3.08Å; E311-Y317 HydrophobicContact CG-CE1 3.86Å; E311-Y317 PolarHBondContact OE1-OH 3.28Å
312K97.2Very high97.7Very high150 Ų15055.2 Ų55.265%0.65229%0.29SS*.Hα-helixtrans-60.4-33176.1-178.1-176.6168.5-161.20112.5I308 E309 G314I308-K312 VanDerWaalsContact O-CB 3.24Å; I308-K312 WeakPolarHBondContact O-CB 3.38Å; I308-K312 PolarHBondContact O-N 3.13Å; E309-K312 IonicContact OE2-NZ 3.54Å; K312-G314 VanDerWaalsContact C-N 3.3Å
313S96.4Very high97.5Very high45 Ų4558.1 Ų58.132%0.31531%0.311SS..THydrogen-bonded Turntrans-874.1179.1-56.80000113.5E309 L310 E311 K315 L370E309-S313 VanDerWaalsContact O-CB 3.28Å; E309-S313 WeakPolarHBondContact O-CB 2.94Å; E309-S313 PolarHBondContact O-N 2.86Å; E309-S313 PolarHBondContact O-OG 3.41Å; L310-S313 CarbonylContact O-C 3.6Å; L310-S313 PolarHBondContact O-N 2.98Å; L310-S313 VanDerWaalsContact O-N 3.17Å; E311-S313 PolarHBondContact O-N 3.07Å; S313-K315 PolarHBondContact O-N 2.79Å; S313-L370 PolarHBondContact OG-O 3.4Å
314G96.9Very high97.4Very high66 Ų6661.4 Ų61.468%0.6833%0.325SS*.THydrogen-bonded Turntrans65.224.4-178.100000113.9L310 E311 K312L310-G314 PolarHBondContact O-N 3.02Å; E311-G314 PolarHBondContact O-N 3.25Å; E311-G314 VanDerWaalsContact O-N 3.08Å; K312-G314 VanDerWaalsContact C-N 3.3Å
315K98.1Very high97.4Very high49 Ų4956.3 Ų56.321%0.21330%0.304CS..  trans-93.8146.5178.3-54.1-61.2-171.9171.40110.1R282 A284 F287 L310 S313 L370R282-K315 PolarHBondContact O-NZ 3.36Å; A284-K315 VanDerWaalsContact O-CD 3.29Å; A284-K315 WeakPolarHBondContact O-CD 3.23Å; A284-K315 VanDerWaalsContact O-CE 3.26Å; A284-K315 WeakPolarHBondContact O-CE 3.46Å; A284-K315 PolarHBondContact O-NZ 2.69Å; F287-K315 HydrophobicContact CD2-CB 3.97Å; F287-K315 HydrophobicContact CD2-CG 4.32Å; F287-K315 HydrophobicContact CE2-CB 4.05Å; F287-K315 HydrophobicContact CE2-CD 4.05Å; F287-K315 HydrophobicContact CE2-CG 3.87Å; L310-K315 HydrophobicContact CB-CB 4.36Å; L310-K315 HydrophobicContact CD2-CB 3.76Å; L310-K315 HydrophobicContact CD2-CG 4.25Å; L310-K315 PolarHBondContact O-N 2.91Å; S313-K315 PolarHBondContact O-N 2.79Å; K315-L370 HydrophobicContact CG-CD2 4.28Å
316T98.5Very high97.3Very high71 Ų7158.5 Ų58.544%0.43632%0.316SS..EExtended strand (participates in β ladder)trans-90.9155.4173.652.40000109.8V285 N286 F287V285-T316 PolarHBondContact O-N 2.82Å; V285-T316 PolarHBondContact O-OG1 2.93Å; N286-T316 WeakPolarHBondContact CA-OG1 3.2Å; N286-T316 PolarHBondContact OD1-OG1 2.74Å; F287-T316 PolarHBondContact N-O 3.34Å
317Y98.6Very high97.3Very high65 Ų6560.3 Ų60.326%0.25533%0.328SS..EExtended strand (participates in β ladder)trans-151.5157.3176.766.8-89.7000114.5F287 I289 Q307 L310 E311 V319F287-Y317 CarbonylContact O-C 3.08Å; F287-Y317 WeakPolarHBondContact O-CA 3.4Å; I289-Y317 HydrophobicContact CD1-CD2 3.92Å; I289-Y317 HydrophobicContact CD1-CE2 4.48Å; I289-Y317 HydrophobicContact CD1-CG 4.25Å; Q307-Y317 HydrophobicContact CB-CE1 4.29Å; Q307-Y317 HydrophobicContact CB-CE2 4.31Å; Q307-Y317 HydrophobicContact CG-CD2 4.29Å; Q307-Y317 HydrophobicContact CG-CE1 4.39Å; Q307-Y317 HydrophobicContact CG-CE2 3.57Å; Q307-Y317 VanDerWaalsContact NE2-CE2 3.28Å; Q307-Y317 PolarHBondContact NE2-OH 2.96Å; L310-Y317 HydrophobicContact CB-CD1 3.98Å; L310-Y317 HydrophobicContact CD1-CD1 4.18Å; L310-Y317 HydrophobicContact CD1-CG 4.11Å; E311-Y317 HydrophobicContact CG-CE1 3.86Å; E311-Y317 PolarHBondContact OE1-OH 3.28Å; Y317-V319 HydrophobicContact CD2-CG2 4.17Å; Y317-V319 HydrophobicContact CE2-CG2 4.16Å
318I98.3Very high97.3Very high80 Ų8062.1 Ų62.141%0.4135%0.346SS..EExtended strand (participates in β ladder)trans-116.8155.7163.463.5169000110F287 I289 V337F287-I318 PolarHBondContact O-N 2.85Å; I289-I318 PolarHBondContact N-O 3.03Å; I318-V337 HydrophobicContact CD1-CG2 4.08Å
319V98.5Very high97.3Very high62 Ų6263.2 Ų63.238%0.37635%0.348SS..EExtended strand (participates in β ladder)trans-111.5121.5171.3-176.50000108.8I289 V303 Y317 L321I289-V319 HydrophobicContact CB-CG2 4.45Å; I289-V319 HydrophobicContact CD1-CG2 4.5Å; I289-V319 CarbonylContact O-C 3.56Å; I289-V319 WeakPolarHBondContact O-CA 3.45Å; V303-V319 HydrophobicContact CG1-CG1 4.48Å; V303-V319 HydrophobicContact CG1-CG2 4.44Å; Y317-V319 HydrophobicContact CD2-CG2 4.17Å; Y317-V319 HydrophobicContact CE2-CG2 4.16Å; V319-L321 HydrophobicContact CG1-CD1 4.06Å
320L98.3Very high97.3Very high36 Ų3662.3 Ų62.319%0.18834%0.344CS..EExtended strand (participates in β ladder)trans-115.4127-179.9-177.464.3000109.7I289 I290 L291 L322 L330 F333 W340I289-L320 PolarHBondContact O-N 2.67Å; I290-L320 CarbonylContact C-O 3.57Å; I290-L320 VanDerWaalsContact CA-O 3.25Å; I290-L320 WeakPolarHBondContact CA-O 3.46Å; L291-L320 PolarHBondContact N-O 3.12Å; L320-L322 HydrophobicContact CD2-CD1 3.85Å; L320-L322 HydrophobicContact CD2-CG 4.16Å; L320-L322 HydrophobicContact CG-CD1 4.28Å; L320-L322 HydrophobicContact CG-CD2 4.46Å; L320-L322 HydrophobicContact CG-CG 4.05Å; L320-L330 HydrophobicContact CD2-CD2 4.08Å; L320-F333 HydrophobicContact CD2-CE2 4.23Å; L320-W340 HydrophobicContact CB-CZ3 4.37Å; L320-W340 HydrophobicContact CD2-CH2 3.93Å; L320-W340 HydrophobicContact CD2-CZ3 3.95Å
321L97.8Very high97.3Very high104 Ų10464.1 Ų64.155%0.54536%0.358SS..EExtended strand (participates in β ladder)trans-95.7128.3177.2-81.568.1000109.4L291 T293 V319L291-L321 HydrophobicContact CB-CD1 4.43Å; L291-L321 HydrophobicContact CB-CG 4.3Å; L291-L321 HydrophobicContact CD2-CG 4.3Å; T293-L321 HydrophobicContact CG2-CB 3.83Å; T293-L321 HydrophobicContact CG2-CD2 4.05Å; T293-L321 HydrophobicContact CG2-CG 4Å; V319-L321 HydrophobicContact CG1-CD1 4.06Å
322L96.6Very high97.3Very high6 Ų664.9 Ų64.93%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-142.9135.2180-67.8176.5000111.1I290 L291 G292 T293 L320 K329 L330I290-L322 HydrophobicContact CG2-CB 4.07Å; I290-L322 HydrophobicContact CG2-CD1 4.01Å; I290-L322 HydrophobicContact CG2-CG 4.25Å; L291-L322 PolarHBondContact O-N 3.33Å; G292-L322 CarbonylContact C-O 3.48Å; G292-L322 WeakPolarHBondContact CA-O 3.46Å; T293-L322 PolarHBondContact N-O 2.97Å; T293-L322 PolarHBondContact OG1-O 3.14Å; L320-L322 HydrophobicContact CD2-CD1 3.85Å; L320-L322 HydrophobicContact CD2-CG 4.16Å; L320-L322 HydrophobicContact CG-CD1 4.28Å; L320-L322 HydrophobicContact CG-CD2 4.46Å; L320-L322 HydrophobicContact CG-CG 4.05Å; L322-K329 HydrophobicContact CD2-CD 3.75Å; L322-L330 HydrophobicContact CD1-CD2 3.85Å
323S94.3Very high97.3Very high61 Ų6161.1 Ų61.143%0.42735%0.349SS..SBendtrans-72.2-49.2167.749.30000110.3T293 L294T293-S323 WeakPolarHBondContact OG1-CA 3.2Å; T293-S323 PolarHBondContact OG1-N 2.93Å; T293-S323 VanDerWaalsContact OG1-N 3.08Å; L294-S323 VanDerWaalsContact CB-O 3.3Å; L294-S323 WeakPolarHBondContact CB-O 3.4Å
324E95.2Very high97.4Very high76 Ų7660.9 Ų60.936%0.35534%0.344SS..SBendtrans-121135178.2-63.4-17085.400110.9V111 Y113 I326V111-E324 HydrophobicContact CG2-CG 4.45Å; Y113-E324 PolarHBondContact OH-OE1 3.34Å; Y113-E324 VanDerWaalsContact OH-OE1 3.11Å; E324-I326 HydrophobicContact CB-CD1 4.44Å; E324-I326 HydrophobicContact CB-CG1 4.39Å
325I96.8Very high97.4Very high17 Ų1766.3 Ų66.39%0.08735%0.352CS..  trans-100.5108.6-178.5-53.3-177.3000107.9I290 L330 Q342 A344 L348 F356 L360I290-I325 HydrophobicContact CB-CD1 4.35Å; I290-I325 HydrophobicContact CD1-CD1 4.27Å; I290-I325 HydrophobicContact CD1-CG2 4.04Å; I290-I325 HydrophobicContact CG2-CD1 3.71Å; I290-I325 HydrophobicContact CG2-CG1 4.06Å; I325-L330 HydrophobicContact CG2-CD1 3.92Å; I325-L330 HydrophobicContact CG2-CG 4.44Å; I325-Q342 HydrophobicContact CD1-CB 3.65Å; I325-Q342 HydrophobicContact CD1-CG 4.33Å; I325-A344 HydrophobicContact CD1-CB 4.07Å; I325-L348 HydrophobicContact CB-CD1 4.22Å; I325-L348 HydrophobicContact CD1-CD1 3.88Å; I325-L348 HydrophobicContact CG1-CD1 4.2Å; I325-F356 HydrophobicContact CG2-CE1 3.94Å; I325-F356 HydrophobicContact CG2-CZ 3.98Å; I325-L360 HydrophobicContact CG2-CD2 4.41Å
326I96.2Very high97.4Very high78 Ų7868.9 Ų68.940%0.437%0.365SS..  trans-121.1134.8-172.9-56.6173000109E324 S328 K329 L330E324-I326 HydrophobicContact CB-CD1 4.44Å; E324-I326 HydrophobicContact CB-CG1 4.39Å; I326-S328 WeakPolarHBondContact CG2-OG 3.27Å; I326-S328 PolarHBondContact O-N 3.04Å; I326-K329 HydrophobicContact CB-CB 4.43Å; I326-K329 WeakPolarHBondContact O-CB 3.41Å; I326-K329 PolarHBondContact O-N 3.48Å; I326-K329 VanDerWaalsContact O-N 3.08Å; I326-L330 PolarHBondContact O-N 3.14Å
327P97.7Very high97.4Very high39 Ų3965.7 Ų65.725%0.25335%0.345SS..Hα-helixtrans-52.7-47.6-177.5-29.535.3000114.4K329 L330 A331 E355 F356P327-K329 PolarHBondContact O-N 3.29Å; P327-L330 PolarHBondContact O-N 2.94Å; P327-A331 PolarHBondContact O-N 3.28Å; P327-E355 HydrophobicContact CG-CB 4.08Å; P327-F356 HydrophobicContact CB-CD1 4.15Å; P327-F356 HydrophobicContact CB-CE1 4.19Å; P327-F356 HydrophobicContact CG-CD1 4.22Å; P327-F356 HydrophobicContact CG-CD2 4.47Å; P327-F356 HydrophobicContact CG-CE1 3.92Å; P327-F356 HydrophobicContact CG-CE2 4.17Å; P327-F356 HydrophobicContact CG-CZ 3.88Å
328S97.2Very high97.4Very high87 Ų8765.1 Ų65.161%0.60835%0.346SS*.Hα-helixtrans-61.2-29.1-179.257.70000113.5I326I326-S328 WeakPolarHBondContact CG2-OG 3.27Å; I326-S328 PolarHBondContact O-N 3.04Å
329K97.2Very high97.4Very high99 Ų9961.3 Ų61.343%0.4333%0.327SS..Hα-helixtrans-76.1-38.7178.6-168.3170.1-172177.10111.9L322 I326 P327 L332L322-K329 HydrophobicContact CD2-CD 3.75Å; I326-K329 HydrophobicContact CB-CB 4.43Å; I326-K329 WeakPolarHBondContact O-CB 3.41Å; I326-K329 PolarHBondContact O-N 3.48Å; I326-K329 VanDerWaalsContact O-N 3.08Å; P327-K329 PolarHBondContact O-N 3.29Å; K329-L332 WeakPolarHBondContact O-CB 3.44Å
330L98.1Very high97.4Very high2 Ų258.4 Ų58.41%0.0131%0.309CS..Hα-helixtrans-73.9-32.8177.6-62.2-165.8000112.2I290 L320 L322 I325 I326 P327 L332 F333 W340 F356 L360I290-L330 HydrophobicContact CD1-CD1 3.58Å; I290-L330 HydrophobicContact CD1-CD2 3.83Å; I290-L330 HydrophobicContact CD1-CG 4.37Å; L320-L330 HydrophobicContact CD2-CD2 4.08Å; L322-L330 HydrophobicContact CD1-CD2 3.85Å; I325-L330 HydrophobicContact CG2-CD1 3.92Å; I325-L330 HydrophobicContact CG2-CG 4.44Å; I326-L330 PolarHBondContact O-N 3.14Å; P327-L330 PolarHBondContact O-N 2.94Å; L330-L332 PolarHBondContact O-N 3.38Å; L330-L332 VanDerWaalsContact O-N 3.08Å; L330-F333 PolarHBondContact O-N 3.49Å; L330-W340 HydrophobicContact CB-CZ2 4.11Å; L330-W340 HydrophobicContact CD1-CD2 4.01Å; L330-W340 HydrophobicContact CD1-CG 3.97Å; L330-W340 HydrophobicContact CD2-CD2 4.38Å; L330-W340 HydrophobicContact CD2-CE3 4.43Å; L330-W340 HydrophobicContact CD2-CH2 4.08Å; L330-W340 HydrophobicContact CD2-CZ2 3.98Å; L330-W340 HydrophobicContact CD2-CZ3 4.3Å; L330-W340 HydrophobicContact CG-CZ2 4.47Å; L330-F356 HydrophobicContact CB-CD1 4.38Å; L330-F356 HydrophobicContact CD1-CD1 3.69Å; L330-F356 HydrophobicContact CD1-CE1 3.63Å; L330-F356 HydrophobicContact CG-CD1 4.32Å; L330-F356 HydrophobicContact CG-CE1 4.17Å; L330-L360 HydrophobicContact CD1-CD1 4.27Å
331A97.8Very high97.5Very high37 Ų3756.7 Ų56.731%0.30630%0.3SS..G310 helixtrans-58.3-22.7177.300000113.5P327 F333 D334P327-A331 PolarHBondContact O-N 3.28Å; A331-F333 PolarHBondContact O-N 3.01Å; A331-F333 VanDerWaalsContact O-N 3.14Å; A331-D334 WeakPolarHBondContact O-CB 3.27Å; A331-D334 PolarHBondContact O-N 3.31Å
332L97.9Very high97.5Very high133 Ų13351.8 Ų51.870%0.69627%0.274SS*.G310 helixtrans-62-16.6174.4-62.3175.2000113.7K329 L330K329-L332 WeakPolarHBondContact O-CB 3.44Å; L330-L332 PolarHBondContact O-N 3.38Å; L330-L332 VanDerWaalsContact O-N 3.08Å
333F98Very high97.6Very high70 Ų7051.5 Ų51.531%0.30727%0.273SS..G310 helixtrans-114.414.5-178.7-52.8-89.5000113L320 L330 A331 E335 Q336 V337 W340L320-F333 HydrophobicContact CD2-CE2 4.23Å; L330-F333 PolarHBondContact O-N 3.49Å; A331-F333 PolarHBondContact O-N 3.01Å; A331-F333 VanDerWaalsContact O-N 3.14Å; F333-E335 PolarHBondContact O-N 2.82Å; F333-E335 VanDerWaalsContact O-N 3.12Å; F333-Q336 PolarHBondContact O-N 3.09Å; F333-Q336 PolarHBondContact O-OE1 2.91Å; F333-V337 HydrophobicContact CB-CG2 4.07Å; F333-V337 PolarHBondContact O-N 3.17Å; F333-W340 HydrophobicContact CB-CH2 4.23Å; F333-W340 HydrophobicContact CB-CZ2 3.9Å; F333-W340 HydrophobicContact CD2-CH2 4.07Å; F333-W340 HydrophobicContact CD2-CZ2 4.12Å; F333-W340 HydrophobicContact CG-CH2 4.26Å; F333-W340 HydrophobicContact CG-CZ2 4.3Å
334D97.6Very high97.7Very high40 Ų4048.7 Ų48.721%0.21425%0.253CS..THydrogen-bonded Turntrans-61.1-24.3-173.1-85.3-1.8000114.1A331 T357 K358A331-D334 WeakPolarHBondContact O-CB 3.27Å; A331-D334 PolarHBondContact O-N 3.31Å; D334-T357 PolarHBondContact OD1-OG1 2.93Å; D334-T357 WeakPolarHBondContact OD2-CB 3.35Å; D334-T357 PolarHBondContact OD2-OG1 3.4Å; D334-K358 WeakPolarHBondContact O-CE 3.29Å; D334-K358 PolarHBondContact O-NZ 2.81Å; D334-K358 WeakPolarHBondContact OD1-CG 3.25Å
335E97.7Very high97.8Very high180 Ų18046.3 Ų46.384%0.84125%0.245SC*.THydrogen-bonded Turntrans-78-22.4176.6-66.2-174.9170.800112.9F333F333-E335 PolarHBondContact O-N 2.82Å; F333-E335 VanDerWaalsContact O-N 3.12Å
336Q97.8Very high97.8Very high104 Ų10446.1 Ų46.149%0.48625%0.245SC..THydrogen-bonded Turntrans-110.5-21.7-175.3-57.681.919.200113.6N286 F333N286-Q336 WeakPolarHBondContact CB-O 3.31Å; F333-Q336 PolarHBondContact O-N 3.09Å; F333-Q336 PolarHBondContact O-OE1 2.91Å
337V98.5Very high97.8Very high3 Ų342.5 Ų42.52%0.01823%0.226CC..  trans-116.1124.9-176.3-178.40000110.9I318 F333 A339 W340 K358I318-V337 HydrophobicContact CD1-CG2 4.08Å; F333-V337 HydrophobicContact CB-CG2 4.07Å; F333-V337 PolarHBondContact O-N 3.17Å; V337-A339 WeakPolarHBondContact CG1-O 3.23Å; V337-W340 HydrophobicContact CB-CH2 4.48Å; V337-W340 HydrophobicContact CB-CZ2 3.99Å; V337-W340 HydrophobicContact CG1-CD2 3.85Å; V337-W340 HydrophobicContact CG1-CE3 4.3Å; V337-W340 HydrophobicContact CG1-CG 4.26Å; V337-W340 HydrophobicContact CG1-CH2 4.39Å; V337-W340 HydrophobicContact CG1-CZ2 3.96Å; V337-W340 HydrophobicContact CG2-CH2 3.97Å; V337-W340 HydrophobicContact CG2-CZ2 3.93Å; V337-K358 WeakPolarHBondContact O-CD 3.29Å; V337-K358 VanDerWaalsContact O-CE 3.32Å; V337-K358 WeakPolarHBondContact O-CE 3.23Å; V337-K358 PolarHBondContact O-NZ 3.09Å
338D98.6Very high97.7Very high53 Ų5342.4 Ų42.428%0.28322%0.223SC..SBendtrans-88.4-36-179.8-61.6-39.8000111.8A284 V285 N286 P359A284-D338 HydrophobicContact CB-CB 3.52Å; V285-D338 PolarHBondContact N-OD2 3.34Å; N286-D338 PolarHBondContact N-OD2 2.93Å; N286-D338 PolarHBondContact ND2-OD2 2.91Å; N286-D338 WeakPolarHBondContact O-CB 3.45Å; N286-D338 PolarHBondContact O-N 3.18Å; D338-P359 WeakPolarHBondContact O-CD 3.39Å
339A98.8Very high97.8Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-151.214517900000111.7A281 A284 F287 G288 V337 P359A281-A339 HydrophobicContact CB-CB 3.87Å; A284-A339 HydrophobicContact CB-CB 3.87Å; F287-A339 WeakPolarHBondContact CA-O 3.4Å; F287-A339 HydrophobicContact CD1-CB 3.98Å; F287-A339 HydrophobicContact CE1-CB 3.87Å; G288-A339 PolarHBondContact N-O 2.85Å; V337-A339 WeakPolarHBondContact CG1-O 3.23Å; A339-P359 HydrophobicContact CB-CB 4.38Å
340W98.8Very high97.8Very high2 Ų234.2 Ų34.21%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-104143.1176.7-65.8101.3000111.3G288 I290 L320 L330 F333 V337 P359 L360 L361G288-W340 CarbonylContact O-C 3.59Å; G288-W340 WeakPolarHBondContact O-CA 3.32Å; I290-W340 HydrophobicContact CD1-CB 4.42Å; I290-W340 HydrophobicContact CD1-CD2 4.23Å; I290-W340 HydrophobicContact CD1-CE3 3.78Å; I290-W340 HydrophobicContact CD1-CZ3 4.41Å; I290-W340 HydrophobicContact CG1-CE3 3.62Å; I290-W340 HydrophobicContact CG1-CZ3 4.02Å; L320-W340 HydrophobicContact CB-CZ3 4.37Å; L320-W340 HydrophobicContact CD2-CH2 3.93Å; L320-W340 HydrophobicContact CD2-CZ3 3.95Å; L330-W340 HydrophobicContact CB-CZ2 4.11Å; L330-W340 HydrophobicContact CD1-CD2 4.01Å; L330-W340 HydrophobicContact CD1-CG 3.97Å; L330-W340 HydrophobicContact CD2-CD2 4.38Å; L330-W340 HydrophobicContact CD2-CE3 4.43Å; L330-W340 HydrophobicContact CD2-CH2 4.08Å; L330-W340 HydrophobicContact CD2-CZ2 3.98Å; L330-W340 HydrophobicContact CD2-CZ3 4.3Å; L330-W340 HydrophobicContact CG-CZ2 4.47Å; F333-W340 HydrophobicContact CB-CH2 4.23Å; F333-W340 HydrophobicContact CB-CZ2 3.9Å; F333-W340 HydrophobicContact CD2-CH2 4.07Å; F333-W340 HydrophobicContact CD2-CZ2 4.12Å; F333-W340 HydrophobicContact CG-CH2 4.26Å; F333-W340 HydrophobicContact CG-CZ2 4.3Å; V337-W340 HydrophobicContact CB-CH2 4.48Å; V337-W340 HydrophobicContact CB-CZ2 3.99Å; V337-W340 HydrophobicContact CG1-CD2 3.85Å; V337-W340 HydrophobicContact CG1-CE3 4.3Å; V337-W340 HydrophobicContact CG1-CG 4.26Å; V337-W340 HydrophobicContact CG1-CH2 4.39Å; V337-W340 HydrophobicContact CG1-CZ2 3.96Å; V337-W340 HydrophobicContact CG2-CH2 3.97Å; V337-W340 HydrophobicContact CG2-CZ2 3.93Å; W340-P359 PolarHBondContact N-O 3Å; W340-L360 HydrophobicContact CB-CD1 3.51Å; W340-L360 HydrophobicContact CG-CD1 4.42Å; W340-L361 PolarHBondContact O-N 3.4Å
341I98.8Very high97.7Very high0 Ų036.2 Ų36.20%019%0.188CC..EExtended strand (participates in β ladder)trans-121.5116.2169.2-53.2163.2000106.9F287 G288 I289 I290 L306 L310 A366 L370F287-I341 HydrophobicContact CD1-CD1 3.71Å; F287-I341 HydrophobicContact CD1-CG1 4.03Å; F287-I341 HydrophobicContact CE1-CD1 4.27Å; F287-I341 HydrophobicContact CG-CD1 4.49Å; G288-I341 PolarHBondContact O-N 2.8Å; I289-I341 CarbonylContact C-O 3.52Å; I289-I341 WeakPolarHBondContact CA-O 3.17Å; I290-I341 PolarHBondContact N-O 3.35Å; L306-I341 HydrophobicContact CD1-CG2 3.61Å; L306-I341 HydrophobicContact CD2-CD1 4.48Å; L306-I341 HydrophobicContact CD2-CG2 4.16Å; L310-I341 HydrophobicContact CD1-CD1 4.16Å; I341-A366 HydrophobicContact CB-CB 4.28Å; I341-A366 HydrophobicContact CD1-CB 3.69Å; I341-A366 HydrophobicContact CG1-CB 3.71Å; I341-A366 HydrophobicContact CG2-CB 3.57Å; I341-L370 HydrophobicContact CD1-CD1 4.49Å
342Q98.5Very high97.6Very high0 Ų039.4 Ų39.40%019%0.192CC..EExtended strand (participates in β ladder)trans-98.5127177.164.683.417.600111.6I290 I325 C345 S349 L360 L361 P363I290-Q342 HydrophobicContact CB-CB 4.22Å; I290-Q342 HydrophobicContact CD1-CB 4.4Å; I325-Q342 HydrophobicContact CD1-CB 3.65Å; I325-Q342 HydrophobicContact CD1-CG 4.33Å; Q342-C345 PolarHBondContact NE2-O 2.87Å; Q342-C345 PolarHBondContact OE1-O 2.91Å; Q342-S349 VanDerWaalsContact CG-OG 3.28Å; Q342-S349 WeakPolarHBondContact CG-OG 3.27Å; Q342-S349 PolarHBondContact NE2-OG 2.85Å; Q342-L360 HydrophobicContact CB-CD1 3.98Å; Q342-L360 HydrophobicContact CG-CD1 3.98Å; Q342-L360 HydrophobicContact CG-CD2 4.38Å; Q342-L360 HydrophobicContact CG-CG 4.1Å; Q342-L361 PolarHBondContact N-O 2.93Å; Q342-P363 VanDerWaalsContact O-CD 3.22Å; Q342-P363 WeakPolarHBondContact O-CD 3.32Å; Q342-P363 WeakPolarHBondContact O-CG 3.49Å
343V98.3Very high97.6Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-105.575.3169.9-170.50000106.7I289 I290 G292 G298 V302 V303 L306 P363 Y388I289-V343 HydrophobicContact CG2-CG2 4.21Å; I290-V343 PolarHBondContact O-N 3.36Å; G292-V343 PolarHBondContact N-O 3.48Å; G298-V343 WeakPolarHBondContact CA-O 3.37Å; V302-V343 HydrophobicContact CB-CG1 3.87Å; V302-V343 HydrophobicContact CG1-CG1 3.89Å; V302-V343 HydrophobicContact CG1-CG2 4.13Å; V303-V343 HydrophobicContact CG2-CB 4.09Å; V303-V343 HydrophobicContact CG2-CG1 4.33Å; V303-V343 HydrophobicContact CG2-CG2 3.8Å; L306-V343 HydrophobicContact CD1-CG2 3.49Å; L306-V343 VanDerWaalsContact CD1-CG2 3.49Å; V343-P363 HydrophobicContact CG2-CG 4.16Å; V343-Y388 WeakPolarHBondContact CG1-OH 3.38Å
344A96.6Very high97.5Very high2 Ų234.5 Ų34.52%0.01718%0.175CC..SBendtrans-149-126.7178.400000109.5Q297 I325 P346 Y388Q297-A344 HydrophobicContact CB-CB 4.31Å; I325-A344 HydrophobicContact CD1-CB 4.07Å; A344-P346 WeakPolarHBondContact O-CD 3.13Å; A344-Y388 WeakPolarHBondContact O-CE1 3.37Å; A344-Y388 PolarHBondContact O-OH 3.05Å
345C96.8Very high97.5Very high27 Ų2738.4 Ų38.418%0.18219%0.192CC..  trans-78.4118.9172.5-179.30000111.4Q342 R347 L348Q342-C345 PolarHBondContact NE2-O 2.87Å; Q342-C345 PolarHBondContact OE1-O 2.91Å; C345-R347 PolarHBondContact O-N 2.98Å; C345-R347 VanDerWaalsContact O-N 3.11Å; C345-L348 HydrophobicContact CB-CD1 4.03Å; C345-L348 HydrophobicContact CB-CG 4.08Å; C345-L348 WeakPolarHBondContact O-CB 3.47Å; C345-L348 PolarHBondContact O-N 3.41Å; C345-L348 VanDerWaalsContact O-N 3.13Å
346P96.5Very high97.5Very high12 Ų1230.8 Ų30.88%0.07816%0.156CC..Hα-helixtrans-57.1-29.8179.6-26.334.7000114.4C217 A344 L348 S349 I350 T362 Y388C217-P346 HydrophobicContact CB-CG 3.95Å; A344-P346 WeakPolarHBondContact O-CD 3.13Å; P346-L348 PolarHBondContact O-N 3.15Å; P346-S349 PolarHBondContact O-N 3.36Å; P346-I350 HydrophobicContact CB-CD1 4.45Å; P346-I350 WeakPolarHBondContact O-CG1 3.46Å; P346-I350 PolarHBondContact O-N 3.44Å; P346-T362 HydrophobicContact CB-CG2 4.16Å; P346-T362 WeakPolarHBondContact O-CG2 3.41Å; P346-Y388 HydrophobicContact CG-CD1 3.75Å; P346-Y388 HydrophobicContact CG-CD2 3.86Å; P346-Y388 HydrophobicContact CG-CE1 4.33Å; P346-Y388 HydrophobicContact CG-CE2 4.44Å; P346-Y388 HydrophobicContact CG-CG 3.48Å; P346-Y388 VanDerWaalsContact CG-CG 3.48Å
347R96.5Very high97.5Very high2 Ų230.3 Ų30.31%0.00816%0.16CC..Hα-helixtrans-65.6-25.2-178.8-68.3-69.1-60.6-95.40.6113.3G216 F236 E239 C345 S349 I350 D351 W352G216-R347 WeakPolarHBondContact O-CD 3.26Å; G216-R347 WeakPolarHBondContact O-CG 3.23Å; F236-R347 HydrophobicContact CE2-CB 3.67Å; F236-R347 HydrophobicContact CE2-CG 3.66Å; F236-R347 HydrophobicContact CZ-CB 3.84Å; F236-R347 HydrophobicContact CZ-CG 3.59Å; F236-R347 PolarHBondContact O-NH1 3.26Å; E239-R347 IonicContact OE2-CZ 3.44Å; E239-R347 IonicContact OE2-NH2 3Å; E239-R347 PolarHBondContact OE2-NH2 3.44Å; C345-R347 PolarHBondContact O-N 2.98Å; C345-R347 VanDerWaalsContact O-N 3.11Å; R347-S349 VanDerWaalsContact C-N 3.28Å; R347-S349 PolarHBondContact O-N 2.85Å; R347-I350 PolarHBondContact O-N 3.19Å; R347-D351 IonicContact CZ-OD1 3.12Å; R347-D351 IonicContact CZ-OD2 2.87Å; R347-D351 IonicContact NE-OD1 2.69Å; R347-D351 PolarHBondContact NE-OD1 3.32Å; R347-D351 IonicContact NE-OD2 2.68Å; R347-D351 PolarHBondContact NE-OD2 3.03Å; R347-D351 IonicContact NH2-OD1 2.67Å; R347-D351 PolarHBondContact NH2-OD1 3.12Å; R347-D351 VanDerWaalsContact NH2-OD1 3.12Å; R347-D351 IonicContact NH2-OD2 3.27Å; R347-D351 PolarHBondContact NH2-OD2 3.24Å; R347-D351 PolarHBondContact O-N 3.15Å; R347-W352 HydrophobicContact CB-CZ3 4.15Å; R347-W352 VanDerWaalsContact O-CE3 3.3Å
348L96.9Very high97.5Very high38 Ų3832.7 Ų32.720%0.19917%0.171CC..Hα-helixtrans-54.6-45.5173.3-68.9171.5000111.9I325 C345 P346 W352 G353I325-L348 HydrophobicContact CB-CD1 4.22Å; I325-L348 HydrophobicContact CD1-CD1 3.88Å; I325-L348 HydrophobicContact CG1-CD1 4.2Å; C345-L348 HydrophobicContact CB-CD1 4.03Å; C345-L348 HydrophobicContact CB-CG 4.08Å; C345-L348 WeakPolarHBondContact O-CB 3.47Å; C345-L348 PolarHBondContact O-N 3.41Å; C345-L348 VanDerWaalsContact O-N 3.13Å; P346-L348 PolarHBondContact O-N 3.15Å; L348-W352 HydrophobicContact CD2-CE3 4.19Å; L348-W352 HydrophobicContact CD2-CZ3 4.38Å; L348-W352 CarbonylContact O-C 3.54Å; L348-W352 PolarHBondContact O-N 2.93Å; L348-G353 PolarHBondContact O-N 3.46Å
349S98.1Very high97.5Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-72.7-47.6175-58.90000111.3R274 Q342 P346 R347 D351 G353 L360 L361 T362R274-S349 PolarHBondContact NH1-O 3.43Å; Q342-S349 VanDerWaalsContact CG-OG 3.28Å; Q342-S349 WeakPolarHBondContact CG-OG 3.27Å; Q342-S349 PolarHBondContact NE2-OG 2.85Å; P346-S349 PolarHBondContact O-N 3.36Å; R347-S349 VanDerWaalsContact C-N 3.28Å; R347-S349 PolarHBondContact O-N 2.85Å; S349-D351 PolarHBondContact O-N 3.03Å; S349-G353 VanDerWaalsContact O-CA 3.26Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 2.78Å; S349-G353 VanDerWaalsContact O-N 3.07Å; S349-L360 WeakPolarHBondContact CB-O 3.27Å; S349-L360 PolarHBondContact OG-O 2.81Å; S349-L361 VanDerWaalsContact OG-C 3.23Å; S349-L361 PolarHBondContact OG-O 3.42Å; S349-T362 PolarHBondContact OG-N 3.19Å
350I97.5Very high97.5Very high13 Ų1331.1 Ų31.17%0.06716%0.163CC..Hα-helixtrans-63.4-47-171.7-63.9167.7000111.9I243 M270 P346 R347 T362 Y384 M386I243-I350 HydrophobicContact CD1-CG2 4.12Å; M270-I350 HydrophobicContact CG-CG2 4.16Å; P346-I350 HydrophobicContact CB-CD1 4.45Å; P346-I350 WeakPolarHBondContact O-CG1 3.46Å; P346-I350 PolarHBondContact O-N 3.44Å; R347-I350 PolarHBondContact O-N 3.19Å; I350-T362 HydrophobicContact CG1-CG2 4.24Å; I350-Y384 HydrophobicContact CD1-CE1 3.8Å; I350-Y384 HydrophobicContact CG1-CE1 4.23Å; I350-M386 HydrophobicContact CD1-CE 4.09Å; I350-M386 HydrophobicContact CD1-SD 3.74Å
351D96.2Very high97.5Very high44 Ų4431 Ų3124%0.23516%0.163CC..Hα-helixtrans-93.6-43.8-172.7-51.9-28.7000112.4R347 S349R347-D351 IonicContact CZ-OD1 3.12Å; R347-D351 IonicContact CZ-OD2 2.87Å; R347-D351 IonicContact NE-OD1 2.69Å; R347-D351 PolarHBondContact NE-OD1 3.32Å; R347-D351 IonicContact NE-OD2 2.68Å; R347-D351 PolarHBondContact NE-OD2 3.03Å; R347-D351 IonicContact NH2-OD1 2.67Å; R347-D351 PolarHBondContact NH2-OD1 3.12Å; R347-D351 VanDerWaalsContact NH2-OD1 3.12Å; R347-D351 IonicContact NH2-OD2 3.27Å; R347-D351 PolarHBondContact NH2-OD2 3.24Å; R347-D351 PolarHBondContact O-N 3.15Å; S349-D351 PolarHBondContact O-N 3.03Å
352W95.9Very high97.4Very high105 Ų10531.2 Ų31.240%0.39816%0.164SC..Hα-helixtrans-107.21.4-171.6-58.3-84.3000113.5F236 R347 L348 V354 E355 F356F236-W352 HydrophobicContact CE2-CH2 4.27Å; R347-W352 HydrophobicContact CB-CZ3 4.15Å; R347-W352 VanDerWaalsContact O-CE3 3.3Å; L348-W352 HydrophobicContact CD2-CE3 4.19Å; L348-W352 HydrophobicContact CD2-CZ3 4.38Å; L348-W352 CarbonylContact O-C 3.54Å; L348-W352 PolarHBondContact O-N 2.93Å; W352-V354 PolarHBondContact O-N 2.67Å; W352-E355 WeakPolarHBondContact O-CB 3.5Å; W352-E355 PolarHBondContact O-N 3.15Å; W352-F356 VanDerWaalsContact O-CD2 3.31Å; W352-F356 WeakPolarHBondContact O-CD2 3.43Å; W352-F356 WeakPolarHBondContact O-CE2 3.15Å
353G97Very high97.4Very high8 Ų831.4 Ų31.48%0.08217%0.165CC..G310 helixtrans-60.2-19.9-175.800000114.7L348 S349 E355L348-G353 PolarHBondContact O-N 3.46Å; S349-G353 VanDerWaalsContact O-CA 3.26Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 2.78Å; S349-G353 VanDerWaalsContact O-N 3.07Å; G353-E355 VanDerWaalsContact C-N 3.33Å
354V96.6Very high97.4Very high92 Ų9232 Ų3256%0.55817%0.167SC*.G310 helixtrans-78.3-15.2175.5-63.10000113.7H273 W352 F356H273-V354 HydrophobicContact CB-CG1 3.97Å; W352-V354 PolarHBondContact O-N 2.67Å; V354-F356 VanDerWaalsContact C-N 3.26Å
355E97Very high97.5Very high121 Ų12131.9 Ų31.957%0.56517%0.166SC*.G310 helixtrans-80-10.5176.8-58.9-169.6170.500112.6P327 W352 G353P327-E355 HydrophobicContact CG-CB 4.08Å; W352-E355 WeakPolarHBondContact O-CB 3.5Å; W352-E355 PolarHBondContact O-N 3.15Å; G353-E355 VanDerWaalsContact C-N 3.33Å
356F98Very high97.6Very high20 Ų2030.6 Ų30.69%0.08816%0.158CC..SBendtrans-90.7140.2177.9-63.1-94.6000110.5I325 P327 L330 W352 V354 K358 L360I325-F356 HydrophobicContact CG2-CE1 3.94Å; I325-F356 HydrophobicContact CG2-CZ 3.98Å; P327-F356 HydrophobicContact CB-CD1 4.15Å; P327-F356 HydrophobicContact CB-CE1 4.19Å; P327-F356 HydrophobicContact CG-CD1 4.22Å; P327-F356 HydrophobicContact CG-CD2 4.47Å; P327-F356 HydrophobicContact CG-CE1 3.92Å; P327-F356 HydrophobicContact CG-CE2 4.17Å; P327-F356 HydrophobicContact CG-CZ 3.88Å; L330-F356 HydrophobicContact CB-CD1 4.38Å; L330-F356 HydrophobicContact CD1-CD1 3.69Å; L330-F356 HydrophobicContact CD1-CE1 3.63Å; L330-F356 HydrophobicContact CG-CD1 4.32Å; L330-F356 HydrophobicContact CG-CE1 4.17Å; W352-F356 VanDerWaalsContact O-CD2 3.31Å; W352-F356 WeakPolarHBondContact O-CD2 3.43Å; W352-F356 WeakPolarHBondContact O-CE2 3.15Å; V354-F356 VanDerWaalsContact C-N 3.26Å; F356-K358 VanDerWaalsContact C-N 3.27Å; F356-K358 WeakPolarHBondContact CB-O 3.33Å; F356-K358 PolarHBondContact O-N 2.89Å; F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CD1-CD2 4.33Å; F356-L360 HydrophobicContact CD2-CB 4.16Å; F356-L360 HydrophobicContact CD2-CD2 3.7Å; F356-L360 HydrophobicContact CE1-CD2 4.05Å; F356-L360 HydrophobicContact CE2-CD2 3.4Å; F356-L360 HydrophobicContact CG-CB 4.2Å; F356-L360 HydrophobicContact CG-CD2 4.17Å; F356-L360 HydrophobicContact CZ-CD2 3.58Å
357T97.3Very high97.6Very high95 Ų9530.2 Ų30.258%0.58316%0.155SC*.SBendtrans-66.3-30.9178.248.80000112.5D334D334-T357 PolarHBondContact OD1-OG1 2.93Å; D334-T357 WeakPolarHBondContact OD2-CB 3.35Å; D334-T357 PolarHBondContact OD2-OG1 3.4Å
358K98.2Very high97.7Very high53 Ų5330.2 Ų30.223%0.2316%0.155CC..SBendtrans-111.1153.6175.4-56.9-67.8-177.7152.40110.5D334 V337 F356 L360D334-K358 WeakPolarHBondContact O-CE 3.29Å; D334-K358 PolarHBondContact O-NZ 2.81Å; D334-K358 WeakPolarHBondContact OD1-CG 3.25Å; V337-K358 WeakPolarHBondContact O-CD 3.29Å; V337-K358 VanDerWaalsContact O-CE 3.32Å; V337-K358 WeakPolarHBondContact O-CE 3.23Å; V337-K358 PolarHBondContact O-NZ 3.09Å; F356-K358 VanDerWaalsContact C-N 3.27Å; F356-K358 WeakPolarHBondContact CB-O 3.33Å; F356-K358 PolarHBondContact O-N 2.89Å; K358-L360 PolarHBondContact O-N 3.36Å
359P98.6Very high97.7Very high20 Ų2029.1 Ų29.113%0.1315%0.151CC..  trans-54.7125.1176.1-22.832.5000111.8A277 T280 D338 A339 W340 L361A277-P359 HydrophobicContact CB-CB 4.12Å; T280-P359 HydrophobicContact CG2-CG 3.59Å; D338-P359 WeakPolarHBondContact O-CD 3.39Å; A339-P359 HydrophobicContact CB-CB 4.38Å; W340-P359 PolarHBondContact N-O 3Å; P359-L361 HydrophobicContact CB-CD2 4.44Å
360L98.7Very high97.7Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-107.3107.2171.7-17769.1000109.6R274 I290 I325 L330 W340 Q342 S349 F356 K358R274-L360 PolarHBondContact NH1-O 3.17Å; R274-L360 PolarHBondContact NH2-O 3Å; I290-L360 HydrophobicContact CD1-CD1 4.07Å; I325-L360 HydrophobicContact CG2-CD2 4.41Å; L330-L360 HydrophobicContact CD1-CD1 4.27Å; W340-L360 HydrophobicContact CB-CD1 3.51Å; W340-L360 HydrophobicContact CG-CD1 4.42Å; Q342-L360 HydrophobicContact CB-CD1 3.98Å; Q342-L360 HydrophobicContact CG-CD1 3.98Å; Q342-L360 HydrophobicContact CG-CD2 4.38Å; Q342-L360 HydrophobicContact CG-CG 4.1Å; S349-L360 WeakPolarHBondContact CB-O 3.27Å; S349-L360 PolarHBondContact OG-O 2.81Å; F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CD1-CD2 4.33Å; F356-L360 HydrophobicContact CD2-CB 4.16Å; F356-L360 HydrophobicContact CD2-CD2 3.7Å; F356-L360 HydrophobicContact CE1-CD2 4.05Å; F356-L360 HydrophobicContact CE2-CD2 3.4Å; F356-L360 HydrophobicContact CG-CB 4.2Å; F356-L360 HydrophobicContact CG-CD2 4.17Å; F356-L360 HydrophobicContact CZ-CD2 3.58Å; K358-L360 PolarHBondContact O-N 3.36Å
361L98.8Very high97.5Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-96.9145.7-175.8-54.9-172.4000112.3A277 V278 A281 W340 Q342 S349 P359 E365 A366 A369A277-L361 HydrophobicContact CB-CD2 3.81Å; V278-L361 HydrophobicContact CG2-CD2 4.28Å; A281-L361 HydrophobicContact CB-CD1 3.61Å; A281-L361 HydrophobicContact CB-CD2 4.5Å; A281-L361 HydrophobicContact CB-CG 4.34Å; W340-L361 PolarHBondContact O-N 3.4Å; Q342-L361 PolarHBondContact N-O 2.93Å; S349-L361 VanDerWaalsContact OG-C 3.23Å; S349-L361 PolarHBondContact OG-O 3.42Å; P359-L361 HydrophobicContact CB-CD2 4.44Å; L361-E365 HydrophobicContact CB-CB 4.01Å; L361-E365 HydrophobicContact CD2-CB 4.23Å; L361-E365 HydrophobicContact CG-CB 4.49Å; L361-A366 HydrophobicContact CB-CB 4.49Å; L361-A366 HydrophobicContact CD1-CB 4.24Å; L361-A369 HydrophobicContact CD1-CB 4.43Å
362T98.5Very high97.1Very high4 Ų438 Ų383%0.02519%0.193CC..  trans-68.5164.4157.462.70000110.2P346 S349 I350 Y364 E365 A366P346-T362 HydrophobicContact CB-CG2 4.16Å; P346-T362 WeakPolarHBondContact O-CG2 3.41Å; S349-T362 PolarHBondContact OG-N 3.19Å; I350-T362 HydrophobicContact CG1-CG2 4.24Å; T362-Y364 VanDerWaalsContact C-N 3.31Å; T362-Y364 PolarHBondContact O-N 3.38Å; T362-E365 WeakPolarHBondContact CB-OE2 3.33Å; T362-E365 WeakPolarHBondContact CG2-OE2 3.49Å; T362-E365 PolarHBondContact N-OE2 3.34Å; T362-E365 PolarHBondContact O-N 3.13Å; T362-E365 WeakPolarHBondContact OG1-CB 3.35Å; T362-E365 VanDerWaalsContact OG1-CD 3.27Å; T362-E365 VanDerWaalsContact OG1-CG 3.27Å; T362-E365 WeakPolarHBondContact OG1-CG 3.11Å; T362-E365 PolarHBondContact OG1-N 2.88Å; T362-E365 PolarHBondContact OG1-OE2 2.87Å; T362-A366 PolarHBondContact O-N 2.92Å
363P98.2Very high97Very high3 Ų341.3 Ų41.32%0.01921%0.212CC..Hα-helixtrans-60.6-40174.9-28.641.6000112.2V302 Q342 V343 E365 A366 F367 Y388 W397V302-P363 HydrophobicContact CG1-CB 3.89Å; V302-P363 HydrophobicContact CG1-CG 4.15Å; Q342-P363 VanDerWaalsContact O-CD 3.22Å; Q342-P363 WeakPolarHBondContact O-CD 3.32Å; Q342-P363 WeakPolarHBondContact O-CG 3.49Å; V343-P363 HydrophobicContact CG2-CG 4.16Å; P363-E365 PolarHBondContact O-N 3.19Å; P363-A366 WeakPolarHBondContact O-CB 3.32Å; P363-A366 PolarHBondContact O-N 2.76Å; P363-F367 VanDerWaalsContact O-CD2 3.3Å; P363-F367 WeakPolarHBondContact O-CD2 3.38Å; P363-F367 PolarHBondContact O-N 3.46Å; P363-Y388 HydrophobicContact CG-CE2 4.07Å; P363-W397 HydrophobicContact CB-CB 3.78Å; P363-W397 WeakPolarHBondContact CB-O 3.45Å
364Y97.8Very high96.8Very high12 Ų1241.9 Ų41.95%0.04721%0.214CC..Hα-helixtrans-56.2-49.6175.4164.8-113.7000111.9T362 A366 F367 V368 V374 F375 W376 P377 Y384 P385 W397T362-Y364 VanDerWaalsContact C-N 3.31Å; T362-Y364 PolarHBondContact O-N 3.38Å; Y364-A366 VanDerWaalsContact C-N 3.32Å; Y364-A366 PolarHBondContact O-N 2.81Å; Y364-F367 WeakPolarHBondContact O-CB 3.35Å; Y364-F367 PolarHBondContact O-N 3.17Å; Y364-F367 VanDerWaalsContact O-N 3.14Å; Y364-V368 HydrophobicContact CD2-CG2 4.17Å; Y364-V368 HydrophobicContact CE1-CG2 4.16Å; Y364-V368 HydrophobicContact CE2-CG2 3.61Å; Y364-V368 WeakPolarHBondContact O-CG2 3.45Å; Y364-V368 PolarHBondContact O-N 3.19Å; Y364-V374 HydrophobicContact CD2-CG1 4.3Å; Y364-V374 HydrophobicContact CE2-CG1 3.96Å; Y364-F375 PolarHBondContact OH-O 3.32Å; Y364-W376 HydrophobicContact CE1-CE3 4.47Å; Y364-W376 HydrophobicContact CE1-CZ3 4.44Å; Y364-P377 VanDerWaalsContact OH-CD 3.31Å; Y364-P377 WeakPolarHBondContact OH-CD 3.21Å; Y364-Y384 HydrophobicContact CD1-CE2 4.3Å; Y364-Y384 HydrophobicContact CE1-CD2 4.45Å; Y364-Y384 HydrophobicContact CE1-CE2 4.1Å; Y364-P385 HydrophobicContact CD1-CG 3.41Å; Y364-P385 VanDerWaalsContact CD1-CG 3.41Å; Y364-P385 HydrophobicContact CD2-CG 3.77Å; Y364-P385 VanDerWaalsContact CE1-CD 3.5Å; Y364-P385 HydrophobicContact CE1-CG 3.5Å; Y364-P385 VanDerWaalsContact CE1-CG 3.5Å; Y364-P385 HydrophobicContact CE2-CG 3.87Å; Y364-P385 HydrophobicContact CG-CG 3.54Å; Y364-W397 HydrophobicContact CD2-CD2 4.14Å; Y364-W397 AromaticContact CD2-CE2 3.72Å; Y364-W397 HydrophobicContact CD2-CH2 4.27Å; Y364-W397 AromaticContact CD2-CZ2 3.79Å; Y364-W397 HydrophobicContact CD2-CZ2 3.79Å; Y364-W397 HydrophobicContact CE2-CZ2 4.27Å
365E98.3Very high96.6Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-63.4-37.2179.8-75.8166.5142.200112.8R274 V278 L361 T362 P363 F367 V368 A369 W376 Y384R274-E365 WeakPolarHBondContact CB-OE1 3.36Å; R274-E365 IonicContact CZ-OE1 3.75Å; R274-E365 VanDerWaalsContact CZ-OE1 3.26Å; R274-E365 IonicContact CZ-OE2 2.71Å; R274-E365 IonicContact NE-OE1 3.15Å; R274-E365 PolarHBondContact NE-OE1 3.06Å; R274-E365 IonicContact NE-OE2 2.92Å; R274-E365 IonicContact NH2-OE1 2.81Å; R274-E365 PolarHBondContact NH2-OE1 3.15Å; R274-E365 IonicContact NH2-OE2 3.05Å; R274-E365 PolarHBondContact NH2-OE2 3.28Å; V278-E365 HydrophobicContact CG2-CB 3.66Å; V278-E365 HydrophobicContact CG2-CG 3.8Å; L361-E365 HydrophobicContact CB-CB 4.01Å; L361-E365 HydrophobicContact CD2-CB 4.23Å; L361-E365 HydrophobicContact CG-CB 4.49Å; T362-E365 WeakPolarHBondContact CB-OE2 3.33Å; T362-E365 WeakPolarHBondContact CG2-OE2 3.49Å; T362-E365 PolarHBondContact N-OE2 3.34Å; T362-E365 PolarHBondContact O-N 3.13Å; T362-E365 WeakPolarHBondContact OG1-CB 3.35Å; T362-E365 VanDerWaalsContact OG1-CD 3.27Å; T362-E365 VanDerWaalsContact OG1-CG 3.27Å; T362-E365 WeakPolarHBondContact OG1-CG 3.11Å; T362-E365 PolarHBondContact OG1-N 2.88Å; T362-E365 PolarHBondContact OG1-OE2 2.87Å; P363-E365 PolarHBondContact O-N 3.19Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-V368 PolarHBondContact O-N 2.8Å; E365-A369 PolarHBondContact O-N 3.41Å; E365-W376 HydrophobicContact CG-CZ3 4.1Å; E365-Y384 WeakPolarHBondContact CG-OH 3.43Å; E365-Y384 PolarHBondContact OE1-OH 2.97Å
366A98.4Very high96.5Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-62.7-41.9173.800000111.4L306 I341 L361 T362 P363 Y364 V368 A369 L370L306-A366 HydrophobicContact CD2-CB 3.74Å; I341-A366 HydrophobicContact CB-CB 4.28Å; I341-A366 HydrophobicContact CD1-CB 3.69Å; I341-A366 HydrophobicContact CG1-CB 3.71Å; I341-A366 HydrophobicContact CG2-CB 3.57Å; L361-A366 HydrophobicContact CB-CB 4.49Å; L361-A366 HydrophobicContact CD1-CB 4.24Å; T362-A366 PolarHBondContact O-N 2.92Å; P363-A366 WeakPolarHBondContact O-CB 3.32Å; P363-A366 PolarHBondContact O-N 2.76Å; Y364-A366 VanDerWaalsContact C-N 3.32Å; Y364-A366 PolarHBondContact O-N 2.81Å; A366-V368 PolarHBondContact O-N 3.09Å; A366-A369 WeakPolarHBondContact O-CB 3.49Å; A366-A369 PolarHBondContact O-N 3.02Å; A366-A369 VanDerWaalsContact O-N 3.14Å; A366-L370 WeakPolarHBondContact O-CB 3.17Å; A366-L370 VanDerWaalsContact O-CG 3.26Å; A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 3.4Å
367F97.7Very high96.3Very high4 Ų439.1 Ų39.12%0.01819%0.192CC..Hα-helixtrans-63-39.6173.3-90.7-91.6000112.4Q305 L306 E309 P363 Y364 E365 A369 L370 N371 V374 H396 W397Q305-F367 HydrophobicContact CB-CE2 4.47Å; Q305-F367 HydrophobicContact CB-CZ 3.89Å; L306-F367 HydrophobicContact CD2-CD2 3.79Å; L306-F367 HydrophobicContact CD2-CE2 3.63Å; L306-F367 HydrophobicContact CG-CE2 4.18Å; E309-F367 HydrophobicContact CG-CD1 4.16Å; E309-F367 HydrophobicContact CG-CE1 3.61Å; E309-F367 HydrophobicContact CG-CZ 4.08Å; P363-F367 VanDerWaalsContact O-CD2 3.3Å; P363-F367 WeakPolarHBondContact O-CD2 3.38Å; P363-F367 PolarHBondContact O-N 3.46Å; Y364-F367 WeakPolarHBondContact O-CB 3.35Å; Y364-F367 PolarHBondContact O-N 3.17Å; Y364-F367 VanDerWaalsContact O-N 3.14Å; E365-F367 VanDerWaalsContact C-N 3.33Å; F367-A369 VanDerWaalsContact C-N 3.26Å; F367-A369 PolarHBondContact O-N 3.1Å; F367-L370 PolarHBondContact O-N 3.03Å; F367-N371 WeakPolarHBondContact O-CA 3.25Å; F367-N371 WeakPolarHBondContact O-CB 3.15Å; F367-N371 PolarHBondContact O-N 2.88Å; F367-V374 HydrophobicContact CB-CB 4.43Å; F367-V374 HydrophobicContact CB-CG1 4.24Å; F367-V374 HydrophobicContact CB-CG2 4.14Å; F367-V374 HydrophobicContact CD1-CG2 4.34Å; F367-H396 HydrophobicContact CE1-CB 4.43Å; F367-H396 HydrophobicContact CZ-CB 4.18Å; F367-W397 HydrophobicContact CB-CE3 3.95Å; F367-W397 HydrophobicContact CD1-CE3 4.3Å; F367-W397 HydrophobicContact CD2-CB 3.66Å; F367-W397 HydrophobicContact CD2-CE3 4.31Å; F367-W397 HydrophobicContact CE2-CB 3.97Å; F367-W397 HydrophobicContact CG-CB 4.4Å; F367-W397 AromaticContact CG-CE3 3.93Å; F367-W397 HydrophobicContact CG-CE3 3.93Å
368V97.4Very high96Very high2 Ų244.3 Ų44.31%0.01220%0.201CC..Hα-helixtrans-63.9-31.1172.81750000112.5V278 R282 Y364 E365 A366 V374 W376V278-V368 HydrophobicContact CG1-CB 4.4Å; V278-V368 HydrophobicContact CG1-CG1 3.88Å; R282-V368 PolarHBondContact NH2-O 3.45Å; Y364-V368 HydrophobicContact CD2-CG2 4.17Å; Y364-V368 HydrophobicContact CE1-CG2 4.16Å; Y364-V368 HydrophobicContact CE2-CG2 3.61Å; Y364-V368 WeakPolarHBondContact O-CG2 3.45Å; Y364-V368 PolarHBondContact O-N 3.19Å; E365-V368 PolarHBondContact O-N 2.8Å; A366-V368 PolarHBondContact O-N 3.09Å; V368-V374 HydrophobicContact CG2-CB 4.4Å; V368-V374 HydrophobicContact CG2-CG1 3.71Å; V368-W376 HydrophobicContact CG1-CB 3.95Å; V368-W376 HydrophobicContact CG1-CE3 4.09Å; V368-W376 HydrophobicContact CG2-CE3 4.5Å
369A97.6Very high95.7Very high15 Ų1545.8 Ų45.812%0.12421%0.212CC..Hα-helixtrans-76.8-35.9177.400000112.5V278 A281 R282 L361 E365 A366 F367V278-A369 HydrophobicContact CG1-CB 4.2Å; A281-A369 HydrophobicContact CB-CB 4.49Å; R282-A369 HydrophobicContact CG-CB 4.06Å; L361-A369 HydrophobicContact CD1-CB 4.43Å; E365-A369 PolarHBondContact O-N 3.41Å; A366-A369 WeakPolarHBondContact O-CB 3.49Å; A366-A369 PolarHBondContact O-N 3.02Å; A366-A369 VanDerWaalsContact O-N 3.14Å; F367-A369 VanDerWaalsContact C-N 3.26Å; F367-A369 PolarHBondContact O-N 3.1Å
370L97.1Very high95.4Very high21 Ų2147.1 Ų47.111%0.1122%0.218CC..Hα-helixtrans-102-23.1-170.1-62.3169.5000114.1F287 E309 L310 S313 K315 I341 A366 F367F287-L370 HydrophobicContact CE2-CD2 4.43Å; F287-L370 HydrophobicContact CZ-CD2 4.09Å; E309-L370 HydrophobicContact CB-CB 4.24Å; E309-L370 HydrophobicContact CB-CD1 4.24Å; L310-L370 HydrophobicContact CD2-CD1 3.66Å; L310-L370 HydrophobicContact CD2-CD2 3.85Å; L310-L370 HydrophobicContact CD2-CG 4.42Å; L310-L370 HydrophobicContact CG-CD1 3.77Å; S313-L370 PolarHBondContact OG-O 3.4Å; K315-L370 HydrophobicContact CG-CD2 4.28Å; I341-L370 HydrophobicContact CD1-CD1 4.49Å; A366-L370 WeakPolarHBondContact O-CB 3.17Å; A366-L370 VanDerWaalsContact O-CG 3.26Å; A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 3.4Å; F367-L370 PolarHBondContact O-N 3.03Å
371N94.7Very high94.9Very high21 Ų2150.5 Ų50.511%0.11224%0.241CC..  trans-129.1110.6-173.7-174.2-22.6000111.2E309 F367 Q373 V374E309-N371 PolarHBondContact OE1-ND2 2.93Å; E309-N371 VanDerWaalsContact OE1-ND2 3.17Å; F367-N371 WeakPolarHBondContact O-CA 3.25Å; F367-N371 WeakPolarHBondContact O-CB 3.15Å; F367-N371 PolarHBondContact O-N 2.88Å; N371-Q373 PolarHBondContact O-N 2.75Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.24Å; N371-Q373 PolarHBondContact OD1-N 3.45Å; N371-V374 HydrophobicContact CB-CG2 4.15Å; N371-V374 PolarHBondContact O-N 3.28Å
372E88.4Confident94.6Very high202 Ų20252.2 Ų52.294%0.94425%0.249SC*.THydrogen-bonded Turntrans-61.5-17.1-177.8-61.8-175.2162.600114.4V374E372-V374 VanDerWaalsContact C-N 3.28Å
373Q92.4Very high94.1Very high174 Ų17453.5 Ų53.581%0.81326%0.26SS*.THydrogen-bonded Turntrans-77.9-14.9176.2-58.5-178.8-5.100112.7N371N371-Q373 PolarHBondContact O-N 2.75Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.24Å; N371-Q373 PolarHBondContact OD1-N 3.45Å
374V93.9Very high94Very high20 Ų2053.5 Ų53.512%0.12126%0.26CS..SBendtrans-93.8113.1179.7-172.70000109Y364 F367 V368 N371 E372 W397Y364-V374 HydrophobicContact CD2-CG1 4.3Å; Y364-V374 HydrophobicContact CE2-CG1 3.96Å; F367-V374 HydrophobicContact CB-CB 4.43Å; F367-V374 HydrophobicContact CB-CG1 4.24Å; F367-V374 HydrophobicContact CB-CG2 4.14Å; F367-V374 HydrophobicContact CD1-CG2 4.34Å; V368-V374 HydrophobicContact CG2-CB 4.4Å; V368-V374 HydrophobicContact CG2-CG1 3.71Å; N371-V374 HydrophobicContact CB-CG2 4.15Å; N371-V374 PolarHBondContact O-N 3.28Å; E372-V374 VanDerWaalsContact C-N 3.28Å; V374-W397 HydrophobicContact CB-CZ3 4.46Å; V374-W397 HydrophobicContact CG1-CE3 4.37Å; V374-W397 HydrophobicContact CG1-CH2 3.87Å; V374-W397 HydrophobicContact CG1-CZ3 3.61Å; V374-W397 HydrophobicContact CG2-CZ3 3.93Å
375F92.2Very high93.8Very high131 Ų13153.7 Ų53.758%0.57526%0.263SS*.PPolyproline II helixtrans-79.4145.3-174.880.8-85.1000112Y364Y364-F375 PolarHBondContact OH-O 3.32Å
376W94.9Very high93.6Very high41 Ų4154 Ų5416%0.15526%0.264CS..PPolyproline II helixtrans-89.4139163.8-179.1-95.9000109.5R274 K275 V278 Y364 E365 V368 R378 Y384R274-W376 HydrophobicContact CB-CH2 3.69Å; R274-W376 HydrophobicContact CB-CZ2 4.38Å; K275-W376 HydrophobicContact CB-CH2 4.39Å; K275-W376 HydrophobicContact CB-CZ2 3.69Å; K275-W376 HydrophobicContact CD-CD2 4.04Å; K275-W376 HydrophobicContact CD-CG 4.21Å; K275-W376 HydrophobicContact CD-CZ2 4.3Å; K275-W376 HydrophobicContact CG-CZ2 4.49Å; V278-W376 HydrophobicContact CG2-CE3 4.39Å; V278-W376 HydrophobicContact CG2-CZ3 3.9Å; Y364-W376 HydrophobicContact CE1-CE3 4.47Å; Y364-W376 HydrophobicContact CE1-CZ3 4.44Å; E365-W376 HydrophobicContact CG-CZ3 4.1Å; V368-W376 HydrophobicContact CG1-CB 3.95Å; V368-W376 HydrophobicContact CG1-CE3 4.09Å; V368-W376 HydrophobicContact CG2-CE3 4.5Å; W376-R378 PolarHBondContact O-N 3.08Å; W376-Y384 HydrophobicContact CH2-CD2 4.32Å; W376-Y384 AromaticContact CH2-CE2 3.88Å; W376-Y384 HydrophobicContact CH2-CE2 3.88Å; W376-Y384 HydrophobicContact CZ3-CE2 4.03Å
377P93.1Very high93.5Very high3 Ų354.8 Ų54.82%0.01927%0.268CS..PPolyproline II helixtrans-64.7124.1-177.3-17.233.5000110.4Y364 E382Y364-P377 VanDerWaalsContact OH-CD 3.31Å; Y364-P377 WeakPolarHBondContact OH-CD 3.21Å; P377-E382 WeakPolarHBondContact CA-OE2 3.39Å; P377-E382 HydrophobicContact CB-CB 3.82Å
378R90.8Very high93.3Very high205 Ų20555.1 Ų55.177%0.77427%0.269SS*.  trans-73.3-40.4-170.9-68.1179.7-71.3-162.80.5112.9W376 E382W376-R378 PolarHBondContact O-N 3.08Å; R378-E382 IonicContact CZ-OE1 3.22Å; R378-E382 VanDerWaalsContact CZ-OE1 3.24Å; R378-E382 PolarHBondContact N-OE2 3.29Å; R378-E382 IonicContact NE-OE1 3.74Å; R378-E382 PolarHBondContact NE-OE1 3.47Å; R378-E382 IonicContact NE-OE2 3.27Å; R378-E382 IonicContact NH2-OE1 3.64Å; R378-E382 PolarHBondContact NH2-OE1 2.82Å
379D92.3Very high93.2Very high84 Ų8455.4 Ų55.445%0.44927%0.27SS..SBendtrans-149.5-178.3178.864.253.1000110.6R271 S381 E382R271-D379 PolarHBondContact NH1-O 3.19Å; D379-S381 PolarHBondContact O-N 3.21Å; D379-S381 WeakPolarHBondContact OD1-CA 3.37Å; D379-S381 WeakPolarHBondContact OD1-CB 3.39Å; D379-S381 PolarHBondContact OD1-N 3.37Å; D379-S381 PolarHBondContact OD1-OG 3.34Å; D379-E382 PolarHBondContact O-N 2.94Å; D379-E382 VanDerWaalsContact O-N 3.12Å; D379-E382 VanDerWaalsContact O-O 3.11Å
380L92.6Very high93.1Very high48 Ų4854.8 Ų54.825%0.25127%0.265SS..THydrogen-bonded Turntrans-66.1-15-175.6-60.5-176.7000113.9P246 L247 H267 E382P246-L380 HydrophobicContact CB-CB 4.28Å; P246-L380 HydrophobicContact CB-CD2 4.07Å; P246-L380 HydrophobicContact CG-CB 4.04Å; P246-L380 HydrophobicContact CG-CD2 4.42Å; P246-L380 WeakPolarHBondContact CG-O 3.38Å; L247-L380 HydrophobicContact CD2-CB 3.83Å; L247-L380 HydrophobicContact CD2-CD1 4.27Å; L247-L380 HydrophobicContact CG-CB 4.22Å; H267-L380 HydrophobicContact CB-CD2 3.61Å; L380-E382 PolarHBondContact O-N 3.04Å
381S88.9Confident92.9Very high70 Ų7057.2 Ų57.249%0.4928%0.278SS..THydrogen-bonded Turntrans-69.2-25.1173.172.50000112.6D379D379-S381 PolarHBondContact O-N 3.21Å; D379-S381 WeakPolarHBondContact OD1-CA 3.37Å; D379-S381 WeakPolarHBondContact OD1-CB 3.39Å; D379-S381 PolarHBondContact OD1-N 3.37Å; D379-S381 PolarHBondContact OD1-OG 3.34Å
382E91.2Very high92.7Very high37 Ų3764 Ų6417%0.17331%0.31CS..SBendtrans-96.1121.7174.1-66.5173.9-174.300109.3R271 P377 R378 D379 L380R271-E382 PolarHBondContact NH1-O 3.07Å; R271-E382 PolarHBondContact NH2-O 3.09Å; P377-E382 WeakPolarHBondContact CA-OE2 3.39Å; P377-E382 HydrophobicContact CB-CB 3.82Å; R378-E382 IonicContact CZ-OE1 3.22Å; R378-E382 VanDerWaalsContact CZ-OE1 3.24Å; R378-E382 PolarHBondContact N-OE2 3.29Å; R378-E382 IonicContact NE-OE1 3.74Å; R378-E382 PolarHBondContact NE-OE1 3.47Å; R378-E382 IonicContact NE-OE2 3.27Å; R378-E382 IonicContact NH2-OE1 3.64Å; R378-E382 PolarHBondContact NH2-OE1 2.82Å; D379-E382 PolarHBondContact O-N 2.94Å; D379-E382 VanDerWaalsContact O-N 3.12Å; D379-E382 VanDerWaalsContact O-O 3.11Å; L380-E382 PolarHBondContact O-N 3.04Å
383A88.9Confident92.9Very high31 Ų3155.5 Ų55.526%0.25627%0.272SS..PPolyproline II helixtrans-69.6141.8-177.800000111.4S244S244-A383 WeakPolarHBondContact O-CB 3.35Å
384Y94.5Very high92.9Very high2 Ų252.9 Ų52.91%0.00826%0.263CS..PPolyproline II helixtrans-74.5127.3160.7-175.5-77.9000107I243 M270 I350 Y364 E365 W376 M386I243-Y384 HydrophobicContact CG2-CD1 3.87Å; I243-Y384 HydrophobicContact CG2-CG 4.18Å; M270-Y384 HydrophobicContact CE-CG 4.39Å; I350-Y384 HydrophobicContact CD1-CE1 3.8Å; I350-Y384 HydrophobicContact CG1-CE1 4.23Å; Y364-Y384 HydrophobicContact CD1-CE2 4.3Å; Y364-Y384 HydrophobicContact CE1-CD2 4.45Å; Y364-Y384 HydrophobicContact CE1-CE2 4.1Å; E365-Y384 WeakPolarHBondContact CG-OH 3.43Å; E365-Y384 PolarHBondContact OE1-OH 2.97Å; W376-Y384 HydrophobicContact CH2-CD2 4.32Å; W376-Y384 AromaticContact CH2-CE2 3.88Å; W376-Y384 HydrophobicContact CH2-CE2 3.88Å; W376-Y384 HydrophobicContact CZ3-CE2 4.03Å; Y384-M386 HydrophobicContact CD1-SD 4.18Å; Y384-M386 HydrophobicContact CE1-SD 4.42Å; Y384-M386 PolarHBondContact O-N 3.43Å
385P93.6Very high92.9Very high17 Ų1752.1 Ų52.111%0.1126%0.26CS..PPolyproline II helixtrans-69.5125.1-16927.9-35000111.8Y364 L394Y364-P385 HydrophobicContact CD1-CG 3.41Å; Y364-P385 VanDerWaalsContact CD1-CG 3.41Å; Y364-P385 HydrophobicContact CD2-CG 3.77Å; Y364-P385 VanDerWaalsContact CE1-CD 3.5Å; Y364-P385 HydrophobicContact CE1-CG 3.5Å; Y364-P385 VanDerWaalsContact CE1-CG 3.5Å; Y364-P385 HydrophobicContact CE2-CG 3.87Å; Y364-P385 HydrophobicContact CG-CG 3.54Å; P385-L394 HydrophobicContact CB-CD1 3.78Å
386M95.6Very high92.9Very high7 Ų748.7 Ų48.73%0.03425%0.245CC..  trans-117.160.8168.5-56.4-62.4-6900108.6G216 C217 T218 S219 S240 I243 S244 I350 Y384G216-M386 WeakPolarHBondContact O-CE 3.33Å; C217-M386 CarbonylContact O-C 3.51Å; T218-M386 CarbonylContact C-O 3.54Å; T218-M386 WeakPolarHBondContact CA-O 3.48Å; S219-M386 PolarHBondContact N-O 2.89Å; S240-M386 WeakPolarHBondContact OG-CE 3.28Å; I243-M386 HydrophobicContact CB-CG 4.07Å; I243-M386 HydrophobicContact CB-SD 4.33Å; I243-M386 HydrophobicContact CD1-CE 4.42Å; I243-M386 HydrophobicContact CD1-SD 4.39Å; I243-M386 HydrophobicContact CG2-CG 3.73Å; I243-M386 HydrophobicContact CG2-SD 3.76Å; S244-M386 WeakPolarHBondContact OG-CB 3.46Å; I350-M386 HydrophobicContact CD1-CE 4.09Å; I350-M386 HydrophobicContact CD1-SD 3.74Å; Y384-M386 HydrophobicContact CD1-SD 4.18Å; Y384-M386 HydrophobicContact CE1-SD 4.42Å; Y384-M386 PolarHBondContact O-N 3.43Å
387D94.7Very high92.9Very high16 Ų1648 Ų489%0.08624%0.243CC..BIsolated β-bridgetrans-121.518.9-169.274-38.2000113.2Y389 A390 L394D387-Y389 VanDerWaalsContact C-N 3.34Å; D387-Y389 PolarHBondContact O-N 2.64Å; D387-A390 HydrophobicContact CB-CB 3.9Å; D387-A390 VanDerWaalsContact O-CB 3.31Å; D387-A390 WeakPolarHBondContact O-CB 3.37Å; D387-A390 PolarHBondContact O-N 3.13Å; D387-L394 VanDerWaalsContact OD2-CB 3.32Å; D387-L394 WeakPolarHBondContact OD2-CB 3.47Å; D387-L394 WeakPolarHBondContact OD2-CG 3.46Å; D387-L394 PolarHBondContact OD2-N 3.26Å
388Y95.4Very high93Very high10 Ų1047.9 Ų47.94%0.03924%0.242CC..THydrogen-bonded Turntrans-59.2-39.7-166.1-168.8-113.1000113.7C217 V343 A344 P346 P363 T398 P399C217-Y388 WeakPolarHBondContact O-CB 3.36Å; C217-Y388 PolarHBondContact O-N 3.08Å; V343-Y388 WeakPolarHBondContact CG1-OH 3.38Å; A344-Y388 WeakPolarHBondContact O-CE1 3.37Å; A344-Y388 PolarHBondContact O-OH 3.05Å; P346-Y388 HydrophobicContact CG-CD1 3.75Å; P346-Y388 HydrophobicContact CG-CD2 3.86Å; P346-Y388 HydrophobicContact CG-CE1 4.33Å; P346-Y388 HydrophobicContact CG-CE2 4.44Å; P346-Y388 HydrophobicContact CG-CG 3.48Å; P346-Y388 VanDerWaalsContact CG-CG 3.48Å; P363-Y388 HydrophobicContact CG-CE2 4.07Å; Y388-T398 VanDerWaalsContact O-CB 3.3Å; Y388-T398 WeakPolarHBondContact O-CB 3.45Å; Y388-P399 HydrophobicContact CD1-CG 4.35Å; Y388-P399 HydrophobicContact CE1-CG 3.88Å; Y388-P399 HydrophobicContact CE2-CG 4.23Å; Y388-P399 VanDerWaalsContact O-CD 3.23Å; Y388-P399 WeakPolarHBondContact O-CD 3.34Å
389Y94.7Very high93.2Very high9 Ų939 Ų394%0.03521%0.211CC..THydrogen-bonded Turntrans-108.512.9171.1-69.6-74.5000112.6C116 L139 I140 P208 T218 K296 Q297 D387 N391 P399 N400C116-Y389 HydrophobicContact CB-CE2 4.09Å; L139-Y389 HydrophobicContact CD1-CG 4.21Å; L139-Y389 HydrophobicContact CD2-CD2 3.61Å; L139-Y389 HydrophobicContact CD2-CE2 3.97Å; L139-Y389 HydrophobicContact CD2-CG 3.92Å; L139-Y389 HydrophobicContact CG-CD1 4.43Å; L139-Y389 HydrophobicContact CG-CD2 4.25Å; L139-Y389 HydrophobicContact CG-CG 4.04Å; I140-Y389 HydrophobicContact CG2-CD1 4.45Å; I140-Y389 HydrophobicContact CG2-CE1 3.86Å; P208-Y389 WeakPolarHBondContact CD-O 3.39Å; T218-Y389 PolarHBondContact OG1-N 3.34Å; K296-Y389 PolarHBondContact O-OH 2.78Å; K296-Y389 VanDerWaalsContact O-OH 3.09Å; Q297-Y389 WeakPolarHBondContact CA-OH 3.43Å; Q297-Y389 PolarHBondContact O-OH 2.91Å; D387-Y389 VanDerWaalsContact C-N 3.34Å; D387-Y389 PolarHBondContact O-N 2.64Å; Y389-N391 PolarHBondContact O-N 3.14Å; Y389-P399 HydrophobicContact CD1-CB 4.18Å; Y389-P399 HydrophobicContact CD1-CG 4.17Å; Y389-P399 HydrophobicContact CE1-CB 4.04Å; Y389-P399 HydrophobicContact CE1-CG 3.83Å; Y389-N400 PolarHBondContact O-ND2 3.12Å
390A94.4Very high93.2Very high2 Ų236.2 Ų36.22%0.01720%0.196CC..  trans-65.4137.4175.100000110.7L207 T218 D387 Q392 S393 N400L207-A390 CarbonylContact O-C 3.44Å; L207-A390 WeakPolarHBondContact O-CA 3.35Å; T218-A390 HydrophobicContact CG2-CB 4.13Å; D387-A390 HydrophobicContact CB-CB 3.9Å; D387-A390 VanDerWaalsContact O-CB 3.31Å; D387-A390 WeakPolarHBondContact O-CB 3.37Å; D387-A390 PolarHBondContact O-N 3.13Å; A390-Q392 PolarHBondContact O-N 3.08Å; A390-S393 PolarHBondContact O-N 3.43Å; A390-N400 VanDerWaalsContact O-CB 3.3Å; A390-N400 WeakPolarHBondContact O-CB 3.49Å
391N92.9Very high93.3Very high71 Ų7135 Ų3538%0.3819%0.188SC..SBendtrans-64.4-33.5169.5-82.1-21000111.4L207 Y389 S393 K405L207-N391 HydrophobicContact CB-CB 4.11Å; L207-N391 PolarHBondContact O-N 2.92Å; Y389-N391 PolarHBondContact O-N 3.14Å; N391-S393 PolarHBondContact O-N 3.34Å; N391-S393 VanDerWaalsContact O-N 3.13Å; N391-K405 PolarHBondContact OD1-NZ 3.35Å
392Q91.2Very high93.5Very high165 Ų16540.4 Ų40.477%0.77120%0.198SC*.SBendtrans-86.457.6172.7-64.7-1790.100110.5A390A390-Q392 PolarHBondContact O-N 3.08Å
393S91.9Very high93.4Very high22 Ų2241.7 Ų41.715%0.15421%0.206CC..  trans-59136.2175.6168.90000111.7A390 N391 G395 T398 H401A390-S393 PolarHBondContact O-N 3.43Å; N391-S393 PolarHBondContact O-N 3.34Å; N391-S393 VanDerWaalsContact O-N 3.13Å; S393-G395 VanDerWaalsContact C-N 3.33Å; S393-G395 PolarHBondContact OG-N 3.41Å; S393-G395 PolarHBondContact OG-O 2.7Å; S393-T398 WeakPolarHBondContact CB-OG1 3.21Å; S393-T398 PolarHBondContact OG-OG1 3.34Å; S393-H401 WeakPolarHBondContact OG-CB 3.49Å; S393-H401 PolarHBondContact OG-CD2 3.09Å
394L92.4Very high93.5Very high119 Ų11940.5 Ų40.562%0.62320%0.195SC*.SBendtrans-80.1-13.7175.9-63.4173.6000113P385 D387 W397P385-L394 HydrophobicContact CB-CD1 3.78Å; D387-L394 VanDerWaalsContact OD2-CB 3.32Å; D387-L394 WeakPolarHBondContact OD2-CB 3.47Å; D387-L394 WeakPolarHBondContact OD2-CG 3.46Å; D387-L394 PolarHBondContact OD2-N 3.26Å; L394-W397 HydrophobicContact CB-CZ2 3.7Å; L394-W397 WeakPolarHBondContact O-CH2 3.38Å
395G94.1Very high92.9Very high5 Ų545.6 Ų45.65%0.05222%0.218CC..SBendtrans178.5-179.1-18000000116.1S393 W397 T398 H401S393-G395 VanDerWaalsContact C-N 3.33Å; S393-G395 PolarHBondContact OG-N 3.41Å; S393-G395 PolarHBondContact OG-O 2.7Å; G395-W397 PolarHBondContact O-N 3.37Å; G395-T398 PolarHBondContact O-N 2.72Å; G395-H401 WeakPolarHBondContact O-CB 3.28Å
396H93Very high91.5Very high59 Ų5951.7 Ų51.727%0.27325%0.248SC..THydrogen-bonded Turntrans-71.6-5-167.8-51.1175000112.9Q305 F367 T398 H401 L403 N404Q305-H396 HydrophobicContact CG-CB 4.29Å; F367-H396 HydrophobicContact CE1-CB 4.43Å; F367-H396 HydrophobicContact CZ-CB 4.18Å; H396-T398 VanDerWaalsContact C-N 3.25Å; H396-T398 PolarHBondContact O-N 3.42Å; H396-H401 AromaticContact CD2-CE1 2.94Å; H396-H401 PolarHBondContact CD2-CE1 2.7Å; H396-H401 AromaticContact CD2-CG 3.99Å; H396-H401 AromaticContact CD2-ND1 3.26Å; H396-H401 PolarHBondContact CD2-ND1 3.13Å; H396-H401 VanDerWaalsContact CD2-ND1 3.26Å; H396-H401 AromaticContact CD2-NE2 3.53Å; H396-H401 AromaticContact CG-ND1 3.95Å; H396-H401 AromaticContact NE2-CE1 3.32Å; H396-H401 PolarHBondContact NE2-CE1 3.12Å; H396-H401 VanDerWaalsContact NE2-CE1 3.32Å; H396-H401 AromaticContact NE2-NE2 3.96Å; H396-L403 WeakPolarHBondContact CE1-CD1 3.46Å; H396-L403 WeakPolarHBondContact ND1-CD1 3.34Å; H396-L403 VanDerWaalsContact NE2-CD1 3.3Å; H396-L403 WeakPolarHBondContact NE2-CD1 3.21Å; H396-N404 PolarHBondContact O-ND2 2.75Å
397W94.9Very high89.7Confident27 Ų2753.7 Ų53.710%0.10226%0.263CS..THydrogen-bonded Turntrans-74.7-8.1174.254.985000113.9P363 Y364 F367 V374 L394 G395P363-W397 HydrophobicContact CB-CB 3.78Å; P363-W397 WeakPolarHBondContact CB-O 3.45Å; Y364-W397 HydrophobicContact CD2-CD2 4.14Å; Y364-W397 AromaticContact CD2-CE2 3.72Å; Y364-W397 HydrophobicContact CD2-CH2 4.27Å; Y364-W397 AromaticContact CD2-CZ2 3.79Å; Y364-W397 HydrophobicContact CD2-CZ2 3.79Å; Y364-W397 HydrophobicContact CE2-CZ2 4.27Å; F367-W397 HydrophobicContact CB-CE3 3.95Å; F367-W397 HydrophobicContact CD1-CE3 4.3Å; F367-W397 HydrophobicContact CD2-CB 3.66Å; F367-W397 HydrophobicContact CD2-CE3 4.31Å; F367-W397 HydrophobicContact CE2-CB 3.97Å; F367-W397 HydrophobicContact CG-CB 4.4Å; F367-W397 AromaticContact CG-CE3 3.93Å; F367-W397 HydrophobicContact CG-CE3 3.93Å; V374-W397 HydrophobicContact CB-CZ3 4.46Å; V374-W397 HydrophobicContact CG1-CE3 4.37Å; V374-W397 HydrophobicContact CG1-CH2 3.87Å; V374-W397 HydrophobicContact CG1-CZ3 3.61Å; V374-W397 HydrophobicContact CG2-CZ3 3.93Å; L394-W397 HydrophobicContact CB-CZ2 3.7Å; L394-W397 WeakPolarHBondContact O-CH2 3.38Å; G395-W397 PolarHBondContact O-N 3.37Å
398T95.8Very high87.8Confident0 Ų055.8 Ų55.80%028%0.283CS..SBendtrans-109.9141.9-179.391.20000113.3Y388 S393 G395 H396 N400 H401 N404Y388-T398 VanDerWaalsContact O-CB 3.3Å; Y388-T398 WeakPolarHBondContact O-CB 3.45Å; S393-T398 WeakPolarHBondContact CB-OG1 3.21Å; S393-T398 PolarHBondContact OG-OG1 3.34Å; G395-T398 PolarHBondContact O-N 2.72Å; H396-T398 VanDerWaalsContact C-N 3.25Å; H396-T398 PolarHBondContact O-N 3.42Å; T398-N400 PolarHBondContact O-N 3.37Å; T398-H401 WeakPolarHBondContact O-CB 3.41Å; T398-H401 PolarHBondContact O-N 3.24Å; T398-N404 PolarHBondContact O-ND2 3.19Å
399P94.1Very high85.5Confident19 Ų1961.2 Ų61.212%0.12332%0.319CS..THydrogen-bonded Turntrans-49.8-39.3176.6-30.128.5000115.3V302 Y388 Y389 H401 N404V302-P399 HydrophobicContact CG2-CG 4.46Å; Y388-P399 HydrophobicContact CD1-CG 4.35Å; Y388-P399 HydrophobicContact CE1-CG 3.88Å; Y388-P399 HydrophobicContact CE2-CG 4.23Å; Y388-P399 VanDerWaalsContact O-CD 3.23Å; Y388-P399 WeakPolarHBondContact O-CD 3.34Å; Y389-P399 HydrophobicContact CD1-CB 4.18Å; Y389-P399 HydrophobicContact CD1-CG 4.17Å; Y389-P399 HydrophobicContact CE1-CB 4.04Å; Y389-P399 HydrophobicContact CE1-CG 3.83Å; P399-H401 VanDerWaalsContact C-N 3.34Å; P399-H401 PolarHBondContact O-N 3.29Å; P399-N404 WeakPolarHBondContact O-CB 3.31Å
400N93.3Very high83.2Confident25 Ų2569.8 Ų69.813%0.13436%0.357CS..THydrogen-bonded Turntrans-86.80.1-173.2-83.8-28.4000114.8Y389 A390 T398 K405Y389-N400 PolarHBondContact O-ND2 3.12Å; A390-N400 VanDerWaalsContact O-CB 3.3Å; A390-N400 WeakPolarHBondContact O-CB 3.49Å; T398-N400 PolarHBondContact O-N 3.37Å; N400-K405 VanDerWaalsContact O-CE 3.28Å; N400-K405 WeakPolarHBondContact O-CE 3.17Å; N400-K405 WeakPolarHBondContact OD1-CE 3.44Å
401H94.5Very high80.9Confident21 Ų2174.8 Ų74.810%0.09739%0.389CS..SBendtrans-61.7143.1174.5-170-97.2000112S393 G395 H396 T398 P399 L403 N404 K405S393-H401 WeakPolarHBondContact OG-CB 3.49Å; S393-H401 PolarHBondContact OG-CD2 3.09Å; G395-H401 WeakPolarHBondContact O-CB 3.28Å; H396-H401 AromaticContact CD2-CE1 2.94Å; H396-H401 PolarHBondContact CD2-CE1 2.7Å; H396-H401 AromaticContact CD2-CG 3.99Å; H396-H401 AromaticContact CD2-ND1 3.26Å; H396-H401 PolarHBondContact CD2-ND1 3.13Å; H396-H401 VanDerWaalsContact CD2-ND1 3.26Å; H396-H401 AromaticContact CD2-NE2 3.53Å; H396-H401 AromaticContact CG-ND1 3.95Å; H396-H401 AromaticContact NE2-CE1 3.32Å; H396-H401 PolarHBondContact NE2-CE1 3.12Å; H396-H401 VanDerWaalsContact NE2-CE1 3.32Å; H396-H401 AromaticContact NE2-NE2 3.96Å; T398-H401 WeakPolarHBondContact O-CB 3.41Å; T398-H401 PolarHBondContact O-N 3.24Å; P399-H401 VanDerWaalsContact C-N 3.34Å; P399-H401 PolarHBondContact O-N 3.29Å; H401-L403 VanDerWaalsContact C-N 3.26Å; H401-L403 PolarHBondContact ND1-N 3.34Å; H401-L403 PolarHBondContact O-N 3.49Å; H401-L403 VanDerWaalsContact O-N 3.1Å; H401-N404 WeakPolarHBondContact O-CA 3.43Å; H401-N404 WeakPolarHBondContact O-CB 2.9Å; H401-N404 PolarHBondContact O-N 3.21Å; H401-K405 PolarHBondContact O-N 3.1Å; H401-K405 VanDerWaalsContact O-N 3.08Å
402R91.7Very high78.3Confident184 Ų18478.4 Ų78.469%0.69441%0.413SS*.Hα-helixtrans-51.3-39.3-175.462.3179.2179.8166.61.8114.4N404 K405 L406R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 2.84Å; R402-K405 PolarHBondContact O-N 2.86Å; R402-L406 VanDerWaalsContact O-CG 3.31Å; R402-L406 WeakPolarHBondContact O-CG 2.88Å; R402-L406 PolarHBondContact O-N 3.16Å; R402-L406 VanDerWaalsContact O-N 3.17Å
403L89Confident75.7Confident65 Ų6580.9 Ų80.934%0.3443%0.432SS..Hα-helixtrans-70.1-28.7179.6-65.7-176000113H396 H401 S407H396-L403 WeakPolarHBondContact CE1-CD1 3.46Å; H396-L403 WeakPolarHBondContact ND1-CD1 3.34Å; H396-L403 VanDerWaalsContact NE2-CD1 3.3Å; H396-L403 WeakPolarHBondContact NE2-CD1 3.21Å; H401-L403 VanDerWaalsContact C-N 3.26Å; H401-L403 PolarHBondContact ND1-N 3.34Å; H401-L403 PolarHBondContact O-N 3.49Å; H401-L403 VanDerWaalsContact O-N 3.1Å; L403-S407 PolarHBondContact O-OG 3.38Å
404N91.5Very high74.8Confident6 Ų683.9 Ų83.93%0.03245%0.446CS..Hα-helixtrans-82.2-29.7179.4-65.2-20.7000111.3A301 Q305 H396 T398 P399 H401 R402 S407A301-N404 HydrophobicContact CB-CB 3.78Å; Q305-N404 VanDerWaalsContact CG-OD1 3.31Å; Q305-N404 WeakPolarHBondContact CG-OD1 3.44Å; H396-N404 PolarHBondContact O-ND2 2.75Å; T398-N404 PolarHBondContact O-ND2 3.19Å; P399-N404 WeakPolarHBondContact O-CB 3.31Å; H401-N404 WeakPolarHBondContact O-CA 3.43Å; H401-N404 WeakPolarHBondContact O-CB 2.9Å; H401-N404 PolarHBondContact O-N 3.21Å; R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 2.84Å; N404-S407 WeakPolarHBondContact CA-OG 3.04Å; N404-S407 PolarHBondContact O-OG 2.85Å; N404-S407 VanDerWaalsContact O-OG 3.11Å
405K83Confident73.9Confident109 Ų10982 Ų8247%0.47444%0.436SS..Hα-helixtrans-70.2-36.8171.2-68.5-171.8176.1178.30113N391 N400 H401 R402 S407 A408N391-K405 PolarHBondContact OD1-NZ 3.35Å; N400-K405 VanDerWaalsContact O-CE 3.28Å; N400-K405 WeakPolarHBondContact O-CE 3.17Å; N400-K405 WeakPolarHBondContact OD1-CE 3.44Å; H401-K405 PolarHBondContact O-N 3.1Å; H401-K405 VanDerWaalsContact O-N 3.08Å; R402-K405 PolarHBondContact O-N 2.86Å; K405-S407 VanDerWaalsContact C-N 3.28Å; K405-S407 PolarHBondContact O-N 3.44Å; K405-A408 PolarHBondContact O-N 3.3Å
406L64.1Low72.8Confident144 Ų14486.3 Ų86.375%0.75446%0.458SS*.Hα-helixtrans-70.8-22.6179.5-72.3168.8000113.7R402R402-L406 VanDerWaalsContact O-CG 3.31Å; R402-L406 WeakPolarHBondContact O-CG 2.88Å; R402-L406 PolarHBondContact O-N 3.16Å; R402-L406 VanDerWaalsContact O-N 3.17Å
407S57.1Low71.6Confident50 Ų5087.9 Ų87.935%0.3547%0.469SS..THydrogen-bonded Turntrans-90.9-2.4-178.740.90000113.6L403 N404 K405L403-S407 PolarHBondContact O-OG 3.38Å; N404-S407 WeakPolarHBondContact CA-OG 3.04Å; N404-S407 PolarHBondContact O-OG 2.85Å; N404-S407 VanDerWaalsContact O-OG 3.11Å; K405-S407 VanDerWaalsContact C-N 3.28Å; K405-S407 PolarHBondContact O-N 3.44Å
408A54.5Low70.2Confident60 Ų6091.7 Ų91.750%0.49649%0.492SS..SBendtrans-65.3126.1170.800000109.3K405 K410K405-A408 PolarHBondContact O-N 3.3Å; A408-K410 PolarHBondContact O-N 3.22Å
409P47.6Very low68.4Low124 Ų12497.8 Ų97.881%0.80552%0.524SS*.PPolyproline II helixtrans-57.1126.4174.222-29.3000108.3
410K46.4Very low66.6Low189 Ų189103.4 Ų103.482%0.82255%0.553SS**PPolyproline II helixtrans-57.5136.6169.7-73.8-174.3177.9-1790107.4A408 V412A408-K410 PolarHBondContact O-N 3.22Å; K410-V412 PolarHBondContact O-N 2.96Å; K410-V412 VanDerWaalsContact O-N 3.12Å
411P45.3Very low64.6Low106 Ų106109.5 Ų109.569%0.68859%0.585SS**PPolyproline II helixtrans-53.8125.5174.220.7-29.8000108.3N413P411-N413 PolarHBondContact O-N 2.76Å; P411-N413 VanDerWaalsContact O-N 3.14Å
412V38.2Very low62.1Low147 Ų147116.8 Ų116.889%0.89163%0.626SS**  trans-71.6105.4169-178.10000104.7K410K410-V412 PolarHBondContact O-N 2.96Å; K410-V412 VanDerWaalsContact O-N 3.12Å
413N36.3Very low59.4Low218 Ų218110.7 Ų110.7100%1.16662%0.62SS**  trans-60.50175.6-80.8-14.2000111.8P411P411-N413 PolarHBondContact O-N 2.76Å; P411-N413 VanDerWaalsContact O-N 3.14Å

Retrieved 413 of 413 residues in 167 ms (Link to these results)

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