A0A087Y4E1_POEFO Loading...

3-hydroxyanthranilate 3,4-dioxygenase

Catalyzes the oxidative ring opening of 3-hydroxyanthranilate to 2-amino-3-carboxymuconate semialdehyde, which spontaneously cyclizes to quinolinate.

AlphaFold DB , UniProt , Accession A0A087Y4E1, Species POEFO (Poecilia formosa, Amazon molly), Gene HAAO, Length 287 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
1M38.7Very low74.6Confident243 Ų24387.2 Ų87.2100%1.19749%0.487SS*.  0114.70-59-168.7-162.300106.5S3M1-S3 PolarHBondContact O-N 3.1Å
2S36.3Very low76.5Confident118 Ų11890.8 Ų90.883%0.82549%0.494SS*.  trans-61124.7178179.70000108Q4S2-Q4 VanDerWaalsContact C-N 3.26Å; S2-Q4 PolarHBondContact O-N 3.12Å
3S45.5Very low78.2Confident111 Ų11186.3 Ų86.378%0.77647%0.465SS*.  trans-62.988.517555.10000108.5M1 V5M1-S3 PolarHBondContact O-N 3.1Å; S3-V5 PolarHBondContact O-N 3.27Å
4Q60.4Low79.6Confident108 Ų10881.9 Ų81.951%0.50544%0.441SS..  trans-63.8125.1176.3-156.9165.915.200106.9S2 P6 M30S2-Q4 VanDerWaalsContact C-N 3.26Å; S2-Q4 PolarHBondContact O-N 3.12Å; Q4-P6 WeakPolarHBondContact O-CD 3.5Å; Q4-P6 VanDerWaalsContact O-N 3.15Å; Q4-M30 PolarHBondContact NE2-O 2.81Å
5V66.2Low80.8Confident97 Ų9779.9 Ų79.959%0.58844%0.441SS*.  trans-62119.2-177.7-175.80000107.2S3 L7S3-V5 PolarHBondContact O-N 3.27Å; V5-L7 WeakPolarHBondContact CG1-O 3.33Å; V5-L7 PolarHBondContact O-N 2.77Å
6P86.8Confident81.9Confident36 Ų3684.3 Ų84.323%0.23446%0.457CS..SBendtrans-69.9-27.6-175.427.5-34.5000111.4Q4 F249 L257 L258Q4-P6 WeakPolarHBondContact O-CD 3.5Å; Q4-P6 VanDerWaalsContact O-N 3.15Å; P6-F249 HydrophobicContact CG-CE1 3.89Å; P6-F249 HydrophobicContact CG-CZ 4.05Å; P6-L257 HydrophobicContact CB-CD1 3.78Å; P6-L257 HydrophobicContact CG-CD1 4.09Å; P6-L257 VanDerWaalsContact O-CA 3.26Å; P6-L257 WeakPolarHBondContact O-CA 3.27Å; P6-L258 WeakPolarHBondContact CB-O 3.38Å; P6-L258 PolarHBondContact O-N 3.3Å
7L95.8Very high82.8Confident48 Ų4880.8 Ų80.825%0.25144%0.438SS..EExtended strand (participates in β ladder)trans-96.1117.4-178.3-179.566.4000111.2V5 F249 L251 D255 S256 L257V5-L7 WeakPolarHBondContact CG1-O 3.33Å; V5-L7 PolarHBondContact O-N 2.77Å; L7-F249 HydrophobicContact CB-CD1 4.29Å; L7-F249 HydrophobicContact CD2-CD1 4.46Å; L7-L251 HydrophobicContact CD1-CD1 4.28Å; L7-L251 HydrophobicContact CD1-CG 3.82Å; L7-D255 HydrophobicContact CD1-CB 4.04Å; L7-S256 CarbonylContact C-O 3.56Å; L7-S256 VanDerWaalsContact CA-O 3.3Å; L7-S256 WeakPolarHBondContact CA-O 3.34Å; L7-S256 WeakPolarHBondContact CD1-O 3.4Å; L7-L257 HydrophobicContact CB-CD1 3.86Å; L7-L257 HydrophobicContact CD1-CB 4.47Å; L7-L257 HydrophobicContact CD1-CD1 4.39Å
8V96.8Very high83.5Confident26 Ų2683.1 Ų83.116%0.15845%0.445CS..EExtended strand (participates in β ladder)trans-140.8130.2-176.6-179.90000110.2V10 W13 M30 S256V8-V10 PolarHBondContact O-N 2.9Å; V8-W13 HydrophobicContact CG1-CB 3.49Å; V8-W13 VanDerWaalsContact CG1-CB 3.49Å; V8-W13 HydrophobicContact CG1-CG 3.71Å; V8-M30 HydrophobicContact CB-SD 4.46Å; V8-M30 HydrophobicContact CG1-CE 4.01Å; V8-M30 HydrophobicContact CG1-SD 4.36Å; V8-S256 PolarHBondContact N-O 3.29Å; V8-S256 WeakPolarHBondContact O-CA 3.3Å; V8-S256 PolarHBondContact O-N 2.84Å; V8-S256 PolarHBondContact O-OG 2.87Å
9N98.3Very high84.2Confident26 Ų2686.3 Ų86.314%0.13946%0.462CS..EExtended strand (participates in β ladder)trans-75.6119.1168.9-171.5-85.7000110.3E11 K12 W13 G254 D255N9-E11 PolarHBondContact O-N 2.8Å; N9-E11 PolarHBondContact OD1-N 3.39Å; N9-K12 HydrophobicContact CB-CB 4.11Å; N9-K12 HydrophobicContact CB-CD 3.96Å; N9-K12 HydrophobicContact CB-CG 4.2Å; N9-K12 PolarHBondContact O-N 2.84Å; N9-K12 WeakPolarHBondContact OD1-CG 3.24Å; N9-K12 PolarHBondContact OD1-N 2.88Å; N9-W13 WeakPolarHBondContact O-CB 3.28Å; N9-W13 PolarHBondContact O-N 2.91Å; N9-G254 WeakPolarHBondContact CA-O 3.35Å; N9-G254 VanDerWaalsContact ND2-C 3.31Å; N9-D255 WeakPolarHBondContact CB-OD1 3.35Å; N9-D255 PolarHBondContact ND2-OD1 2.73Å
10V98.3Very high84.8Confident1 Ų182.9 Ų82.91%0.00645%0.446CS..Hα-helixtrans-62.9-46.7-169.7175.30000111.8V8 W13 I14 M30 F39 L61 W232 W234 G254 S256V8-V10 PolarHBondContact O-N 2.9Å; V10-W13 PolarHBondContact O-N 2.83Å; V10-I14 HydrophobicContact CG1-CD1 3.78Å; V10-I14 HydrophobicContact CG1-CG1 4.46Å; V10-I14 WeakPolarHBondContact O-CB 3.37Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 2.79Å; V10-M30 HydrophobicContact CG2-CE 4.33Å; V10-F39 HydrophobicContact CG1-CE1 3.96Å; V10-F39 HydrophobicContact CG1-CE2 4.38Å; V10-F39 HydrophobicContact CG1-CZ 3.53Å; V10-L61 HydrophobicContact CG1-CD1 4.5Å; V10-W232 HydrophobicContact CG2-CH2 4.34Å; V10-W232 HydrophobicContact CG2-CZ2 4.02Å; V10-W234 HydrophobicContact CB-CZ2 3.93Å; V10-W234 HydrophobicContact CG1-CH2 4.07Å; V10-W234 HydrophobicContact CG1-CZ2 3.69Å; V10-W234 HydrophobicContact CG2-CD2 4.07Å; V10-W234 HydrophobicContact CG2-CG 4.21Å; V10-W234 HydrophobicContact CG2-CZ2 4.18Å; V10-G254 PolarHBondContact N-O 3.27Å; V10-S256 WeakPolarHBondContact CG2-OG 3.39Å
11E97.5Very high85.4Confident145 Ų14579.3 Ų79.368%0.67843%0.427SS*.Hα-helixtrans-65.9-43.5-178.8-66.5-175.5178.300112N9 I14 A15N9-E11 PolarHBondContact O-N 2.8Å; N9-E11 PolarHBondContact OD1-N 3.39Å; E11-I14 PolarHBondContact O-N 2.83Å; E11-A15 WeakPolarHBondContact O-CB 3.17Å; E11-A15 PolarHBondContact O-N 3.06Å
12K98Very high88Confident131 Ų13171.4 Ų71.457%0.5739%0.389SS*.Hα-helixtrans-62.5-44.9175.8-67.9178.1-172.9170.60111.1N9 I14 A15 E16N9-K12 HydrophobicContact CB-CB 4.11Å; N9-K12 HydrophobicContact CB-CD 3.96Å; N9-K12 HydrophobicContact CB-CG 4.2Å; N9-K12 PolarHBondContact O-N 2.84Å; N9-K12 WeakPolarHBondContact OD1-CG 3.24Å; N9-K12 PolarHBondContact OD1-N 2.88Å; K12-I14 VanDerWaalsContact C-N 3.35Å; K12-I14 PolarHBondContact O-N 2.9Å; K12-A15 WeakPolarHBondContact O-CB 3.29Å; K12-A15 PolarHBondContact O-N 3.04Å; K12-A15 VanDerWaalsContact O-N 3.14Å; K12-E16 WeakPolarHBondContact O-CB 3.41Å; K12-E16 VanDerWaalsContact O-CG 3.29Å; K12-E16 WeakPolarHBondContact O-CG 3.33Å; K12-E16 PolarHBondContact O-N 2.95Å
13W98.1Very high90.8Very high32 Ų3269.2 Ų69.212%0.12137%0.372CS..Hα-helixtrans-62.8-41.9178.2-173.195.4000111.7V8 N9 V10 A15 E16 N17 F21 K28 M30 F39V8-W13 HydrophobicContact CG1-CB 3.49Å; V8-W13 VanDerWaalsContact CG1-CB 3.49Å; V8-W13 HydrophobicContact CG1-CG 3.71Å; N9-W13 WeakPolarHBondContact O-CB 3.28Å; N9-W13 PolarHBondContact O-N 2.91Å; V10-W13 PolarHBondContact O-N 2.83Å; W13-A15 VanDerWaalsContact C-N 3.34Å; W13-E16 PolarHBondContact O-N 2.99Å; W13-N17 HydrophobicContact CZ3-CB 4.47Å; W13-N17 WeakPolarHBondContact O-CB 3.48Å; W13-N17 PolarHBondContact O-N 2.8Å; W13-N17 VanDerWaalsContact O-N 3.11Å; W13-N17 PolarHBondContact O-ND2 2.8Å; W13-F21 HydrophobicContact CZ3-CE1 4.42Å; W13-F21 AromaticContact CZ3-CZ 3.89Å; W13-F21 HydrophobicContact CZ3-CZ 3.89Å; W13-K28 HydrophobicContact CH2-CB 3.76Å; W13-K28 HydrophobicContact CH2-CD 3.89Å; W13-K28 HydrophobicContact CH2-CG 3.66Å; W13-K28 HydrophobicContact CZ2-CD 3.9Å; W13-K28 HydrophobicContact CZ2-CG 3.91Å; W13-M30 HydrophobicContact CB-CE 3.83Å; W13-M30 HydrophobicContact CD2-CB 4.45Å; W13-M30 HydrophobicContact CD2-CE 3.53Å; W13-M30 HydrophobicContact CD2-CG 4.33Å; W13-M30 HydrophobicContact CE3-CE 3.6Å; W13-M30 HydrophobicContact CG-CE 3.64Å; W13-M30 HydrophobicContact CH2-CB 3.98Å; W13-M30 VanDerWaalsContact CZ2-CA 3.46Å; W13-M30 HydrophobicContact CZ2-CB 3.86Å; W13-M30 HydrophobicContact CZ2-CG 4.39Å; W13-M30 HydrophobicContact CZ3-CB 4.35Å; W13-M30 HydrophobicContact CZ3-CE 4.35Å; W13-F39 AromaticContact CE3-CD2 4Å; W13-F39 HydrophobicContact CE3-CD2 4Å; W13-F39 HydrophobicContact CE3-CE2 4.45Å; W13-F39 HydrophobicContact CH2-CD2 4.32Å; W13-F39 HydrophobicContact CZ3-CB 4.14Å; W13-F39 AromaticContact CZ3-CD2 3.51Å; W13-F39 HydrophobicContact CZ3-CD2 3.51Å; W13-F39 HydrophobicContact CZ3-CE2 4.33Å; W13-F39 HydrophobicContact CZ3-CG 4.13Å
14I98.1Very high92.7Very high24 Ų2470.3 Ų70.312%0.12338%0.376CS..Hα-helixtrans-60.8-46.1173-69.9167.1000109.9V10 E11 K12 E16 N17 Q18 F21 F39 L61 V103V10-I14 HydrophobicContact CG1-CD1 3.78Å; V10-I14 HydrophobicContact CG1-CG1 4.46Å; V10-I14 WeakPolarHBondContact O-CB 3.37Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 2.79Å; E11-I14 PolarHBondContact O-N 2.83Å; K12-I14 VanDerWaalsContact C-N 3.35Å; K12-I14 PolarHBondContact O-N 2.9Å; I14-E16 VanDerWaalsContact C-N 3.35Å; I14-E16 PolarHBondContact O-N 3.42Å; I14-N17 CarbonylContact O-C 3.51Å; I14-N17 PolarHBondContact O-N 2.74Å; I14-N17 VanDerWaalsContact O-N 3.13Å; I14-Q18 WeakPolarHBondContact O-CG 3.26Å; I14-Q18 PolarHBondContact O-N 2.89Å; I14-Q18 VanDerWaalsContact O-N 3.13Å; I14-F21 HydrophobicContact CB-CE2 4.24Å; I14-F21 HydrophobicContact CG2-CD2 4.39Å; I14-F21 HydrophobicContact CG2-CE2 3.71Å; I14-F21 HydrophobicContact CG2-CZ 4.45Å; I14-F21 WeakPolarHBondContact O-CE2 3.48Å; I14-F39 HydrophobicContact CD1-CD1 3.71Å; I14-F39 HydrophobicContact CD1-CE1 3.71Å; I14-F39 HydrophobicContact CD1-CG 4.33Å; I14-F39 HydrophobicContact CD1-CZ 4.32Å; I14-F39 HydrophobicContact CG1-CD1 4.05Å; I14-F39 HydrophobicContact CG1-CE1 4.32Å; I14-F39 HydrophobicContact CG1-CG 4.16Å; I14-L61 HydrophobicContact CD1-CD1 3.72Å; I14-V103 HydrophobicContact CD1-CG1 4.26Å; I14-V103 HydrophobicContact CG2-CG1 4.25Å; I14-V103 HydrophobicContact CG2-CG2 4.46Å
15A97.9Very high93.9Very high53 Ų5369 Ų6944%0.43838%0.376SS..Hα-helixtrans-60.5-41.8179.100000112.8E11 K12 W13 N17 Q18E11-A15 WeakPolarHBondContact O-CB 3.17Å; E11-A15 PolarHBondContact O-N 3.06Å; K12-A15 WeakPolarHBondContact O-CB 3.29Å; K12-A15 PolarHBondContact O-N 3.04Å; K12-A15 VanDerWaalsContact O-N 3.14Å; W13-A15 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 2.93Å; A15-Q18 WeakPolarHBondContact O-CG 3.46Å
16E97.8Very high95.2Very high150 Ų15064.8 Ų64.870%0.70135%0.35SS*.Hα-helixtrans-69.3-20177.4-71.7168.6-177.800113.2K12 W13 I14K12-E16 WeakPolarHBondContact O-CB 3.41Å; K12-E16 VanDerWaalsContact O-CG 3.29Å; K12-E16 WeakPolarHBondContact O-CG 3.33Å; K12-E16 PolarHBondContact O-N 2.95Å; W13-E16 PolarHBondContact O-N 2.99Å; I14-E16 VanDerWaalsContact C-N 3.35Å; I14-E16 PolarHBondContact O-N 3.42Å
17N97.4Very high95.7Very high25 Ų2566 Ų6613%0.13436%0.355CS..THydrogen-bonded Turntrans-115.618.1-175.3-67.8-80.2000113.6W13 I14 A15 D19 A20 F21 K28W13-N17 HydrophobicContact CZ3-CB 4.47Å; W13-N17 WeakPolarHBondContact O-CB 3.48Å; W13-N17 PolarHBondContact O-N 2.8Å; W13-N17 VanDerWaalsContact O-N 3.11Å; W13-N17 PolarHBondContact O-ND2 2.8Å; I14-N17 CarbonylContact O-C 3.51Å; I14-N17 PolarHBondContact O-N 2.74Å; I14-N17 VanDerWaalsContact O-N 3.13Å; A15-N17 PolarHBondContact O-N 2.93Å; N17-D19 PolarHBondContact O-N 2.93Å; N17-D19 VanDerWaalsContact O-N 3.13Å; N17-A20 WeakPolarHBondContact O-CB 3.49Å; N17-A20 PolarHBondContact O-N 2.74Å; N17-F21 HydrophobicContact CB-CE2 4.34Å; N17-F21 HydrophobicContact CB-CZ 4.14Å; N17-F21 WeakPolarHBondContact O-CE2 3.49Å; N17-K28 HydrophobicContact CB-CD 3.85Å; N17-K28 WeakPolarHBondContact OD1-CD 3.27Å; N17-K28 WeakPolarHBondContact OD1-CE 3.39Å; N17-K28 PolarHBondContact OD1-NZ 2.9Å
18Q95.6Very high95.7Very high122 Ų12267.7 Ų67.757%0.5736%0.36SS*.G310 helixtrans-52.2-38.9-174.7-77.7179.52.500114.1I14 A15 A20 F21I14-Q18 WeakPolarHBondContact O-CG 3.26Å; I14-Q18 PolarHBondContact O-N 2.89Å; I14-Q18 VanDerWaalsContact O-N 3.13Å; A15-Q18 WeakPolarHBondContact O-CG 3.46Å; Q18-A20 PolarHBondContact O-N 2.93Å; Q18-F21 WeakPolarHBondContact O-CB 3.35Å; Q18-F21 PolarHBondContact O-N 3.27Å
19D96.2Very high95.7Very high143 Ų14368.9 Ų68.977%0.76537%0.365SS*.G310 helixtrans-62.3-28.8-179.6-65.8-24.6000112.9N17 F21 L22N17-D19 PolarHBondContact O-N 2.93Å; N17-D19 VanDerWaalsContact O-N 3.13Å; D19-F21 PolarHBondContact O-N 2.99Å; D19-L22 PolarHBondContact O-N 2.81Å
20A96.6Very high95.7Very high18 Ų1867.8 Ų67.815%0.14936%0.359CS..G310 helixtrans-71.8-18.3178.300000112.7N17 Q18 L22 C26 N27 K28N17-A20 WeakPolarHBondContact O-CB 3.49Å; N17-A20 PolarHBondContact O-N 2.74Å; Q18-A20 PolarHBondContact O-N 2.93Å; A20-L22 VanDerWaalsContact C-N 3.27Å; A20-C26 CarbonylContact O-C 3.56Å; A20-C26 VanDerWaalsContact O-C 3.23Å; A20-C26 VanDerWaalsContact O-CA 3.28Å; A20-C26 WeakPolarHBondContact O-CA 3.49Å; A20-C26 PolarHBondContact O-N 2.82Å; A20-N27 PolarHBondContact O-N 2.96Å; A20-K28 HydrophobicContact CB-CB 3.86Å; A20-K28 HydrophobicContact CB-CD 3.98Å; A20-K28 HydrophobicContact CB-CG 4.43Å
21F96.8Very high95.6Very high8 Ų867.9 Ų67.94%0.03536%0.36CS..G310 helixtrans-88.34.3180-52-43.4000113W13 I14 N17 Q18 D19 K28 F39 G41 G42 V103W13-F21 HydrophobicContact CZ3-CE1 4.42Å; W13-F21 AromaticContact CZ3-CZ 3.89Å; W13-F21 HydrophobicContact CZ3-CZ 3.89Å; I14-F21 HydrophobicContact CB-CE2 4.24Å; I14-F21 HydrophobicContact CG2-CD2 4.39Å; I14-F21 HydrophobicContact CG2-CE2 3.71Å; I14-F21 HydrophobicContact CG2-CZ 4.45Å; I14-F21 WeakPolarHBondContact O-CE2 3.48Å; N17-F21 HydrophobicContact CB-CE2 4.34Å; N17-F21 HydrophobicContact CB-CZ 4.14Å; N17-F21 WeakPolarHBondContact O-CE2 3.49Å; Q18-F21 WeakPolarHBondContact O-CB 3.35Å; Q18-F21 PolarHBondContact O-N 3.27Å; D19-F21 PolarHBondContact O-N 2.99Å; F21-K28 HydrophobicContact CE1-CB 4.13Å; F21-F39 HydrophobicContact CD1-CB 4.45Å; F21-F39 HydrophobicContact CE1-CB 3.55Å; F21-F39 WeakPolarHBondContact CE1-O 3.37Å; F21-F39 HydrophobicContact CZ-CB 3.84Å; F21-G41 CarbonylContact O-C 3.54Å; F21-G41 WeakPolarHBondContact O-CA 3.38Å; F21-G42 PolarHBondContact O-N 2.94Å; F21-V103 HydrophobicContact CD2-CG2 4.22Å
22L94.8Very high95.5Very high78 Ų7865.3 Ų65.341%0.40835%0.346SS..SBendtrans-107.9157.6175.1-58.6176.7000110.7D19 A20 V25 C26D19-L22 PolarHBondContact O-N 2.81Å; A20-L22 VanDerWaalsContact C-N 3.27Å; L22-V25 PolarHBondContact O-N 3.08Å; L22-C26 PolarHBondContact O-N 3.46Å
23P93.3Very high95.3Very high72 Ų7260.7 Ų60.747%0.46833%0.331SS..THydrogen-bonded Turntrans-55.6146171.2-26.835.4000112.2C26 P43P23-C26 VanDerWaalsContact CA-SG 3.59Å; P23-C26 VanDerWaalsContact N-SG 3.42Å; P23-P43 HydrophobicContact CG-CG 4.12Å; P23-P43 WeakPolarHBondContact CG-O 3.19Å
24P86.3Confident95.3Very high133 Ų13359.7 Ų59.786%0.86433%0.328SS*.THydrogen-bonded Turncis-88.8-1.65.635.4-36.7000114.9
25V85Confident95.2Very high82 Ų8258.6 Ų58.650%0.49732%0.322SS..THydrogen-bonded Turntrans-85.9-49.6-171.4-171.50000111.1L22 N27L22-V25 PolarHBondContact O-N 3.08Å; V25-N27 VanDerWaalsContact CG1-O 3.29Å; V25-N27 WeakPolarHBondContact CG1-O 3.33Å; V25-N27 PolarHBondContact O-N 2.96Å; V25-N27 PolarHBondContact O-ND2 2.79Å
26C94.2Very high95.2Very high7 Ų756.8 Ų56.85%0.04731%0.305CS..  trans55.40.7178.9-65.80000116.9A20 L22 P23 V40 G41 N44A20-C26 CarbonylContact O-C 3.56Å; A20-C26 VanDerWaalsContact O-C 3.23Å; A20-C26 VanDerWaalsContact O-CA 3.28Å; A20-C26 WeakPolarHBondContact O-CA 3.49Å; A20-C26 PolarHBondContact O-N 2.82Å; L22-C26 PolarHBondContact O-N 3.46Å; P23-C26 VanDerWaalsContact CA-SG 3.59Å; P23-C26 VanDerWaalsContact N-SG 3.42Å; C26-V40 CarbonylContact O-C 3.59Å; C26-V40 WeakPolarHBondContact O-CA 2.95Å; C26-V40 VanDerWaalsContact O-CG1 3.24Å; C26-V40 WeakPolarHBondContact O-CG1 3.47Å; C26-G41 PolarHBondContact O-N 2.6Å; C26-N44 HydrophobicContact CB-CB 4.28Å
27N96.3Very high95.2Very high62 Ų6249.6 Ų49.633%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-151.6157.3179.975.793.6000112.3A20 V25 F39 V40A20-N27 PolarHBondContact O-N 2.96Å; V25-N27 VanDerWaalsContact CG1-O 3.29Å; V25-N27 WeakPolarHBondContact CG1-O 3.33Å; V25-N27 PolarHBondContact O-N 2.96Å; V25-N27 PolarHBondContact O-ND2 2.79Å; N27-F39 CarbonylContact C-O 3.55Å; N27-F39 VanDerWaalsContact CA-O 3.28Å; N27-F39 WeakPolarHBondContact CA-O 3.22Å; N27-V40 HydrophobicContact CB-CB 4.35Å; N27-V40 HydrophobicContact CB-CG1 4.07Å; N27-V40 HydrophobicContact CB-CG2 4.02Å
28K97Very high95.3Very high83 Ų8349.5 Ų49.536%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-149.8134.2168.3-167.9170.7-174.21500111.5W13 N17 A20 F21 M38 F39W13-K28 HydrophobicContact CH2-CB 3.76Å; W13-K28 HydrophobicContact CH2-CD 3.89Å; W13-K28 HydrophobicContact CH2-CG 3.66Å; W13-K28 HydrophobicContact CZ2-CD 3.9Å; W13-K28 HydrophobicContact CZ2-CG 3.91Å; N17-K28 HydrophobicContact CB-CD 3.85Å; N17-K28 WeakPolarHBondContact OD1-CD 3.27Å; N17-K28 WeakPolarHBondContact OD1-CE 3.39Å; N17-K28 PolarHBondContact OD1-NZ 2.9Å; A20-K28 HydrophobicContact CB-CB 3.86Å; A20-K28 HydrophobicContact CB-CD 3.98Å; A20-K28 HydrophobicContact CB-CG 4.43Å; F21-K28 HydrophobicContact CE1-CB 4.13Å; K28-M38 WeakPolarHBondContact O-CA 3.24Å; K28-F39 PolarHBondContact N-O 2.85Å; K28-F39 PolarHBondContact O-N 3.45Å
29L96.6Very high95.4Very high51 Ų5143.7 Ų43.727%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-75.7122.3170.4-74.7153.4000110.1H31 F32 L36 V37 M38L29-H31 WeakPolarHBondContact CD2-O 3.45Å; L29-F32 HydrophobicContact CD1-CB 4.22Å; L29-F32 HydrophobicContact CD1-CD2 3.5Å; L29-F32 VanDerWaalsContact CD1-CD2 3.5Å; L29-F32 HydrophobicContact CD1-CE2 4.17Å; L29-F32 HydrophobicContact CD1-CG 4.06Å; L29-F32 HydrophobicContact CD2-CD2 4.16Å; L29-F32 HydrophobicContact CG-CD2 4.42Å; L29-L36 HydrophobicContact CD2-CB 4.08Å; L29-V37 CarbonylContact C-O 3.38Å; L29-M38 HydrophobicContact CD2-CB 3.87Å; L29-M38 HydrophobicContact CD2-CE 4.22Å; L29-M38 HydrophobicContact CG-CB 4.22Å
30M97.3Very high95.5Very high3 Ų337.8 Ų37.82%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-75.6-43164.8-178.5-178.7-79.900110.2Q4 V8 V10 W13 V37 F39 W232Q4-M30 PolarHBondContact NE2-O 2.81Å; V8-M30 HydrophobicContact CB-SD 4.46Å; V8-M30 HydrophobicContact CG1-CE 4.01Å; V8-M30 HydrophobicContact CG1-SD 4.36Å; V10-M30 HydrophobicContact CG2-CE 4.33Å; W13-M30 HydrophobicContact CB-CE 3.83Å; W13-M30 HydrophobicContact CD2-CB 4.45Å; W13-M30 HydrophobicContact CD2-CE 3.53Å; W13-M30 HydrophobicContact CD2-CG 4.33Å; W13-M30 HydrophobicContact CE3-CE 3.6Å; W13-M30 HydrophobicContact CG-CE 3.64Å; W13-M30 HydrophobicContact CH2-CB 3.98Å; W13-M30 VanDerWaalsContact CZ2-CA 3.46Å; W13-M30 HydrophobicContact CZ2-CB 3.86Å; W13-M30 HydrophobicContact CZ2-CG 4.39Å; W13-M30 HydrophobicContact CZ3-CB 4.35Å; W13-M30 HydrophobicContact CZ3-CE 4.35Å; M30-V37 HydrophobicContact CB-CB 4.49Å; M30-V37 HydrophobicContact CB-CG1 4.25Å; M30-V37 PolarHBondContact N-O 2.79Å; M30-V37 HydrophobicContact SD-CG1 4.44Å; M30-F39 HydrophobicContact CB-CD2 4.45Å; M30-F39 HydrophobicContact CB-CE2 4.3Å; M30-F39 HydrophobicContact CE-CD2 4.2Å; M30-F39 HydrophobicContact CE-CE2 3.46Å; M30-F39 VanDerWaalsContact CE-CE2 3.46Å; M30-F39 HydrophobicContact CE-CZ 4.21Å; M30-F39 HydrophobicContact SD-CE2 4.08Å; M30-W232 HydrophobicContact SD-CZ2 4.36Å
31H96.6Very high95.6Very high3 Ų336.9 Ų36.91%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-132.6133.8176-59.6-66.4000110.3L29 V37 W232 L258L29-H31 WeakPolarHBondContact CD2-O 3.45Å; H31-V37 HydrophobicContact CB-CB 4.06Å; H31-V37 HydrophobicContact CB-CG2 4.11Å; H31-V37 PolarHBondContact N-O 3.13Å; H31-V37 PolarHBondContact O-N 2.77Å; H31-W232 AromaticContact CD2-CD1 3.74Å; H31-W232 AromaticContact CD2-NE1 3.66Å; H31-W232 AromaticContact NE2-CD1 3.86Å; H31-W232 AromaticContact NE2-NE1 3.61Å; H31-L258 HydrophobicContact CB-CD2 4.02Å
32F95.4Very high95.6Very high91 Ų9136.6 Ų36.640%0.39920%0.204SC..EExtended strand (participates in β ladder)trans-123.869.1176.4-171.4-116.1000109.4L29 L36 E138 N139L29-F32 HydrophobicContact CD1-CB 4.22Å; L29-F32 HydrophobicContact CD1-CD2 3.5Å; L29-F32 VanDerWaalsContact CD1-CD2 3.5Å; L29-F32 HydrophobicContact CD1-CE2 4.17Å; L29-F32 HydrophobicContact CD1-CG 4.06Å; L29-F32 HydrophobicContact CD2-CD2 4.16Å; L29-F32 HydrophobicContact CG-CD2 4.42Å; F32-L36 HydrophobicContact CD2-CD1 4.42Å; F32-L36 HydrophobicContact CD2-CD2 3.55Å; F32-L36 HydrophobicContact CE2-CD1 4.17Å; F32-L36 HydrophobicContact CE2-CD2 3.9Å; F32-L36 HydrophobicContact CG-CD2 4.37Å; F32-E138 WeakPolarHBondContact CZ-O 3.24Å; F32-N139 HydrophobicContact CZ-CB 4.03Å
33S94.6Very high95.7Very high34 Ų3436 Ų3624%0.23821%0.205CC..SBendtrans-120.1-136.6-173.3-63.10000111L35 R110 D230S33-L35 PolarHBondContact N-O 2.97Å; S33-R110 PolarHBondContact O-NE 2.81Å; S33-R110 PolarHBondContact O-NH2 3.45Å; S33-D230 WeakPolarHBondContact CB-OD2 3.43Å
34Q96.8Very high95.8Very high12 Ų1235.2 Ų35.26%0.05620%0.197CC..SBendtrans-72.4-38.7167.1-179.9-82.3-29.900109.5R109 R110 D230 Q280Q34-R109 CarbonylContact O-C 3.48Å; Q34-R109 WeakPolarHBondContact O-CA 3.26Å; Q34-R110 PolarHBondContact O-N 3.27Å; Q34-D230 WeakPolarHBondContact CA-OD2 3.4Å; Q34-D230 HydrophobicContact CB-CB 4.25Å; Q34-D230 WeakPolarHBondContact CB-OD2 3.42Å; Q34-D230 PolarHBondContact N-OD2 2.79Å; Q34-Q280 PolarHBondContact NE2-O 3Å
35L97.3Very high96.2Very high0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-94.7130.2168.8-164.263.6000109.5S33 V37 M107 D230 W232 Q280S33-L35 PolarHBondContact N-O 2.97Å; L35-V37 HydrophobicContact CD2-CG2 4.4Å; L35-V37 HydrophobicContact CG-CG2 4.29Å; L35-M107 HydrophobicContact CD1-CE 4.03Å; L35-M107 HydrophobicContact CD2-CE 3.27Å; L35-M107 HydrophobicContact CG-CE 3.61Å; L35-D230 HydrophobicContact CB-CB 3.71Å; L35-D230 PolarHBondContact N-OD2 2.88Å; L35-W232 HydrophobicContact CD2-CB 3.75Å; L35-Q280 HydrophobicContact CD1-CB 3.99Å; L35-Q280 HydrophobicContact CD1-CG 4.07Å
36L97.8Very high96.7Very high15 Ų1533.2 Ų33.28%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-99.9105.5177.9-50.8-168.7000107.7L29 F32 M38 M107 E108L29-L36 HydrophobicContact CD2-CB 4.08Å; F32-L36 HydrophobicContact CD2-CD1 4.42Å; F32-L36 HydrophobicContact CD2-CD2 3.55Å; F32-L36 HydrophobicContact CE2-CD1 4.17Å; F32-L36 HydrophobicContact CE2-CD2 3.9Å; F32-L36 HydrophobicContact CG-CD2 4.37Å; L36-M38 HydrophobicContact CB-CE 4.29Å; L36-M107 WeakPolarHBondContact O-CA 3.22Å; L36-E108 WeakPolarHBondContact CA-O 3.08Å; L36-E108 HydrophobicContact CB-CG 3.7Å; L36-E108 WeakPolarHBondContact CB-O 3.43Å; L36-E108 HydrophobicContact CD1-CG 3.89Å; L36-E108 HydrophobicContact CG-CG 4.13Å; L36-E108 PolarHBondContact N-O 3.02Å; L36-E108 PolarHBondContact O-N 3.25Å
37V98.3Very high96.8Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-103.6112.4-179.1-178.20000107.2L29 M30 H31 L35 F39 L105 M107 W232L29-V37 CarbonylContact C-O 3.38Å; M30-V37 HydrophobicContact CB-CB 4.49Å; M30-V37 HydrophobicContact CB-CG1 4.25Å; M30-V37 PolarHBondContact N-O 2.79Å; M30-V37 HydrophobicContact SD-CG1 4.44Å; H31-V37 HydrophobicContact CB-CB 4.06Å; H31-V37 HydrophobicContact CB-CG2 4.11Å; H31-V37 PolarHBondContact N-O 3.13Å; H31-V37 PolarHBondContact O-N 2.77Å; L35-V37 HydrophobicContact CD2-CG2 4.4Å; L35-V37 HydrophobicContact CG-CG2 4.29Å; V37-F39 HydrophobicContact CG1-CE2 4.43Å; V37-L105 HydrophobicContact CG1-CD1 3.89Å; V37-M107 HydrophobicContact CG2-CE 3.59Å; V37-W232 HydrophobicContact CG1-CD2 4.46Å; V37-W232 HydrophobicContact CG1-CZ2 4.2Å; V37-W232 HydrophobicContact CG2-CB 4.4Å; V37-W232 HydrophobicContact CG2-CD2 4.37Å; V37-W232 HydrophobicContact CG2-CG 4.05Å
38M97.9Very high96.9Very high23 Ų2336.4 Ų36.411%0.11319%0.186CC..EExtended strand (participates in β ladder)trans-131.9150.8-177.670.7-171.691.500113.1K28 L29 L36 V40 L105 V106 E108K28-M38 WeakPolarHBondContact O-CA 3.24Å; L29-M38 HydrophobicContact CD2-CB 3.87Å; L29-M38 HydrophobicContact CD2-CE 4.22Å; L29-M38 HydrophobicContact CG-CB 4.22Å; L36-M38 HydrophobicContact CB-CE 4.29Å; M38-V40 HydrophobicContact CG-CG2 4.02Å; M38-V40 HydrophobicContact SD-CG2 4.32Å; M38-L105 WeakPolarHBondContact O-CA 3.5Å; M38-V106 HydrophobicContact CG-CB 3.76Å; M38-V106 HydrophobicContact CG-CG1 4.43Å; M38-V106 WeakPolarHBondContact CG-O 3.28Å; M38-V106 PolarHBondContact N-O 2.93Å; M38-V106 PolarHBondContact O-N 2.92Å; M38-V106 VanDerWaalsContact O-O 3.13Å; M38-V106 HydrophobicContact SD-CB 4.35Å; M38-E108 HydrophobicContact CE-CG 3.74Å; M38-E108 WeakPolarHBondContact CE-OE2 3.49Å
39F98.6Very high97Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-112.7134.7170.8-67.5-88.9000109.2V10 W13 I14 F21 N27 K28 M30 V37 L61 V103 G104 L105V10-F39 HydrophobicContact CG1-CE1 3.96Å; V10-F39 HydrophobicContact CG1-CE2 4.38Å; V10-F39 HydrophobicContact CG1-CZ 3.53Å; W13-F39 AromaticContact CE3-CD2 4Å; W13-F39 HydrophobicContact CE3-CD2 4Å; W13-F39 HydrophobicContact CE3-CE2 4.45Å; W13-F39 HydrophobicContact CH2-CD2 4.32Å; W13-F39 HydrophobicContact CZ3-CB 4.14Å; W13-F39 AromaticContact CZ3-CD2 3.51Å; W13-F39 HydrophobicContact CZ3-CD2 3.51Å; W13-F39 HydrophobicContact CZ3-CE2 4.33Å; W13-F39 HydrophobicContact CZ3-CG 4.13Å; I14-F39 HydrophobicContact CD1-CD1 3.71Å; I14-F39 HydrophobicContact CD1-CE1 3.71Å; I14-F39 HydrophobicContact CD1-CG 4.33Å; I14-F39 HydrophobicContact CD1-CZ 4.32Å; I14-F39 HydrophobicContact CG1-CD1 4.05Å; I14-F39 HydrophobicContact CG1-CE1 4.32Å; I14-F39 HydrophobicContact CG1-CG 4.16Å; F21-F39 HydrophobicContact CD1-CB 4.45Å; F21-F39 HydrophobicContact CE1-CB 3.55Å; F21-F39 WeakPolarHBondContact CE1-O 3.37Å; F21-F39 HydrophobicContact CZ-CB 3.84Å; N27-F39 CarbonylContact C-O 3.55Å; N27-F39 VanDerWaalsContact CA-O 3.28Å; N27-F39 WeakPolarHBondContact CA-O 3.22Å; K28-F39 PolarHBondContact N-O 2.85Å; K28-F39 PolarHBondContact O-N 3.45Å; M30-F39 HydrophobicContact CB-CD2 4.45Å; M30-F39 HydrophobicContact CB-CE2 4.3Å; M30-F39 HydrophobicContact CE-CD2 4.2Å; M30-F39 HydrophobicContact CE-CE2 3.46Å; M30-F39 VanDerWaalsContact CE-CE2 3.46Å; M30-F39 HydrophobicContact CE-CZ 4.21Å; M30-F39 HydrophobicContact SD-CE2 4.08Å; V37-F39 HydrophobicContact CG1-CE2 4.43Å; F39-L61 HydrophobicContact CD1-CD1 4.14Å; F39-L61 HydrophobicContact CE1-CD1 3.57Å; F39-V103 HydrophobicContact CB-CG1 4.31Å; F39-V103 HydrophobicContact CD1-CG1 4.14Å; F39-G104 CarbonylContact C-O 3.56Å; F39-G104 WeakPolarHBondContact CA-O 3.34Å; F39-L105 HydrophobicContact CD1-CB 4.27Å; F39-L105 HydrophobicContact CE1-CB 3.86Å; F39-L105 HydrophobicContact CE1-CD1 4.01Å; F39-L105 HydrophobicContact CE1-CG 4.48Å; F39-L105 HydrophobicContact CE2-CD1 4.2Å; F39-L105 HydrophobicContact CZ-CB 4.48Å; F39-L105 HydrophobicContact CZ-CD1 3.82Å
40V98.3Very high97.1Very high18 Ų1831.1 Ų31.111%0.10916%0.161CC..EExtended strand (participates in β ladder)trans-129126.6-171.6-167.60000109.3C26 N27 M38 R98 V103 G104 V106C26-V40 CarbonylContact O-C 3.59Å; C26-V40 WeakPolarHBondContact O-CA 2.95Å; C26-V40 VanDerWaalsContact O-CG1 3.24Å; C26-V40 WeakPolarHBondContact O-CG1 3.47Å; N27-V40 HydrophobicContact CB-CB 4.35Å; N27-V40 HydrophobicContact CB-CG1 4.07Å; N27-V40 HydrophobicContact CB-CG2 4.02Å; M38-V40 HydrophobicContact CG-CG2 4.02Å; M38-V40 HydrophobicContact SD-CG2 4.32Å; V40-R98 VanDerWaalsContact CG1-CD 3.49Å; V40-R98 VanDerWaalsContact CG1-NE 3.25Å; V40-R98 PolarHBondContact O-NH1 2.84Å; V40-V103 WeakPolarHBondContact O-CA 3.5Å; V40-G104 PolarHBondContact N-O 3.39Å; V40-G104 PolarHBondContact O-N 2.83Å; V40-V106 HydrophobicContact CG2-CB 4.37Å; V40-V106 HydrophobicContact CG2-CG2 3.89Å
41G98.2Very high97.2Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-109.9-153.9174.700000113.8F21 C26 R98 T102F21-G41 CarbonylContact O-C 3.54Å; F21-G41 WeakPolarHBondContact O-CA 3.38Å; C26-G41 PolarHBondContact O-N 2.6Å; G41-R98 WeakPolarHBondContact O-CB 3.4Å; G41-R98 WeakPolarHBondContact O-CD 3.1Å; G41-T102 WeakPolarHBondContact CA-O 3.35Å
42G96.8Very high97.3Very high1 Ų131 Ų311%0.0116%0.16CC..SBendtrans-168.4179.2-176.800000113.2F21 K99F21-G42 PolarHBondContact O-N 2.94Å; G42-K99 CarbonylContact C-O 3.5Å; G42-K99 WeakPolarHBondContact CA-O 3.2Å
43P97.5Very high97.4Very high67 Ų6727.4 Ų27.444%0.43514%0.144SC..SBendcis-78.6137.416.630.3-34000112.9P23 R98 A100P23-P43 HydrophobicContact CG-CG 4.12Å; P23-P43 WeakPolarHBondContact CG-O 3.19Å; P43-R98 CarbonylContact C-O 3.23Å; P43-R98 WeakPolarHBondContact CA-O 3.43Å; P43-A100 HydrophobicContact CB-CB 4.31Å; P43-A100 HydrophobicContact CG-CB 4.22Å
44N95.8Very high97.5Very high55 Ų5525.9 Ų25.929%0.29413%0.134SC..BIsolated β-bridgetrans-146.1112170.9-17330.4000108.9C26 R98C26-N44 HydrophobicContact CB-CB 4.28Å; N44-R98 PolarHBondContact N-O 3.32Å; N44-R98 PolarHBondContact O-N 2.78Å
45T94.8Very high97.6Very high111 Ų11125.8 Ų25.868%0.68113%0.134SC*.  trans-122.7133.7175.654.90000108.6Q97T45-Q97 VanDerWaalsContact CA-OE1 3.29Å
46R95.4Very high97.7Very high61 Ų6126.3 Ų26.323%0.2314%0.136CC..  trans-142.5155.3-172.567.5-161.8-67.5-169.7-2.8110.7D48 S95 Q97R46-D48 IonicContact CZ-OD2 3.67Å; R46-D48 IonicContact NE-OD1 2.98Å; R46-D48 IonicContact NE-OD2 3.68Å; R46-D48 PolarHBondContact NE-OD2 3.36Å; R46-D48 IonicContact NH2-OD2 2.91Å; R46-D48 PolarHBondContact NH2-OD2 2.69Å; R46-S95 PolarHBondContact O-OG 3.44Å; R46-Q97 VanDerWaalsContact N-OE1 3.09Å; R46-Q97 PolarHBondContact O-NE2 3.13Å; R46-Q97 PolarHBondContact O-OE1 3.42Å
47K96.8Very high97.8Very high130 Ų13025.7 Ų25.757%0.56513%0.133SC*.  trans-101-19.4179.2-75.3-165.5172.8-161.10113Y49 Y121 D124K47-Y49 WeakPolarHBondContact O-CD2 3.44Å; K47-Y121 HydrophobicContact CB-CD1 4.02Å; K47-Y121 HydrophobicContact CB-CE1 4.14Å; K47-D124 IonicContact NZ-OD1 2.72Å; K47-D124 PolarHBondContact NZ-OD1 3.41Å; K47-D124 IonicContact NZ-OD2 3.78Å; K47-D124 PolarHBondContact NZ-OD2 2.85Å
48D97.9Very high97.8Very high7 Ų725.8 Ų25.84%0.03713%0.133CC..  trans-71.4143.1176.238.8-65.8000111.7R46 S95 L119 R120 Y121R46-D48 IonicContact CZ-OD2 3.67Å; R46-D48 IonicContact NE-OD1 2.98Å; R46-D48 IonicContact NE-OD2 3.68Å; R46-D48 PolarHBondContact NE-OD2 3.36Å; R46-D48 IonicContact NH2-OD2 2.91Å; R46-D48 PolarHBondContact NH2-OD2 2.69Å; D48-S95 WeakPolarHBondContact O-CB 3.34Å; D48-S95 PolarHBondContact O-OG 2.87Å; D48-L119 HydrophobicContact CB-CD1 3.77Å; D48-L119 HydrophobicContact CB-CD2 4.13Å; D48-L119 HydrophobicContact CB-CG 3.83Å; D48-R120 CarbonylContact C-O 3.5Å; D48-R120 WeakPolarHBondContact CA-O 3.37Å; D48-Y121 HydrophobicContact CB-CD1 4.03Å; D48-Y121 HydrophobicContact CB-CD2 4.3Å; D48-Y121 HydrophobicContact CB-CE1 3.48Å; D48-Y121 VanDerWaalsContact CB-CE1 3.48Å; D48-Y121 HydrophobicContact CB-CE2 3.81Å; D48-Y121 HydrophobicContact CB-CG 4.41Å; D48-Y121 VanDerWaalsContact N-CE1 3.35Å; D48-Y121 PolarHBondContact OD1-OH 3.26Å
49Y98.6Very high97.8Very high13 Ų1325.4 Ų25.45%0.05113%0.131CC..EExtended strand (participates in β ladder)trans-106127171.6-74.9-106.9000108.2K47 K68 I70 H75 P93 H94 R120 Y122K47-Y49 WeakPolarHBondContact O-CD2 3.44Å; Y49-K68 HydrophobicContact CE1-CB 4.2Å; Y49-K68 WeakPolarHBondContact OH-CB 3.25Å; Y49-I70 HydrophobicContact CD1-CD1 4.46Å; Y49-I70 HydrophobicContact CD1-CG1 4.04Å; Y49-I70 HydrophobicContact CE1-CD1 3.88Å; Y49-I70 HydrophobicContact CE1-CG1 3.9Å; Y49-H75 AromaticContact CZ-ND1 3.94Å; Y49-H75 PolarHBondContact OH-ND1 2.74Å; Y49-H75 VanDerWaalsContact OH-ND1 3.1Å; Y49-P93 HydrophobicContact CD1-CB 4.04Å; Y49-P93 HydrophobicContact CG-CB 4.49Å; Y49-H94 CarbonylContact C-O 3.41Å; Y49-H94 VanDerWaalsContact CA-O 3.24Å; Y49-H94 WeakPolarHBondContact CA-O 3.39Å; Y49-R120 PolarHBondContact N-O 2.77Å; Y49-R120 PolarHBondContact O-N 2.72Å; Y49-Y122 HydrophobicContact CD1-CE2 4.27Å; Y49-Y122 AromaticContact CD2-CD2 3.57Å; Y49-Y122 HydrophobicContact CD2-CD2 3.57Å; Y49-Y122 AromaticContact CD2-CE2 3.78Å; Y49-Y122 HydrophobicContact CD2-CE2 3.78Å; Y49-Y122 AromaticContact CE2-CD2 3.95Å; Y49-Y122 HydrophobicContact CE2-CD2 3.95Å; Y49-Y122 HydrophobicContact CE2-CE2 4.39Å; Y49-Y122 HydrophobicContact CG-CD2 4.03Å; Y49-Y122 AromaticContact CG-CE2 3.72Å; Y49-Y122 HydrophobicContact CG-CE2 3.72Å
50H98.7Very high97.8Very high10 Ų1025.4 Ų25.45%0.04613%0.131CC..EExtended strand (participates in β ladder)trans-90.4144.4170.1175.8-141.3000109.1E52 E56 P93 H94 D117 C118 L119H50-E52 IonicContact CE1-OE1 3.59Å; H50-E52 PolarHBondContact CE1-OE1 3.45Å; H50-E56 IonicContact CE1-OE1 3.45Å; H50-E56 IonicContact ND1-OE1 2.72Å; H50-P93 WeakPolarHBondContact O-CA 3.48Å; H50-H94 AromaticContact CG-CE1 3.92Å; H50-H94 AromaticContact CG-NE2 3.92Å; H50-H94 PolarHBondContact N-O 2.97Å; H50-H94 AromaticContact ND1-CE1 3.55Å; H50-H94 AromaticContact ND1-NE2 3.43Å; H50-H94 PolarHBondContact ND1-NE2 3.2Å; H50-H94 PolarHBondContact O-CE1 3.14Å; H50-H94 PolarHBondContact O-N 3.13Å; H50-H94 PolarHBondContact O-ND1 3.11Å; H50-H94 VanDerWaalsContact O-ND1 3.09Å; H50-D117 IonicContact CD2-OD2 2.72Å; H50-D117 IonicContact CE1-OD2 2.75Å; H50-D117 IonicContact NE2-OD2 2.85Å; H50-D117 PolarHBondContact NE2-OD2 2.9Å; H50-C118 CarbonylContact C-O 3.56Å; H50-C118 WeakPolarHBondContact CA-O 3.33Å; H50-C118 PolarHBondContact CD2-O 2.89Å; H50-L119 HydrophobicContact CB-CD1 4.32Å
51I98.6Very high97.8Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-134.1125.6177-43.7172.8000105.7P93 D117 C118 R120 F173 M175I51-P93 HydrophobicContact CD1-CB 4.15Å; I51-P93 HydrophobicContact CD1-CG 3.91Å; I51-P93 HydrophobicContact CG1-CB 3.84Å; I51-P93 HydrophobicContact CG1-CG 3.96Å; I51-D117 CarbonylContact O-C 3.55Å; I51-D117 VanDerWaalsContact O-CA 3.28Å; I51-D117 WeakPolarHBondContact O-CA 3.39Å; I51-C118 HydrophobicContact CB-CB 4.08Å; I51-C118 HydrophobicContact CD1-CB 4.14Å; I51-C118 HydrophobicContact CG1-CB 4.32Å; I51-C118 PolarHBondContact N-O 2.75Å; I51-C118 PolarHBondContact O-N 2.76Å; I51-R120 HydrophobicContact CD1-CB 4.47Å; I51-F173 HydrophobicContact CG2-CE2 3.96Å; I51-F173 HydrophobicContact CG2-CZ 3.9Å; I51-M175 HydrophobicContact CD1-CE 3.98Å; I51-M175 HydrophobicContact CD1-SD 4.49Å; I51-M175 HydrophobicContact CG2-CE 4.25Å; I51-M175 HydrophobicContact CG2-SD 4.11Å
52E98.4Very high97.9Very high3 Ų332.2 Ų32.21%0.01416%0.161CC..  trans-136.1168.8174.364.116093.800111.1H50 G54 R91 R111H50-E52 IonicContact CE1-OE1 3.59Å; H50-E52 PolarHBondContact CE1-OE1 3.45Å; E52-G54 VanDerWaalsContact OE2-CA 3.29Å; E52-G54 WeakPolarHBondContact OE2-CA 3.44Å; E52-G54 PolarHBondContact OE2-N 3.38Å; E52-R91 WeakPolarHBondContact O-CA 3.4Å; E52-R91 PolarHBondContact O-N 2.91Å; E52-R111 VanDerWaalsContact CD-CZ 3.44Å; E52-R111 IonicContact OE1-CZ 3.59Å; E52-R111 VanDerWaalsContact OE1-CZ 3.27Å; E52-R111 IonicContact OE1-NH1 2.67Å; E52-R111 IonicContact OE1-NH2 3.59Å; E52-R111 PolarHBondContact OE1-NH2 2.88Å; E52-R111 IonicContact OE2-CZ 3.54Å; E52-R111 IonicContact OE2-NE 3.64Å; E52-R111 IonicContact OE2-NH1 3.58Å; E52-R111 PolarHBondContact OE2-NH1 3.38Å; E52-R111 IonicContact OE2-NH2 3.52Å; E52-R111 PolarHBondContact OE2-NH2 3.03Å
53E98.2Very high97.9Very high16 Ų1633 Ų338%0.07517%0.169CC..SBendtrans-95-9.2179.7-63.8-171.2-117.700114.4A90 R91 E115 T116 F173 K285E53-A90 WeakPolarHBondContact O-CB 3.47Å; E53-R91 HydrophobicContact CG-CG 4.32Å; E53-R91 IonicContact OE2-NH2 3.85Å; E53-E115 HydrophobicContact CB-CB 4.3Å; E53-E115 HydrophobicContact CB-CG 3.89Å; E53-E115 HydrophobicContact CG-CG 4.4Å; E53-E115 WeakPolarHBondContact OE1-CA 3.33Å; E53-T116 PolarHBondContact OE1-N 3.46Å; E53-F173 HydrophobicContact CG-CD1 3.39Å; E53-F173 HydrophobicContact CG-CE1 3.27Å; E53-F173 HydrophobicContact CG-CG 4.21Å; E53-F173 HydrophobicContact CG-CZ 4.01Å; E53-F173 WeakPolarHBondContact OE1-CD1 3.23Å; E53-K285 VanDerWaalsContact CB-NZ 3.34Å; E53-K285 WeakPolarHBondContact O-CE 3.45Å; E53-K285 IonicContact OE2-NZ 3.61Å; E53-K285 PolarHBondContact OE2-NZ 3.44Å
54G97.9Very high98Very high2 Ų233.3 Ų33.32%0.02117%0.167CC..SBendtrans-85.9173.8167.400000111.9E52 A90E52-G54 VanDerWaalsContact OE2-CA 3.29Å; E52-G54 WeakPolarHBondContact OE2-CA 3.44Å; E52-G54 PolarHBondContact OE2-N 3.38Å; G54-A90 WeakPolarHBondContact O-CA 3.02Å; G54-A90 WeakPolarHBondContact O-CB 3.33Å
55E98.6Very high98.1Very high10 Ų1030.9 Ų30.95%0.04715%0.154CC..  trans-98155.3172.4-67.4178.6170.900110.8L87 L88 A90 F210 E211 T212 Q280E55-L87 HydrophobicContact CB-CD1 4.21Å; E55-L88 WeakPolarHBondContact CA-O 3.37Å; E55-L88 WeakPolarHBondContact CB-O 3.47Å; E55-A90 HydrophobicContact CG-CB 4.33Å; E55-F210 WeakPolarHBondContact OE1-CA 3.4Å; E55-F210 WeakPolarHBondContact OE1-CB 3.24Å; E55-F210 WeakPolarHBondContact OE1-CD1 3.18Å; E55-E211 HydrophobicContact CG-CB 4.2Å; E55-E211 PolarHBondContact OE1-N 2.98Å; E55-E211 PolarHBondContact OE2-N 3.43Å; E55-T212 WeakPolarHBondContact CB-OG1 3.41Å; E55-T212 WeakPolarHBondContact OE2-CA 3.32Å; E55-T212 WeakPolarHBondContact OE2-CB 3.41Å; E55-T212 PolarHBondContact OE2-N 2.83Å; E55-T212 PolarHBondContact OE2-OG1 3.13Å; E55-Q280 PolarHBondContact O-NE2 3.4Å
56E98.8Very high98.3Very high11 Ų1126.5 Ų26.55%0.05113%0.128CC..EExtended strand (participates in β ladder)trans-121.7121.3176.5-74.4-178.9-13000111.5H50 F58 L88 H94 M107 E108H50-E56 IonicContact CE1-OE1 3.45Å; H50-E56 IonicContact ND1-OE1 2.72Å; E56-F58 HydrophobicContact CB-CD2 4.31Å; E56-F58 HydrophobicContact CB-CE2 3.52Å; E56-F58 HydrophobicContact CB-CZ 4.03Å; E56-F58 WeakPolarHBondContact O-CD2 3.48Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.48Å; E56-L88 HydrophobicContact CB-CB 4.25Å; E56-L88 PolarHBondContact N-O 3.37Å; E56-L88 VanDerWaalsContact N-O 3.16Å; E56-L88 PolarHBondContact O-N 2.9Å; E56-H94 IonicContact OE1-CE1 2.77Å; E56-H94 PolarHBondContact OE1-CE1 3.24Å; E56-H94 IonicContact OE1-NE2 3.39Å; E56-H94 PolarHBondContact OE1-NE2 3.05Å; E56-H94 IonicContact OE2-NE2 3.72Å; E56-M107 WeakPolarHBondContact CA-O 3.45Å; E56-E108 HydrophobicContact CG-CB 4.17Å
57L98.9Very high98.5Very high1 Ų123.6 Ų23.61%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-88.6128.3171.7176.667.4000110L87 V106 M107 F206 V214 V278L57-L87 HydrophobicContact CB-CD1 4.25Å; L57-V106 CarbonylContact O-C 3.58Å; L57-V106 VanDerWaalsContact O-CA 3.24Å; L57-V106 WeakPolarHBondContact O-CA 3.31Å; L57-M107 HydrophobicContact CB-CB 4.21Å; L57-M107 HydrophobicContact CD2-SD 4.23Å; L57-M107 PolarHBondContact N-O 2.85Å; L57-M107 PolarHBondContact O-N 3.3Å; L57-F206 HydrophobicContact CD1-CE2 3.74Å; L57-F206 HydrophobicContact CD1-CZ 3.84Å; L57-V214 HydrophobicContact CD1-CG2 4.01Å; L57-V214 HydrophobicContact CD2-CG2 3.75Å; L57-V214 HydrophobicContact CG-CG2 4.45Å; L57-V278 HydrophobicContact CD2-CG1 4.15Å; L57-V278 HydrophobicContact CD2-CG2 3.91Å
58F98.9Very high98.6Very high3 Ų321 Ų211%0.01311%0.106CC..EExtended strand (participates in β ladder)trans-113.8132.8173.2-63.5-96.3000110.3E56 M65 L67 I80 M85 F86 L88 L105 V106E56-F58 HydrophobicContact CB-CD2 4.31Å; E56-F58 HydrophobicContact CB-CE2 3.52Å; E56-F58 HydrophobicContact CB-CZ 4.03Å; E56-F58 WeakPolarHBondContact O-CD2 3.48Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.48Å; F58-M65 HydrophobicContact CD1-CE 4.1Å; F58-M65 HydrophobicContact CD1-SD 3.99Å; F58-M65 HydrophobicContact CE1-CE 4.19Å; F58-L67 HydrophobicContact CD2-CD2 4.31Å; F58-L67 HydrophobicContact CE1-CD1 4.27Å; F58-L67 HydrophobicContact CE2-CD2 3.84Å; F58-L67 HydrophobicContact CZ-CD1 4Å; F58-L67 HydrophobicContact CZ-CD2 4.02Å; F58-I80 HydrophobicContact CB-CD1 3.9Å; F58-I80 HydrophobicContact CG-CD1 4.17Å; F58-M85 CarbonylContact O-C 3.52Å; F58-M85 WeakPolarHBondContact O-CA 3.4Å; F58-F86 HydrophobicContact CB-CB 4.42Å; F58-F86 AromaticContact CD2-CD1 3.88Å; F58-F86 HydrophobicContact CD2-CD1 3.88Å; F58-F86 HydrophobicContact CD2-CE1 4.43Å; F58-F86 HydrophobicContact CG-CD1 4.48Å; F58-F86 PolarHBondContact N-O 3.21Å; F58-F86 PolarHBondContact O-N 3.42Å; F58-L88 HydrophobicContact CE2-CB 4.03Å; F58-L88 HydrophobicContact CE2-CD2 4.5Å; F58-L105 WeakPolarHBondContact CA-O 3.44Å; F58-V106 HydrophobicContact CD1-CG2 3.82Å; F58-V106 HydrophobicContact CE1-CG1 4.35Å; F58-V106 HydrophobicContact CE1-CG2 3.87Å
59F98.9Very high98.6Very high15 Ų1520.7 Ų20.77%0.06610%0.104CC..EExtended strand (participates in β ladder)trans-140.5113.5170.4-179.1-154.5000110.7L61 E84 M85 G104 L105 F186 W234 M236F59-L61 HydrophobicContact CD1-CD2 3.69Å; F59-L61 HydrophobicContact CD2-CD2 4.45Å; F59-L61 HydrophobicContact CE1-CD2 3.59Å; F59-L61 HydrophobicContact CE2-CD2 4.38Å; F59-L61 HydrophobicContact CG-CD2 4.13Å; F59-L61 HydrophobicContact CZ-CD2 3.97Å; F59-L61 PolarHBondContact O-N 2.85Å; F59-E84 WeakPolarHBondContact CD2-O 3.45Å; F59-M85 HydrophobicContact CB-CE 4.44Å; F59-M85 HydrophobicContact CB-CG 3.9Å; F59-M85 HydrophobicContact CD1-CE 3.41Å; F59-M85 VanDerWaalsContact CD1-CE 3.41Å; F59-M85 HydrophobicContact CD1-CG 4.35Å; F59-M85 HydrophobicContact CD2-CE 4.02Å; F59-M85 HydrophobicContact CD2-CG 3.43Å; F59-M85 VanDerWaalsContact CD2-CG 3.43Å; F59-M85 HydrophobicContact CE1-CE 3.46Å; F59-M85 VanDerWaalsContact CE1-CE 3.46Å; F59-M85 HydrophobicContact CE2-CE 4.06Å; F59-M85 HydrophobicContact CE2-CG 3.99Å; F59-M85 HydrophobicContact CG-CE 3.71Å; F59-M85 HydrophobicContact CG-CG 3.64Å; F59-M85 HydrophobicContact CZ-CE 3.8Å; F59-G104 CarbonylContact O-C 3.6Å; F59-G104 WeakPolarHBondContact O-CA 3.36Å; F59-L105 HydrophobicContact CB-CB 4.22Å; F59-L105 HydrophobicContact CB-CD2 4.41Å; F59-L105 HydrophobicContact CD1-CD2 4.46Å; F59-L105 PolarHBondContact N-O 3.03Å; F59-L105 PolarHBondContact O-N 3.2Å; F59-F186 HydrophobicContact CE2-CB 4.05Å; F59-F186 HydrophobicContact CZ-CB 4.25Å; F59-F186 AromaticContact CZ-CD1 3.97Å; F59-F186 HydrophobicContact CZ-CD1 3.97Å; F59-F186 HydrophobicContact CZ-CG 4.35Å; F59-W234 AromaticContact CD1-CZ3 3.97Å; F59-W234 HydrophobicContact CD1-CZ3 3.97Å; F59-W234 HydrophobicContact CE1-CH2 4.28Å; F59-W234 AromaticContact CE1-CZ3 3.9Å; F59-W234 HydrophobicContact CE1-CZ3 3.9Å; F59-M236 HydrophobicContact CE1-CE 4.27Å
60Q98.8Very high98.6Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-80.3116.1-179.2-80.9-59.6112.800111.3K62 G63 M65 I80 K81 G83 E84 G104Q60-K62 PolarHBondContact NE2-O 2.72Å; Q60-G63 PolarHBondContact NE2-O 3.4Å; Q60-M65 HydrophobicContact CG-CG 3.86Å; Q60-M65 HydrophobicContact CG-SD 4.4Å; Q60-M65 PolarHBondContact OE1-SD 3.47Å; Q60-M65 VanDerWaalsContact OE1-SD 3.41Å; Q60-I80 HydrophobicContact CB-CG2 4.41Å; Q60-I80 HydrophobicContact CG-CB 4.33Å; Q60-I80 HydrophobicContact CG-CG2 3.86Å; Q60-K81 VanDerWaalsContact CB-O 3.29Å; Q60-K81 WeakPolarHBondContact CB-O 3.3Å; Q60-G83 WeakPolarHBondContact O-CA 3.34Å; Q60-G83 PolarHBondContact O-N 2.7Å; Q60-E84 PolarHBondContact N-O 3.49Å; Q60-E84 VanDerWaalsContact N-O 3.16Å; Q60-G104 VanDerWaalsContact OE1-CA 3.28Å
61L98.4Very high98.5Very high50 Ų5021.7 Ų21.726%0.26211%0.109SC..EExtended strand (participates in β ladder)trans-90.9-32.7177.6-57.7-169.3000112.5V10 I14 F39 F59 V103 W234V10-L61 HydrophobicContact CG1-CD1 4.5Å; I14-L61 HydrophobicContact CD1-CD1 3.72Å; F39-L61 HydrophobicContact CD1-CD1 4.14Å; F39-L61 HydrophobicContact CE1-CD1 3.57Å; F59-L61 HydrophobicContact CD1-CD2 3.69Å; F59-L61 HydrophobicContact CD2-CD2 4.45Å; F59-L61 HydrophobicContact CE1-CD2 3.59Å; F59-L61 HydrophobicContact CE2-CD2 4.38Å; F59-L61 HydrophobicContact CG-CD2 4.13Å; F59-L61 HydrophobicContact CZ-CD2 3.97Å; F59-L61 PolarHBondContact O-N 2.85Å; L61-V103 PolarHBondContact N-O 3.18Å; L61-W234 HydrophobicContact CD1-CH2 3.79Å; L61-W234 HydrophobicContact CD2-CH2 3.66Å; L61-W234 HydrophobicContact CD2-CZ3 4.14Å; L61-W234 HydrophobicContact CG-CH2 4.38Å
62K98.5Very high98.4Very high110 Ų11025.2 Ų25.248%0.47813%0.129SC..EExtended strand (participates in β ladder)trans-143.1127177.4-174.9-179.7176-178.60110.8Q60 E82 N101 T102 V103Q60-K62 PolarHBondContact NE2-O 2.72Å; K62-E82 WeakPolarHBondContact CA-OE2 3.32Å; K62-N101 VanDerWaalsContact CE-O 3.29Å; K62-N101 WeakPolarHBondContact CE-O 3.19Å; K62-T102 CarbonylContact O-C 3.58Å; K62-T102 WeakPolarHBondContact O-CA 3.47Å; K62-T102 WeakPolarHBondContact O-CB 3.41Å; K62-V103 HydrophobicContact CB-CB 4.25Å; K62-V103 PolarHBondContact N-O 2.79Å; K62-V103 PolarHBondContact O-N 2.75Å
63G98.4Very high98.2Very high18 Ų1827.2 Ų27.219%0.18615%0.149CC..SBendtrans62.4-178-179.600000114.3Q60 E82Q60-G63 PolarHBondContact NE2-O 3.4Å; G63-E82 PolarHBondContact N-OE2 3.25Å; G63-E82 PolarHBondContact O-N 3.16Å
64D98.7Very high98.2Very high73 Ų7331 Ų3139%0.3917%0.174SC..  trans-101.8153.1-172.8-52.5-24.2000111.9K81 E82D64-K81 VanDerWaalsContact OD1-CA 3.25Å; D64-K81 WeakPolarHBondContact OD1-CA 3.36Å; D64-E82 PolarHBondContact OD1-N 3.32Å
65M98.8Very high98.2Very high5 Ų534.3 Ų34.33%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-128.6163.7166.769.8170.1-71.300111.6F58 Q60 L67 I80 P96 Q97 R98F58-M65 HydrophobicContact CD1-CE 4.1Å; F58-M65 HydrophobicContact CD1-SD 3.99Å; F58-M65 HydrophobicContact CE1-CE 4.19Å; Q60-M65 HydrophobicContact CG-CG 3.86Å; Q60-M65 HydrophobicContact CG-SD 4.4Å; Q60-M65 PolarHBondContact OE1-SD 3.47Å; Q60-M65 VanDerWaalsContact OE1-SD 3.41Å; M65-L67 HydrophobicContact CE-CB 4.14Å; M65-L67 HydrophobicContact CE-CD1 4.35Å; M65-I80 HydrophobicContact CE-CD1 4.44Å; M65-I80 HydrophobicContact CG-CB 3.87Å; M65-I80 HydrophobicContact CG-CD1 4.22Å; M65-I80 HydrophobicContact CG-CG1 4.44Å; M65-I80 PolarHBondContact N-O 2.78Å; M65-I80 PolarHBondContact O-N 3.2Å; M65-I80 HydrophobicContact SD-CD1 4.1Å; M65-P96 HydrophobicContact CE-CB 3.87Å; M65-Q97 WeakPolarHBondContact CB-O 3.44Å; M65-R98 HydrophobicContact CB-CG 4.22Å; M65-R98 VanDerWaalsContact SD-CZ 3.58Å; M65-R98 PolarHBondContact SD-NH2 3.01Å
66C98.8Very high98.2Very high19 Ų1937.2 Ų37.213%0.12820%0.201CC..EExtended strand (participates in β ladder)trans-119.4123.3167176.60000108.5V78 Q97C66-V78 CarbonylContact C-O 3.53Å; C66-V78 WeakPolarHBondContact CA-O 3.2Å; C66-Q97 HydrophobicContact CB-CB 4.28Å; C66-Q97 PolarHBondContact N-O 3.23Å; C66-Q97 WeakPolarHBondContact O-CA 3.45Å; C66-Q97 VanDerWaalsContact O-CB 3.26Å; C66-Q97 WeakPolarHBondContact O-CB 3.45Å; C66-Q97 WeakPolarHBondContact O-CG 3.37Å; C66-Q97 PolarHBondContact O-N 2.92Å
67L98.9Very high98.2Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-98.3105.8169.9-174.269.5000107.8F58 M65 V69 V78 I80 F86 L88 H94 P96F58-L67 HydrophobicContact CD2-CD2 4.31Å; F58-L67 HydrophobicContact CE1-CD1 4.27Å; F58-L67 HydrophobicContact CE2-CD2 3.84Å; F58-L67 HydrophobicContact CZ-CD1 4Å; F58-L67 HydrophobicContact CZ-CD2 4.02Å; M65-L67 HydrophobicContact CE-CB 4.14Å; M65-L67 HydrophobicContact CE-CD1 4.35Å; L67-V69 HydrophobicContact CD2-CG1 4.11Å; L67-V69 HydrophobicContact CG-CG1 4Å; L67-V78 HydrophobicContact CB-CB 4.3Å; L67-V78 PolarHBondContact N-O 3.04Å; L67-V78 WeakPolarHBondContact O-CB 3.44Å; L67-V78 PolarHBondContact O-N 2.77Å; L67-I80 HydrophobicContact CB-CD1 4.22Å; L67-F86 HydrophobicContact CD2-CD1 4.08Å; L67-F86 HydrophobicContact CD2-CE1 3.54Å; L67-F86 HydrophobicContact CD2-CZ 4.48Å; L67-L88 HydrophobicContact CD2-CD1 4.23Å; L67-L88 HydrophobicContact CD2-CD2 4.39Å; L67-H94 HydrophobicContact CD1-CB 4Å; L67-H94 HydrophobicContact CD2-CB 4.45Å; L67-H94 HydrophobicContact CG-CB 4.24Å; L67-P96 HydrophobicContact CD1-CB 3.88Å
68K98.7Very high98.2Very high76 Ų7640.8 Ų40.833%0.3322%0.221SC..EExtended strand (participates in β ladder)trans-75.6132.2172.9-55.5-169.8166-167.70108.3Y49 K76 D77 H94 S95 Q97Y49-K68 HydrophobicContact CE1-CB 4.2Å; Y49-K68 WeakPolarHBondContact OH-CB 3.25Å; K68-K76 CarbonylContact C-O 3.56Å; K68-K76 WeakPolarHBondContact CA-O 3.49Å; K68-D77 WeakPolarHBondContact CG-OD1 3.32Å; K68-H94 CarbonylContact O-C 3.52Å; K68-H94 WeakPolarHBondContact O-CA 3.12Å; K68-S95 PolarHBondContact N-O 2.86Å; K68-S95 PolarHBondContact O-N 2.98Å; K68-Q97 HydrophobicContact CD-CG 4.21Å; K68-Q97 HydrophobicContact CG-CG 3.95Å
69V98.7Very high98.2Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-128160.4178.1-57.80000110.9L67 E71 H75 K76 V78 L88 I92 P93 H94 V180L67-V69 HydrophobicContact CD2-CG1 4.11Å; L67-V69 HydrophobicContact CG-CG1 4Å; V69-E71 HydrophobicContact CG2-CB 4.32Å; V69-H75 WeakPolarHBondContact O-CA 3.4Å; V69-K76 HydrophobicContact CG2-CB 3.88Å; V69-K76 HydrophobicContact CG2-CD 4.49Å; V69-K76 HydrophobicContact CG2-CG 4.33Å; V69-K76 PolarHBondContact N-O 2.78Å; V69-K76 PolarHBondContact O-N 3.12Å; V69-V78 HydrophobicContact CG1-CG2 4.33Å; V69-V78 HydrophobicContact CG2-CG2 4.01Å; V69-L88 HydrophobicContact CG1-CD1 4.06Å; V69-I92 HydrophobicContact CB-CG2 3.95Å; V69-I92 HydrophobicContact CG1-CG2 4.3Å; V69-P93 CarbonylContact C-O 3.58Å; V69-P93 WeakPolarHBondContact CA-O 3.22Å; V69-H94 HydrophobicContact CG1-CB 3.97Å; V69-V180 HydrophobicContact CG2-CG2 4.33Å
70I98.3Very high98.2Very high13 Ų1345.4 Ų45.47%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-101.996.2163.1-52.5-58.2000107.6Y49 V74 H75 P93 Y122 T127Y49-I70 HydrophobicContact CD1-CD1 4.46Å; Y49-I70 HydrophobicContact CD1-CG1 4.04Å; Y49-I70 HydrophobicContact CE1-CD1 3.88Å; Y49-I70 HydrophobicContact CE1-CG1 3.9Å; I70-V74 CarbonylContact C-O 3.55Å; I70-V74 WeakPolarHBondContact CA-O 3.46Å; I70-H75 HydrophobicContact CD1-CB 4.49Å; I70-H75 WeakPolarHBondContact CD1-CE1 3.28Å; I70-H75 VanDerWaalsContact CD1-ND1 3.31Å; I70-H75 WeakPolarHBondContact CD1-ND1 3.29Å; I70-P93 HydrophobicContact CB-CB 4.07Å; I70-P93 HydrophobicContact CB-CG 4.05Å; I70-P93 HydrophobicContact CG1-CB 3.9Å; I70-P93 HydrophobicContact CG1-CG 4.32Å; I70-P93 PolarHBondContact N-O 3.34Å; I70-Y122 HydrophobicContact CD1-CE2 4.31Å; I70-Y122 HydrophobicContact CG1-CE2 3.93Å; I70-T127 HydrophobicContact CD1-CG2 4.09Å; I70-T127 HydrophobicContact CG2-CG2 4.07Å
71E97.4Very high98.2Very high30 Ų3050.9 Ų50.914%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-93.4118.4176.4175.5178.6-94.700108.6V69 G73 V74 K76 N179 V180V69-E71 HydrophobicContact CG2-CB 4.32Å; E71-G73 PolarHBondContact O-N 3.02Å; E71-G73 VanDerWaalsContact O-N 3.13Å; E71-V74 PolarHBondContact N-O 2.92Å; E71-V74 PolarHBondContact O-N 3Å; E71-K76 HydrophobicContact CB-CB 4.43Å; E71-K76 HydrophobicContact CB-CD 4.17Å; E71-K76 IonicContact OE1-NZ 2.74Å; E71-K76 PolarHBondContact OE1-NZ 3.37Å; E71-K76 WeakPolarHBondContact OE2-CD 3.5Å; E71-K76 IonicContact OE2-NZ 3.88Å; E71-K76 PolarHBondContact OE2-NZ 3.1Å; E71-N179 VanDerWaalsContact OE1-CA 3.27Å; E71-N179 WeakPolarHBondContact OE1-CA 3.4Å; E71-V180 VanDerWaalsContact OE1-CG2 3.27Å; E71-V180 WeakPolarHBondContact OE1-CG2 3.19Å; E71-V180 PolarHBondContact OE1-N 3.47Å
72N95.6Very high98.2Very high75 Ų7554 Ų5440%0.40128%0.279SS..THydrogen-bonded Turntrans51.639.3177-69.5-46.2000113.8V74 T177 N179N72-V74 VanDerWaalsContact C-N 3.31Å; N72-V74 PolarHBondContact O-N 3.44Å; N72-T177 PolarHBondContact ND2-O 3.29Å; N72-T177 VanDerWaalsContact OD1-C 3.22Å; N72-T177 WeakPolarHBondContact OD1-CA 3.37Å; N72-T177 VanDerWaalsContact OD1-CB 3.3Å; N72-T177 WeakPolarHBondContact OD1-CB 3.26Å; N72-T177 PolarHBondContact OD1-O 2.79Å; N72-N179 PolarHBondContact ND2-OD1 2.87Å
73G95.3Very high98.2Very high44 Ų4450.1 Ų50.145%0.45427%0.27SS..THydrogen-bonded Turntrans77.911.2-179.500000114.8E71 T127E71-G73 PolarHBondContact O-N 3.02Å; E71-G73 VanDerWaalsContact O-N 3.13Å; G73-T127 WeakPolarHBondContact O-CG2 3.37Å; G73-T127 PolarHBondContact O-OG1 3.02Å
74V97Very high98.2Very high97 Ų9750.9 Ų50.959%0.58827%0.269SS*.EExtended strand (participates in β ladder)trans-123.8137-178.9-175.20000110.6I70 E71 N72 K76I70-V74 CarbonylContact C-O 3.55Å; I70-V74 WeakPolarHBondContact CA-O 3.46Å; E71-V74 PolarHBondContact N-O 2.92Å; E71-V74 PolarHBondContact O-N 3Å; N72-V74 VanDerWaalsContact C-N 3.31Å; N72-V74 PolarHBondContact O-N 3.44Å; V74-K76 PolarHBondContact O-N 2.7Å
75H98.1Very high98.2Very high71 Ų7147.4 Ų47.433%0.32925%0.251SS..EExtended strand (participates in β ladder)trans-64.4133172.3-71.9-94.1000111.1Y49 V69 I70 T126Y49-H75 AromaticContact CZ-ND1 3.94Å; Y49-H75 PolarHBondContact OH-ND1 2.74Å; Y49-H75 VanDerWaalsContact OH-ND1 3.1Å; V69-H75 WeakPolarHBondContact O-CA 3.4Å; I70-H75 HydrophobicContact CD1-CB 4.49Å; I70-H75 WeakPolarHBondContact CD1-CE1 3.28Å; I70-H75 VanDerWaalsContact CD1-ND1 3.31Å; I70-H75 WeakPolarHBondContact CD1-ND1 3.29Å; H75-T126 PolarHBondContact NE2-O 3.28Å
76K98.1Very high98.2Very high70 Ų7047.2 Ų47.230%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-140.6136176.4177.2175.2178.8179.30110.5K68 V69 E71 V74 V180K68-K76 CarbonylContact C-O 3.56Å; K68-K76 WeakPolarHBondContact CA-O 3.49Å; V69-K76 HydrophobicContact CG2-CB 3.88Å; V69-K76 HydrophobicContact CG2-CD 4.49Å; V69-K76 HydrophobicContact CG2-CG 4.33Å; V69-K76 PolarHBondContact N-O 2.78Å; V69-K76 PolarHBondContact O-N 3.12Å; E71-K76 HydrophobicContact CB-CB 4.43Å; E71-K76 HydrophobicContact CB-CD 4.17Å; E71-K76 IonicContact OE1-NZ 2.74Å; E71-K76 PolarHBondContact OE1-NZ 3.37Å; E71-K76 WeakPolarHBondContact OE2-CD 3.5Å; E71-K76 IonicContact OE2-NZ 3.88Å; E71-K76 PolarHBondContact OE2-NZ 3.1Å; V74-K76 PolarHBondContact O-N 2.7Å; K76-V180 HydrophobicContact CD-CG2 4.14Å
77D98.6Very high98.2Very high80 Ų8046.3 Ų46.343%0.42824%0.243SC..EExtended strand (participates in β ladder)trans-98.3108.8177.2-78.611.9000110K68 H79K68-D77 WeakPolarHBondContact CG-OD1 3.32Å; D77-H79 PolarHBondContact O-ND1 2.94Å
78V98.8Very high98.2Very high7 Ų746.5 Ų46.54%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-90.5108.1175.2-176.20000108.9C66 L67 V69 I80 F86 V180 P183C66-V78 CarbonylContact C-O 3.53Å; C66-V78 WeakPolarHBondContact CA-O 3.2Å; L67-V78 HydrophobicContact CB-CB 4.3Å; L67-V78 PolarHBondContact N-O 3.04Å; L67-V78 WeakPolarHBondContact O-CB 3.44Å; L67-V78 PolarHBondContact O-N 2.77Å; V69-V78 HydrophobicContact CG1-CG2 4.33Å; V69-V78 HydrophobicContact CG2-CG2 4.01Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; V78-F86 HydrophobicContact CG1-CD2 4.07Å; V78-F86 HydrophobicContact CG1-CE2 3.95Å; V78-F86 HydrophobicContact CG1-CG 4.42Å; V78-F86 HydrophobicContact CG1-CZ 4.18Å; V78-V180 HydrophobicContact CG2-CG2 3.85Å; V78-P183 HydrophobicContact CG1-CG 3.52Å
79H98.8Very high98.2Very high115 Ų11543 Ų4353%0.53223%0.23SC..EExtended strand (participates in β ladder)trans-87.5117.1179-65.873.3000109.6D77 P183D77-H79 PolarHBondContact O-ND1 2.94Å; H79-P183 WeakPolarHBondContact O-CG 3.2Å
80I98.8Very high98.1Very high0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-111.5107.1179.5-50.2167000106.7F58 Q60 M65 L67 V78 E84 F86 P183F58-I80 HydrophobicContact CB-CD1 3.9Å; F58-I80 HydrophobicContact CG-CD1 4.17Å; Q60-I80 HydrophobicContact CB-CG2 4.41Å; Q60-I80 HydrophobicContact CG-CB 4.33Å; Q60-I80 HydrophobicContact CG-CG2 3.86Å; M65-I80 HydrophobicContact CE-CD1 4.44Å; M65-I80 HydrophobicContact CG-CB 3.87Å; M65-I80 HydrophobicContact CG-CD1 4.22Å; M65-I80 HydrophobicContact CG-CG1 4.44Å; M65-I80 PolarHBondContact N-O 2.78Å; M65-I80 PolarHBondContact O-N 3.2Å; M65-I80 HydrophobicContact SD-CD1 4.1Å; L67-I80 HydrophobicContact CB-CD1 4.22Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; I80-E84 HydrophobicContact CG2-CB 4.07Å; I80-F86 HydrophobicContact CD1-CB 3.85Å; I80-F86 HydrophobicContact CD1-CD1 3.85Å; I80-F86 HydrophobicContact CD1-CG 4.06Å; I80-F86 HydrophobicContact CG1-CB 4.08Å; I80-F86 HydrophobicContact CG1-CG 4.41Å; I80-P183 HydrophobicContact CB-CG 4.47Å; I80-P183 HydrophobicContact CG1-CB 4.32Å; I80-P183 HydrophobicContact CG1-CG 3.77Å; I80-P183 HydrophobicContact CG2-CB 4.42Å
81K98.9Very high98.1Very high116 Ų11644.5 Ų44.550%0.50424%0.237SC..  trans-84164.4-176.7-59.1176.4-178.7171.90111.8Q60 D64 G83 E84Q60-K81 VanDerWaalsContact CB-O 3.29Å; Q60-K81 WeakPolarHBondContact CB-O 3.3Å; D64-K81 VanDerWaalsContact OD1-CA 3.25Å; D64-K81 WeakPolarHBondContact OD1-CA 3.36Å; K81-G83 PolarHBondContact O-N 3.33Å; K81-E84 HydrophobicContact CB-CG 4.03Å; K81-E84 WeakPolarHBondContact CB-OE2 3.45Å; K81-E84 PolarHBondContact N-OE2 3.34Å; K81-E84 VanDerWaalsContact O-CB 3.29Å; K81-E84 WeakPolarHBondContact O-CB 3.28Å; K81-E84 PolarHBondContact O-N 2.77Å
82E98.8Very high98.2Very high115 Ų11543.1 Ų43.154%0.53723%0.231SC..THydrogen-bonded Turntrans-49.3128.9171-170.7177.110500111.6K62 G63 D64 E84K62-E82 WeakPolarHBondContact CA-OE2 3.32Å; G63-E82 PolarHBondContact N-OE2 3.25Å; G63-E82 PolarHBondContact O-N 3.16Å; D64-E82 PolarHBondContact OD1-N 3.32Å; E82-E84 VanDerWaalsContact C-N 3.3Å; E82-E84 PolarHBondContact O-N 2.93Å
83G98.7Very high98.3Very high28 Ų2839.9 Ų39.929%0.28921%0.214SC..THydrogen-bonded Turntrans81.1-1.1-177.200000115.2Q60 K81 F186Q60-G83 WeakPolarHBondContact O-CA 3.34Å; Q60-G83 PolarHBondContact O-N 2.7Å; K81-G83 PolarHBondContact O-N 3.33Å; G83-F186 PolarHBondContact O-N 3.32Å
84E98.9Very high98.5Very high35 Ų3538 Ų3816%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-92.6141.4177.5-61.7-174.5152.800112.9F59 Q60 I80 K81 E82 P183 F184F59-E84 WeakPolarHBondContact CD2-O 3.45Å; Q60-E84 PolarHBondContact N-O 3.49Å; Q60-E84 VanDerWaalsContact N-O 3.16Å; I80-E84 HydrophobicContact CG2-CB 4.07Å; K81-E84 HydrophobicContact CB-CG 4.03Å; K81-E84 WeakPolarHBondContact CB-OE2 3.45Å; K81-E84 PolarHBondContact N-OE2 3.34Å; K81-E84 VanDerWaalsContact O-CB 3.29Å; K81-E84 WeakPolarHBondContact O-CB 3.28Å; K81-E84 PolarHBondContact O-N 2.77Å; E82-E84 VanDerWaalsContact C-N 3.3Å; E82-E84 PolarHBondContact O-N 2.93Å; E84-P183 HydrophobicContact CB-CB 4.2Å; E84-F184 CarbonylContact C-O 3.56Å; E84-F184 WeakPolarHBondContact CA-O 3.36Å
85M98.8Very high98.6Very high0 Ų033.4 Ų33.40%017%0.166CC..EExtended strand (participates in β ladder)trans-104.4148.4170.9-75.4-177.9-179.200111F58 F59 P183 F184 F186 I205 F206 L276F58-M85 CarbonylContact O-C 3.52Å; F58-M85 WeakPolarHBondContact O-CA 3.4Å; F59-M85 HydrophobicContact CB-CE 4.44Å; F59-M85 HydrophobicContact CB-CG 3.9Å; F59-M85 HydrophobicContact CD1-CE 3.41Å; F59-M85 VanDerWaalsContact CD1-CE 3.41Å; F59-M85 HydrophobicContact CD1-CG 4.35Å; F59-M85 HydrophobicContact CD2-CE 4.02Å; F59-M85 HydrophobicContact CD2-CG 3.43Å; F59-M85 VanDerWaalsContact CD2-CG 3.43Å; F59-M85 HydrophobicContact CE1-CE 3.46Å; F59-M85 VanDerWaalsContact CE1-CE 3.46Å; F59-M85 HydrophobicContact CE2-CE 4.06Å; F59-M85 HydrophobicContact CE2-CG 3.99Å; F59-M85 HydrophobicContact CG-CE 3.71Å; F59-M85 HydrophobicContact CG-CG 3.64Å; F59-M85 HydrophobicContact CZ-CE 3.8Å; M85-P183 WeakPolarHBondContact O-CA 3.33Å; M85-F184 HydrophobicContact CB-CE1 4.24Å; M85-F184 HydrophobicContact CB-CE2 4.27Å; M85-F184 HydrophobicContact CB-CZ 3.81Å; M85-F184 PolarHBondContact N-O 2.8Å; M85-F184 PolarHBondContact O-N 3.06Å; M85-F184 VanDerWaalsContact O-N 3.13Å; M85-F186 HydrophobicContact CE-CB 4.09Å; M85-F186 HydrophobicContact CE-CD1 3.91Å; M85-F186 HydrophobicContact CE-CD2 3.49Å; M85-F186 VanDerWaalsContact CE-CD2 3.49Å; M85-F186 HydrophobicContact CE-CE1 4.21Å; M85-F186 HydrophobicContact CE-CE2 3.83Å; M85-F186 HydrophobicContact CE-CG 3.54Å; M85-F186 HydrophobicContact CE-CZ 4.17Å; M85-F186 HydrophobicContact CG-CB 4.1Å; M85-F186 HydrophobicContact CG-CG 4.5Å; M85-F186 HydrophobicContact SD-CB 4.09Å; M85-F186 HydrophobicContact SD-CD2 3.47Å; M85-F186 WeakPolarHBondContact SD-CD2 3.19Å; M85-F186 HydrophobicContact SD-CE2 4.1Å; M85-F186 HydrophobicContact SD-CG 3.89Å; M85-I205 HydrophobicContact SD-CD1 4.06Å; M85-F206 HydrophobicContact CB-CZ 4.38Å; M85-L276 HydrophobicContact CE-CD1 4.24Å; M85-L276 HydrophobicContact CE-CD2 3.85Å
86F98.9Very high98.6Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-149.7135.2176173-101.8000109.7F58 L67 V78 I80 L88 V180 M181 P183F58-F86 HydrophobicContact CB-CB 4.42Å; F58-F86 AromaticContact CD2-CD1 3.88Å; F58-F86 HydrophobicContact CD2-CD1 3.88Å; F58-F86 HydrophobicContact CD2-CE1 4.43Å; F58-F86 HydrophobicContact CG-CD1 4.48Å; F58-F86 PolarHBondContact N-O 3.21Å; F58-F86 PolarHBondContact O-N 3.42Å; L67-F86 HydrophobicContact CD2-CD1 4.08Å; L67-F86 HydrophobicContact CD2-CE1 3.54Å; L67-F86 HydrophobicContact CD2-CZ 4.48Å; V78-F86 HydrophobicContact CG1-CD2 4.07Å; V78-F86 HydrophobicContact CG1-CE2 3.95Å; V78-F86 HydrophobicContact CG1-CG 4.42Å; V78-F86 HydrophobicContact CG1-CZ 4.18Å; I80-F86 HydrophobicContact CD1-CB 3.85Å; I80-F86 HydrophobicContact CD1-CD1 3.85Å; I80-F86 HydrophobicContact CD1-CG 4.06Å; I80-F86 HydrophobicContact CG1-CB 4.08Å; I80-F86 HydrophobicContact CG1-CG 4.41Å; F86-L88 HydrophobicContact CE1-CB 3.81Å; F86-L88 HydrophobicContact CE1-CD1 3.89Å; F86-L88 HydrophobicContact CE1-CG 4.46Å; F86-L88 HydrophobicContact CZ-CB 4.46Å; F86-L88 HydrophobicContact CZ-CD1 3.99Å; F86-V180 HydrophobicContact CE2-CB 4.21Å; F86-V180 HydrophobicContact CZ-CB 4.11Å; F86-M181 HydrophobicContact CD2-CG 3.76Å; F86-M181 HydrophobicContact CE2-CG 3.74Å; F86-M181 VanDerWaalsContact CE2-O 3.27Å; F86-M181 WeakPolarHBondContact CE2-O 3.44Å; F86-P183 HydrophobicContact CB-CB 4.17Å; F86-P183 HydrophobicContact CB-CG 4.02Å; F86-P183 HydrophobicContact CD2-CG 3.85Å; F86-P183 HydrophobicContact CG-CG 4.16Å
87L98.8Very high98.6Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-111122173.7179.364.8000108.7E55 L57 P89 M181 F206 F210 T212E55-L87 HydrophobicContact CB-CD1 4.21Å; L57-L87 HydrophobicContact CB-CD1 4.25Å; L87-P89 WeakPolarHBondContact O-CD 3.4Å; L87-M181 HydrophobicContact CB-CE 4.07Å; L87-M181 HydrophobicContact CB-SD 4.25Å; L87-F206 HydrophobicContact CB-CD1 3.8Å; L87-F206 HydrophobicContact CB-CD2 4.26Å; L87-F206 HydrophobicContact CB-CE1 3.57Å; L87-F206 HydrophobicContact CB-CE2 4.12Å; L87-F206 HydrophobicContact CB-CG 4.13Å; L87-F206 HydrophobicContact CB-CZ 3.77Å; L87-F206 HydrophobicContact CD2-CB 3.97Å; L87-F206 HydrophobicContact CD2-CD1 4.23Å; L87-F206 HydrophobicContact CD2-CD2 3.96Å; L87-F206 HydrophobicContact CD2-CG 3.8Å; L87-F210 HydrophobicContact CD2-CB 3.74Å; L87-F210 HydrophobicContact CD2-CD1 4.03Å; L87-F210 HydrophobicContact CD2-CD2 3.81Å; L87-F210 HydrophobicContact CD2-CE2 4.4Å; L87-F210 HydrophobicContact CD2-CG 3.58Å; L87-T212 HydrophobicContact CD1-CG2 4.04Å
88L98.7Very high98.6Very high4 Ų425.5 Ų25.52%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-88.7118.2174.7-172.469.8000109.7E55 E56 F58 L67 V69 F86 I92 H94 V180E55-L88 WeakPolarHBondContact CA-O 3.37Å; E55-L88 WeakPolarHBondContact CB-O 3.47Å; E56-L88 HydrophobicContact CB-CB 4.25Å; E56-L88 PolarHBondContact N-O 3.37Å; E56-L88 VanDerWaalsContact N-O 3.16Å; E56-L88 PolarHBondContact O-N 2.9Å; F58-L88 HydrophobicContact CE2-CB 4.03Å; F58-L88 HydrophobicContact CE2-CD2 4.5Å; L67-L88 HydrophobicContact CD2-CD1 4.23Å; L67-L88 HydrophobicContact CD2-CD2 4.39Å; V69-L88 HydrophobicContact CG1-CD1 4.06Å; F86-L88 HydrophobicContact CE1-CB 3.81Å; F86-L88 HydrophobicContact CE1-CD1 3.89Å; F86-L88 HydrophobicContact CE1-CG 4.46Å; F86-L88 HydrophobicContact CZ-CB 4.46Å; F86-L88 HydrophobicContact CZ-CD1 3.99Å; L88-I92 HydrophobicContact CD1-CB 4.05Å; L88-I92 HydrophobicContact CD1-CD1 4.39Å; L88-I92 HydrophobicContact CD1-CG2 3.98Å; L88-I92 HydrophobicContact CG-CB 4.44Å; L88-H94 HydrophobicContact CD2-CB 3.65Å; L88-H94 WeakPolarHBondContact CD2-ND1 3.39Å; L88-V180 HydrophobicContact CD1-CG1 4.34Å
89P98Very high98.5Very high4 Ų432.1 Ų32.13%0.02616%0.157CC..PPolyproline II helixtrans-60.7151.9171.5-21.631.8000112.3L87 I92 N176 M178 F210L87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-I92 HydrophobicContact CB-CD1 3.96Å; P89-I92 HydrophobicContact CG-CD1 3.98Å; P89-N176 WeakPolarHBondContact CB-ND2 3.36Å; P89-M178 HydrophobicContact CB-SD 4.34Å; P89-M178 HydrophobicContact CG-CE 4.42Å; P89-M178 HydrophobicContact CG-SD 4.48Å; P89-F210 HydrophobicContact CG-CE1 4Å
90A97.9Very high98.4Very high13 Ų1329 Ų2911%0.10715%0.152CC..THydrogen-bonded Turntrans-54.7149.8176.800000113E53 G54 E55 I92 N176E53-A90 WeakPolarHBondContact O-CB 3.47Å; G54-A90 WeakPolarHBondContact O-CA 3.02Å; G54-A90 WeakPolarHBondContact O-CB 3.33Å; E55-A90 HydrophobicContact CG-CB 4.33Å; A90-I92 VanDerWaalsContact C-N 3.27Å; A90-I92 PolarHBondContact O-N 3.37Å; A90-N176 WeakPolarHBondContact O-CB 3.48Å; A90-N176 PolarHBondContact O-ND2 2.88Å
91R97.9Very high98.3Very high30 Ų3034.6 Ų34.611%0.11318%0.181CC..THydrogen-bonded Turntrans62.227.6171.8-48167.6-172.8153.43.7114.6E52 E53 F173 Q174 N176 T287E52-R91 WeakPolarHBondContact O-CA 3.4Å; E52-R91 PolarHBondContact O-N 2.91Å; E53-R91 HydrophobicContact CG-CG 4.32Å; E53-R91 IonicContact OE2-NH2 3.85Å; R91-F173 HydrophobicContact CB-CD2 3.96Å; R91-F173 HydrophobicContact CB-CE2 3.74Å; R91-F173 VanDerWaalsContact CD-CD2 3.42Å; R91-F173 HydrophobicContact CG-CD2 3.61Å; R91-F173 HydrophobicContact CG-CE2 3.62Å; R91-F173 HydrophobicContact CG-CG 4.16Å; R91-F173 HydrophobicContact CG-CZ 4.18Å; R91-Q174 WeakPolarHBondContact CD-O 3.5Å; R91-N176 HydrophobicContact CB-CB 4.24Å; R91-N176 PolarHBondContact O-N 3.42Å; R91-T287 PolarHBondContact NH1-OXT 2.97Å
92I98.3Very high98.2Very high2 Ų229.4 Ų29.41%0.0116%0.159CC..  trans-99.4119.5168.2-62.9-174.7000108.2V69 L88 P89 A90 H94 N176 V180V69-I92 HydrophobicContact CB-CG2 3.95Å; V69-I92 HydrophobicContact CG1-CG2 4.3Å; L88-I92 HydrophobicContact CD1-CB 4.05Å; L88-I92 HydrophobicContact CD1-CD1 4.39Å; L88-I92 HydrophobicContact CD1-CG2 3.98Å; L88-I92 HydrophobicContact CG-CB 4.44Å; P89-I92 HydrophobicContact CB-CD1 3.96Å; P89-I92 HydrophobicContact CG-CD1 3.98Å; A90-I92 VanDerWaalsContact C-N 3.27Å; A90-I92 PolarHBondContact O-N 3.37Å; I92-H94 PolarHBondContact O-N 3.13Å; I92-H94 PolarHBondContact O-ND1 3.05Å; I92-N176 HydrophobicContact CD1-CB 4.47Å; I92-N176 HydrophobicContact CG1-CB 3.74Å; I92-V180 HydrophobicContact CD1-CG1 3.47Å; I92-V180 VanDerWaalsContact CD1-CG1 3.47Å
93P98.7Very high98.2Very high7 Ų724.8 Ų24.85%0.04514%0.139CC..  trans-60127.2173.1-19.230.2000110.2Y49 H50 I51 V69 I70 M175Y49-P93 HydrophobicContact CD1-CB 4.04Å; Y49-P93 HydrophobicContact CG-CB 4.49Å; H50-P93 WeakPolarHBondContact O-CA 3.48Å; I51-P93 HydrophobicContact CD1-CB 4.15Å; I51-P93 HydrophobicContact CD1-CG 3.91Å; I51-P93 HydrophobicContact CG1-CB 3.84Å; I51-P93 HydrophobicContact CG1-CG 3.96Å; V69-P93 CarbonylContact C-O 3.58Å; V69-P93 WeakPolarHBondContact CA-O 3.22Å; I70-P93 HydrophobicContact CB-CB 4.07Å; I70-P93 HydrophobicContact CB-CG 4.05Å; I70-P93 HydrophobicContact CG1-CB 3.9Å; I70-P93 HydrophobicContact CG1-CG 4.32Å; I70-P93 PolarHBondContact N-O 3.34Å; P93-M175 HydrophobicContact CG-SD 4.45Å
94H98.8Very high98.2Very high4 Ų423.4 Ų23.42%0.01913%0.125CC..EExtended strand (participates in β ladder)trans-141.4147.3-175.965.4-86.6000112.7Y49 H50 E56 L67 K68 V69 L88 I92Y49-H94 CarbonylContact C-O 3.41Å; Y49-H94 VanDerWaalsContact CA-O 3.24Å; Y49-H94 WeakPolarHBondContact CA-O 3.39Å; H50-H94 AromaticContact CG-CE1 3.92Å; H50-H94 AromaticContact CG-NE2 3.92Å; H50-H94 PolarHBondContact N-O 2.97Å; H50-H94 AromaticContact ND1-CE1 3.55Å; H50-H94 AromaticContact ND1-NE2 3.43Å; H50-H94 PolarHBondContact ND1-NE2 3.2Å; H50-H94 PolarHBondContact O-CE1 3.14Å; H50-H94 PolarHBondContact O-N 3.13Å; H50-H94 PolarHBondContact O-ND1 3.11Å; H50-H94 VanDerWaalsContact O-ND1 3.09Å; E56-H94 IonicContact OE1-CE1 2.77Å; E56-H94 PolarHBondContact OE1-CE1 3.24Å; E56-H94 IonicContact OE1-NE2 3.39Å; E56-H94 PolarHBondContact OE1-NE2 3.05Å; E56-H94 IonicContact OE2-NE2 3.72Å; L67-H94 HydrophobicContact CD1-CB 4Å; L67-H94 HydrophobicContact CD2-CB 4.45Å; L67-H94 HydrophobicContact CG-CB 4.24Å; K68-H94 CarbonylContact O-C 3.52Å; K68-H94 WeakPolarHBondContact O-CA 3.12Å; V69-H94 HydrophobicContact CG1-CB 3.97Å; L88-H94 HydrophobicContact CD2-CB 3.65Å; L88-H94 WeakPolarHBondContact CD2-ND1 3.39Å; I92-H94 PolarHBondContact O-N 3.13Å; I92-H94 PolarHBondContact O-ND1 3.05Å
95S98.6Very high98.2Very high1 Ų121.8 Ų21.81%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-137.698.1-175.4-171.40000109.9R46 D48 K68 Q97R46-S95 PolarHBondContact O-OG 3.44Å; D48-S95 WeakPolarHBondContact O-CB 3.34Å; D48-S95 PolarHBondContact O-OG 2.87Å; K68-S95 PolarHBondContact N-O 2.86Å; K68-S95 PolarHBondContact O-N 2.98Å; S95-Q97 PolarHBondContact O-NE2 3.18Å; S95-Q97 PolarHBondContact OG-NE2 2.89Å
96P98.4Very high98.2Very high22 Ų2222.1 Ų22.114%0.14312%0.12CC..EExtended strand (participates in β ladder)trans-73.6132.9-175.627.5-33000112M65 L67M65-P96 HydrophobicContact CE-CB 3.87Å; L67-P96 HydrophobicContact CD1-CB 3.88Å
97Q98.6Very high98.2Very high25 Ų2522.1 Ų22.112%0.11712%0.12CC..EExtended strand (participates in β ladder)trans-120115.5179.2-44.4-59.9-43.500109.3T45 R46 M65 C66 K68 S95T45-Q97 VanDerWaalsContact CA-OE1 3.29Å; R46-Q97 VanDerWaalsContact N-OE1 3.09Å; R46-Q97 PolarHBondContact O-NE2 3.13Å; R46-Q97 PolarHBondContact O-OE1 3.42Å; M65-Q97 WeakPolarHBondContact CB-O 3.44Å; C66-Q97 HydrophobicContact CB-CB 4.28Å; C66-Q97 PolarHBondContact N-O 3.23Å; C66-Q97 WeakPolarHBondContact O-CA 3.45Å; C66-Q97 VanDerWaalsContact O-CB 3.26Å; C66-Q97 WeakPolarHBondContact O-CB 3.45Å; C66-Q97 WeakPolarHBondContact O-CG 3.37Å; C66-Q97 PolarHBondContact O-N 2.92Å; K68-Q97 HydrophobicContact CD-CG 4.21Å; K68-Q97 HydrophobicContact CG-CG 3.95Å; S95-Q97 PolarHBondContact O-NE2 3.18Å; S95-Q97 PolarHBondContact OG-NE2 2.89Å
98R98.4Very high98.2Very high7 Ų722.4 Ų22.43%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-118.6132.8-176-66.2-178.2175.4-80-1.3110.9V40 G41 P43 N44 M65V40-R98 VanDerWaalsContact CG1-CD 3.49Å; V40-R98 VanDerWaalsContact CG1-NE 3.25Å; V40-R98 PolarHBondContact O-NH1 2.84Å; G41-R98 WeakPolarHBondContact O-CB 3.4Å; G41-R98 WeakPolarHBondContact O-CD 3.1Å; P43-R98 CarbonylContact C-O 3.23Å; P43-R98 WeakPolarHBondContact CA-O 3.43Å; N44-R98 PolarHBondContact N-O 3.32Å; N44-R98 PolarHBondContact O-N 2.78Å; M65-R98 HydrophobicContact CB-CG 4.22Å; M65-R98 VanDerWaalsContact SD-CZ 3.58Å; M65-R98 PolarHBondContact SD-NH2 3.01Å
99K96.6Very high98.1Very high146 Ų14622.2 Ų22.264%0.63512%0.12SC*.  trans-82.7165.9173.9-65.5178.2-177.2171.80110.6G42 T102G42-K99 CarbonylContact C-O 3.5Å; G42-K99 WeakPolarHBondContact CA-O 3.2Å; K99-T102 HydrophobicContact CB-CG2 4.13Å; K99-T102 WeakPolarHBondContact O-CG2 3.44Å; K99-T102 PolarHBondContact O-OG1 2.67Å
100A97.1Very high98.1Very high51 Ų5128.3 Ų28.342%0.42114%0.142SC..THydrogen-bonded Turntrans-59.2151.617300000111.7P43 T102P43-A100 HydrophobicContact CB-CB 4.31Å; P43-A100 HydrophobicContact CG-CB 4.22Å; A100-T102 PolarHBondContact O-N 2.86Å
101N95.7Very high98.1Very high117 Ų11728.7 Ų28.763%0.62614%0.141SC*.THydrogen-bonded Turntrans60.728.2176.5-54.9-47.1000114.6K62K62-N101 VanDerWaalsContact CE-O 3.29Å; K62-N101 WeakPolarHBondContact CE-O 3.19Å
102T98.4Very high98Very high7 Ų730.7 Ų30.74%0.04315%0.154CC..  trans-104.1155.2175.162.40000110.9G41 K62 K99 A100G41-T102 WeakPolarHBondContact CA-O 3.35Å; K62-T102 CarbonylContact O-C 3.58Å; K62-T102 WeakPolarHBondContact O-CA 3.47Å; K62-T102 WeakPolarHBondContact O-CB 3.41Å; K99-T102 HydrophobicContact CB-CG2 4.13Å; K99-T102 WeakPolarHBondContact O-CG2 3.44Å; K99-T102 PolarHBondContact O-OG1 2.67Å; A100-T102 PolarHBondContact O-N 2.86Å
103V98.6Very high97.9Very high17 Ų1738.6 Ų38.610%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-143.5124169.1-178.20000108.2I14 F21 F39 V40 L61 K62I14-V103 HydrophobicContact CD1-CG1 4.26Å; I14-V103 HydrophobicContact CG2-CG1 4.25Å; I14-V103 HydrophobicContact CG2-CG2 4.46Å; F21-V103 HydrophobicContact CD2-CG2 4.22Å; F39-V103 HydrophobicContact CB-CG1 4.31Å; F39-V103 HydrophobicContact CD1-CG1 4.14Å; V40-V103 WeakPolarHBondContact O-CA 3.5Å; L61-V103 PolarHBondContact N-O 3.18Å; K62-V103 HydrophobicContact CB-CB 4.25Å; K62-V103 PolarHBondContact N-O 2.79Å; K62-V103 PolarHBondContact O-N 2.75Å
104G98.7Very high97.8Very high0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-127.2143.2173.200000111.6F39 V40 F59 Q60F39-G104 CarbonylContact C-O 3.56Å; F39-G104 WeakPolarHBondContact CA-O 3.34Å; V40-G104 PolarHBondContact N-O 3.39Å; V40-G104 PolarHBondContact O-N 2.83Å; F59-G104 CarbonylContact O-C 3.6Å; F59-G104 WeakPolarHBondContact O-CA 3.36Å; Q60-G104 VanDerWaalsContact OE1-CA 3.28Å
105L98.8Very high97.7Very high1 Ų143.4 Ų43.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-75.3132.9164.8172.464.8000108.7V37 M38 F39 F58 F59 M107 W232 W234V37-L105 HydrophobicContact CG1-CD1 3.89Å; M38-L105 WeakPolarHBondContact O-CA 3.5Å; F39-L105 HydrophobicContact CD1-CB 4.27Å; F39-L105 HydrophobicContact CE1-CB 3.86Å; F39-L105 HydrophobicContact CE1-CD1 4.01Å; F39-L105 HydrophobicContact CE1-CG 4.48Å; F39-L105 HydrophobicContact CE2-CD1 4.2Å; F39-L105 HydrophobicContact CZ-CB 4.48Å; F39-L105 HydrophobicContact CZ-CD1 3.82Å; F58-L105 WeakPolarHBondContact CA-O 3.44Å; F59-L105 HydrophobicContact CB-CB 4.22Å; F59-L105 HydrophobicContact CB-CD2 4.41Å; F59-L105 HydrophobicContact CD1-CD2 4.46Å; F59-L105 PolarHBondContact N-O 3.03Å; F59-L105 PolarHBondContact O-N 3.2Å; L105-M107 HydrophobicContact CD1-CG 3.73Å; L105-M107 HydrophobicContact CD1-SD 4.27Å; L105-M107 HydrophobicContact CD2-CG 4.28Å; L105-M107 HydrophobicContact CD2-SD 4.09Å; L105-M107 HydrophobicContact CG-CG 3.97Å; L105-M107 HydrophobicContact CG-SD 4.43Å; L105-W232 HydrophobicContact CD2-CH2 4.34Å; L105-W232 HydrophobicContact CD2-CZ3 4.12Å; L105-W234 HydrophobicContact CD2-CE3 4.47Å; L105-W234 HydrophobicContact CD2-CZ3 4.18Å
106V98.8Very high97.6Very high7 Ų743.7 Ų43.74%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-122.7133.3164.8-178.30000107.6M38 V40 L57 F58M38-V106 HydrophobicContact CG-CB 3.76Å; M38-V106 HydrophobicContact CG-CG1 4.43Å; M38-V106 WeakPolarHBondContact CG-O 3.28Å; M38-V106 PolarHBondContact N-O 2.93Å; M38-V106 PolarHBondContact O-N 2.92Å; M38-V106 VanDerWaalsContact O-O 3.13Å; M38-V106 HydrophobicContact SD-CB 4.35Å; V40-V106 HydrophobicContact CG2-CB 4.37Å; V40-V106 HydrophobicContact CG2-CG2 3.89Å; L57-V106 CarbonylContact O-C 3.58Å; L57-V106 VanDerWaalsContact O-CA 3.24Å; L57-V106 WeakPolarHBondContact O-CA 3.31Å; F58-V106 HydrophobicContact CD1-CG2 3.82Å; F58-V106 HydrophobicContact CE1-CG1 4.35Å; F58-V106 HydrophobicContact CE1-CG2 3.87Å
107M98.7Very high97.6Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-127.2129.2172.4-55.9-174.659.900110.3L35 L36 V37 E56 L57 L105 W232 V278L35-M107 HydrophobicContact CD1-CE 4.03Å; L35-M107 HydrophobicContact CD2-CE 3.27Å; L35-M107 HydrophobicContact CG-CE 3.61Å; L36-M107 WeakPolarHBondContact O-CA 3.22Å; V37-M107 HydrophobicContact CG2-CE 3.59Å; E56-M107 WeakPolarHBondContact CA-O 3.45Å; L57-M107 HydrophobicContact CB-CB 4.21Å; L57-M107 HydrophobicContact CD2-SD 4.23Å; L57-M107 PolarHBondContact N-O 2.85Å; L57-M107 PolarHBondContact O-N 3.3Å; L105-M107 HydrophobicContact CD1-CG 3.73Å; L105-M107 HydrophobicContact CD1-SD 4.27Å; L105-M107 HydrophobicContact CD2-CG 4.28Å; L105-M107 HydrophobicContact CD2-SD 4.09Å; L105-M107 HydrophobicContact CG-CG 3.97Å; L105-M107 HydrophobicContact CG-SD 4.43Å; M107-W232 HydrophobicContact CE-CB 4.11Å; M107-W232 HydrophobicContact CE-CD2 4.37Å; M107-W232 HydrophobicContact CE-CE3 4.08Å; M107-W232 HydrophobicContact CE-CG 4.43Å; M107-W232 HydrophobicContact SD-CE3 3.84Å; M107-W232 HydrophobicContact SD-CZ3 4.11Å; M107-V278 HydrophobicContact CE-CB 3.66Å; M107-V278 HydrophobicContact CE-CG1 3.64Å; M107-V278 HydrophobicContact CE-CG2 4.28Å; M107-V278 HydrophobicContact SD-CB 3.85Å; M107-V278 HydrophobicContact SD-CG1 3.86Å; M107-V278 HydrophobicContact SD-CG2 3.8Å
108E98.2Very high97.6Very high5 Ų541.5 Ų41.52%0.02321%0.214CC..EExtended strand (participates in β ladder)trans-138175.3174.764.7-179.4-106.900108.2L36 M38 E56 R111 Q280L36-E108 WeakPolarHBondContact CA-O 3.08Å; L36-E108 HydrophobicContact CB-CG 3.7Å; L36-E108 WeakPolarHBondContact CB-O 3.43Å; L36-E108 HydrophobicContact CD1-CG 3.89Å; L36-E108 HydrophobicContact CG-CG 4.13Å; L36-E108 PolarHBondContact N-O 3.02Å; L36-E108 PolarHBondContact O-N 3.25Å; M38-E108 HydrophobicContact CE-CG 3.74Å; M38-E108 WeakPolarHBondContact CE-OE2 3.49Å; E56-E108 HydrophobicContact CG-CB 4.17Å; E108-R111 IonicContact OE1-CZ 3.88Å; E108-R111 IonicContact OE1-NH1 3.2Å; E108-R111 PolarHBondContact OE1-NH1 2.77Å; E108-R111 IonicContact OE1-NH2 2.89Å; E108-R111 PolarHBondContact OE1-NH2 2.86Å; E108-Q280 PolarHBondContact O-OE1 2.95Å
109R97.6Very high97.6Very high0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-120.5157.7178.862.5159.2178.6792.8112.2Q34 R111 E115 E211 Q280Q34-R109 CarbonylContact O-C 3.48Å; Q34-R109 WeakPolarHBondContact O-CA 3.26Å; R109-R111 PolarHBondContact O-N 2.99Å; R109-R111 PolarHBondContact O-NH1 3.31Å; R109-E115 IonicContact CZ-OE1 3.18Å; R109-E115 IonicContact CZ-OE2 2.7Å; R109-E115 IonicContact NH1-OE1 3.62Å; R109-E115 IonicContact NH1-OE2 3.27Å; R109-E115 PolarHBondContact NH1-OE2 3.29Å; R109-E115 IonicContact NH2-OE1 2.83Å; R109-E115 PolarHBondContact NH2-OE1 3.01Å; R109-E115 IonicContact NH2-OE2 3.45Å; R109-E211 WeakPolarHBondContact CD-OE1 3.19Å; R109-E211 IonicContact CZ-OE1 3.42Å; R109-E211 IonicContact CZ-OE2 2.75Å; R109-E211 IonicContact NE-OE1 3.3Å; R109-E211 PolarHBondContact NE-OE1 2.91Å; R109-E211 IonicContact NE-OE2 3.55Å; R109-E211 PolarHBondContact NE-OE2 2.86Å; R109-E211 IonicContact NH2-OE1 3.64Å; R109-E211 IonicContact NH2-OE2 3.17Å; R109-E211 PolarHBondContact NH2-OE2 3.05Å; R109-Q280 HydrophobicContact CB-CB 3.89Å; R109-Q280 HydrophobicContact CG-CB 4.09Å
110R97.6Very high97.7Very high133 Ų13334.9 Ų34.950%0.50219%0.185SC..PPolyproline II helixtrans-50.9135.1166-173.7-177.4-611722.2109.7S33 Q34S33-R110 PolarHBondContact O-NE 2.81Å; S33-R110 PolarHBondContact O-NH2 3.45Å; Q34-R110 PolarHBondContact O-N 3.27Å
111R97.8Very high97.8Very high20 Ų2032.7 Ų32.78%0.07517%0.166CC..PPolyproline II helixtrans-69.3145.8175.9-51.8-47.6-174.1-106.60.2110.9E52 E108 R109 E115 D117 C137E52-R111 VanDerWaalsContact CD-CZ 3.44Å; E52-R111 IonicContact OE1-CZ 3.59Å; E52-R111 VanDerWaalsContact OE1-CZ 3.27Å; E52-R111 IonicContact OE1-NH1 2.67Å; E52-R111 IonicContact OE1-NH2 3.59Å; E52-R111 PolarHBondContact OE1-NH2 2.88Å; E52-R111 IonicContact OE2-CZ 3.54Å; E52-R111 IonicContact OE2-NE 3.64Å; E52-R111 IonicContact OE2-NH1 3.58Å; E52-R111 PolarHBondContact OE2-NH1 3.38Å; E52-R111 IonicContact OE2-NH2 3.52Å; E52-R111 PolarHBondContact OE2-NH2 3.03Å; E108-R111 IonicContact OE1-CZ 3.88Å; E108-R111 IonicContact OE1-NH1 3.2Å; E108-R111 PolarHBondContact OE1-NH1 2.77Å; E108-R111 IonicContact OE1-NH2 2.89Å; E108-R111 PolarHBondContact OE1-NH2 2.86Å; R109-R111 PolarHBondContact O-N 2.99Å; R109-R111 PolarHBondContact O-NH1 3.31Å; R111-E115 WeakPolarHBondContact CA-OE2 3.37Å; R111-E115 HydrophobicContact CB-CB 4.16Å; R111-D117 IonicContact CZ-OD1 2.58Å; R111-D117 IonicContact CZ-OD2 3.9Å; R111-D117 IonicContact NE-OD1 3.45Å; R111-D117 PolarHBondContact NE-OD1 3.26Å; R111-D117 IonicContact NE-OD2 2.99Å; R111-D117 PolarHBondContact NE-OD2 2.92Å; R111-D117 IonicContact NH2-OD1 2.69Å; R111-D117 IonicContact NH2-OD2 3.69Å; R111-D117 PolarHBondContact NH2-OD2 3.04Å; R111-C137 HydrophobicContact CG-CB 3.86Å; R111-C137 WeakPolarHBondContact CG-O 3.43Å
112L96.8Very high97.9Very high73 Ų7328.1 Ų28.138%0.38214%0.14SC..PPolyproline II helixtrans-67.5154.6161.4-60.7177.2000109.1T114 E115 P282L112-T114 PolarHBondContact O-N 2.79Å; L112-E115 HydrophobicContact CB-CB 4.47Å; L112-E115 HydrophobicContact CB-CG 3.95Å; L112-E115 HydrophobicContact CG-CG 4.48Å; L112-E115 PolarHBondContact N-OE2 3.24Å; L112-E115 WeakPolarHBondContact O-CB 3.47Å; L112-E115 PolarHBondContact O-N 2.85Å; L112-P282 HydrophobicContact CD1-CB 4.02Å; L112-P282 HydrophobicContact CD2-CB 3.84Å; L112-P282 HydrophobicContact CD2-CG 3.95Å; L112-P282 HydrophobicContact CG-CB 3.98Å
113L95.8Very high97.9Very high167 Ų16729.3 Ų29.387%0.87415%0.147SC*.THydrogen-bonded Turntrans-61.7-18.6178.3-60.7178.6000113.6Y136L113-Y136 WeakPolarHBondContact O-CE1 3.47Å
114T95.5Very high97.5Very high112 Ų11233.4 Ų33.469%0.68717%0.169SC*.THydrogen-bonded Turntrans-89.8-11.2176.654.30000113.3L112L112-T114 PolarHBondContact O-N 2.79Å
115E97.4Very high97.1Very high0 Ų041.1 Ų41.10%021%0.21CC..  trans-87.5146.8-175-73.9175.2152.800112E53 R109 R111 L112 Y136 K285E53-E115 HydrophobicContact CB-CB 4.3Å; E53-E115 HydrophobicContact CB-CG 3.89Å; E53-E115 HydrophobicContact CG-CG 4.4Å; E53-E115 WeakPolarHBondContact OE1-CA 3.33Å; R109-E115 IonicContact CZ-OE1 3.18Å; R109-E115 IonicContact CZ-OE2 2.7Å; R109-E115 IonicContact NH1-OE1 3.62Å; R109-E115 IonicContact NH1-OE2 3.27Å; R109-E115 PolarHBondContact NH1-OE2 3.29Å; R109-E115 IonicContact NH2-OE1 2.83Å; R109-E115 PolarHBondContact NH2-OE1 3.01Å; R109-E115 IonicContact NH2-OE2 3.45Å; R111-E115 WeakPolarHBondContact CA-OE2 3.37Å; R111-E115 HydrophobicContact CB-CB 4.16Å; L112-E115 HydrophobicContact CB-CB 4.47Å; L112-E115 HydrophobicContact CB-CG 3.95Å; L112-E115 HydrophobicContact CG-CG 4.48Å; L112-E115 PolarHBondContact N-OE2 3.24Å; L112-E115 WeakPolarHBondContact O-CB 3.47Å; L112-E115 PolarHBondContact O-N 2.85Å; E115-Y136 WeakPolarHBondContact O-CD1 3.31Å; E115-K285 WeakPolarHBondContact OE1-CD 3.5Å; E115-K285 WeakPolarHBondContact OE1-CE 3.41Å; E115-K285 IonicContact OE1-NZ 2.71Å; E115-K285 PolarHBondContact OE1-NZ 2.91Å
116T96.9Very high97Very high8 Ų843.2 Ų43.25%0.04922%0.223CC..  trans-127.9144.917850.70000111.5E53 Y136 P172E53-T116 PolarHBondContact OE1-N 3.46Å; T116-Y136 HydrophobicContact CG2-CD1 3.92Å; T116-Y136 HydrophobicContact CG2-CE1 3.59Å; T116-P172 WeakPolarHBondContact OG1-CG 3.43Å
117D98.5Very high96.8Very high0 Ų045.6 Ų45.60%024%0.238CC..EExtended strand (participates in β ladder)trans-104.5157.2172.2-74.145.9000109.3H50 I51 R111 W134 F135 C137H50-D117 IonicContact CD2-OD2 2.72Å; H50-D117 IonicContact CE1-OD2 2.75Å; H50-D117 IonicContact NE2-OD2 2.85Å; H50-D117 PolarHBondContact NE2-OD2 2.9Å; I51-D117 CarbonylContact O-C 3.55Å; I51-D117 VanDerWaalsContact O-CA 3.28Å; I51-D117 WeakPolarHBondContact O-CA 3.39Å; R111-D117 IonicContact CZ-OD1 2.58Å; R111-D117 IonicContact CZ-OD2 3.9Å; R111-D117 IonicContact NE-OD1 3.45Å; R111-D117 PolarHBondContact NE-OD1 3.26Å; R111-D117 IonicContact NE-OD2 2.99Å; R111-D117 PolarHBondContact NE-OD2 2.92Å; R111-D117 IonicContact NH2-OD1 2.69Å; R111-D117 IonicContact NH2-OD2 3.69Å; R111-D117 PolarHBondContact NH2-OD2 3.04Å; D117-W134 CarbonylContact O-C 3.58Å; D117-W134 WeakPolarHBondContact O-CA 3.07Å; D117-F135 HydrophobicContact CB-CD1 4.49Å; D117-F135 HydrophobicContact CB-CD2 4.37Å; D117-F135 HydrophobicContact CB-CE1 3.99Å; D117-F135 HydrophobicContact CB-CE2 3.86Å; D117-F135 HydrophobicContact CB-CZ 3.64Å; D117-F135 PolarHBondContact N-O 3.04Å; D117-F135 PolarHBondContact O-N 3.29Å; D117-C137 HydrophobicContact CB-CB 3.97Å; D117-C137 VanDerWaalsContact CG-CB 3.43Å; D117-C137 WeakPolarHBondContact OD1-CB 3.28Å
118C98.3Very high96.7Very high0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-133.3138.6172.4-178.10000110.6H50 I51 R133 W134H50-C118 CarbonylContact C-O 3.56Å; H50-C118 WeakPolarHBondContact CA-O 3.33Å; H50-C118 PolarHBondContact CD2-O 2.89Å; I51-C118 HydrophobicContact CB-CB 4.08Å; I51-C118 HydrophobicContact CD1-CB 4.14Å; I51-C118 HydrophobicContact CG1-CB 4.32Å; I51-C118 PolarHBondContact N-O 2.75Å; I51-C118 PolarHBondContact O-N 2.76Å; C118-R133 VanDerWaalsContact CA-O 3.32Å; C118-R133 WeakPolarHBondContact CA-O 3.39Å; C118-W134 HydrophobicContact CB-CD2 3.66Å; C118-W134 HydrophobicContact CB-CE3 3.55Å; C118-W134 HydrophobicContact CB-CG 4.36Å; C118-W134 HydrophobicContact CB-CH2 3.77Å; C118-W134 HydrophobicContact CB-CZ2 3.91Å; C118-W134 HydrophobicContact CB-CZ3 3.58Å
119L98.4Very high96.7Very high0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-107.8124.5162-161.471.6000108.7D48 H50 Y121 E132 R133 F135 L144 I147 I148D48-L119 HydrophobicContact CB-CD1 3.77Å; D48-L119 HydrophobicContact CB-CD2 4.13Å; D48-L119 HydrophobicContact CB-CG 3.83Å; H50-L119 HydrophobicContact CB-CD1 4.32Å; L119-Y121 HydrophobicContact CD2-CE2 4.38Å; L119-E132 CarbonylContact O-C 3.57Å; L119-E132 VanDerWaalsContact O-CA 3.32Å; L119-E132 WeakPolarHBondContact O-CA 3.36Å; L119-R133 PolarHBondContact N-O 3.2Å; L119-R133 PolarHBondContact O-N 3.39Å; L119-F135 HydrophobicContact CB-CE1 4.47Å; L119-L144 HydrophobicContact CB-CD2 4.18Å; L119-L144 HydrophobicContact CD1-CD2 3.72Å; L119-L144 HydrophobicContact CD2-CD2 4.01Å; L119-L144 HydrophobicContact CG-CD2 4.18Å; L119-I147 HydrophobicContact CB-CG2 4.05Å; L119-I147 HydrophobicContact CD2-CB 4.28Å; L119-I147 HydrophobicContact CD2-CG2 3.77Å; L119-I148 HydrophobicContact CD2-CD1 4.43Å; L119-I148 HydrophobicContact CD2-CG1 3.65Å
120R98.3Very high96.7Very high15 Ų1552.3 Ų52.36%0.05727%0.273CS..EExtended strand (participates in β ladder)trans-130137.8-173.8-174.4177.9-75.6167.7-6111.6D48 Y49 I51 Y122 I129 F131 E132D48-R120 CarbonylContact C-O 3.5Å; D48-R120 WeakPolarHBondContact CA-O 3.37Å; Y49-R120 PolarHBondContact N-O 2.77Å; Y49-R120 PolarHBondContact O-N 2.72Å; I51-R120 HydrophobicContact CD1-CB 4.47Å; R120-Y122 WeakPolarHBondContact CD-OH 3.4Å; R120-Y122 HydrophobicContact CG-CE1 4.48Å; R120-Y122 HydrophobicContact CG-CE2 4.14Å; R120-Y122 PolarHBondContact NH1-OH 2.72Å; R120-I129 HydrophobicContact CG-CG2 4.09Å; R120-F131 CarbonylContact C-O 3.6Å; R120-F131 WeakPolarHBondContact CA-O 3.24Å; R120-E132 HydrophobicContact CB-CB 4.31Å; R120-E132 HydrophobicContact CG-CB 4.15Å; R120-E132 IonicContact CZ-OE2 2.76Å; R120-E132 IonicContact NE-OE2 2.7Å; R120-E132 PolarHBondContact NE-OE2 2.88Å; R120-E132 VanDerWaalsContact NE-OE2 3.16Å; R120-E132 IonicContact NH2-OE2 2.78Å; R120-E132 PolarHBondContact NH2-OE2 2.97Å
121Y98.5Very high96.7Very high4 Ų446 Ų462%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-108.8145.4165.2-65.3-93.9000109K47 D48 L119 L130 F131 F151K47-Y121 HydrophobicContact CB-CD1 4.02Å; K47-Y121 HydrophobicContact CB-CE1 4.14Å; D48-Y121 HydrophobicContact CB-CD1 4.03Å; D48-Y121 HydrophobicContact CB-CD2 4.3Å; D48-Y121 HydrophobicContact CB-CE1 3.48Å; D48-Y121 VanDerWaalsContact CB-CE1 3.48Å; D48-Y121 HydrophobicContact CB-CE2 3.81Å; D48-Y121 HydrophobicContact CB-CG 4.41Å; D48-Y121 VanDerWaalsContact N-CE1 3.35Å; D48-Y121 PolarHBondContact OD1-OH 3.26Å; L119-Y121 HydrophobicContact CD2-CE2 4.38Å; Y121-L130 WeakPolarHBondContact O-CB 3.33Å; Y121-L130 PolarHBondContact O-N 2.91Å; Y121-F131 HydrophobicContact CD2-CB 4.32Å; Y121-F131 AromaticContact CD2-CD1 3.82Å; Y121-F131 HydrophobicContact CD2-CD1 3.82Å; Y121-F131 HydrophobicContact CD2-CG 4.45Å; Y121-F131 HydrophobicContact CE2-CD1 4.29Å; Y121-F131 PolarHBondContact N-O 3.37Å; Y121-F131 PolarHBondContact O-N 2.83Å; Y121-F151 AromaticContact CD1-CD1 3.88Å; Y121-F151 HydrophobicContact CD1-CD1 3.88Å; Y121-F151 AromaticContact CD1-CE1 3.45Å; Y121-F151 HydrophobicContact CD1-CE1 3.45Å; Y121-F151 VanDerWaalsContact CD1-CE1 3.45Å; Y121-F151 HydrophobicContact CD1-CE2 4.22Å; Y121-F151 HydrophobicContact CD1-CG 4.42Å; Y121-F151 AromaticContact CD1-CZ 3.64Å; Y121-F151 HydrophobicContact CD1-CZ 3.64Å; Y121-F151 HydrophobicContact CD2-CB 4.09Å; Y121-F151 AromaticContact CD2-CD1 3.79Å; Y121-F151 HydrophobicContact CD2-CD1 3.79Å; Y121-F151 AromaticContact CD2-CD2 3.62Å; Y121-F151 HydrophobicContact CD2-CD2 3.62Å; Y121-F151 HydrophobicContact CD2-CE1 4.08Å; Y121-F151 AromaticContact CD2-CE2 3.92Å; Y121-F151 HydrophobicContact CD2-CE2 3.92Å; Y121-F151 AromaticContact CD2-CG 3.53Å; Y121-F151 HydrophobicContact CD2-CG 3.53Å; Y121-F151 HydrophobicContact CD2-CZ 4.13Å; Y121-F151 AromaticContact CE1-CD1 3.51Å; Y121-F151 HydrophobicContact CE1-CD1 3.51Å; Y121-F151 AromaticContact CE1-CE1 3.39Å; Y121-F151 HydrophobicContact CE1-CE1 3.39Å; Y121-F151 HydrophobicContact CE1-CG 4.27Å; Y121-F151 HydrophobicContact CE1-CZ 4.09Å; Y121-F151 HydrophobicContact CE2-CB 3.58Å; Y121-F151 AromaticContact CE2-CD1 3.39Å; Y121-F151 HydrophobicContact CE2-CD1 3.39Å; Y121-F151 AromaticContact CE2-CD2 3.94Å; Y121-F151 HydrophobicContact CE2-CD2 3.94Å; Y121-F151 HydrophobicContact CE2-CE1 4.02Å; Y121-F151 HydrophobicContact CE2-CE2 4.5Å; Y121-F151 AromaticContact CE2-CG 3.33Å; Y121-F151 HydrophobicContact CE2-CG 3.33Å; Y121-F151 HydrophobicContact CG-CD1 4.01Å; Y121-F151 AromaticContact CG-CD2 3.97Å; Y121-F151 HydrophobicContact CG-CD2 3.97Å; Y121-F151 AromaticContact CG-CE1 3.8Å; Y121-F151 HydrophobicContact CG-CE1 3.8Å; Y121-F151 AromaticContact CG-CE2 3.75Å; Y121-F151 HydrophobicContact CG-CE2 3.75Å; Y121-F151 HydrophobicContact CG-CG 4.08Å; Y121-F151 AromaticContact CG-CZ 3.66Å; Y121-F151 HydrophobicContact CG-CZ 3.66Å; Y121-F151 AromaticContact CZ-CD1 3.23Å; Y121-F151 AromaticContact CZ-CE1 3.68Å; Y121-F151 AromaticContact CZ-CG 3.73Å
122Y98.3Very high96.7Very high21 Ų2145.5 Ų45.58%0.08225%0.248CC..EExtended strand (participates in β ladder)trans-109156.2177.1-68.5-82.8000110.7Y49 I70 R120 T127 D128Y49-Y122 HydrophobicContact CD1-CE2 4.27Å; Y49-Y122 AromaticContact CD2-CD2 3.57Å; Y49-Y122 HydrophobicContact CD2-CD2 3.57Å; Y49-Y122 AromaticContact CD2-CE2 3.78Å; Y49-Y122 HydrophobicContact CD2-CE2 3.78Å; Y49-Y122 AromaticContact CE2-CD2 3.95Å; Y49-Y122 HydrophobicContact CE2-CD2 3.95Å; Y49-Y122 HydrophobicContact CE2-CE2 4.39Å; Y49-Y122 HydrophobicContact CG-CD2 4.03Å; Y49-Y122 AromaticContact CG-CE2 3.72Å; Y49-Y122 HydrophobicContact CG-CE2 3.72Å; I70-Y122 HydrophobicContact CD1-CE2 4.31Å; I70-Y122 HydrophobicContact CG1-CE2 3.93Å; R120-Y122 WeakPolarHBondContact CD-OH 3.4Å; R120-Y122 HydrophobicContact CG-CE1 4.48Å; R120-Y122 HydrophobicContact CG-CE2 4.14Å; R120-Y122 PolarHBondContact NH1-OH 2.72Å; Y122-T127 VanDerWaalsContact CD1-C 3.47Å; Y122-T127 WeakPolarHBondContact CD1-O 3.05Å; Y122-T127 VanDerWaalsContact CE1-O 3.3Å; Y122-T127 WeakPolarHBondContact CE1-O 3.41Å; Y122-D128 WeakPolarHBondContact CA-O 3.29Å; Y122-D128 WeakPolarHBondContact CD1-O 3.5Å
123V97.6Very high96.8Very high32 Ų3245.4 Ų45.419%0.19424%0.242CC..  trans-64.5139166.8178.60000108.2N125 T126 D128 L130 P162V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 VanDerWaalsContact O-N 3.15Å; V123-T126 HydrophobicContact CG1-CG2 4.5Å; V123-T126 PolarHBondContact O-N 2.95Å; V123-D128 HydrophobicContact CB-CB 4.43Å; V123-D128 HydrophobicContact CG2-CB 4.19Å; V123-D128 PolarHBondContact N-O 2.88Å; V123-L130 HydrophobicContact CG2-CB 4.12Å; V123-L130 HydrophobicContact CG2-CD1 4.33Å; V123-P162 HydrophobicContact CG2-CG 3.83Å
124D92Very high96.8Very high103 Ų10339.5 Ų39.555%0.55121%0.209SC*.THydrogen-bonded Turntrans-55.5123.3-172.3-82.5-15.9000111.5K47 T126K47-D124 IonicContact NZ-OD1 2.72Å; K47-D124 PolarHBondContact NZ-OD1 3.41Å; K47-D124 IonicContact NZ-OD2 3.78Å; K47-D124 PolarHBondContact NZ-OD2 2.85Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 PolarHBondContact O-N 3.09Å
125N88.9Confident96.9Very high162 Ų16235.5 Ų35.587%0.86618%0.182SC*.THydrogen-bonded Turntrans65.715.4-178.4-46.3-62.1000116.2V123V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 VanDerWaalsContact O-N 3.15Å
126T96.2Very high96.9Very high46 Ų4642.3 Ų42.328%0.28221%0.208SC..SBendtrans-126.6168.6170.688.60000110.6H75 V123 D124 D128H75-T126 PolarHBondContact NE2-O 3.28Å; V123-T126 HydrophobicContact CG1-CG2 4.5Å; V123-T126 PolarHBondContact O-N 2.95Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 PolarHBondContact O-N 3.09Å; T126-D128 VanDerWaalsContact C-N 3.34Å; T126-D128 WeakPolarHBondContact CB-OD2 3.13Å; T126-D128 WeakPolarHBondContact OG1-CB 3.46Å; T126-D128 VanDerWaalsContact OG1-CG 3.32Å; T126-D128 PolarHBondContact OG1-N 2.9Å; T126-D128 VanDerWaalsContact OG1-N 3.08Å; T126-D128 PolarHBondContact OG1-OD2 2.95Å
127T96.1Very high96.9Very high57 Ų5742.6 Ų42.635%0.3521%0.21SC..  trans-97.815.8171.349.50000112.9I70 G73 Y122I70-T127 HydrophobicContact CD1-CG2 4.09Å; I70-T127 HydrophobicContact CG2-CG2 4.07Å; G73-T127 WeakPolarHBondContact O-CG2 3.37Å; G73-T127 PolarHBondContact O-OG1 3.02Å; Y122-T127 VanDerWaalsContact CD1-C 3.47Å; Y122-T127 WeakPolarHBondContact CD1-O 3.05Å; Y122-T127 VanDerWaalsContact CE1-O 3.3Å; Y122-T127 WeakPolarHBondContact CE1-O 3.41Å
128D96.4Very high96.7Very high98 Ų9850.6 Ų50.652%0.52425%0.248SC..SBendtrans-74.2134.8172.4-53.8-50.9000110Y122 V123 T126 L130Y122-D128 WeakPolarHBondContact CA-O 3.29Å; Y122-D128 WeakPolarHBondContact CD1-O 3.5Å; V123-D128 HydrophobicContact CB-CB 4.43Å; V123-D128 HydrophobicContact CG2-CB 4.19Å; V123-D128 PolarHBondContact N-O 2.88Å; T126-D128 VanDerWaalsContact C-N 3.34Å; T126-D128 WeakPolarHBondContact CB-OD2 3.13Å; T126-D128 WeakPolarHBondContact OG1-CB 3.46Å; T126-D128 VanDerWaalsContact OG1-CG 3.32Å; T126-D128 PolarHBondContact OG1-N 2.9Å; T126-D128 VanDerWaalsContact OG1-N 3.08Å; T126-D128 PolarHBondContact OG1-OD2 2.95Å; D128-L130 PolarHBondContact O-N 2.77Å
129I97.4Very high96.5Very high36 Ų3652.9 Ų52.919%0.18526%0.26CS..EExtended strand (participates in β ladder)trans-71.5125-178-54.2178.4000109R120 E132 F168R120-I129 HydrophobicContact CG-CG2 4.09Å; I129-E132 HydrophobicContact CG2-CB 4.07Å; I129-E132 HydrophobicContact CG2-CG 4.33Å; I129-F168 HydrophobicContact CB-CD1 4.48Å; I129-F168 HydrophobicContact CB-CD2 3.86Å; I129-F168 HydrophobicContact CB-CE1 4.28Å; I129-F168 HydrophobicContact CB-CE2 3.63Å; I129-F168 HydrophobicContact CB-CG 4.29Å; I129-F168 HydrophobicContact CB-CZ 3.86Å; I129-F168 HydrophobicContact CD1-CB 4.38Å; I129-F168 HydrophobicContact CD1-CD2 4.31Å; I129-F168 HydrophobicContact CD1-CG 4.21Å; I129-F168 HydrophobicContact CG2-CD1 3.78Å; I129-F168 HydrophobicContact CG2-CD2 4.05Å; I129-F168 HydrophobicContact CG2-CE1 3.45Å; I129-F168 VanDerWaalsContact CG2-CE1 3.45Å; I129-F168 HydrophobicContact CG2-CE2 3.75Å; I129-F168 HydrophobicContact CG2-CG 4.07Å; I129-F168 HydrophobicContact CG2-CZ 3.44Å; I129-F168 VanDerWaalsContact CG2-CZ 3.44Å; I129-F168 WeakPolarHBondContact O-CE2 3.23Å; I129-F168 WeakPolarHBondContact O-CZ 3.49Å
130L98.2Very high96.2Very high12 Ų1254.1 Ų54.16%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-92.1-39.8173.4176.762.7000111.4Y121 V123 D128 F151 Q156 K161Y121-L130 WeakPolarHBondContact O-CB 3.33Å; Y121-L130 PolarHBondContact O-N 2.91Å; V123-L130 HydrophobicContact CG2-CB 4.12Å; V123-L130 HydrophobicContact CG2-CD1 4.33Å; D128-L130 PolarHBondContact O-N 2.77Å; L130-F151 HydrophobicContact CD2-CE2 3.97Å; L130-F151 HydrophobicContact CD2-CZ 4.07Å; L130-F151 HydrophobicContact CG-CE2 4.29Å; L130-Q156 HydrophobicContact CD1-CB 3.81Å; L130-Q156 HydrophobicContact CD1-CG 4.44Å; L130-Q156 HydrophobicContact CG-CB 4.09Å; L130-Q156 WeakPolarHBondContact O-CG 3.36Å; L130-K161 WeakPolarHBondContact CD1-O 3.32Å
131F98.1Very high95.7Very high1 Ų155.5 Ų55.50%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-160.3142.1179.8173.9-86.2000108.2R120 Y121 R133 I147 E150 F151R120-F131 CarbonylContact C-O 3.6Å; R120-F131 WeakPolarHBondContact CA-O 3.24Å; Y121-F131 HydrophobicContact CD2-CB 4.32Å; Y121-F131 AromaticContact CD2-CD1 3.82Å; Y121-F131 HydrophobicContact CD2-CD1 3.82Å; Y121-F131 HydrophobicContact CD2-CG 4.45Å; Y121-F131 HydrophobicContact CE2-CD1 4.29Å; Y121-F131 PolarHBondContact N-O 3.37Å; Y121-F131 PolarHBondContact O-N 2.83Å; F131-R133 HydrophobicContact CE1-CB 4.47Å; F131-R133 HydrophobicContact CE1-CG 3.58Å; F131-R133 HydrophobicContact CE2-CG 4.45Å; F131-R133 VanDerWaalsContact CE2-CZ 3.42Å; F131-R133 HydrophobicContact CZ-CG 3.5Å; F131-R133 VanDerWaalsContact CZ-CG 3.5Å; F131-I147 HydrophobicContact CE1-CG2 3.98Å; F131-E150 HydrophobicContact CE2-CG 4.28Å; F131-E150 HydrophobicContact CZ-CB 4.4Å; F131-E150 HydrophobicContact CZ-CG 4.1Å; F131-F151 HydrophobicContact CB-CD2 3.64Å; F131-F151 HydrophobicContact CB-CE2 4Å; F131-F151 HydrophobicContact CD1-CB 4.06Å; F131-F151 HydrophobicContact CD1-CD2 4.04Å; F131-F151 HydrophobicContact CD1-CG 4.4Å; F131-F151 HydrophobicContact CD2-CD2 4.15Å; F131-F151 HydrophobicContact CE1-CB 3.95Å; F131-F151 HydrophobicContact CE2-CB 4.48Å; F131-F151 HydrophobicContact CG-CB 4.36Å; F131-F151 AromaticContact CG-CD2 3.7Å; F131-F151 HydrophobicContact CG-CD2 3.7Å; F131-F151 HydrophobicContact CG-CG 4.45Å; F131-F151 HydrophobicContact CZ-CB 4.17Å
132E97.4Very high95.4Very high8 Ų859.5 Ų59.54%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-146.6148.5170.975.417917800112.4L119 R120 I129 W134 F168 R169L119-E132 CarbonylContact O-C 3.57Å; L119-E132 VanDerWaalsContact O-CA 3.32Å; L119-E132 WeakPolarHBondContact O-CA 3.36Å; R120-E132 HydrophobicContact CB-CB 4.31Å; R120-E132 HydrophobicContact CG-CB 4.15Å; R120-E132 IonicContact CZ-OE2 2.76Å; R120-E132 IonicContact NE-OE2 2.7Å; R120-E132 PolarHBondContact NE-OE2 2.88Å; R120-E132 VanDerWaalsContact NE-OE2 3.16Å; R120-E132 IonicContact NH2-OE2 2.78Å; R120-E132 PolarHBondContact NH2-OE2 2.97Å; I129-E132 HydrophobicContact CG2-CB 4.07Å; I129-E132 HydrophobicContact CG2-CG 4.33Å; E132-W134 PolarHBondContact OE1-NE1 2.88Å; E132-W134 PolarHBondContact OE2-NE1 3.41Å; E132-F168 HydrophobicContact CG-CD1 3.62Å; E132-F168 HydrophobicContact CG-CE1 4.1Å; E132-F168 WeakPolarHBondContact OE1-CB 3.36Å; E132-R169 PolarHBondContact OE1-N 3.15Å
133R97.5Very high95.3Very high71 Ų7161 Ų6127%0.26832%0.318SS..EExtended strand (participates in β ladder)trans-136.3126.4168.5-65.9-67176.8-99.25.3109.8C118 L119 F131 I147 E150 E166C118-R133 VanDerWaalsContact CA-O 3.32Å; C118-R133 WeakPolarHBondContact CA-O 3.39Å; L119-R133 PolarHBondContact N-O 3.2Å; L119-R133 PolarHBondContact O-N 3.39Å; F131-R133 HydrophobicContact CE1-CB 4.47Å; F131-R133 HydrophobicContact CE1-CG 3.58Å; F131-R133 HydrophobicContact CE2-CG 4.45Å; F131-R133 VanDerWaalsContact CE2-CZ 3.42Å; F131-R133 HydrophobicContact CZ-CG 3.5Å; F131-R133 VanDerWaalsContact CZ-CG 3.5Å; R133-I147 HydrophobicContact CB-CD1 4.3Å; R133-I147 HydrophobicContact CB-CG1 4.44Å; R133-I147 HydrophobicContact CB-CG2 3.81Å; R133-I147 HydrophobicContact CG-CG2 3.9Å; R133-E150 IonicContact CZ-OE1 3.16Å; R133-E150 IonicContact NE-OE1 3.36Å; R133-E150 PolarHBondContact NE-OE1 3.27Å; R133-E150 IonicContact NE-OE2 3.65Å; R133-E150 PolarHBondContact NE-OE2 2.92Å; R133-E150 IonicContact NH2-OE1 2.73Å; R133-E150 PolarHBondContact NH2-OE1 2.82Å; R133-E166 IonicContact CZ-OE1 3.49Å; R133-E166 IonicContact NH1-OE1 3.2Å; R133-E166 PolarHBondContact NH1-OE1 3.09Å; R133-E166 IonicContact NH2-OE1 3.39Å
134W97.6Very high95.1Very high44 Ų4460.1 Ų60.117%0.16731%0.312CS..EExtended strand (participates in β ladder)trans-95.2136.8173.8-6788.8000110D117 C118 E132 P171 P172 F173 M175D117-W134 CarbonylContact O-C 3.58Å; D117-W134 WeakPolarHBondContact O-CA 3.07Å; C118-W134 HydrophobicContact CB-CD2 3.66Å; C118-W134 HydrophobicContact CB-CE3 3.55Å; C118-W134 HydrophobicContact CB-CG 4.36Å; C118-W134 HydrophobicContact CB-CH2 3.77Å; C118-W134 HydrophobicContact CB-CZ2 3.91Å; C118-W134 HydrophobicContact CB-CZ3 3.58Å; E132-W134 PolarHBondContact OE1-NE1 2.88Å; E132-W134 PolarHBondContact OE2-NE1 3.41Å; W134-P171 HydrophobicContact CH2-CB 4.08Å; W134-P171 HydrophobicContact CZ2-CB 3.98Å; W134-P171 HydrophobicContact CZ2-CG 4.31Å; W134-P172 HydrophobicContact CD2-CG 4.45Å; W134-P172 HydrophobicContact CE3-CG 3.75Å; W134-P172 VanDerWaalsContact CH2-CD 3.46Å; W134-P172 HydrophobicContact CH2-CG 4.24Å; W134-P172 HydrophobicContact CZ3-CG 3.65Å; W134-F173 HydrophobicContact CH2-CE1 4.17Å; W134-F173 HydrophobicContact CH2-CE2 4.13Å; W134-F173 AromaticContact CH2-CZ 3.68Å; W134-F173 HydrophobicContact CH2-CZ 3.68Å; W134-F173 AromaticContact CZ3-CE1 3.6Å; W134-F173 HydrophobicContact CZ3-CE1 3.6Å; W134-F173 HydrophobicContact CZ3-CE2 4.36Å; W134-F173 AromaticContact CZ3-CZ 3.48Å; W134-F173 HydrophobicContact CZ3-CZ 3.48Å; W134-F173 VanDerWaalsContact CZ3-CZ 3.48Å; W134-M175 HydrophobicContact CH2-CE 3.86Å; W134-M175 HydrophobicContact CZ2-CE 4.19Å
135F97.3Very high95.2Very high27 Ų2758.5 Ų58.512%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-152.5157.4-177.961.5-80.5000112.2D117 L119 C137 L140 Q143 L144 I147D117-F135 HydrophobicContact CB-CD1 4.49Å; D117-F135 HydrophobicContact CB-CD2 4.37Å; D117-F135 HydrophobicContact CB-CE1 3.99Å; D117-F135 HydrophobicContact CB-CE2 3.86Å; D117-F135 HydrophobicContact CB-CZ 3.64Å; D117-F135 PolarHBondContact N-O 3.04Å; D117-F135 PolarHBondContact O-N 3.29Å; L119-F135 HydrophobicContact CB-CE1 4.47Å; F135-C137 HydrophobicContact CD2-CB 4.19Å; F135-C137 HydrophobicContact CE2-CB 3.8Å; F135-L140 HydrophobicContact CE2-CD1 4.32Å; F135-L140 HydrophobicContact CZ-CD1 4.05Å; F135-Q143 HydrophobicContact CD2-CB 4.38Å; F135-Q143 HydrophobicContact CE2-CB 4.21Å; F135-L144 HydrophobicContact CE1-CD2 4.28Å; F135-L144 HydrophobicContact CZ-CD2 3.83Å; F135-I147 HydrophobicContact CD1-CD1 3.45Å; F135-I147 VanDerWaalsContact CD1-CD1 3.45Å; F135-I147 HydrophobicContact CE1-CD1 3.59Å; F135-I147 HydrophobicContact CG-CD1 4.05Å; F135-I147 HydrophobicContact CZ-CD1 4.27Å
136Y97.4Very high95.6Very high144 Ų14454.4 Ų54.457%0.56529%0.288SS*.  trans-81.6121.4167.3-67.4-77.8000108.7L113 E115 T116 Q143L113-Y136 WeakPolarHBondContact O-CE1 3.47Å; E115-Y136 WeakPolarHBondContact O-CD1 3.31Å; T116-Y136 HydrophobicContact CG2-CD1 3.92Å; T116-Y136 HydrophobicContact CG2-CE1 3.59Å; Y136-Q143 PolarHBondContact O-NE2 3.35Å
137C96.8Very high95.7Very high13 Ų1353 Ų539%0.08828%0.279CS..  trans-94111.9-174.9-175.10000111.3R111 D117 F135R111-C137 HydrophobicContact CG-CB 3.86Å; R111-C137 WeakPolarHBondContact CG-O 3.43Å; D117-C137 HydrophobicContact CB-CB 3.97Å; D117-C137 VanDerWaalsContact CG-CB 3.43Å; D117-C137 WeakPolarHBondContact OD1-CB 3.28Å; F135-C137 HydrophobicContact CD2-CB 4.19Å; F135-C137 HydrophobicContact CE2-CB 3.8Å
138E94.6Very high95.7Very high168 Ų16852.5 Ų52.579%0.78527%0.273SS*.SBendtrans-103.5-37.9170-65.5-177.8-179.600111.2F32F32-E138 WeakPolarHBondContact CZ-O 3.24Å
139N93.7Very high95.8Very high48 Ų4854.6 Ų54.626%0.25728%0.278SS..  trans-146.395.4175.4-176.3-43.2000109.9F32 G141 T142 Q143F32-N139 HydrophobicContact CZ-CB 4.03Å; N139-G141 PolarHBondContact O-N 2.74Å; N139-G141 PolarHBondContact OD1-N 2.9Å; N139-T142 WeakPolarHBondContact CB-OG1 3.42Å; N139-T142 PolarHBondContact O-N 3.39Å; N139-T142 PolarHBondContact O-OG1 2.95Å; N139-T142 WeakPolarHBondContact OD1-CG2 3.23Å; N139-T142 PolarHBondContact OD1-N 2.96Å; N139-T142 VanDerWaalsContact OD1-N 3.16Å; N139-T142 PolarHBondContact OD1-OG1 2.82Å; N139-Q143 WeakPolarHBondContact O-CB 3.47Å; N139-Q143 WeakPolarHBondContact O-CG 3.47Å; N139-Q143 PolarHBondContact O-N 2.79Å; N139-Q143 PolarHBondContact O-OE1 2.95Å
140L92.2Very high95.8Very high27 Ų2757 Ų5714%0.14129%0.288CS..Hα-helixtrans-52-50.9-175-170.564.4000112.3F135 T142 Q143 L144F135-L140 HydrophobicContact CE2-CD1 4.32Å; F135-L140 HydrophobicContact CZ-CD1 4.05Å; L140-T142 VanDerWaalsContact C-N 3.28Å; L140-T142 PolarHBondContact O-N 2.91Å; L140-Q143 PolarHBondContact O-N 3.27Å; L140-L144 HydrophobicContact CD1-CD1 3.83Å; L140-L144 HydrophobicContact CD1-CD2 3.96Å; L140-L144 HydrophobicContact CD1-CG 3.76Å; L140-L144 HydrophobicContact CD2-CD1 4.4Å; L140-L144 HydrophobicContact CG-CD1 3.72Å; L140-L144 HydrophobicContact CG-CG 4.02Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 VanDerWaalsContact O-CG 3.22Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.23Å
141G88.2Confident95.8Very high43 Ų4357 Ų5744%0.44329%0.288SS..Hα-helixtrans-58.2-38.4-17700000113.5N139 V145N139-G141 PolarHBondContact O-N 2.74Å; N139-G141 PolarHBondContact OD1-N 2.9Å; G141-V145 WeakPolarHBondContact O-CG2 3.32Å
142T92.3Very high95.8Very high88 Ų8862.6 Ų62.654%0.5432%0.315SS..Hα-helixtrans-79.4-35.8178.3630000113.2N139 L140 P146N139-T142 WeakPolarHBondContact CB-OG1 3.42Å; N139-T142 PolarHBondContact O-N 3.39Å; N139-T142 PolarHBondContact O-OG1 2.95Å; N139-T142 WeakPolarHBondContact OD1-CG2 3.23Å; N139-T142 PolarHBondContact OD1-N 2.96Å; N139-T142 VanDerWaalsContact OD1-N 3.16Å; N139-T142 PolarHBondContact OD1-OG1 2.82Å; L140-T142 VanDerWaalsContact C-N 3.28Å; L140-T142 PolarHBondContact O-N 2.91Å; T142-P146 WeakPolarHBondContact O-CD 3.41Å
143Q95.4Very high95.8Very high53 Ų5365.5 Ų65.525%0.24834%0.341CS..Hα-helixtrans-82-25.1-174.4-68.9177.7-84.200113.1F135 Y136 N139 L140 P146F135-Q143 HydrophobicContact CD2-CB 4.38Å; F135-Q143 HydrophobicContact CE2-CB 4.21Å; Y136-Q143 PolarHBondContact O-NE2 3.35Å; N139-Q143 WeakPolarHBondContact O-CB 3.47Å; N139-Q143 WeakPolarHBondContact O-CG 3.47Å; N139-Q143 PolarHBondContact O-N 2.79Å; N139-Q143 PolarHBondContact O-OE1 2.95Å; L140-Q143 PolarHBondContact O-N 3.27Å; Q143-P146 VanDerWaalsContact O-CD 3.31Å; Q143-P146 WeakPolarHBondContact O-CD 3.38Å; Q143-P146 WeakPolarHBondContact O-CG 3.29Å
144L94.6Very high95.8Very high13 Ų1363 Ų637%0.06833%0.334CS..Hα-helixtrans-69.5-34.5174.4-70.7-177.8000112.9L119 F135 L140 I147 I148L119-L144 HydrophobicContact CB-CD2 4.18Å; L119-L144 HydrophobicContact CD1-CD2 3.72Å; L119-L144 HydrophobicContact CD2-CD2 4.01Å; L119-L144 HydrophobicContact CG-CD2 4.18Å; F135-L144 HydrophobicContact CE1-CD2 4.28Å; F135-L144 HydrophobicContact CZ-CD2 3.83Å; L140-L144 HydrophobicContact CD1-CD1 3.83Å; L140-L144 HydrophobicContact CD1-CD2 3.96Å; L140-L144 HydrophobicContact CD1-CG 3.76Å; L140-L144 HydrophobicContact CD2-CD1 4.4Å; L140-L144 HydrophobicContact CG-CD1 3.72Å; L140-L144 HydrophobicContact CG-CG 4.02Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 VanDerWaalsContact O-CG 3.22Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.23Å; L144-I147 PolarHBondContact O-N 2.85Å; L144-I148 HydrophobicContact CB-CD1 4.18Å; L144-I148 VanDerWaalsContact O-CG1 3.28Å; L144-I148 WeakPolarHBondContact O-CG1 3.49Å; L144-I148 PolarHBondContact O-N 3.05Å
145V94Very high95.7Very high69 Ų6965.9 Ų65.942%0.41835%0.352SS..Hα-helixtrans-54.7-51.7-177.21740000113.5G141 K149G141-V145 WeakPolarHBondContact O-CG2 3.32Å; V145-K149 HydrophobicContact CG1-CD 4.18Å; V145-K149 WeakPolarHBondContact O-CG 3.37Å; V145-K149 PolarHBondContact O-N 2.94Å
146P96.9Very high95.8Very high77 Ų7765.2 Ų65.250%0.535%0.35SS..Hα-helixtrans-64.5-37.5177.823.9-33.6000112.9T142 Q143 K149 E150T142-P146 WeakPolarHBondContact O-CD 3.41Å; Q143-P146 VanDerWaalsContact O-CD 3.31Å; Q143-P146 WeakPolarHBondContact O-CD 3.38Å; Q143-P146 WeakPolarHBondContact O-CG 3.29Å; P146-K149 PolarHBondContact O-N 2.94Å; P146-E150 WeakPolarHBondContact O-CB 3.28Å; P146-E150 PolarHBondContact O-N 3.27Å
147I97.7Very high95.7Very high17 Ų1760.1 Ų60.19%0.08734%0.338CS..Hα-helixtrans-65.4-43.8178.9-60.1171.8000110.8L119 F131 R133 F135 L144 K149 E150 F151L119-I147 HydrophobicContact CB-CG2 4.05Å; L119-I147 HydrophobicContact CD2-CB 4.28Å; L119-I147 HydrophobicContact CD2-CG2 3.77Å; F131-I147 HydrophobicContact CE1-CG2 3.98Å; R133-I147 HydrophobicContact CB-CD1 4.3Å; R133-I147 HydrophobicContact CB-CG1 4.44Å; R133-I147 HydrophobicContact CB-CG2 3.81Å; R133-I147 HydrophobicContact CG-CG2 3.9Å; F135-I147 HydrophobicContact CD1-CD1 3.45Å; F135-I147 VanDerWaalsContact CD1-CD1 3.45Å; F135-I147 HydrophobicContact CE1-CD1 3.59Å; F135-I147 HydrophobicContact CG-CD1 4.05Å; F135-I147 HydrophobicContact CZ-CD1 4.27Å; L144-I147 PolarHBondContact O-N 2.85Å; I147-K149 VanDerWaalsContact C-N 3.33Å; I147-K149 PolarHBondContact O-N 2.88Å; I147-E150 WeakPolarHBondContact O-CB 3.4Å; I147-E150 PolarHBondContact O-N 3.29Å; I147-F151 PolarHBondContact O-N 3.16Å
148I96.8Very high95.7Very high45 Ų4566.5 Ų66.523%0.23136%0.364CS..Hα-helixtrans-62.6-43.3175.9-66.8165.8000110.1L119 L144 E150 F151 M152L119-I148 HydrophobicContact CD2-CD1 4.43Å; L119-I148 HydrophobicContact CD2-CG1 3.65Å; L144-I148 HydrophobicContact CB-CD1 4.18Å; L144-I148 VanDerWaalsContact O-CG1 3.28Å; L144-I148 WeakPolarHBondContact O-CG1 3.49Å; L144-I148 PolarHBondContact O-N 3.05Å; I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 2.89Å; I148-F151 PolarHBondContact O-N 2.66Å; I148-M152 HydrophobicContact CG2-CE 4.27Å; I148-M152 HydrophobicContact CG2-CG 4.25Å; I148-M152 WeakPolarHBondContact O-CB 3.41Å; I148-M152 WeakPolarHBondContact O-CG 3.2Å; I148-M152 PolarHBondContact O-N 2.81Å
149K97.5Very high95.8Very high142 Ų14262.5 Ų62.562%0.61735%0.351SS*.Hα-helixtrans-62.2-40.3176.5-75.7175.9179.3178.90112.3V145 P146 I147 M152 A153V145-K149 HydrophobicContact CG1-CD 4.18Å; V145-K149 WeakPolarHBondContact O-CG 3.37Å; V145-K149 PolarHBondContact O-N 2.94Å; P146-K149 PolarHBondContact O-N 2.94Å; I147-K149 VanDerWaalsContact C-N 3.33Å; I147-K149 PolarHBondContact O-N 2.88Å; K149-M152 PolarHBondContact O-N 2.77Å; K149-A153 WeakPolarHBondContact O-CB 3.12Å; K149-A153 PolarHBondContact O-N 3.16Å; K149-A153 VanDerWaalsContact O-N 3.09Å
150E98Very high96Very high86 Ų8661.8 Ų61.840%0.40236%0.355SS..Hα-helixtrans-59-51.4174.3-175.2-171.9166.800110.7F131 R133 P146 I147 I148 M152 A153 S154F131-E150 HydrophobicContact CE2-CG 4.28Å; F131-E150 HydrophobicContact CZ-CB 4.4Å; F131-E150 HydrophobicContact CZ-CG 4.1Å; R133-E150 IonicContact CZ-OE1 3.16Å; R133-E150 IonicContact NE-OE1 3.36Å; R133-E150 PolarHBondContact NE-OE1 3.27Å; R133-E150 IonicContact NE-OE2 3.65Å; R133-E150 PolarHBondContact NE-OE2 2.92Å; R133-E150 IonicContact NH2-OE1 2.73Å; R133-E150 PolarHBondContact NH2-OE1 2.82Å; P146-E150 WeakPolarHBondContact O-CB 3.28Å; P146-E150 PolarHBondContact O-N 3.27Å; I147-E150 WeakPolarHBondContact O-CB 3.4Å; I147-E150 PolarHBondContact O-N 3.29Å; I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 2.89Å; E150-M152 PolarHBondContact O-N 3.45Å; E150-A153 PolarHBondContact O-N 2.92Å; E150-S154 PolarHBondContact O-N 2.7Å
151F97.8Very high96.2Very high14 Ų1467.4 Ų67.46%0.06138%0.378CS..Hα-helixtrans-57.5-50176.8171.7-107.9000111.4Y121 L130 F131 I147 I148 A153 S154 A157Y121-F151 AromaticContact CD1-CD1 3.88Å; Y121-F151 HydrophobicContact CD1-CD1 3.88Å; Y121-F151 AromaticContact CD1-CE1 3.45Å; Y121-F151 HydrophobicContact CD1-CE1 3.45Å; Y121-F151 VanDerWaalsContact CD1-CE1 3.45Å; Y121-F151 HydrophobicContact CD1-CE2 4.22Å; Y121-F151 HydrophobicContact CD1-CG 4.42Å; Y121-F151 AromaticContact CD1-CZ 3.64Å; Y121-F151 HydrophobicContact CD1-CZ 3.64Å; Y121-F151 HydrophobicContact CD2-CB 4.09Å; Y121-F151 AromaticContact CD2-CD1 3.79Å; Y121-F151 HydrophobicContact CD2-CD1 3.79Å; Y121-F151 AromaticContact CD2-CD2 3.62Å; Y121-F151 HydrophobicContact CD2-CD2 3.62Å; Y121-F151 HydrophobicContact CD2-CE1 4.08Å; Y121-F151 AromaticContact CD2-CE2 3.92Å; Y121-F151 HydrophobicContact CD2-CE2 3.92Å; Y121-F151 AromaticContact CD2-CG 3.53Å; Y121-F151 HydrophobicContact CD2-CG 3.53Å; Y121-F151 HydrophobicContact CD2-CZ 4.13Å; Y121-F151 AromaticContact CE1-CD1 3.51Å; Y121-F151 HydrophobicContact CE1-CD1 3.51Å; Y121-F151 AromaticContact CE1-CE1 3.39Å; Y121-F151 HydrophobicContact CE1-CE1 3.39Å; Y121-F151 HydrophobicContact CE1-CG 4.27Å; Y121-F151 HydrophobicContact CE1-CZ 4.09Å; Y121-F151 HydrophobicContact CE2-CB 3.58Å; Y121-F151 AromaticContact CE2-CD1 3.39Å; Y121-F151 HydrophobicContact CE2-CD1 3.39Å; Y121-F151 AromaticContact CE2-CD2 3.94Å; Y121-F151 HydrophobicContact CE2-CD2 3.94Å; Y121-F151 HydrophobicContact CE2-CE1 4.02Å; Y121-F151 HydrophobicContact CE2-CE2 4.5Å; Y121-F151 AromaticContact CE2-CG 3.33Å; Y121-F151 HydrophobicContact CE2-CG 3.33Å; Y121-F151 HydrophobicContact CG-CD1 4.01Å; Y121-F151 AromaticContact CG-CD2 3.97Å; Y121-F151 HydrophobicContact CG-CD2 3.97Å; Y121-F151 AromaticContact CG-CE1 3.8Å; Y121-F151 HydrophobicContact CG-CE1 3.8Å; Y121-F151 AromaticContact CG-CE2 3.75Å; Y121-F151 HydrophobicContact CG-CE2 3.75Å; Y121-F151 HydrophobicContact CG-CG 4.08Å; Y121-F151 AromaticContact CG-CZ 3.66Å; Y121-F151 HydrophobicContact CG-CZ 3.66Å; Y121-F151 AromaticContact CZ-CD1 3.23Å; Y121-F151 AromaticContact CZ-CE1 3.68Å; Y121-F151 AromaticContact CZ-CG 3.73Å; L130-F151 HydrophobicContact CD2-CE2 3.97Å; L130-F151 HydrophobicContact CD2-CZ 4.07Å; L130-F151 HydrophobicContact CG-CE2 4.29Å; F131-F151 HydrophobicContact CB-CD2 3.64Å; F131-F151 HydrophobicContact CB-CE2 4Å; F131-F151 HydrophobicContact CD1-CB 4.06Å; F131-F151 HydrophobicContact CD1-CD2 4.04Å; F131-F151 HydrophobicContact CD1-CG 4.4Å; F131-F151 HydrophobicContact CD2-CD2 4.15Å; F131-F151 HydrophobicContact CE1-CB 3.95Å; F131-F151 HydrophobicContact CE2-CB 4.48Å; F131-F151 HydrophobicContact CG-CB 4.36Å; F131-F151 AromaticContact CG-CD2 3.7Å; F131-F151 HydrophobicContact CG-CD2 3.7Å; F131-F151 HydrophobicContact CG-CG 4.45Å; F131-F151 HydrophobicContact CZ-CB 4.17Å; I147-F151 PolarHBondContact O-N 3.16Å; I148-F151 PolarHBondContact O-N 2.66Å; F151-A153 PolarHBondContact O-N 2.69Å; F151-A153 VanDerWaalsContact O-N 3.15Å; F151-S154 WeakPolarHBondContact O-CB 3.38Å; F151-S154 PolarHBondContact O-N 2.8Å; F151-S154 PolarHBondContact O-OG 2.9Å; F151-A157 HydrophobicContact CD1-CB 4.22Å; F151-A157 HydrophobicContact CD2-CB 4.21Å; F151-A157 HydrophobicContact CE1-CB 3.89Å; F151-A157 HydrophobicContact CE2-CB 3.88Å; F151-A157 HydrophobicContact CG-CB 4.39Å; F151-A157 HydrophobicContact CZ-CB 3.71Å; F151-A157 WeakPolarHBondContact O-CB 3.33Å
152M97.6Very high96.6Very high118 Ų11868 Ų6858%0.58137%0.374SS*.Hα-helixtrans-61.7-26.4-177.9-66.8-66175.400113.3I148 K149 E150I148-M152 HydrophobicContact CG2-CE 4.27Å; I148-M152 HydrophobicContact CG2-CG 4.25Å; I148-M152 WeakPolarHBondContact O-CB 3.41Å; I148-M152 WeakPolarHBondContact O-CG 3.2Å; I148-M152 PolarHBondContact O-N 2.81Å; K149-M152 PolarHBondContact O-N 2.77Å; E150-M152 PolarHBondContact O-N 3.45Å
153A97.9Very high96.7Very high69 Ų6966.7 Ų66.757%0.5736%0.364SS*.Hα-helixtrans-84.9-14.5175.700000113.7K149 E150 F151K149-A153 WeakPolarHBondContact O-CB 3.12Å; K149-A153 PolarHBondContact O-N 3.16Å; K149-A153 VanDerWaalsContact O-N 3.09Å; E150-A153 PolarHBondContact O-N 2.92Å; F151-A153 PolarHBondContact O-N 2.69Å; F151-A153 VanDerWaalsContact O-N 3.15Å
154S97.3Very high96.5Very high17 Ų1769.9 Ų69.912%0.11939%0.389CS..SBendtrans-73.4163.5-171.577.90000113.7E150 F151 Q156 A157 K158E150-S154 PolarHBondContact O-N 2.7Å; F151-S154 WeakPolarHBondContact O-CB 3.38Å; F151-S154 PolarHBondContact O-N 2.8Å; F151-S154 PolarHBondContact O-OG 2.9Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact OG-N 2.76Å; S154-A157 PolarHBondContact OG-N 3.45Å; S154-A157 VanDerWaalsContact OG-N 3.08Å; S154-K158 WeakPolarHBondContact O-CG 3.21Å; S154-K158 PolarHBondContact O-N 3.06Å
155N96.8Very high96.4Very high105 Ų10576 Ų7656%0.56142%0.422SS*.Hα-helixtrans-73.3-29.3171.7-76.7-24.4000111.3A157 K158 T159N155-A157 VanDerWaalsContact C-N 3.33Å; N155-A157 PolarHBondContact O-N 3.12Å; N155-K158 PolarHBondContact O-N 2.72Å; N155-T159 WeakPolarHBondContact O-CB 3.45Å; N155-T159 WeakPolarHBondContact O-CG2 3.14Å; N155-T159 PolarHBondContact O-N 2.99Å; N155-T159 PolarHBondContact O-OG1 3.28Å
156Q97.6Very high96.3Very high14 Ų1474.7 Ų74.77%0.06541%0.411CS..Hα-helixtrans-59.5-44.3175.2-61.493.4-48.700110.6L130 S154 K158 G160 K161 D163 E166L130-Q156 HydrophobicContact CD1-CB 3.81Å; L130-Q156 HydrophobicContact CD1-CG 4.44Å; L130-Q156 HydrophobicContact CG-CB 4.09Å; L130-Q156 WeakPolarHBondContact O-CG 3.36Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact OG-N 2.76Å; Q156-K158 PolarHBondContact O-N 3.29Å; Q156-G160 VanDerWaalsContact O-CA 3.29Å; Q156-G160 WeakPolarHBondContact O-CA 3.36Å; Q156-G160 PolarHBondContact O-N 2.94Å; Q156-K161 WeakPolarHBondContact CA-O 3.19Å; Q156-D163 HydrophobicContact CG-CB 4.06Å; Q156-E166 PolarHBondContact NE2-OE2 3.22Å
157A97.1Very high95.9Very high37 Ų3777.6 Ų77.631%0.30643%0.427SS..Hα-helixtrans-66.5-35.4175.200000113.3F151 S154 N155F151-A157 HydrophobicContact CD1-CB 4.22Å; F151-A157 HydrophobicContact CD2-CB 4.21Å; F151-A157 HydrophobicContact CE1-CB 3.89Å; F151-A157 HydrophobicContact CE2-CB 3.88Å; F151-A157 HydrophobicContact CG-CB 4.39Å; F151-A157 HydrophobicContact CZ-CB 3.71Å; F151-A157 WeakPolarHBondContact O-CB 3.33Å; S154-A157 PolarHBondContact OG-N 3.45Å; S154-A157 VanDerWaalsContact OG-N 3.08Å; N155-A157 VanDerWaalsContact C-N 3.33Å; N155-A157 PolarHBondContact O-N 3.12Å
158K96.6Very high95.6Very high146 Ų14679.7 Ų79.764%0.63544%0.436SS*.Hα-helixtrans-72.7-36.7178.8-68.2170.9-167.7161.90113S154 N155 Q156S154-K158 WeakPolarHBondContact O-CG 3.21Å; S154-K158 PolarHBondContact O-N 3.06Å; N155-K158 PolarHBondContact O-N 2.72Å; Q156-K158 PolarHBondContact O-N 3.29Å
159T96.7Very high95.2Very high84 Ų8484.6 Ų84.652%0.51545%0.452SS..Hα-helixtrans-103.6-19.4-170.7630000113.5N155 K161N155-T159 WeakPolarHBondContact O-CB 3.45Å; N155-T159 WeakPolarHBondContact O-CG2 3.14Å; N155-T159 PolarHBondContact O-N 2.99Å; N155-T159 PolarHBondContact O-OG1 3.28Å; T159-K161 PolarHBondContact O-N 3.3Å; T159-K161 PolarHBondContact OG1-N 2.88Å
160G96.8Very high95Very high33 Ų3385.6 Ų85.634%0.3446%0.459SS..SBendtrans67.216.5-171.600000113.5Q156Q156-G160 VanDerWaalsContact O-CA 3.29Å; Q156-G160 WeakPolarHBondContact O-CA 3.36Å; Q156-G160 PolarHBondContact O-N 2.94Å
161K97Very high94.7Very high145 Ų14583.7 Ų83.763%0.6345%0.453SS*.SBendtrans-116.9141.4-177.9-64.9-178.3-179-178.20110.6L130 Q156 T159L130-K161 WeakPolarHBondContact CD1-O 3.32Å; Q156-K161 WeakPolarHBondContact CA-O 3.19Å; T159-K161 PolarHBondContact O-N 3.3Å; T159-K161 PolarHBondContact OG1-N 2.88Å
162P95.7Very high94.6Very high56 Ų5685.6 Ų85.636%0.36447%0.468SS..  trans-57.7146.9171.6-21.933.3000110.9V123V123-P162 HydrophobicContact CG2-CG 3.83Å
163D94.6Very high94.4Very high60 Ų6081 Ų8132%0.32144%0.444SS..  trans-73.5120.6170.3-176-17.9000108.6Q156 D165 E166Q156-D163 HydrophobicContact CG-CB 4.06Å; D163-D165 PolarHBondContact O-N 2.79Å; D163-D165 PolarHBondContact OD1-N 2.73Å; D163-E166 HydrophobicContact CB-CB 3.81Å; D163-E166 PolarHBondContact O-N 3.21Å; D163-E166 VanDerWaalsContact O-N 3.12Å
164P91.1Very high94.3Very high121 Ų12184.5 Ų84.579%0.78645%0.449SS*.THydrogen-bonded Turntrans-64.9-20.5-177.328.2-36.6000113.6
165D92.9Very high94.2Very high142 Ų14286 Ų8676%0.75945%0.454SS*.THydrogen-bonded Turntrans-92-9.3178.5-62.7-38.6000112.1D163 V167D163-D165 PolarHBondContact O-N 2.79Å; D163-D165 PolarHBondContact OD1-N 2.73Å; D165-V167 PolarHBondContact O-N 3.31Å
166E91.8Very high94.1Very high40 Ų4082.8 Ų82.819%0.18744%0.437CS..  trans-80.6117.5177.6-173.6166.9-149.500110.7R133 Q156 D163 F168R133-E166 IonicContact CZ-OE1 3.49Å; R133-E166 IonicContact NH1-OE1 3.2Å; R133-E166 PolarHBondContact NH1-OE1 3.09Å; R133-E166 IonicContact NH2-OE1 3.39Å; Q156-E166 PolarHBondContact NE2-OE2 3.22Å; D163-E166 HydrophobicContact CB-CB 3.81Å; D163-E166 PolarHBondContact O-N 3.21Å; D163-E166 VanDerWaalsContact O-N 3.12Å; E166-F168 HydrophobicContact CG-CD1 4.3Å; E166-F168 HydrophobicContact CG-CE1 3.88Å; E166-F168 HydrophobicContact CG-CZ 4.36Å
167V89.5Confident94Very high138 Ų13886.5 Ų86.584%0.83646%0.461SS*.  trans-98.3112.5174.5-177.40000108.8D165D165-V167 PolarHBondContact O-N 3.31Å
168F91.1Very high93.9Very high62 Ų6288.6 Ų88.627%0.27247%0.465SS..PPolyproline II helixtrans-69141.3176.2-64.1-53.4000111.5I129 E132 E166I129-F168 HydrophobicContact CB-CD1 4.48Å; I129-F168 HydrophobicContact CB-CD2 3.86Å; I129-F168 HydrophobicContact CB-CE1 4.28Å; I129-F168 HydrophobicContact CB-CE2 3.63Å; I129-F168 HydrophobicContact CB-CG 4.29Å; I129-F168 HydrophobicContact CB-CZ 3.86Å; I129-F168 HydrophobicContact CD1-CB 4.38Å; I129-F168 HydrophobicContact CD1-CD2 4.31Å; I129-F168 HydrophobicContact CD1-CG 4.21Å; I129-F168 HydrophobicContact CG2-CD1 3.78Å; I129-F168 HydrophobicContact CG2-CD2 4.05Å; I129-F168 HydrophobicContact CG2-CE1 3.45Å; I129-F168 VanDerWaalsContact CG2-CE1 3.45Å; I129-F168 HydrophobicContact CG2-CE2 3.75Å; I129-F168 HydrophobicContact CG2-CG 4.07Å; I129-F168 HydrophobicContact CG2-CZ 3.44Å; I129-F168 VanDerWaalsContact CG2-CZ 3.44Å; I129-F168 WeakPolarHBondContact O-CE2 3.23Å; I129-F168 WeakPolarHBondContact O-CZ 3.49Å; E132-F168 HydrophobicContact CG-CD1 3.62Å; E132-F168 HydrophobicContact CG-CE1 4.1Å; E132-F168 WeakPolarHBondContact OE1-CB 3.36Å; E166-F168 HydrophobicContact CG-CD1 4.3Å; E166-F168 HydrophobicContact CG-CE1 3.88Å; E166-F168 HydrophobicContact CG-CZ 4.36Å
169R88.6Confident93.9Very high148 Ų14887.1 Ų87.156%0.55847%0.465SS*.PPolyproline II helixtrans-78.3137.9-179.9-172.2-166.8166.8167.4-2.9108.1E132E132-R169 PolarHBondContact OE1-N 3.15Å
170E92Very high93.9Very high163 Ų16383.6 Ų83.676%0.76244%0.443SS*.PPolyproline II helixtrans-53.8127163.8-74.3-63.5157.400109.4
171P93.6Very high93.9Very high45 Ų4584.2 Ų84.229%0.29244%0.437SS..PPolyproline II helixtrans-52.6137.4179.7-28.735.7000111.5W134 F173 M175W134-P171 HydrophobicContact CH2-CB 4.08Å; W134-P171 HydrophobicContact CZ2-CB 3.98Å; W134-P171 HydrophobicContact CZ2-CG 4.31Å; P171-F173 WeakPolarHBondContact CB-O 3.48Å; P171-F173 PolarHBondContact O-N 2.84Å; P171-M175 HydrophobicContact CB-CE 3.69Å; P171-M175 HydrophobicContact CG-CE 3.77Å
172P93.9Very high94Very high55 Ų5583 Ų8336%0.35744%0.442SS..SBendtrans-69.4-4.2-177.527.7-30.7000113.2T116 W134T116-P172 WeakPolarHBondContact OG1-CG 3.43Å; W134-P172 HydrophobicContact CD2-CG 4.45Å; W134-P172 HydrophobicContact CE3-CG 3.75Å; W134-P172 VanDerWaalsContact CH2-CD 3.46Å; W134-P172 HydrophobicContact CH2-CG 4.24Å; W134-P172 HydrophobicContact CZ3-CG 3.65Å
173F94.5Very high94.1Very high22 Ų2281 Ų8110%0.09643%0.43CS..SBendtrans-146.7161178.647.1-107.5000110.7I51 E53 R91 W134 P171 M175I51-F173 HydrophobicContact CG2-CE2 3.96Å; I51-F173 HydrophobicContact CG2-CZ 3.9Å; E53-F173 HydrophobicContact CG-CD1 3.39Å; E53-F173 HydrophobicContact CG-CE1 3.27Å; E53-F173 HydrophobicContact CG-CG 4.21Å; E53-F173 HydrophobicContact CG-CZ 4.01Å; E53-F173 WeakPolarHBondContact OE1-CD1 3.23Å; R91-F173 HydrophobicContact CB-CD2 3.96Å; R91-F173 HydrophobicContact CB-CE2 3.74Å; R91-F173 VanDerWaalsContact CD-CD2 3.42Å; R91-F173 HydrophobicContact CG-CD2 3.61Å; R91-F173 HydrophobicContact CG-CE2 3.62Å; R91-F173 HydrophobicContact CG-CG 4.16Å; R91-F173 HydrophobicContact CG-CZ 4.18Å; W134-F173 HydrophobicContact CH2-CE1 4.17Å; W134-F173 HydrophobicContact CH2-CE2 4.13Å; W134-F173 AromaticContact CH2-CZ 3.68Å; W134-F173 HydrophobicContact CH2-CZ 3.68Å; W134-F173 AromaticContact CZ3-CE1 3.6Å; W134-F173 HydrophobicContact CZ3-CE1 3.6Å; W134-F173 HydrophobicContact CZ3-CE2 4.36Å; W134-F173 AromaticContact CZ3-CZ 3.48Å; W134-F173 HydrophobicContact CZ3-CZ 3.48Å; W134-F173 VanDerWaalsContact CZ3-CZ 3.48Å; P171-F173 WeakPolarHBondContact CB-O 3.48Å; P171-F173 PolarHBondContact O-N 2.84Å; F173-M175 HydrophobicContact CE2-CE 3.91Å; F173-M175 HydrophobicContact CE2-SD 4.08Å; F173-M175 PolarHBondContact O-N 2.76Å
174Q94.5Very high94.3Very high141 Ų14180.4 Ų80.466%0.65942%0.424SS*.PPolyproline II helixtrans-68.9125.6170.7-176.1174.9-6.500110.2R91R91-Q174 WeakPolarHBondContact CD-O 3.5Å
175M95.4Very high94.7Very high48 Ų4876.2 Ų76.224%0.23640%0.398CS..PPolyproline II helixtrans-62141.9171.8-66.9-71.416600110.2I51 P93 W134 P171 F173I51-M175 HydrophobicContact CD1-CE 3.98Å; I51-M175 HydrophobicContact CD1-SD 4.49Å; I51-M175 HydrophobicContact CG2-CE 4.25Å; I51-M175 HydrophobicContact CG2-SD 4.11Å; P93-M175 HydrophobicContact CG-SD 4.45Å; W134-M175 HydrophobicContact CH2-CE 3.86Å; W134-M175 HydrophobicContact CZ2-CE 4.19Å; P171-M175 HydrophobicContact CB-CE 3.69Å; P171-M175 HydrophobicContact CG-CE 3.77Å; F173-M175 HydrophobicContact CE2-CE 3.91Å; F173-M175 HydrophobicContact CE2-SD 4.08Å; F173-M175 PolarHBondContact O-N 2.76Å
176N95.5Very high94.9Very high38 Ų3870.1 Ų70.120%0.20336%0.364CS..PPolyproline II helixtrans-73.4134.9-175.3-170.4-29.9000111.3P89 A90 R91 I92 M178P89-N176 WeakPolarHBondContact CB-ND2 3.36Å; A90-N176 WeakPolarHBondContact O-CB 3.48Å; A90-N176 PolarHBondContact O-ND2 2.88Å; R91-N176 HydrophobicContact CB-CB 4.24Å; R91-N176 PolarHBondContact O-N 3.42Å; I92-N176 HydrophobicContact CD1-CB 4.47Å; I92-N176 HydrophobicContact CG1-CB 3.74Å; N176-M178 WeakPolarHBondContact OD1-CB 3.44Å; N176-M178 WeakPolarHBondContact OD1-CG 3.34Å; N176-M178 PolarHBondContact OD1-N 3.41Å
177T95.2Very high95.2Very high92 Ų9275.3 Ų75.356%0.56439%0.386SS*.  trans-109.412.4-178.462.50000113.3N72N72-T177 PolarHBondContact ND2-O 3.29Å; N72-T177 VanDerWaalsContact OD1-C 3.22Å; N72-T177 WeakPolarHBondContact OD1-CA 3.37Å; N72-T177 VanDerWaalsContact OD1-CB 3.3Å; N72-T177 WeakPolarHBondContact OD1-CB 3.26Å; N72-T177 PolarHBondContact OD1-O 2.79Å
178M94.3Very high95.7Very high81 Ų8173 Ų7340%0.39937%0.369SS..PPolyproline II helixtrans-68.6142.2174.7-69.817864.200110.3P89 N176 V180 F210P89-M178 HydrophobicContact CB-SD 4.34Å; P89-M178 HydrophobicContact CG-CE 4.42Å; P89-M178 HydrophobicContact CG-SD 4.48Å; N176-M178 WeakPolarHBondContact OD1-CB 3.44Å; N176-M178 WeakPolarHBondContact OD1-CG 3.34Å; N176-M178 PolarHBondContact OD1-N 3.41Å; M178-V180 PolarHBondContact O-N 2.93Å; M178-F210 HydrophobicContact CE-CE1 3.81Å; M178-F210 HydrophobicContact CE-CZ 4.21Å
179N96.9Very high96Very high116 Ų11671.9 Ų71.962%0.6236%0.363SS*.PPolyproline II helixtrans-71.3123.7161.8-64.4-39.5000108.1E71 N72E71-N179 VanDerWaalsContact OE1-CA 3.27Å; E71-N179 WeakPolarHBondContact OE1-CA 3.4Å; N72-N179 PolarHBondContact ND2-OD1 2.87Å
180V96.8Very high96.5Very high9 Ų965.2 Ų65.26%0.05534%0.338CS..PPolyproline II helixtrans-64.2142.8176.3-59.60000110.1V69 E71 K76 V78 F86 L88 I92 M178V69-V180 HydrophobicContact CG2-CG2 4.33Å; E71-V180 VanDerWaalsContact OE1-CG2 3.27Å; E71-V180 WeakPolarHBondContact OE1-CG2 3.19Å; E71-V180 PolarHBondContact OE1-N 3.47Å; K76-V180 HydrophobicContact CD-CG2 4.14Å; V78-V180 HydrophobicContact CG2-CG2 3.85Å; F86-V180 HydrophobicContact CE2-CB 4.21Å; F86-V180 HydrophobicContact CZ-CB 4.11Å; L88-V180 HydrophobicContact CD1-CG1 4.34Å; I92-V180 HydrophobicContact CD1-CG1 3.47Å; I92-V180 VanDerWaalsContact CD1-CG1 3.47Å; M178-V180 PolarHBondContact O-N 2.93Å
181M97.1Very high96.7Very high46 Ų4661 Ų6123%0.22732%0.321CS..PPolyproline II helixtrans-65.8162.7177.865.9-177.969.700111.9F86 L87 F206 F210F86-M181 HydrophobicContact CD2-CG 3.76Å; F86-M181 HydrophobicContact CE2-CG 3.74Å; F86-M181 VanDerWaalsContact CE2-O 3.27Å; F86-M181 WeakPolarHBondContact CE2-O 3.44Å; L87-M181 HydrophobicContact CB-CE 4.07Å; L87-M181 HydrophobicContact CB-SD 4.25Å; M181-F206 HydrophobicContact CE-CD1 3.8Å; M181-F206 HydrophobicContact CE-CE1 4.31Å; M181-F206 HydrophobicContact SD-CD1 3.61Å; M181-F206 HydrophobicContact SD-CE1 3.59Å; M181-F206 VanDerWaalsContact SD-CE1 3.59Å; M181-F210 HydrophobicContact CE-CE1 4.2Å; M181-F210 HydrophobicContact CE-CE2 3.5Å; M181-F210 VanDerWaalsContact CE-CE2 3.5Å; M181-F210 HydrophobicContact CE-CZ 3.32Å
182T98.3Very high96.9Very high119 Ų11966.4 Ų66.473%0.7334%0.34SS*.PPolyproline II helixtrans-82.7133.4167.4-51.20000108.9
183P98.8Very high97.1Very high16 Ų1666.4 Ų66.410%0.10434%0.335CS..PPolyproline II helixtrans-53.5149.4168.3-25.435.6000111.4V78 H79 I80 E84 M85 F86V78-P183 HydrophobicContact CG1-CG 3.52Å; H79-P183 WeakPolarHBondContact O-CG 3.2Å; I80-P183 HydrophobicContact CB-CG 4.47Å; I80-P183 HydrophobicContact CG1-CB 4.32Å; I80-P183 HydrophobicContact CG1-CG 3.77Å; I80-P183 HydrophobicContact CG2-CB 4.42Å; E84-P183 HydrophobicContact CB-CB 4.2Å; M85-P183 WeakPolarHBondContact O-CA 3.33Å; F86-P183 HydrophobicContact CB-CB 4.17Å; F86-P183 HydrophobicContact CB-CG 4.02Å; F86-P183 HydrophobicContact CD2-CG 3.85Å; F86-P183 HydrophobicContact CG-CG 4.16Å
184F98.8Very high97.1Very high47 Ų4769.6 Ų69.621%0.20635%0.347CS..EExtended strand (participates in β ladder)trans-137.4147.8-179.664.2-86.5000111.6E84 M85 F186 W189 I205 F206E84-F184 CarbonylContact C-O 3.56Å; E84-F184 WeakPolarHBondContact CA-O 3.36Å; M85-F184 HydrophobicContact CB-CE1 4.24Å; M85-F184 HydrophobicContact CB-CE2 4.27Å; M85-F184 HydrophobicContact CB-CZ 3.81Å; M85-F184 PolarHBondContact N-O 2.8Å; M85-F184 PolarHBondContact O-N 3.06Å; M85-F184 VanDerWaalsContact O-N 3.13Å; F184-F186 PolarHBondContact O-N 2.97Å; F184-F186 VanDerWaalsContact O-N 3.14Å; F184-W189 HydrophobicContact CD2-CB 3.81Å; F184-W189 HydrophobicContact CD2-CG 4.19Å; F184-W189 HydrophobicContact CE2-CB 3.92Å; F184-W189 AromaticContact CE2-CG 3.95Å; F184-W189 HydrophobicContact CE2-CG 3.95Å; F184-I205 HydrophobicContact CE1-CG2 4.22Å; F184-I205 HydrophobicContact CE2-CG2 3.93Å; F184-I205 HydrophobicContact CZ-CG2 3.32Å; F184-F206 HydrophobicContact CE1-CD1 4.35Å; F184-F206 AromaticContact CE1-CE1 3.6Å; F184-F206 HydrophobicContact CE1-CE1 3.6Å; F184-F206 HydrophobicContact CE1-CZ 4.09Å; F184-F206 HydrophobicContact CZ-CE1 4.06Å; F184-F206 HydrophobicContact CZ-CZ 4.14Å
185S98.8Very high97.1Very high32 Ų3266.9 Ų66.922%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-60.3112.4172.4166.70000110.4K187 D188 W189S185-K187 VanDerWaalsContact C-N 3.26Å; S185-K187 PolarHBondContact O-N 3.28Å; S185-D188 WeakPolarHBondContact CB-OD2 3.49Å; S185-D188 PolarHBondContact O-N 3.18Å; S185-D188 WeakPolarHBondContact OG-CB 3.29Å; S185-D188 PolarHBondContact OG-N 3.45Å; S185-D188 PolarHBondContact OG-OD2 2.92Å; S185-W189 WeakPolarHBondContact O-CB 3.45Å; S185-W189 PolarHBondContact O-N 3.43Å
186F98.4Very high97.1Very high15 Ų1566.7 Ų66.77%0.06635%0.345CS..Hα-helixtrans-62.7-37.6178.4175.8-114.5000111.1F59 G83 M85 F184 W189 L190 I205 V216 L276F59-F186 HydrophobicContact CE2-CB 4.05Å; F59-F186 HydrophobicContact CZ-CB 4.25Å; F59-F186 AromaticContact CZ-CD1 3.97Å; F59-F186 HydrophobicContact CZ-CD1 3.97Å; F59-F186 HydrophobicContact CZ-CG 4.35Å; G83-F186 PolarHBondContact O-N 3.32Å; M85-F186 HydrophobicContact CE-CB 4.09Å; M85-F186 HydrophobicContact CE-CD1 3.91Å; M85-F186 HydrophobicContact CE-CD2 3.49Å; M85-F186 VanDerWaalsContact CE-CD2 3.49Å; M85-F186 HydrophobicContact CE-CE1 4.21Å; M85-F186 HydrophobicContact CE-CE2 3.83Å; M85-F186 HydrophobicContact CE-CG 3.54Å; M85-F186 HydrophobicContact CE-CZ 4.17Å; M85-F186 HydrophobicContact CG-CB 4.1Å; M85-F186 HydrophobicContact CG-CG 4.5Å; M85-F186 HydrophobicContact SD-CB 4.09Å; M85-F186 HydrophobicContact SD-CD2 3.47Å; M85-F186 WeakPolarHBondContact SD-CD2 3.19Å; M85-F186 HydrophobicContact SD-CE2 4.1Å; M85-F186 HydrophobicContact SD-CG 3.89Å; F184-F186 PolarHBondContact O-N 2.97Å; F184-F186 VanDerWaalsContact O-N 3.14Å; F186-W189 HydrophobicContact CD2-CE3 4.19Å; F186-W189 HydrophobicContact CE2-CE3 4.01Å; F186-W189 HydrophobicContact CE2-CZ3 4.15Å; F186-W189 PolarHBondContact O-N 2.69Å; F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 HydrophobicContact CZ-CD2 4.46Å; F186-L190 VanDerWaalsContact O-CB 3.23Å; F186-L190 WeakPolarHBondContact O-CB 3.2Å; F186-L190 PolarHBondContact O-N 3.46Å; F186-I205 HydrophobicContact CD2-CD1 4.12Å; F186-I205 HydrophobicContact CE2-CD1 3.69Å; F186-V216 HydrophobicContact CE2-CG2 4.07Å; F186-V216 HydrophobicContact CZ-CG2 4.29Å; F186-L276 HydrophobicContact CE2-CD1 4.27Å; F186-L276 HydrophobicContact CZ-CD1 4.28Å
187K98.1Very high97.1Very high149 Ų14965.1 Ų65.165%0.64834%0.337SS*.Hα-helixtrans-60.8-47.4177.5-178.8178.9178.2179.20112.1S185 L190 N191S185-K187 VanDerWaalsContact C-N 3.26Å; S185-K187 PolarHBondContact O-N 3.28Å; K187-L190 PolarHBondContact O-N 3.48Å; K187-N191 WeakPolarHBondContact O-CB 3.44Å; K187-N191 VanDerWaalsContact O-CG 3.23Å; K187-N191 PolarHBondContact O-N 3.4Å; K187-N191 PolarHBondContact O-ND2 3.03Å
188D98.5Very high96.9Very high88 Ų8863.9 Ų63.947%0.47134%0.335SS..Hα-helixtrans-70.1-37.7-179.2-63.6-36.1000111.5S185 K192S185-D188 WeakPolarHBondContact CB-OD2 3.49Å; S185-D188 PolarHBondContact O-N 3.18Å; S185-D188 WeakPolarHBondContact OG-CB 3.29Å; S185-D188 PolarHBondContact OG-N 3.45Å; S185-D188 PolarHBondContact OG-OD2 2.92Å; D188-K192 WeakPolarHBondContact O-CG 3.29Å; D188-K192 PolarHBondContact O-N 2.58Å
189W98.4Very high96.8Very high40 Ų4066.6 Ų66.615%0.15235%0.352CS..Hα-helixtrans-59.4-50.9171.2179.796.9000110.7F184 S185 F186 N191 K192 Q193 I203 I205 V216F184-W189 HydrophobicContact CD2-CB 3.81Å; F184-W189 HydrophobicContact CD2-CG 4.19Å; F184-W189 HydrophobicContact CE2-CB 3.92Å; F184-W189 AromaticContact CE2-CG 3.95Å; F184-W189 HydrophobicContact CE2-CG 3.95Å; S185-W189 WeakPolarHBondContact O-CB 3.45Å; S185-W189 PolarHBondContact O-N 3.43Å; F186-W189 HydrophobicContact CD2-CE3 4.19Å; F186-W189 HydrophobicContact CE2-CE3 4.01Å; F186-W189 HydrophobicContact CE2-CZ3 4.15Å; F186-W189 PolarHBondContact O-N 2.69Å; W189-N191 PolarHBondContact O-N 3.14Å; W189-K192 WeakPolarHBondContact O-CB 3.41Å; W189-K192 PolarHBondContact O-N 3.34Å; W189-K192 VanDerWaalsContact O-N 3.15Å; W189-Q193 HydrophobicContact CD2-CG 4Å; W189-Q193 HydrophobicContact CE3-CG 4.17Å; W189-Q193 HydrophobicContact CH2-CB 4.31Å; W189-Q193 HydrophobicContact CH2-CG 3.77Å; W189-Q193 HydrophobicContact CZ2-CG 3.64Å; W189-Q193 HydrophobicContact CZ3-CB 4.35Å; W189-Q193 HydrophobicContact CZ3-CG 4.04Å; W189-Q193 WeakPolarHBondContact O-CG 3.36Å; W189-Q193 PolarHBondContact O-N 3.16Å; W189-I203 HydrophobicContact CH2-CB 4.21Å; W189-I203 HydrophobicContact CH2-CG2 3.91Å; W189-I203 HydrophobicContact CZ2-CB 4.47Å; W189-I203 HydrophobicContact CZ2-CG2 3.67Å; W189-I205 HydrophobicContact CH2-CB 4.48Å; W189-I205 HydrophobicContact CH2-CD1 4.34Å; W189-I205 HydrophobicContact CH2-CG1 3.61Å; W189-I205 HydrophobicContact CZ2-CB 4.15Å; W189-I205 HydrophobicContact CZ2-CG1 3.78Å; W189-I205 HydrophobicContact CZ2-CG2 4.26Å; W189-I205 HydrophobicContact CZ3-CD1 4.25Å; W189-I205 HydrophobicContact CZ3-CG1 4.02Å; W189-V216 HydrophobicContact CH2-CB 4.2Å; W189-V216 HydrophobicContact CH2-CG2 3.88Å; W189-V216 HydrophobicContact CZ3-CB 4.16Å; W189-V216 HydrophobicContact CZ3-CG2 3.65Å
190L97.9Very high96.3Very high7 Ų762.7 Ų62.74%0.03734%0.338CS..Hα-helixtrans-59.7-45.8-178177.162.4000111.2F186 K187 K192 Q193 R194 L197 V216 V274F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 HydrophobicContact CZ-CD2 4.46Å; F186-L190 VanDerWaalsContact O-CB 3.23Å; F186-L190 WeakPolarHBondContact O-CB 3.2Å; F186-L190 PolarHBondContact O-N 3.46Å; K187-L190 PolarHBondContact O-N 3.48Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 2.9Å; L190-Q193 CarbonylContact O-C 3.58Å; L190-Q193 WeakPolarHBondContact O-CA 3.49Å; L190-Q193 PolarHBondContact O-N 2.95Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.19Å; L190-L197 HydrophobicContact CD1-CD1 3.5Å; L190-L197 VanDerWaalsContact CD1-CD1 3.5Å; L190-V216 HydrophobicContact CD1-CG1 4.1Å; L190-V274 HydrophobicContact CD1-CG1 3.7Å; L190-V274 HydrophobicContact CD2-CG1 3.97Å; L190-V274 HydrophobicContact CG-CG1 4.49Å
191N97.8Very high96Very high75 Ų7570.9 Ų70.940%0.40137%0.368SS..Hα-helixtrans-57.4-37.9178.6-74.9-24.3000112.8K187 W189 Q193 R194K187-N191 WeakPolarHBondContact O-CB 3.44Å; K187-N191 VanDerWaalsContact O-CG 3.23Å; K187-N191 PolarHBondContact O-N 3.4Å; K187-N191 PolarHBondContact O-ND2 3.03Å; W189-N191 PolarHBondContact O-N 3.14Å; N191-Q193 VanDerWaalsContact C-N 3.31Å; N191-R194 PolarHBondContact OD1-NE 2.97Å
192K97.8Very high96Very high159 Ų15971.1 Ų71.169%0.69137%0.373SS*.Hα-helixtrans-68.5-32174.9-67.7169.9-176.2175.30112.3D188 W189 L190D188-K192 WeakPolarHBondContact O-CG 3.29Å; D188-K192 PolarHBondContact O-N 2.58Å; W189-K192 WeakPolarHBondContact O-CB 3.41Å; W189-K192 PolarHBondContact O-N 3.34Å; W189-K192 VanDerWaalsContact O-N 3.15Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 2.9Å
193Q97.1Very high95.9Very high54 Ų5466.8 Ų66.825%0.25235%0.345SS..Hα-helixtrans-88.7-13.8-176.9-60.8-45.9-33.200114.7W189 L190 N191 P195 S196 L197 I203W189-Q193 HydrophobicContact CD2-CG 4Å; W189-Q193 HydrophobicContact CE3-CG 4.17Å; W189-Q193 HydrophobicContact CH2-CB 4.31Å; W189-Q193 HydrophobicContact CH2-CG 3.77Å; W189-Q193 HydrophobicContact CZ2-CG 3.64Å; W189-Q193 HydrophobicContact CZ3-CB 4.35Å; W189-Q193 HydrophobicContact CZ3-CG 4.04Å; W189-Q193 WeakPolarHBondContact O-CG 3.36Å; W189-Q193 PolarHBondContact O-N 3.16Å; L190-Q193 CarbonylContact O-C 3.58Å; L190-Q193 WeakPolarHBondContact O-CA 3.49Å; L190-Q193 PolarHBondContact O-N 2.95Å; N191-Q193 VanDerWaalsContact C-N 3.31Å; Q193-P195 VanDerWaalsContact C-CD 3.42Å; Q193-P195 VanDerWaalsContact C-N 3.33Å; Q193-P195 VanDerWaalsContact O-N 3.15Å; Q193-S196 WeakPolarHBondContact O-CB 3.45Å; Q193-S196 PolarHBondContact O-N 3.01Å; Q193-L197 HydrophobicContact CB-CD1 4.32Å; Q193-L197 HydrophobicContact CB-CG 4.46Å; Q193-L197 PolarHBondContact O-N 2.77Å; Q193-I203 HydrophobicContact CB-CD1 3.69Å; Q193-I203 HydrophobicContact CG-CD1 3.98Å
194R95.6Very high95.9Very high89 Ų8967.7 Ų67.734%0.33635%0.35SS..Hα-helixtrans-46.5-44.6-178.4-76.9-172.6-175.5-80.2-2.3114.6L190 N191 S196 L197 A198 E237L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.19Å; N191-R194 PolarHBondContact OD1-NE 2.97Å; R194-S196 VanDerWaalsContact C-N 3.3Å; R194-S196 PolarHBondContact O-N 3.02Å; R194-L197 PolarHBondContact O-N 3.36Å; R194-A198 WeakPolarHBondContact O-CB 3.46Å; R194-A198 PolarHBondContact O-N 3.36Å; R194-E237 IonicContact CZ-OE1 3.39Å; R194-E237 IonicContact CZ-OE2 3.29Å; R194-E237 IonicContact NH1-OE1 3.46Å; R194-E237 IonicContact NH1-OE2 2.77Å; R194-E237 PolarHBondContact NH1-OE2 3.34Å; R194-E237 VanDerWaalsContact NH2-CD 3.33Å; R194-E237 IonicContact NH2-OE1 3.52Å; R194-E237 PolarHBondContact NH2-OE1 2.9Å; R194-E237 IonicContact NH2-OE2 3.84Å; R194-E237 PolarHBondContact NH2-OE2 2.75Å
195P94.6Very high95.8Very high85 Ų8566.4 Ų66.455%0.55234%0.344SS*.Hα-helixtrans-61-37.8178.6-23.934.8000113.3Q193 N199Q193-P195 VanDerWaalsContact C-CD 3.42Å; Q193-P195 VanDerWaalsContact C-N 3.33Å; Q193-P195 VanDerWaalsContact O-N 3.15Å; P195-N199 PolarHBondContact O-ND2 3.26Å; P195-N199 VanDerWaalsContact O-ND2 3.16Å
196S94.7Very high95.7Very high44 Ų4465.5 Ų65.531%0.30834%0.337SS..Hα-helixtrans-71.6-40.3177.7-60.40000111.7Q193 R194 N199 R201Q193-S196 WeakPolarHBondContact O-CB 3.45Å; Q193-S196 PolarHBondContact O-N 3.01Å; R194-S196 VanDerWaalsContact C-N 3.3Å; R194-S196 PolarHBondContact O-N 3.02Å; S196-N199 PolarHBondContact O-N 3.39Å; S196-R201 PolarHBondContact O-N 3.41Å
197L94.9Very high95.5Very high5 Ų565.9 Ų65.93%0.02634%0.344CS..Hα-helixtrans-65.7-39.6177.6-66.1172.5000111.9L190 Q193 R194 N199 G200 I203 V216 G218L190-L197 HydrophobicContact CD1-CD1 3.5Å; L190-L197 VanDerWaalsContact CD1-CD1 3.5Å; Q193-L197 HydrophobicContact CB-CD1 4.32Å; Q193-L197 HydrophobicContact CB-CG 4.46Å; Q193-L197 PolarHBondContact O-N 2.77Å; R194-L197 PolarHBondContact O-N 3.36Å; L197-N199 PolarHBondContact O-N 3.32Å; L197-G200 WeakPolarHBondContact O-CA 3.32Å; L197-G200 PolarHBondContact O-N 2.79Å; L197-I203 HydrophobicContact CD2-CD1 3.91Å; L197-I203 HydrophobicContact CD2-CG1 4.18Å; L197-I203 HydrophobicContact CG-CD1 4.08Å; L197-V216 HydrophobicContact CD1-CB 4.49Å; L197-V216 HydrophobicContact CD1-CG1 3.67Å; L197-V216 HydrophobicContact CD2-CB 4.14Å; L197-V216 HydrophobicContact CD2-CG1 3.91Å; L197-V216 VanDerWaalsContact CD2-O 3.22Å; L197-V216 WeakPolarHBondContact CD2-O 3.48Å; L197-V216 HydrophobicContact CG-CG1 4.47Å; L197-G218 WeakPolarHBondContact O-CA 3.2Å
198A91.6Very high95.3Very high65 Ų6561.9 Ų61.954%0.53734%0.339SS..Hα-helixtrans-61-27.6176.400000112.6R194 G200R194-A198 WeakPolarHBondContact O-CB 3.46Å; R194-A198 PolarHBondContact O-N 3.36Å; A198-G200 PolarHBondContact O-N 3.45Å
199N91Very high95Very high139 Ų13962.6 Ų62.674%0.74334%0.34SS*.THydrogen-bonded Turntrans-81.511.9173.6-65.9-33.2000113.2P195 S196 L197 R201P195-N199 PolarHBondContact O-ND2 3.26Å; P195-N199 VanDerWaalsContact O-ND2 3.16Å; S196-N199 PolarHBondContact O-N 3.39Å; L197-N199 PolarHBondContact O-N 3.32Å; N199-R201 PolarHBondContact O-N 2.71Å
200G87.2Confident94.9Very high33 Ų3361.2 Ų61.234%0.3434%0.335SS..THydrogen-bonded Turntrans72.88.617800000114.8L197 A198 P202 P219L197-G200 WeakPolarHBondContact O-CA 3.32Å; L197-G200 PolarHBondContact O-N 2.79Å; A198-G200 PolarHBondContact O-N 3.45Å; G200-P202 WeakPolarHBondContact O-CD 3.37Å; G200-P219 WeakPolarHBondContact CA-O 3.45Å
201R91.1Very high94.9Very high181 Ų18161 Ų6168%0.68333%0.333SS*.  trans-85114.7179.2-174.3178.1-179.7-1780.9110S196 N199S196-R201 PolarHBondContact O-N 3.41Å; N199-R201 PolarHBondContact O-N 2.71Å
202P95.8Very high94.9Very high51 Ų5157.4 Ų57.433%0.33131%0.314SS..  trans-71.4150.7173.831.2-34.7000111G200 M215 V216 F217G200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-M215 HydrophobicContact CB-CE 3.95Å; P202-M215 HydrophobicContact CG-CE 4.45Å; P202-V216 VanDerWaalsContact CA-O 3.28Å; P202-V216 WeakPolarHBondContact CA-O 3.49Å; P202-F217 HydrophobicContact CB-CD1 3.62Å; P202-F217 HydrophobicContact CB-CD2 4.39Å; P202-F217 HydrophobicContact CB-CE1 3.51Å; P202-F217 HydrophobicContact CB-CE2 4.32Å; P202-F217 HydrophobicContact CB-CG 4.06Å; P202-F217 HydrophobicContact CB-CZ 3.88Å; P202-F217 HydrophobicContact CG-CD1 4.31Å; P202-F217 HydrophobicContact CG-CE1 3.91Å; P202-F217 HydrophobicContact CG-CZ 4.45Å
203I97.9Very high94.9Very high28 Ų2852.1 Ų52.114%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-127.9125.6-175.5-58.6168.5000109.2W189 Q193 L197 M215 V216W189-I203 HydrophobicContact CH2-CB 4.21Å; W189-I203 HydrophobicContact CH2-CG2 3.91Å; W189-I203 HydrophobicContact CZ2-CB 4.47Å; W189-I203 HydrophobicContact CZ2-CG2 3.67Å; Q193-I203 HydrophobicContact CB-CD1 3.69Å; Q193-I203 HydrophobicContact CG-CD1 3.98Å; L197-I203 HydrophobicContact CD2-CD1 3.91Å; L197-I203 HydrophobicContact CD2-CG1 4.18Å; L197-I203 HydrophobicContact CG-CD1 4.08Å; I203-M215 CarbonylContact O-C 3.6Å; I203-M215 VanDerWaalsContact O-CA 3.31Å; I203-M215 WeakPolarHBondContact O-CA 3.47Å; I203-V216 PolarHBondContact N-O 2.82Å; I203-V216 PolarHBondContact O-N 2.89Å
204N97.6Very high94.9Very high36 Ų3649.6 Ų49.619%0.19328%0.28CS..EExtended strand (participates in β ladder)trans-78117.5167-170.9-32.6000108.7F206 G207 V214 M215N204-F206 VanDerWaalsContact C-N 3.32Å; N204-F206 PolarHBondContact O-N 2.95Å; N204-F206 PolarHBondContact OD1-N 3.48Å; N204-F206 VanDerWaalsContact OD1-N 3.08Å; N204-G207 PolarHBondContact ND2-O 2.92Å; N204-G207 VanDerWaalsContact ND2-O 3.12Å; N204-G207 PolarHBondContact OD1-N 2.83Å; N204-V214 CarbonylContact C-O 3.57Å; N204-V214 WeakPolarHBondContact CA-O 3.21Å; N204-M215 WeakPolarHBondContact CA-SD 3.44Å; N204-M215 HydrophobicContact CB-CE 4.22Å; N204-M215 HydrophobicContact CB-SD 3.37Å; N204-M215 WeakPolarHBondContact CB-SD 3.45Å
205I97.5Very high95.1Very high19 Ų1947 Ų4710%0.09727%0.272CS..SBendtrans-61.4-41.3-176-59.8-173.8000111.6M85 F184 F186 W189 V214 V216 L276M85-I205 HydrophobicContact SD-CD1 4.06Å; F184-I205 HydrophobicContact CE1-CG2 4.22Å; F184-I205 HydrophobicContact CE2-CG2 3.93Å; F184-I205 HydrophobicContact CZ-CG2 3.32Å; F186-I205 HydrophobicContact CD2-CD1 4.12Å; F186-I205 HydrophobicContact CE2-CD1 3.69Å; W189-I205 HydrophobicContact CH2-CB 4.48Å; W189-I205 HydrophobicContact CH2-CD1 4.34Å; W189-I205 HydrophobicContact CH2-CG1 3.61Å; W189-I205 HydrophobicContact CZ2-CB 4.15Å; W189-I205 HydrophobicContact CZ2-CG1 3.78Å; W189-I205 HydrophobicContact CZ2-CG2 4.26Å; W189-I205 HydrophobicContact CZ3-CD1 4.25Å; W189-I205 HydrophobicContact CZ3-CG1 4.02Å; I205-V214 HydrophobicContact CB-CB 4.39Å; I205-V214 HydrophobicContact CD1-CB 4.3Å; I205-V214 HydrophobicContact CD1-CG1 3.52Å; I205-V214 HydrophobicContact CG1-CB 4.44Å; I205-V214 HydrophobicContact CG1-CG1 4.12Å; I205-V214 WeakPolarHBondContact CG1-O 3.08Å; I205-V214 PolarHBondContact N-O 3.01Å; I205-V216 HydrophobicContact CD1-CG2 3.67Å; I205-V216 HydrophobicContact CG1-CG2 3.86Å; I205-L276 HydrophobicContact CD1-CD1 3.81Å
206F96.7Very high95.2Very high14 Ų1442.9 Ų42.96%0.06125%0.246CC..SBendtrans-101.7-12-172-60.3-76.9000113.4L57 M85 L87 M181 F184 N204 Q209 F210 V214L57-F206 HydrophobicContact CD1-CE2 3.74Å; L57-F206 HydrophobicContact CD1-CZ 3.84Å; M85-F206 HydrophobicContact CB-CZ 4.38Å; L87-F206 HydrophobicContact CB-CD1 3.8Å; L87-F206 HydrophobicContact CB-CD2 4.26Å; L87-F206 HydrophobicContact CB-CE1 3.57Å; L87-F206 HydrophobicContact CB-CE2 4.12Å; L87-F206 HydrophobicContact CB-CG 4.13Å; L87-F206 HydrophobicContact CB-CZ 3.77Å; L87-F206 HydrophobicContact CD2-CB 3.97Å; L87-F206 HydrophobicContact CD2-CD1 4.23Å; L87-F206 HydrophobicContact CD2-CD2 3.96Å; L87-F206 HydrophobicContact CD2-CG 3.8Å; M181-F206 HydrophobicContact CE-CD1 3.8Å; M181-F206 HydrophobicContact CE-CE1 4.31Å; M181-F206 HydrophobicContact SD-CD1 3.61Å; M181-F206 HydrophobicContact SD-CE1 3.59Å; M181-F206 VanDerWaalsContact SD-CE1 3.59Å; F184-F206 HydrophobicContact CE1-CD1 4.35Å; F184-F206 AromaticContact CE1-CE1 3.6Å; F184-F206 HydrophobicContact CE1-CE1 3.6Å; F184-F206 HydrophobicContact CE1-CZ 4.09Å; F184-F206 HydrophobicContact CZ-CE1 4.06Å; F184-F206 HydrophobicContact CZ-CZ 4.14Å; N204-F206 VanDerWaalsContact C-N 3.32Å; N204-F206 PolarHBondContact O-N 2.95Å; N204-F206 PolarHBondContact OD1-N 3.48Å; N204-F206 VanDerWaalsContact OD1-N 3.08Å; F206-Q209 PolarHBondContact O-NE2 3.32Å; F206-F210 HydrophobicContact CB-CD2 3.61Å; F206-F210 HydrophobicContact CB-CE2 3.96Å; F206-F210 WeakPolarHBondContact O-CD2 3.49Å; F206-F210 WeakPolarHBondContact O-CE2 3.34Å; F206-V214 HydrophobicContact CD2-CB 3.75Å; F206-V214 HydrophobicContact CD2-CG2 3.72Å; F206-V214 HydrophobicContact CE2-CB 3.7Å; F206-V214 HydrophobicContact CE2-CG1 4.29Å; F206-V214 HydrophobicContact CE2-CG2 3.52Å
207G94.4Very high95.4Very high22 Ų2242.3 Ų42.323%0.22724%0.238CC..  trans88.7-176.6-178.900000113.5N204N204-G207 PolarHBondContact ND2-O 2.92Å; N204-G207 VanDerWaalsContact ND2-O 3.12Å; N204-G207 PolarHBondContact OD1-N 2.83Å
208A93.2Very high95.6Very high66 Ų6642.2 Ų42.255%0.54524%0.238SC..THydrogen-bonded Turntrans-87.6-4.2-170.600000114.5F210 R286A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 PolarHBondContact O-N 3.09Å; A208-R286 PolarHBondContact O-NH2 3.13Å
209Q92.7Very high95.8Very high103 Ų10339.7 Ų39.748%0.48122%0.216SC..THydrogen-bonded Turntrans-73.1-22.7-178.967-84.17.500113.4F206 R286F206-Q209 PolarHBondContact O-NE2 3.32Å; Q209-R286 WeakPolarHBondContact O-CG 3.18Å; Q209-R286 PolarHBondContact O-NE 3.49Å
210F96.3Very high96.1Very high10 Ų1034.6 Ų34.64%0.04420%0.197CC..SBendtrans-94.2156-176.8-61-67.1000113.2E55 L87 P89 M178 M181 F206 A208 R284E55-F210 WeakPolarHBondContact OE1-CA 3.4Å; E55-F210 WeakPolarHBondContact OE1-CB 3.24Å; E55-F210 WeakPolarHBondContact OE1-CD1 3.18Å; L87-F210 HydrophobicContact CD2-CB 3.74Å; L87-F210 HydrophobicContact CD2-CD1 4.03Å; L87-F210 HydrophobicContact CD2-CD2 3.81Å; L87-F210 HydrophobicContact CD2-CE2 4.4Å; L87-F210 HydrophobicContact CD2-CG 3.58Å; P89-F210 HydrophobicContact CG-CE1 4Å; M178-F210 HydrophobicContact CE-CE1 3.81Å; M178-F210 HydrophobicContact CE-CZ 4.21Å; M181-F210 HydrophobicContact CE-CE1 4.2Å; M181-F210 HydrophobicContact CE-CE2 3.5Å; M181-F210 VanDerWaalsContact CE-CE2 3.5Å; M181-F210 HydrophobicContact CE-CZ 3.32Å; F206-F210 HydrophobicContact CB-CD2 3.61Å; F206-F210 HydrophobicContact CB-CE2 3.96Å; F206-F210 WeakPolarHBondContact O-CD2 3.49Å; F206-F210 WeakPolarHBondContact O-CE2 3.34Å; A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 PolarHBondContact O-N 3.09Å; F210-R284 PolarHBondContact O-NH2 2.82Å
211E96.8Very high96.6Very high2 Ų236.8 Ų36.81%0.00920%0.2CC..SBendtrans-64.5-47.1170.9-171.8-166.398.700109.9E55 R109 N281 R284 K285E55-E211 HydrophobicContact CG-CB 4.2Å; E55-E211 PolarHBondContact OE1-N 2.98Å; E55-E211 PolarHBondContact OE2-N 3.43Å; R109-E211 WeakPolarHBondContact CD-OE1 3.19Å; R109-E211 IonicContact CZ-OE1 3.42Å; R109-E211 IonicContact CZ-OE2 2.75Å; R109-E211 IonicContact NE-OE1 3.3Å; R109-E211 PolarHBondContact NE-OE1 2.91Å; R109-E211 IonicContact NE-OE2 3.55Å; R109-E211 PolarHBondContact NE-OE2 2.86Å; R109-E211 IonicContact NH2-OE1 3.64Å; R109-E211 IonicContact NH2-OE2 3.17Å; R109-E211 PolarHBondContact NH2-OE2 3.05Å; E211-N281 VanDerWaalsContact CG-O 3.23Å; E211-N281 WeakPolarHBondContact CG-O 3.43Å; E211-R284 HydrophobicContact CG-CB 4.22Å; E211-R284 PolarHBondContact O-NE 2.91Å; E211-K285 VanDerWaalsContact OE2-CB 3.32Å; E211-K285 WeakPolarHBondContact OE2-CB 3.46Å
212T98.1Very high96.7Very high0 Ų029.5 Ų29.50%018%0.176CC..EExtended strand (participates in β ladder)trans-70.8128.4-179.2-52.20000110.6E55 L87 V214 V278 Q280E55-T212 WeakPolarHBondContact CB-OG1 3.41Å; E55-T212 WeakPolarHBondContact OE2-CA 3.32Å; E55-T212 WeakPolarHBondContact OE2-CB 3.41Å; E55-T212 PolarHBondContact OE2-N 2.83Å; E55-T212 PolarHBondContact OE2-OG1 3.13Å; L87-T212 HydrophobicContact CD1-CG2 4.04Å; T212-V214 HydrophobicContact CG2-CG2 3.76Å; T212-V278 HydrophobicContact CG2-CG1 4.23Å; T212-Q280 HydrophobicContact CG2-CG 3.79Å; T212-Q280 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q280 PolarHBondContact OG1-NE2 3.15Å
213E97.8Very high96.5Very high49 Ų4932.6 Ų32.623%0.22919%0.186CC..EExtended strand (participates in β ladder)trans-105.2110.7169-63.1-171.996.500108.9M215 V278 V279 R284E213-M215 HydrophobicContact CB-CG 4.36Å; E213-V278 WeakPolarHBondContact O-CA 3.42Å; E213-V279 PolarHBondContact N-O 3.37Å; E213-V279 PolarHBondContact O-N 3.31Å; E213-R284 VanDerWaalsContact CG-CZ 3.44Å; E213-R284 IonicContact OE1-CZ 2.9Å; E213-R284 IonicContact OE1-NH1 2.72Å; E213-R284 PolarHBondContact OE1-NH1 3.2Å; E213-R284 IonicContact OE1-NH2 3.69Å; E213-R284 IonicContact OE2-CZ 3.52Å; E213-R284 IonicContact OE2-NE 2.69Å; E213-R284 IonicContact OE2-NH1 2.8Å; E213-R284 PolarHBondContact OE2-NH1 3.15Å
214V98.3Very high96.1Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-105.5104.4167.3-172.60000107.3L57 N204 I205 F206 T212 L276 V277 V278L57-V214 HydrophobicContact CD1-CG2 4.01Å; L57-V214 HydrophobicContact CD2-CG2 3.75Å; L57-V214 HydrophobicContact CG-CG2 4.45Å; N204-V214 CarbonylContact C-O 3.57Å; N204-V214 WeakPolarHBondContact CA-O 3.21Å; I205-V214 HydrophobicContact CB-CB 4.39Å; I205-V214 HydrophobicContact CD1-CB 4.3Å; I205-V214 HydrophobicContact CD1-CG1 3.52Å; I205-V214 HydrophobicContact CG1-CB 4.44Å; I205-V214 HydrophobicContact CG1-CG1 4.12Å; I205-V214 WeakPolarHBondContact CG1-O 3.08Å; I205-V214 PolarHBondContact N-O 3.01Å; F206-V214 HydrophobicContact CD2-CB 3.75Å; F206-V214 HydrophobicContact CD2-CG2 3.72Å; F206-V214 HydrophobicContact CE2-CB 3.7Å; F206-V214 HydrophobicContact CE2-CG1 4.29Å; F206-V214 HydrophobicContact CE2-CG2 3.52Å; T212-V214 HydrophobicContact CG2-CG2 3.76Å; V214-L276 HydrophobicContact CG1-CD1 3.41Å; V214-L276 VanDerWaalsContact CG1-CD1 3.41Å; V214-L276 HydrophobicContact CG1-CG 4.13Å; V214-V277 CarbonylContact C-O 3.59Å; V214-V277 WeakPolarHBondContact CA-O 3.3Å; V214-V278 HydrophobicContact CG1-CG2 4.19Å; V214-V278 HydrophobicContact CG2-CG1 4.37Å; V214-V278 HydrophobicContact CG2-CG2 4.27Å
215M98.2Very high95.5Very high34 Ų3435.5 Ų35.517%0.16721%0.208CC..EExtended strand (participates in β ladder)trans-104142-176.1-59.5-63.5-62.700110P202 I203 N204 E213 F217 L276 V277P202-M215 HydrophobicContact CB-CE 3.95Å; P202-M215 HydrophobicContact CG-CE 4.45Å; I203-M215 CarbonylContact O-C 3.6Å; I203-M215 VanDerWaalsContact O-CA 3.31Å; I203-M215 WeakPolarHBondContact O-CA 3.47Å; N204-M215 WeakPolarHBondContact CA-SD 3.44Å; N204-M215 HydrophobicContact CB-CE 4.22Å; N204-M215 HydrophobicContact CB-SD 3.37Å; N204-M215 WeakPolarHBondContact CB-SD 3.45Å; E213-M215 HydrophobicContact CB-CG 4.36Å; M215-F217 HydrophobicContact CB-CD2 4.05Å; M215-F217 HydrophobicContact CB-CE2 3.47Å; M215-F217 VanDerWaalsContact CB-CE2 3.47Å; M215-F217 HydrophobicContact CB-CZ 4.33Å; M215-F217 HydrophobicContact CG-CE2 4.27Å; M215-L276 CarbonylContact O-C 3.58Å; M215-L276 WeakPolarHBondContact O-CA 3.37Å; M215-V277 HydrophobicContact CB-CB 4.26Å; M215-V277 PolarHBondContact N-O 2.91Å; M215-V277 PolarHBondContact O-N 3.48Å
216V98.5Very high95Very high0 Ų037.9 Ų37.90%022%0.223CC..EExtended strand (participates in β ladder)trans-113.1127.8166.4-174.30000109.2F186 W189 L190 L197 P202 I203 I205 V274 A275 L276F186-V216 HydrophobicContact CE2-CG2 4.07Å; F186-V216 HydrophobicContact CZ-CG2 4.29Å; W189-V216 HydrophobicContact CH2-CB 4.2Å; W189-V216 HydrophobicContact CH2-CG2 3.88Å; W189-V216 HydrophobicContact CZ3-CB 4.16Å; W189-V216 HydrophobicContact CZ3-CG2 3.65Å; L190-V216 HydrophobicContact CD1-CG1 4.1Å; L197-V216 HydrophobicContact CD1-CB 4.49Å; L197-V216 HydrophobicContact CD1-CG1 3.67Å; L197-V216 HydrophobicContact CD2-CB 4.14Å; L197-V216 HydrophobicContact CD2-CG1 3.91Å; L197-V216 VanDerWaalsContact CD2-O 3.22Å; L197-V216 WeakPolarHBondContact CD2-O 3.48Å; L197-V216 HydrophobicContact CG-CG1 4.47Å; P202-V216 VanDerWaalsContact CA-O 3.28Å; P202-V216 WeakPolarHBondContact CA-O 3.49Å; I203-V216 PolarHBondContact N-O 2.82Å; I203-V216 PolarHBondContact O-N 2.89Å; I205-V216 HydrophobicContact CD1-CG2 3.67Å; I205-V216 HydrophobicContact CG1-CG2 3.86Å; V216-V274 HydrophobicContact CG1-CG1 3.72Å; V216-A275 CarbonylContact C-O 3.57Å; V216-A275 WeakPolarHBondContact CA-O 3.5Å; V216-L276 HydrophobicContact CG2-CD1 3.85Å
217F98.2Very high94.5Very high32 Ų3239.9 Ų39.914%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-109.7137.6179.1-72.3-100.3000110.6P202 M215 W267 V274 A275 V277P202-F217 HydrophobicContact CB-CD1 3.62Å; P202-F217 HydrophobicContact CB-CD2 4.39Å; P202-F217 HydrophobicContact CB-CE1 3.51Å; P202-F217 HydrophobicContact CB-CE2 4.32Å; P202-F217 HydrophobicContact CB-CG 4.06Å; P202-F217 HydrophobicContact CB-CZ 3.88Å; P202-F217 HydrophobicContact CG-CD1 4.31Å; P202-F217 HydrophobicContact CG-CE1 3.91Å; P202-F217 HydrophobicContact CG-CZ 4.45Å; M215-F217 HydrophobicContact CB-CD2 4.05Å; M215-F217 HydrophobicContact CB-CE2 3.47Å; M215-F217 VanDerWaalsContact CB-CE2 3.47Å; M215-F217 HydrophobicContact CB-CZ 4.33Å; M215-F217 HydrophobicContact CG-CE2 4.27Å; F217-W267 HydrophobicContact CB-CH2 4.04Å; F217-W267 HydrophobicContact CB-CZ3 4.15Å; F217-W267 HydrophobicContact CD1-CZ3 4.11Å; F217-W267 HydrophobicContact CD2-CH2 4.19Å; F217-W267 AromaticContact CD2-CZ3 3.87Å; F217-W267 HydrophobicContact CD2-CZ3 3.87Å; F217-W267 HydrophobicContact CE2-CZ3 4.27Å; F217-W267 HydrophobicContact CG-CH2 4.12Å; F217-W267 AromaticContact CG-CZ3 3.79Å; F217-W267 HydrophobicContact CG-CZ3 3.79Å; F217-V274 WeakPolarHBondContact O-CA 3.46Å; F217-A275 PolarHBondContact N-O 2.78Å; F217-A275 PolarHBondContact O-N 2.7Å; F217-V277 HydrophobicContact CD2-CB 4.16Å; F217-V277 HydrophobicContact CD2-CG2 3.63Å; F217-V277 HydrophobicContact CE2-CB 3.94Å; F217-V277 HydrophobicContact CE2-CG1 4.5Å; F217-V277 HydrophobicContact CE2-CG2 3.76Å
218G97.9Very high94.2Very high2 Ų244.1 Ų44.12%0.02125%0.246CC..  trans-92.4-161.816500000112.6L197 R269 T273L197-G218 WeakPolarHBondContact O-CA 3.2Å; G218-R269 WeakPolarHBondContact O-CD 3.33Å; G218-R269 PolarHBondContact O-NE 3.37Å; G218-T273 VanDerWaalsContact CA-O 3.32Å; G218-T273 WeakPolarHBondContact CA-O 3.33Å
219P97.8Very high94.3Very high12 Ų1241.2 Ų41.28%0.07822%0.222CC..SBendtrans-55.5156.4172-22.634.1000112.6G200G200-P219 WeakPolarHBondContact CA-O 3.45Å
220G97.1Very high94.5Very high33 Ų3336.5 Ų36.534%0.3420%0.2SC..EExtended strand (participates in β ladder)trans135.1-165.8173.300000113.9R269G220-R269 PolarHBondContact N-O 3.3Å; G220-R269 PolarHBondContact O-N 3.26Å
221L96.3Very high94.5Very high79 Ų7936.3 Ų36.341%0.41420%0.199SC..EExtended strand (participates in β ladder)trans-124.8129.6-174.4-173.961.6000110.3E223 K266 Q268L221-E223 WeakPolarHBondContact CD2-OE1 3.25Å; L221-K266 HydrophobicContact CD1-CG 4.36Å; L221-Q268 HydrophobicContact CD1-CB 4.05Å
222T94.3Very high94.6Very high27 Ų2736.2 Ų36.217%0.16620%0.199CC..EExtended strand (participates in β ladder)trans-97.3114.6157.5-550000106.3Y265 K266 W267 R269T222-Y265 HydrophobicContact CG2-CE2 4.31Å; T222-K266 WeakPolarHBondContact O-CG 3.44Å; T222-W267 PolarHBondContact N-O 2.77Å; T222-W267 PolarHBondContact O-N 3.48Å; T222-R269 PolarHBondContact OG1-NH1 2.84Å
223E91.5Very high94.6Very high117 Ų11736.2 Ų36.255%0.54720%0.199SC..EExtended strand (participates in β ladder)trans-61.4175.5171.1-66.5-62.417000110.8L221 S225L221-E223 WeakPolarHBondContact CD2-OE1 3.25Å; E223-S225 PolarHBondContact O-N 3.08Å
224T88.2Confident94.7Very high88 Ų8834.6 Ų34.654%0.5419%0.191SC..EExtended strand (participates in β ladder)trans-46.9114.8175.2-60.90000111.5Q264 Y265T224-Q264 HydrophobicContact CG2-CG 3.47Å; T224-Q264 VanDerWaalsContact CG2-CG 3.47Å; T224-Y265 WeakPolarHBondContact CA-O 3.46Å
225S85.6Confident94.7Very high36 Ų3634.6 Ų34.625%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-131.2150.4-178.6-169.80000109.8E223 Q264 Y265E223-S225 PolarHBondContact O-N 3.08Å; S225-Q264 WeakPolarHBondContact O-CA 3.32Å; S225-Y265 PolarHBondContact N-O 3.48Å; S225-Y265 PolarHBondContact O-N 3.45Å
226V87.9Confident94.7Very high70 Ų7034.5 Ų34.542%0.42419%0.19SC..EExtended strand (participates in β ladder)trans-123126.4172.7179.60000106.9Q264V226-Q264 HydrophobicContact CG2-CB 4.04Å; V226-Q264 HydrophobicContact CG2-CG 4.17Å
227Q85.1Confident94.7Very high56 Ų5637.4 Ų37.426%0.26220%0.204SC..  trans-99.9137.9173.2-74.8-69.3-13.300109.5T229 L231 Q262 Y265Q227-T229 WeakPolarHBondContact CB-O 3.45Å; Q227-T229 PolarHBondContact O-N 3.43Å; Q227-L231 HydrophobicContact CG-CD1 3.89Å; Q227-Q262 VanDerWaalsContact O-CA 3.28Å; Q227-Q262 WeakPolarHBondContact O-CA 3.45Å; Q227-Q262 PolarHBondContact O-N 3.39Å; Q227-Y265 HydrophobicContact CG-CE1 3.93Å
228Q89.3Confident94.7Very high110 Ų11037.6 Ų37.651%0.51422%0.215SC..SBendtrans-76.8-12.4178.6-62.9-57.2-38.200112.7
229T94.8Very high94.7Very high6 Ų639.5 Ų39.54%0.03723%0.228CC..SBendtrans-134.1168.6-175.847.30000109.6Q227 E261 V279 N281Q227-T229 WeakPolarHBondContact CB-O 3.45Å; Q227-T229 PolarHBondContact O-N 3.43Å; T229-E261 VanDerWaalsContact C-CB 3.48Å; T229-E261 WeakPolarHBondContact O-CA 3.45Å; T229-V279 VanDerWaalsContact OG1-CG1 3.25Å; T229-V279 WeakPolarHBondContact OG1-CG1 3.27Å; T229-N281 HydrophobicContact CG2-CB 4.14Å
230D97.3Very high94.7Very high4 Ų439.1 Ų39.12%0.02123%0.225CC..  trans-62144174.7-74.5-11.4000109.7S33 Q34 L35 L258 I259 P260 E261S33-D230 WeakPolarHBondContact CB-OD2 3.43Å; Q34-D230 WeakPolarHBondContact CA-OD2 3.4Å; Q34-D230 HydrophobicContact CB-CB 4.25Å; Q34-D230 WeakPolarHBondContact CB-OD2 3.42Å; Q34-D230 PolarHBondContact N-OD2 2.79Å; L35-D230 HydrophobicContact CB-CB 3.71Å; L35-D230 PolarHBondContact N-OD2 2.88Å; D230-L258 HydrophobicContact CB-CD1 4.09Å; D230-I259 WeakPolarHBondContact CA-O 3.29Å; D230-P260 VanDerWaalsContact OD1-CA 3.26Å; D230-P260 WeakPolarHBondContact OD1-CA 3.26Å; D230-E261 PolarHBondContact OD1-N 3.49Å
231L96.4Very high94.8Very high5 Ų538.8 Ų38.83%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-125.5123.5174.5179.4162.2000108.2Q227 I233 I259 Y265 V277 V279Q227-L231 HydrophobicContact CG-CD1 3.89Å; L231-I233 HydrophobicContact CD2-CD1 3.89Å; L231-I233 HydrophobicContact CD2-CG1 3.26Å; L231-I259 HydrophobicContact CB-CB 4.3Å; L231-I259 HydrophobicContact CD2-CD1 4.11Å; L231-I259 HydrophobicContact CD2-CG1 4.33Å; L231-I259 PolarHBondContact N-O 3.23Å; L231-I259 PolarHBondContact O-N 3.18Å; L231-Y265 HydrophobicContact CD1-CE1 4.4Å; L231-Y265 WeakPolarHBondContact CD1-OH 3.41Å; L231-V277 HydrophobicContact CD1-CG1 3.81Å; L231-V277 HydrophobicContact CD2-CG1 3.57Å; L231-V277 HydrophobicContact CG-CG1 3.51Å; L231-V279 HydrophobicContact CB-CG2 3.96Å; L231-V279 HydrophobicContact CD1-CG2 4.08Å; L231-V279 HydrophobicContact CG-CG2 3.81Å
232W98.4Very high94.8Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-106.7120.3176.2-173.276.1000110.6V10 M30 H31 L35 V37 L105 M107 W234 L258 V277 V278V10-W232 HydrophobicContact CG2-CH2 4.34Å; V10-W232 HydrophobicContact CG2-CZ2 4.02Å; M30-W232 HydrophobicContact SD-CZ2 4.36Å; H31-W232 AromaticContact CD2-CD1 3.74Å; H31-W232 AromaticContact CD2-NE1 3.66Å; H31-W232 AromaticContact NE2-CD1 3.86Å; H31-W232 AromaticContact NE2-NE1 3.61Å; L35-W232 HydrophobicContact CD2-CB 3.75Å; V37-W232 HydrophobicContact CG1-CD2 4.46Å; V37-W232 HydrophobicContact CG1-CZ2 4.2Å; V37-W232 HydrophobicContact CG2-CB 4.4Å; V37-W232 HydrophobicContact CG2-CD2 4.37Å; V37-W232 HydrophobicContact CG2-CG 4.05Å; L105-W232 HydrophobicContact CD2-CH2 4.34Å; L105-W232 HydrophobicContact CD2-CZ3 4.12Å; M107-W232 HydrophobicContact CE-CB 4.11Å; M107-W232 HydrophobicContact CE-CD2 4.37Å; M107-W232 HydrophobicContact CE-CE3 4.08Å; M107-W232 HydrophobicContact CE-CG 4.43Å; M107-W232 HydrophobicContact SD-CE3 3.84Å; M107-W232 HydrophobicContact SD-CZ3 4.11Å; W232-W234 HydrophobicContact CE3-CB 4.27Å; W232-W234 HydrophobicContact CH2-CB 3.67Å; W232-W234 AromaticContact CH2-CD2 3.69Å; W232-W234 HydrophobicContact CH2-CD2 3.69Å; W232-W234 AromaticContact CH2-CE3 3.41Å; W232-W234 HydrophobicContact CH2-CE3 3.41Å; W232-W234 VanDerWaalsContact CH2-CE3 3.41Å; W232-W234 AromaticContact CH2-CG 3.83Å; W232-W234 HydrophobicContact CH2-CG 3.83Å; W232-W234 HydrophobicContact CH2-CZ3 4.29Å; W232-W234 HydrophobicContact CZ2-CB 4.24Å; W232-W234 HydrophobicContact CZ2-CG 4.44Å; W232-W234 HydrophobicContact CZ3-CB 3.68Å; W232-W234 HydrophobicContact CZ3-CD2 4.22Å; W232-W234 AromaticContact CZ3-CE3 3.72Å; W232-W234 HydrophobicContact CZ3-CE3 3.72Å; W232-W234 HydrophobicContact CZ3-CG 4.26Å; W232-L258 HydrophobicContact CB-CD1 4.15Å; W232-V277 CarbonylContact O-C 3.5Å; W232-V277 VanDerWaalsContact O-CA 3.3Å; W232-V277 WeakPolarHBondContact O-CA 3.21Å; W232-V278 HydrophobicContact CE3-CG2 4.5Å; W232-V278 PolarHBondContact N-O 3.27Å; W232-V278 PolarHBondContact O-N 3.49Å
233I98.6Very high94.9Very high0 Ų036.1 Ų36.10%021%0.206CC..EExtended strand (participates in β ladder)trans-97.4135.6175.7-54.6-177.8000108L231 V242 L251 S256 L257 I259 W267 A275 L276 V277L231-I233 HydrophobicContact CD2-CD1 3.89Å; L231-I233 HydrophobicContact CD2-CG1 3.26Å; I233-V242 HydrophobicContact CD1-CG2 3.84Å; I233-L251 HydrophobicContact CB-CD2 4.44Å; I233-L251 HydrophobicContact CG2-CD2 3.97Å; I233-S256 CarbonylContact O-C 3.5Å; I233-S256 WeakPolarHBondContact O-CA 3.44Å; I233-S256 VanDerWaalsContact O-CB 3.23Å; I233-S256 WeakPolarHBondContact O-CB 3.37Å; I233-L257 HydrophobicContact CB-CB 4.48Å; I233-L257 PolarHBondContact N-O 3.31Å; I233-L257 PolarHBondContact O-N 3.39Å; I233-I259 HydrophobicContact CD1-CD1 3.82Å; I233-I259 HydrophobicContact CD1-CG1 4.47Å; I233-W267 HydrophobicContact CD1-CD2 4.07Å; I233-W267 HydrophobicContact CD1-CE3 4.26Å; I233-W267 HydrophobicContact CD1-CH2 4.29Å; I233-W267 HydrophobicContact CD1-CZ2 4.09Å; I233-W267 HydrophobicContact CD1-CZ3 4.38Å; I233-W267 HydrophobicContact CG2-CH2 3.94Å; I233-W267 HydrophobicContact CG2-CZ2 3.61Å; I233-A275 HydrophobicContact CG2-CB 4.34Å; I233-L276 CarbonylContact C-O 3.56Å; I233-L276 WeakPolarHBondContact CA-O 3.02Å; I233-V277 HydrophobicContact CG1-CG2 4.19Å; I233-V277 HydrophobicContact CG2-CG2 4.46Å
234W98.8Very high94.9Very high16 Ų1631.7 Ų31.76%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-125109.6165.3-172.46000109.5V10 F59 L61 L105 W232 M236 A275 L276V10-W234 HydrophobicContact CB-CZ2 3.93Å; V10-W234 HydrophobicContact CG1-CH2 4.07Å; V10-W234 HydrophobicContact CG1-CZ2 3.69Å; V10-W234 HydrophobicContact CG2-CD2 4.07Å; V10-W234 HydrophobicContact CG2-CG 4.21Å; V10-W234 HydrophobicContact CG2-CZ2 4.18Å; F59-W234 AromaticContact CD1-CZ3 3.97Å; F59-W234 HydrophobicContact CD1-CZ3 3.97Å; F59-W234 HydrophobicContact CE1-CH2 4.28Å; F59-W234 AromaticContact CE1-CZ3 3.9Å; F59-W234 HydrophobicContact CE1-CZ3 3.9Å; L61-W234 HydrophobicContact CD1-CH2 3.79Å; L61-W234 HydrophobicContact CD2-CH2 3.66Å; L61-W234 HydrophobicContact CD2-CZ3 4.14Å; L61-W234 HydrophobicContact CG-CH2 4.38Å; L105-W234 HydrophobicContact CD2-CE3 4.47Å; L105-W234 HydrophobicContact CD2-CZ3 4.18Å; W232-W234 HydrophobicContact CE3-CB 4.27Å; W232-W234 HydrophobicContact CH2-CB 3.67Å; W232-W234 AromaticContact CH2-CD2 3.69Å; W232-W234 HydrophobicContact CH2-CD2 3.69Å; W232-W234 AromaticContact CH2-CE3 3.41Å; W232-W234 HydrophobicContact CH2-CE3 3.41Å; W232-W234 VanDerWaalsContact CH2-CE3 3.41Å; W232-W234 AromaticContact CH2-CG 3.83Å; W232-W234 HydrophobicContact CH2-CG 3.83Å; W232-W234 HydrophobicContact CH2-CZ3 4.29Å; W232-W234 HydrophobicContact CZ2-CB 4.24Å; W232-W234 HydrophobicContact CZ2-CG 4.44Å; W232-W234 HydrophobicContact CZ3-CB 3.68Å; W232-W234 HydrophobicContact CZ3-CD2 4.22Å; W232-W234 AromaticContact CZ3-CE3 3.72Å; W232-W234 HydrophobicContact CZ3-CE3 3.72Å; W232-W234 HydrophobicContact CZ3-CG 4.26Å; W234-M236 HydrophobicContact CB-CE 4.21Å; W234-M236 HydrophobicContact CD2-CE 3.26Å; W234-M236 HydrophobicContact CD2-SD 3.62Å; W234-M236 HydrophobicContact CE3-CE 3.11Å; W234-M236 HydrophobicContact CE3-SD 4.04Å; W234-M236 HydrophobicContact CG-CE 3.78Å; W234-M236 HydrophobicContact CG-SD 3.95Å; W234-M236 HydrophobicContact CH2-CE 4.1Å; W234-M236 HydrophobicContact CH2-SD 4.37Å; W234-M236 HydrophobicContact CZ2-CE 4.24Å; W234-M236 HydrophobicContact CZ2-SD 4Å; W234-M236 HydrophobicContact CZ3-CE 3.57Å; W234-M236 HydrophobicContact CZ3-SD 4.4Å; W234-M236 PolarHBondContact O-N 3.3Å; W234-M236 VanDerWaalsContact O-N 3.12Å; W234-A275 CarbonylContact O-C 3.57Å; W234-A275 WeakPolarHBondContact O-CA 3.13Å; W234-L276 HydrophobicContact CB-CB 4.34Å; W234-L276 HydrophobicContact CE3-CD2 4.37Å; W234-L276 PolarHBondContact N-O 2.79Å; W234-L276 PolarHBondContact O-N 3.03Å
235Q98.8Very high94.7Very high0 Ų032.3 Ų32.30%020%0.2CC..EExtended strand (participates in β ladder)trans-73.996.6176.4-172.775.849.200109.1E237 S240 L251 T252 S253 G254 D255Q235-E237 PolarHBondContact NE2-O 3.28Å; Q235-S240 VanDerWaalsContact OE1-CB 3.23Å; Q235-S240 PolarHBondContact OE1-OG 2.71Å; Q235-L251 HydrophobicContact CB-CB 3.99Å; Q235-L251 HydrophobicContact CB-CD2 4.19Å; Q235-L251 HydrophobicContact CG-CB 4.19Å; Q235-T252 WeakPolarHBondContact CB-O 3.36Å; Q235-T252 WeakPolarHBondContact CG-O 3.44Å; Q235-S253 CarbonylContact O-C 3.57Å; Q235-S253 WeakPolarHBondContact O-CA 3.16Å; Q235-G254 PolarHBondContact O-N 2.72Å; Q235-D255 WeakPolarHBondContact CB-O 3.39Å; Q235-D255 PolarHBondContact N-O 2.94Å
236M98Very high94.6Very high31 Ų3140 Ų4015%0.15323%0.233CC..EExtended strand (participates in β ladder)trans-77.7-44.9-178-60.8-70.2-17100111.1F59 W234 S253 V274 L276F59-M236 HydrophobicContact CE1-CE 4.27Å; W234-M236 HydrophobicContact CB-CE 4.21Å; W234-M236 HydrophobicContact CD2-CE 3.26Å; W234-M236 HydrophobicContact CD2-SD 3.62Å; W234-M236 HydrophobicContact CE3-CE 3.11Å; W234-M236 HydrophobicContact CE3-SD 4.04Å; W234-M236 HydrophobicContact CG-CE 3.78Å; W234-M236 HydrophobicContact CG-SD 3.95Å; W234-M236 HydrophobicContact CH2-CE 4.1Å; W234-M236 HydrophobicContact CH2-SD 4.37Å; W234-M236 HydrophobicContact CZ2-CE 4.24Å; W234-M236 HydrophobicContact CZ2-SD 4Å; W234-M236 HydrophobicContact CZ3-CE 3.57Å; W234-M236 HydrophobicContact CZ3-SD 4.4Å; W234-M236 PolarHBondContact O-N 3.3Å; W234-M236 VanDerWaalsContact O-N 3.12Å; M236-S253 PolarHBondContact O-OG 2.84Å; M236-V274 HydrophobicContact CB-CG1 4.42Å; M236-V274 WeakPolarHBondContact CB-O 3.17Å; M236-V274 PolarHBondContact N-O 2.98Å; M236-L276 HydrophobicContact CE-CB 3.73Å; M236-L276 HydrophobicContact CE-CD2 3.64Å; M236-L276 HydrophobicContact CE-CG 4.3Å; M236-L276 HydrophobicContact CG-CB 4.38Å
237E98.1Very high94.8Very high61 Ų6142.2 Ų42.229%0.28524%0.238SC..EExtended strand (participates in β ladder)trans-137150.3-177.7-58.4173.4-157.200110.7R194 Q235 T273 V274R194-E237 IonicContact CZ-OE1 3.39Å; R194-E237 IonicContact CZ-OE2 3.29Å; R194-E237 IonicContact NH1-OE1 3.46Å; R194-E237 IonicContact NH1-OE2 2.77Å; R194-E237 PolarHBondContact NH1-OE2 3.34Å; R194-E237 VanDerWaalsContact NH2-CD 3.33Å; R194-E237 IonicContact NH2-OE1 3.52Å; R194-E237 PolarHBondContact NH2-OE1 2.9Å; R194-E237 IonicContact NH2-OE2 3.84Å; R194-E237 PolarHBondContact NH2-OE2 2.75Å; Q235-E237 PolarHBondContact NE2-O 3.28Å; E237-T273 WeakPolarHBondContact O-CA 3.36Å; E237-V274 HydrophobicContact CB-CB 3.89Å; E237-V274 HydrophobicContact CB-CG2 4.11Å; E237-V274 HydrophobicContact CG-CB 4.14Å; E237-V274 HydrophobicContact CG-CG2 4.32Å; E237-V274 PolarHBondContact N-O 3.41Å; E237-V274 PolarHBondContact O-N 2.87Å
238G97.9Very high95.3Very high36 Ų3643.2 Ų43.237%0.37125%0.248SC..SBendtrans73.5-149.7177.100000113.3S253G238-S253 PolarHBondContact O-N 2.76Å
239S98.5Very high95.6Very high42 Ų4239.2 Ų39.229%0.29423%0.229SC..EExtended strand (participates in β ladder)trans-147.5152.6-177.8580000112.2L251 N270 T273S239-L251 CarbonylContact C-O 3.54Å; S239-L251 WeakPolarHBondContact CA-O 3.22Å; S239-L251 WeakPolarHBondContact CB-O 3.27Å; S239-N270 WeakPolarHBondContact O-CB 3.4Å; S239-N270 PolarHBondContact O-N 2.98Å; S239-N270 VanDerWaalsContact O-N 3.08Å; S239-N270 PolarHBondContact O-ND2 2.91Å; S239-N270 PolarHBondContact OG-ND2 3.1Å; S239-T273 PolarHBondContact O-OG1 2.96Å
240S98.6Very high95.8Very high4 Ų443 Ų433%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-146.9169.8175.470.10000111.4Q235 L251 W267 Q268Q235-S240 VanDerWaalsContact OE1-CB 3.23Å; Q235-S240 PolarHBondContact OE1-OG 2.71Å; S240-L251 PolarHBondContact N-O 2.87Å; S240-L251 PolarHBondContact O-N 2.8Å; S240-W267 PolarHBondContact OG-NE1 2.81Å; S240-Q268 CarbonylContact C-O 3.52Å; S240-Q268 VanDerWaalsContact CA-O 3.24Å; S240-Q268 WeakPolarHBondContact CA-O 3.47Å; S240-Q268 WeakPolarHBondContact CB-O 3.36Å
241A98.1Very high95.8Very high26 Ų2642.9 Ų42.922%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-130.4122.7174.500000109.5T248 F249 Q268A241-T248 HydrophobicContact CB-CG2 4Å; A241-F249 CarbonylContact C-O 3.52Å; A241-F249 WeakPolarHBondContact CA-O 3.21Å; A241-Q268 PolarHBondContact N-O 2.81Å; A241-Q268 PolarHBondContact O-N 3.08Å
242V97.5Very high95.9Very high0 Ų046.3 Ų46.30%028%0.276CS..EExtended strand (participates in β ladder)trans-104.8125.4174.7178.90000108.3I233 M244 T248 F249 L251 L257 I259 Y265 K266 W267I233-V242 HydrophobicContact CD1-CG2 3.84Å; V242-M244 HydrophobicContact CG1-CG 4.05Å; V242-M244 HydrophobicContact CG1-SD 4.05Å; V242-T248 CarbonylContact O-C 3.52Å; V242-T248 WeakPolarHBondContact O-CA 3.24Å; V242-F249 PolarHBondContact N-O 3.04Å; V242-F249 PolarHBondContact O-N 2.98Å; V242-L251 HydrophobicContact CB-CD1 4.35Å; V242-L251 HydrophobicContact CG2-CD1 3.9Å; V242-L257 HydrophobicContact CB-CD2 3.62Å; V242-L257 HydrophobicContact CG1-CD2 3.62Å; V242-L257 HydrophobicContact CG2-CD2 3.77Å; V242-I259 HydrophobicContact CG1-CD1 3.83Å; V242-Y265 HydrophobicContact CG1-CD2 4.39Å; V242-K266 CarbonylContact C-O 3.45Å; V242-K266 WeakPolarHBondContact CA-O 3.37Å; V242-W267 HydrophobicContact CG2-CB 4.4Å; V242-W267 HydrophobicContact CG2-CG 3.87Å
243T95.5Very high95.9Very high50 Ų5049.7 Ų49.731%0.30730%0.3SS..EExtended strand (participates in β ladder)trans-108.6124.9175.1-55.10000109.7Q247 T248 Y265 K266T243-Q247 CarbonylContact C-O 3.55Å; T243-Q247 VanDerWaalsContact CA-O 3.27Å; T243-Q247 WeakPolarHBondContact CA-O 3.36Å; T243-T248 PolarHBondContact OG1-OG1 2.98Å; T243-Y265 CarbonylContact O-C 3.59Å; T243-Y265 VanDerWaalsContact O-CA 3.24Å; T243-Y265 WeakPolarHBondContact O-CA 3.48Å; T243-K266 PolarHBondContact N-O 2.76Å; T243-K266 PolarHBondContact O-N 3.2Å
244M92.3Very high95.9Very high24 Ų2450 Ų5012%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-139.2133.8178.5-71.4166.259.500109.2V242 E246 Q247 F249 L257 I259 Y265V242-M244 HydrophobicContact CG1-CG 4.05Å; V242-M244 HydrophobicContact CG1-SD 4.05Å; M244-E246 PolarHBondContact O-N 2.61Å; M244-E246 VanDerWaalsContact O-N 3.12Å; M244-Q247 PolarHBondContact N-O 2.63Å; M244-Q247 WeakPolarHBondContact O-CA 3.2Å; M244-Q247 PolarHBondContact O-N 2.94Å; M244-Q247 VanDerWaalsContact O-O 3.08Å; M244-F249 HydrophobicContact CB-CE2 4.43Å; M244-L257 HydrophobicContact SD-CD2 4.46Å; M244-I259 HydrophobicContact CE-CB 4.33Å; M244-I259 HydrophobicContact CE-CG2 3.8Å; M244-I259 HydrophobicContact SD-CB 4.11Å; M244-I259 HydrophobicContact SD-CD1 4.09Å; M244-I259 HydrophobicContact SD-CG1 3.71Å; M244-I259 HydrophobicContact SD-CG2 3.82Å; M244-Y265 VanDerWaalsContact CG-CB 3.47Å
245A84.1Confident95.9Very high102 Ų10250.3 Ų50.384%0.84331%0.306SS*.THydrogen-bonded Turntrans45.346.2177.100000113.6Q247A245-Q247 PolarHBondContact O-N 3.46Å; A245-Q247 VanDerWaalsContact O-N 3.1Å
246E82.4Confident95.9Very high198 Ų19850.3 Ų50.393%0.92531%0.306SS*.THydrogen-bonded Turntrans66.9-1-178-51.5-178.8171.900116.1M244M244-E246 PolarHBondContact O-N 2.61Å; M244-E246 VanDerWaalsContact O-N 3.12Å
247Q92Very high95.9Very high116 Ų11648.8 Ų48.854%0.54230%0.299SS..EExtended strand (participates in β ladder)trans-94.5136.9170.7-173.9172.19.600110.9T243 M244 A245 F249T243-Q247 CarbonylContact C-O 3.55Å; T243-Q247 VanDerWaalsContact CA-O 3.27Å; T243-Q247 WeakPolarHBondContact CA-O 3.36Å; M244-Q247 PolarHBondContact N-O 2.63Å; M244-Q247 WeakPolarHBondContact O-CA 3.2Å; M244-Q247 PolarHBondContact O-N 2.94Å; M244-Q247 VanDerWaalsContact O-O 3.08Å; A245-Q247 PolarHBondContact O-N 3.46Å; A245-Q247 VanDerWaalsContact O-N 3.1Å; Q247-F249 HydrophobicContact CB-CE2 4.17Å; Q247-F249 HydrophobicContact CB-CZ 4.37Å; Q247-F249 HydrophobicContact CG-CD2 4.47Å; Q247-F249 HydrophobicContact CG-CE1 4.27Å; Q247-F249 HydrophobicContact CG-CE2 3.9Å; Q247-F249 HydrophobicContact CG-CZ 3.78Å; Q247-F249 VanDerWaalsContact OE1-CZ 3.31Å
248T95.6Very high95.8Very high77 Ų7746.3 Ų46.347%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-109.1126.3173.1-63.10000110.4A241 V242 T243A241-T248 HydrophobicContact CB-CG2 4Å; V242-T248 CarbonylContact O-C 3.52Å; V242-T248 WeakPolarHBondContact O-CA 3.24Å; T243-T248 PolarHBondContact OG1-OG1 2.98Å
249F96.6Very high95.7Very high26 Ų2644.6 Ų44.611%0.11427%0.27CS..EExtended strand (participates in β ladder)trans-102.5118.7173.9-58-88.2000108.7P6 L7 A241 V242 M244 Q247 L251 L257P6-F249 HydrophobicContact CG-CE1 3.89Å; P6-F249 HydrophobicContact CG-CZ 4.05Å; L7-F249 HydrophobicContact CB-CD1 4.29Å; L7-F249 HydrophobicContact CD2-CD1 4.46Å; A241-F249 CarbonylContact C-O 3.52Å; A241-F249 WeakPolarHBondContact CA-O 3.21Å; V242-F249 PolarHBondContact N-O 3.04Å; V242-F249 PolarHBondContact O-N 2.98Å; M244-F249 HydrophobicContact CB-CE2 4.43Å; Q247-F249 HydrophobicContact CB-CE2 4.17Å; Q247-F249 HydrophobicContact CB-CZ 4.37Å; Q247-F249 HydrophobicContact CG-CD2 4.47Å; Q247-F249 HydrophobicContact CG-CE1 4.27Å; Q247-F249 HydrophobicContact CG-CE2 3.9Å; Q247-F249 HydrophobicContact CG-CZ 3.78Å; Q247-F249 VanDerWaalsContact OE1-CZ 3.31Å; F249-L251 HydrophobicContact CB-CD1 4.22Å; F249-L251 WeakPolarHBondContact O-CD1 3.35Å; F249-L257 HydrophobicContact CB-CD1 4.28Å; F249-L257 HydrophobicContact CB-CD2 4.35Å; F249-L257 HydrophobicContact CD1-CD1 4.15Å; F249-L257 HydrophobicContact CD2-CD1 4.41Å; F249-L257 HydrophobicContact CD2-CD2 4.48Å; F249-L257 HydrophobicContact CG-CD1 4.02Å
250S97.7Very high95.6Very high85 Ų8545.3 Ų45.359%0.59427%0.274SS*.EExtended strand (participates in β ladder)trans-87.7124.5171.9-610000109.4
251L98.5Very high95.3Very high1 Ų148.8 Ų48.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-107.3134.4176.8-70.375.8000109.5L7 I233 Q235 S239 S240 V242 F249 D255 L257L7-L251 HydrophobicContact CD1-CD1 4.28Å; L7-L251 HydrophobicContact CD1-CG 3.82Å; I233-L251 HydrophobicContact CB-CD2 4.44Å; I233-L251 HydrophobicContact CG2-CD2 3.97Å; Q235-L251 HydrophobicContact CB-CB 3.99Å; Q235-L251 HydrophobicContact CB-CD2 4.19Å; Q235-L251 HydrophobicContact CG-CB 4.19Å; S239-L251 CarbonylContact C-O 3.54Å; S239-L251 WeakPolarHBondContact CA-O 3.22Å; S239-L251 WeakPolarHBondContact CB-O 3.27Å; S240-L251 PolarHBondContact N-O 2.87Å; S240-L251 PolarHBondContact O-N 2.8Å; V242-L251 HydrophobicContact CB-CD1 4.35Å; V242-L251 HydrophobicContact CG2-CD1 3.9Å; F249-L251 HydrophobicContact CB-CD1 4.22Å; F249-L251 WeakPolarHBondContact O-CD1 3.35Å; L251-D255 HydrophobicContact CB-CB 4.23Å; L251-D255 HydrophobicContact CG-CB 4.39Å; L251-L257 HydrophobicContact CD1-CB 4.47Å; L251-L257 HydrophobicContact CD1-CD2 4.34Å; L251-L257 HydrophobicContact CD2-CB 3.92Å
252T98.4Very high95Very high77 Ų7754.3 Ų54.347%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-116.1172.9170.163.30000110.4Q235 G254 D255Q235-T252 WeakPolarHBondContact CB-O 3.36Å; Q235-T252 WeakPolarHBondContact CG-O 3.44Å; T252-G254 PolarHBondContact O-N 2.82Å; T252-D255 WeakPolarHBondContact CA-OD2 3.44Å; T252-D255 PolarHBondContact N-OD2 3.16Å; T252-D255 VanDerWaalsContact O-CB 3.27Å; T252-D255 WeakPolarHBondContact O-CB 3.18Å; T252-D255 PolarHBondContact O-N 2.81Å; T252-D255 PolarHBondContact OG1-OD2 2.72Å
253S98.3Very high94.7Very high71 Ų7155.7 Ų55.750%0.49732%0.321SS..THydrogen-bonded Turntrans-53.2128.9178.9179.60000111.7Q235 M236 G238Q235-S253 CarbonylContact O-C 3.57Å; Q235-S253 WeakPolarHBondContact O-CA 3.16Å; M236-S253 PolarHBondContact O-OG 2.84Å; G238-S253 PolarHBondContact O-N 2.76Å
254G98.1Very high94.6Very high8 Ų859 Ų598%0.08233%0.332CS..THydrogen-bonded Turntrans91.9-15.6-175.100000114.4N9 V10 Q235 T252N9-G254 WeakPolarHBondContact CA-O 3.35Å; N9-G254 VanDerWaalsContact ND2-C 3.31Å; V10-G254 PolarHBondContact N-O 3.27Å; Q235-G254 PolarHBondContact O-N 2.72Å; T252-G254 PolarHBondContact O-N 2.82Å
255D98.7Very high94.8Very high21 Ų2158.4 Ų58.411%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-76.8141.1178.7-61.6-30.1000111.7L7 N9 Q235 L251 T252L7-D255 HydrophobicContact CD1-CB 4.04Å; N9-D255 WeakPolarHBondContact CB-OD1 3.35Å; N9-D255 PolarHBondContact ND2-OD1 2.73Å; Q235-D255 WeakPolarHBondContact CB-O 3.39Å; Q235-D255 PolarHBondContact N-O 2.94Å; L251-D255 HydrophobicContact CB-CB 4.23Å; L251-D255 HydrophobicContact CG-CB 4.39Å; T252-D255 WeakPolarHBondContact CA-OD2 3.44Å; T252-D255 PolarHBondContact N-OD2 3.16Å; T252-D255 VanDerWaalsContact O-CB 3.27Å; T252-D255 WeakPolarHBondContact O-CB 3.18Å; T252-D255 PolarHBondContact O-N 2.81Å; T252-D255 PolarHBondContact OG1-OD2 2.72Å
256S98.6Very high95.4Very high0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-123.5148.3172.665.90000110.9L7 V8 V10 I233L7-S256 CarbonylContact C-O 3.56Å; L7-S256 VanDerWaalsContact CA-O 3.3Å; L7-S256 WeakPolarHBondContact CA-O 3.34Å; L7-S256 WeakPolarHBondContact CD1-O 3.4Å; V8-S256 PolarHBondContact N-O 3.29Å; V8-S256 WeakPolarHBondContact O-CA 3.3Å; V8-S256 PolarHBondContact O-N 2.84Å; V8-S256 PolarHBondContact O-OG 2.87Å; V10-S256 WeakPolarHBondContact CG2-OG 3.39Å; I233-S256 CarbonylContact O-C 3.5Å; I233-S256 WeakPolarHBondContact O-CA 3.44Å; I233-S256 VanDerWaalsContact O-CB 3.23Å; I233-S256 WeakPolarHBondContact O-CB 3.37Å
257L97.9Very high96.1Very high0 Ų048.3 Ų48.30%026%0.263CS..EExtended strand (participates in β ladder)trans-133.6124.1179-176.777.4000109.9P6 L7 I233 V242 M244 F249 L251 I259P6-L257 HydrophobicContact CB-CD1 3.78Å; P6-L257 HydrophobicContact CG-CD1 4.09Å; P6-L257 VanDerWaalsContact O-CA 3.26Å; P6-L257 WeakPolarHBondContact O-CA 3.27Å; L7-L257 HydrophobicContact CB-CD1 3.86Å; L7-L257 HydrophobicContact CD1-CB 4.47Å; L7-L257 HydrophobicContact CD1-CD1 4.39Å; I233-L257 HydrophobicContact CB-CB 4.48Å; I233-L257 PolarHBondContact N-O 3.31Å; I233-L257 PolarHBondContact O-N 3.39Å; V242-L257 HydrophobicContact CB-CD2 3.62Å; V242-L257 HydrophobicContact CG1-CD2 3.62Å; V242-L257 HydrophobicContact CG2-CD2 3.77Å; M244-L257 HydrophobicContact SD-CD2 4.46Å; F249-L257 HydrophobicContact CB-CD1 4.28Å; F249-L257 HydrophobicContact CB-CD2 4.35Å; F249-L257 HydrophobicContact CD1-CD1 4.15Å; F249-L257 HydrophobicContact CD2-CD1 4.41Å; F249-L257 HydrophobicContact CD2-CD2 4.48Å; F249-L257 HydrophobicContact CG-CD1 4.02Å; L251-L257 HydrophobicContact CD1-CB 4.47Å; L251-L257 HydrophobicContact CD1-CD2 4.34Å; L251-L257 HydrophobicContact CD2-CB 3.92Å; L257-I259 HydrophobicContact CD2-CD1 4.44Å; L257-I259 HydrophobicContact CD2-CG1 4.02Å; L257-I259 HydrophobicContact CG-CG1 4.39Å
258L97.6Very high96.4Very high8 Ų848.1 Ų48.14%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-85.7120.2164.6-171.575000110P6 H31 D230 W232P6-L258 WeakPolarHBondContact CB-O 3.38Å; P6-L258 PolarHBondContact O-N 3.3Å; H31-L258 HydrophobicContact CB-CD2 4.02Å; D230-L258 HydrophobicContact CB-CD1 4.09Å; W232-L258 HydrophobicContact CB-CD1 4.15Å
259I95.7Very high96.5Very high1 Ų145.3 Ų45.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-96.9112.3168.6-56.4-170.7000107.1D230 L231 I233 V242 M244 L257 Y265D230-I259 WeakPolarHBondContact CA-O 3.29Å; L231-I259 HydrophobicContact CB-CB 4.3Å; L231-I259 HydrophobicContact CD2-CD1 4.11Å; L231-I259 HydrophobicContact CD2-CG1 4.33Å; L231-I259 PolarHBondContact N-O 3.23Å; L231-I259 PolarHBondContact O-N 3.18Å; I233-I259 HydrophobicContact CD1-CD1 3.82Å; I233-I259 HydrophobicContact CD1-CG1 4.47Å; V242-I259 HydrophobicContact CG1-CD1 3.83Å; M244-I259 HydrophobicContact CE-CB 4.33Å; M244-I259 HydrophobicContact CE-CG2 3.8Å; M244-I259 HydrophobicContact SD-CB 4.11Å; M244-I259 HydrophobicContact SD-CD1 4.09Å; M244-I259 HydrophobicContact SD-CG1 3.71Å; M244-I259 HydrophobicContact SD-CG2 3.82Å; L257-I259 HydrophobicContact CD2-CD1 4.44Å; L257-I259 HydrophobicContact CD2-CG1 4.02Å; L257-I259 HydrophobicContact CG-CG1 4.39Å; I259-Y265 HydrophobicContact CD1-CD1 4.1Å; I259-Y265 HydrophobicContact CD1-CD2 3.62Å; I259-Y265 HydrophobicContact CD1-CE1 4.47Å; I259-Y265 HydrophobicContact CD1-CE2 4.04Å; I259-Y265 HydrophobicContact CD1-CG 3.67Å; I259-Y265 HydrophobicContact CG2-CD1 4.08Å; I259-Y265 HydrophobicContact CG2-CG 4.37Å
260P94.8Very high96.5Very high57 Ų5747.5 Ų47.537%0.3726%0.255SS..  trans-64.9150.7-178.7-22.334.7000112.6D230 S263D230-P260 VanDerWaalsContact OD1-CA 3.26Å; D230-P260 WeakPolarHBondContact OD1-CA 3.26Å; P260-S263 WeakPolarHBondContact O-CB 3.45Å; P260-S263 PolarHBondContact O-N 2.81Å; P260-S263 VanDerWaalsContact O-N 3.13Å; P260-S263 PolarHBondContact O-OG 3.18Å
261E93.1Very high96.5Very high77 Ų7751.1 Ų51.136%0.3626%0.263SS..THydrogen-bonded Turntrans-47.4145.1172.567.9-173.4-178.900112.7T229 D230 S263T229-E261 VanDerWaalsContact C-CB 3.48Å; T229-E261 WeakPolarHBondContact O-CA 3.45Å; D230-E261 PolarHBondContact OD1-N 3.49Å; E261-S263 PolarHBondContact O-N 2.87Å
262Q91.2Very high96.3Very high141 Ų14153.4 Ų53.466%0.65929%0.287SS*.THydrogen-bonded Turntrans63.72.5-177.2-51.9177.8-8.700115.2Q227Q227-Q262 VanDerWaalsContact O-CA 3.28Å; Q227-Q262 WeakPolarHBondContact O-CA 3.45Å; Q227-Q262 PolarHBondContact O-N 3.39Å
263S91.8Very high96.3Very high30 Ų3049.9 Ų49.921%0.2127%0.265CS..  trans-73.3133.7174.6-58.50000111.1P260 E261P260-S263 WeakPolarHBondContact O-CB 3.45Å; P260-S263 PolarHBondContact O-N 2.81Å; P260-S263 VanDerWaalsContact O-N 3.13Å; P260-S263 PolarHBondContact O-OG 3.18Å; E261-S263 PolarHBondContact O-N 2.87Å
264Q93.6Very high96.3Very high118 Ų11846.8 Ų46.855%0.55124%0.243SC*.EExtended strand (participates in β ladder)trans-80.5130.8166.8-173.2-179.4-42.300109.5T224 S225 V226T224-Q264 HydrophobicContact CG2-CG 3.47Å; T224-Q264 VanDerWaalsContact CG2-CG 3.47Å; S225-Q264 WeakPolarHBondContact O-CA 3.32Å; V226-Q264 HydrophobicContact CG2-CB 4.04Å; V226-Q264 HydrophobicContact CG2-CG 4.17Å
265Y95.4Very high96.3Very high13 Ų1346.4 Ų46.45%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-139.4156.1176.576.5-78.8000112.5T222 T224 S225 Q227 L231 V242 T243 M244 I259 W267T222-Y265 HydrophobicContact CG2-CE2 4.31Å; T224-Y265 WeakPolarHBondContact CA-O 3.46Å; S225-Y265 PolarHBondContact N-O 3.48Å; S225-Y265 PolarHBondContact O-N 3.45Å; Q227-Y265 HydrophobicContact CG-CE1 3.93Å; L231-Y265 HydrophobicContact CD1-CE1 4.4Å; L231-Y265 WeakPolarHBondContact CD1-OH 3.41Å; V242-Y265 HydrophobicContact CG1-CD2 4.39Å; T243-Y265 CarbonylContact O-C 3.59Å; T243-Y265 VanDerWaalsContact O-CA 3.24Å; T243-Y265 WeakPolarHBondContact O-CA 3.48Å; M244-Y265 VanDerWaalsContact CG-CB 3.47Å; I259-Y265 HydrophobicContact CD1-CD1 4.1Å; I259-Y265 HydrophobicContact CD1-CD2 3.62Å; I259-Y265 HydrophobicContact CD1-CE1 4.47Å; I259-Y265 HydrophobicContact CD1-CE2 4.04Å; I259-Y265 HydrophobicContact CD1-CG 3.67Å; I259-Y265 HydrophobicContact CG2-CD1 4.08Å; I259-Y265 HydrophobicContact CG2-CG 4.37Å; Y265-W267 HydrophobicContact CD2-CB 4.1Å; Y265-W267 HydrophobicContact CE2-CB 4.06Å
266K96.6Very high96.3Very high86 Ų8645.4 Ų45.437%0.37423%0.234SC..EExtended strand (participates in β ladder)trans-122142.5166.6-179.3175.4-179.1167.30107.7L221 T222 V242 T243L221-K266 HydrophobicContact CD1-CG 4.36Å; T222-K266 WeakPolarHBondContact O-CG 3.44Å; V242-K266 CarbonylContact C-O 3.45Å; V242-K266 WeakPolarHBondContact CA-O 3.37Å; T243-K266 PolarHBondContact N-O 2.76Å; T243-K266 PolarHBondContact O-N 3.2Å
267W97.6Very high96.3Very high2 Ų245.6 Ų45.61%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-136.6113.5-176.8-174.628.6000112.1F217 T222 I233 S240 V242 Y265 R269 A275 V277F217-W267 HydrophobicContact CB-CH2 4.04Å; F217-W267 HydrophobicContact CB-CZ3 4.15Å; F217-W267 HydrophobicContact CD1-CZ3 4.11Å; F217-W267 HydrophobicContact CD2-CH2 4.19Å; F217-W267 AromaticContact CD2-CZ3 3.87Å; F217-W267 HydrophobicContact CD2-CZ3 3.87Å; F217-W267 HydrophobicContact CE2-CZ3 4.27Å; F217-W267 HydrophobicContact CG-CH2 4.12Å; F217-W267 AromaticContact CG-CZ3 3.79Å; F217-W267 HydrophobicContact CG-CZ3 3.79Å; T222-W267 PolarHBondContact N-O 2.77Å; T222-W267 PolarHBondContact O-N 3.48Å; I233-W267 HydrophobicContact CD1-CD2 4.07Å; I233-W267 HydrophobicContact CD1-CE3 4.26Å; I233-W267 HydrophobicContact CD1-CH2 4.29Å; I233-W267 HydrophobicContact CD1-CZ2 4.09Å; I233-W267 HydrophobicContact CD1-CZ3 4.38Å; I233-W267 HydrophobicContact CG2-CH2 3.94Å; I233-W267 HydrophobicContact CG2-CZ2 3.61Å; S240-W267 PolarHBondContact OG-NE1 2.81Å; V242-W267 HydrophobicContact CG2-CB 4.4Å; V242-W267 HydrophobicContact CG2-CG 3.87Å; Y265-W267 HydrophobicContact CD2-CB 4.1Å; Y265-W267 HydrophobicContact CE2-CB 4.06Å; W267-R269 HydrophobicContact CD2-CG 3.88Å; W267-R269 VanDerWaalsContact CE2-CG 3.49Å; W267-R269 HydrophobicContact CE3-CG 4.46Å; W267-R269 HydrophobicContact CG-CG 4.26Å; W267-R269 HydrophobicContact CH2-CG 4.38Å; W267-R269 HydrophobicContact CZ2-CG 3.79Å; W267-R269 PolarHBondContact O-NH1 2.9Å; W267-A275 HydrophobicContact CH2-CB 3.52Å; W267-A275 HydrophobicContact CZ2-CB 3.51Å; W267-V277 HydrophobicContact CH2-CG2 3.6Å; W267-V277 HydrophobicContact CZ3-CG2 3.71Å
268Q98Very high96.3Very high112 Ų11245.6 Ų45.652%0.52324%0.235SC..EExtended strand (participates in β ladder)trans-102.9120.6176.6-178.6170.13.500110L221 S240 A241L221-Q268 HydrophobicContact CD1-CB 4.05Å; S240-Q268 CarbonylContact C-O 3.52Å; S240-Q268 VanDerWaalsContact CA-O 3.24Å; S240-Q268 WeakPolarHBondContact CA-O 3.47Å; S240-Q268 WeakPolarHBondContact CB-O 3.36Å; A241-Q268 PolarHBondContact N-O 2.81Å; A241-Q268 PolarHBondContact O-N 3.08Å
269R98.1Very high96.3Very high17 Ų1745.7 Ų45.76%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-110.8120.6-178-64.9174.7-60.2-77.6-0.9109.6G218 G220 T222 W267 T273G218-R269 WeakPolarHBondContact O-CD 3.33Å; G218-R269 PolarHBondContact O-NE 3.37Å; G220-R269 PolarHBondContact N-O 3.3Å; G220-R269 PolarHBondContact O-N 3.26Å; T222-R269 PolarHBondContact OG1-NH1 2.84Å; W267-R269 HydrophobicContact CD2-CG 3.88Å; W267-R269 VanDerWaalsContact CE2-CG 3.49Å; W267-R269 HydrophobicContact CE3-CG 4.46Å; W267-R269 HydrophobicContact CG-CG 4.26Å; W267-R269 HydrophobicContact CH2-CG 4.38Å; W267-R269 HydrophobicContact CZ2-CG 3.79Å; W267-R269 PolarHBondContact O-NH1 2.9Å; R269-T273 HydrophobicContact CB-CG2 3.81Å; R269-T273 HydrophobicContact CG-CG2 3.97Å
270N97.8Very high96.4Very high72 Ų7245.6 Ų45.639%0.38524%0.236SC..  trans-74.2166.7-178.2-62.7-34.3000111.2S239 T273S239-N270 WeakPolarHBondContact O-CB 3.4Å; S239-N270 PolarHBondContact O-N 2.98Å; S239-N270 VanDerWaalsContact O-N 3.08Å; S239-N270 PolarHBondContact O-ND2 2.91Å; S239-N270 PolarHBondContact OG-ND2 3.1Å; N270-T273 PolarHBondContact N-OG1 2.8Å; N270-T273 WeakPolarHBondContact O-CB 3.31Å; N270-T273 PolarHBondContact O-N 3Å; N270-T273 VanDerWaalsContact O-N 3.1Å; N270-T273 PolarHBondContact O-OG1 3.12Å
271E96.8Very high96.5Very high161 Ų16144 Ų4475%0.75222%0.224SC*.THydrogen-bonded Turntrans-52141.6171.2-74.8-58.4148.400112T273E271-T273 PolarHBondContact O-N 3.22Å
272G94.6Very high96.6Very high49 Ų4941.7 Ų41.751%0.50522%0.215SC..THydrogen-bonded Turntrans73.85.5-174.900000115.5V274G272-V274 PolarHBondContact O-N 2.69Å
273T97.8Very high96.7Very high3 Ų342.6 Ų42.62%0.01822%0.22CC..  trans-62.1132.5173.5-69.60000111.4G218 E237 S239 R269 N270 E271 A275G218-T273 VanDerWaalsContact CA-O 3.32Å; G218-T273 WeakPolarHBondContact CA-O 3.33Å; E237-T273 WeakPolarHBondContact O-CA 3.36Å; S239-T273 PolarHBondContact O-OG1 2.96Å; R269-T273 HydrophobicContact CB-CG2 3.81Å; R269-T273 HydrophobicContact CG-CG2 3.97Å; N270-T273 PolarHBondContact N-OG1 2.8Å; N270-T273 WeakPolarHBondContact O-CB 3.31Å; N270-T273 PolarHBondContact O-N 3Å; N270-T273 VanDerWaalsContact O-N 3.1Å; N270-T273 PolarHBondContact O-OG1 3.12Å; E271-T273 PolarHBondContact O-N 3.22Å; T273-A275 HydrophobicContact CG2-CB 4.1Å
274V98.2Very high96.8Very high6 Ų644.2 Ų44.24%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-126.9118.2155.1-179.60000107.1L190 V216 F217 M236 E237 G272L190-V274 HydrophobicContact CD1-CG1 3.7Å; L190-V274 HydrophobicContact CD2-CG1 3.97Å; L190-V274 HydrophobicContact CG-CG1 4.49Å; V216-V274 HydrophobicContact CG1-CG1 3.72Å; F217-V274 WeakPolarHBondContact O-CA 3.46Å; M236-V274 HydrophobicContact CB-CG1 4.42Å; M236-V274 WeakPolarHBondContact CB-O 3.17Å; M236-V274 PolarHBondContact N-O 2.98Å; E237-V274 HydrophobicContact CB-CB 3.89Å; E237-V274 HydrophobicContact CB-CG2 4.11Å; E237-V274 HydrophobicContact CG-CB 4.14Å; E237-V274 HydrophobicContact CG-CG2 4.32Å; E237-V274 PolarHBondContact N-O 3.41Å; E237-V274 PolarHBondContact O-N 2.87Å; G272-V274 PolarHBondContact O-N 2.69Å
275A98.5Very high96.7Very high0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-127.7127.7178.400000110.5V216 F217 I233 W234 W267 T273V216-A275 CarbonylContact C-O 3.57Å; V216-A275 WeakPolarHBondContact CA-O 3.5Å; F217-A275 PolarHBondContact N-O 2.78Å; F217-A275 PolarHBondContact O-N 2.7Å; I233-A275 HydrophobicContact CG2-CB 4.34Å; W234-A275 CarbonylContact O-C 3.57Å; W234-A275 WeakPolarHBondContact O-CA 3.13Å; W267-A275 HydrophobicContact CH2-CB 3.52Å; W267-A275 HydrophobicContact CZ2-CB 3.51Å; T273-A275 HydrophobicContact CG2-CB 4.1Å
276L98.7Very high96Very high1 Ų147.4 Ų47.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-83.8136.6170.1-171.373.2000108.1M85 F186 I205 V214 M215 V216 I233 W234 M236 V278M85-L276 HydrophobicContact CE-CD1 4.24Å; M85-L276 HydrophobicContact CE-CD2 3.85Å; F186-L276 HydrophobicContact CE2-CD1 4.27Å; F186-L276 HydrophobicContact CZ-CD1 4.28Å; I205-L276 HydrophobicContact CD1-CD1 3.81Å; V214-L276 HydrophobicContact CG1-CD1 3.41Å; V214-L276 VanDerWaalsContact CG1-CD1 3.41Å; V214-L276 HydrophobicContact CG1-CG 4.13Å; M215-L276 CarbonylContact O-C 3.58Å; M215-L276 WeakPolarHBondContact O-CA 3.37Å; V216-L276 HydrophobicContact CG2-CD1 3.85Å; I233-L276 CarbonylContact C-O 3.56Å; I233-L276 WeakPolarHBondContact CA-O 3.02Å; W234-L276 HydrophobicContact CB-CB 4.34Å; W234-L276 HydrophobicContact CE3-CD2 4.37Å; W234-L276 PolarHBondContact N-O 2.79Å; W234-L276 PolarHBondContact O-N 3.03Å; M236-L276 HydrophobicContact CE-CB 3.73Å; M236-L276 HydrophobicContact CE-CD2 3.64Å; M236-L276 HydrophobicContact CE-CG 4.3Å; M236-L276 HydrophobicContact CG-CB 4.38Å; L276-V278 HydrophobicContact CD2-CG2 4.42Å; L276-V278 HydrophobicContact CG-CG2 4.42Å
277V98.4Very high94.3Very high4 Ų451.2 Ų51.22%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-130.4129.1176177.40000108.4V214 M215 F217 L231 W232 I233 W267 V279V214-V277 CarbonylContact C-O 3.59Å; V214-V277 WeakPolarHBondContact CA-O 3.3Å; M215-V277 HydrophobicContact CB-CB 4.26Å; M215-V277 PolarHBondContact N-O 2.91Å; M215-V277 PolarHBondContact O-N 3.48Å; F217-V277 HydrophobicContact CD2-CB 4.16Å; F217-V277 HydrophobicContact CD2-CG2 3.63Å; F217-V277 HydrophobicContact CE2-CB 3.94Å; F217-V277 HydrophobicContact CE2-CG1 4.5Å; F217-V277 HydrophobicContact CE2-CG2 3.76Å; L231-V277 HydrophobicContact CD1-CG1 3.81Å; L231-V277 HydrophobicContact CD2-CG1 3.57Å; L231-V277 HydrophobicContact CG-CG1 3.51Å; W232-V277 CarbonylContact O-C 3.5Å; W232-V277 VanDerWaalsContact O-CA 3.3Å; W232-V277 WeakPolarHBondContact O-CA 3.21Å; I233-V277 HydrophobicContact CG1-CG2 4.19Å; I233-V277 HydrophobicContact CG2-CG2 4.46Å; W267-V277 HydrophobicContact CH2-CG2 3.6Å; W267-V277 HydrophobicContact CZ3-CG2 3.71Å; V277-V279 HydrophobicContact CG1-CG2 4.47Å
278V98.5Very high94.1Very high0 Ų053.7 Ų53.70%027%0.273CS..EExtended strand (participates in β ladder)trans-120.1131.7178.7-173.90000109.9L57 M107 T212 E213 V214 W232 L276L57-V278 HydrophobicContact CD2-CG1 4.15Å; L57-V278 HydrophobicContact CD2-CG2 3.91Å; M107-V278 HydrophobicContact CE-CB 3.66Å; M107-V278 HydrophobicContact CE-CG1 3.64Å; M107-V278 HydrophobicContact CE-CG2 4.28Å; M107-V278 HydrophobicContact SD-CB 3.85Å; M107-V278 HydrophobicContact SD-CG1 3.86Å; M107-V278 HydrophobicContact SD-CG2 3.8Å; T212-V278 HydrophobicContact CG2-CG1 4.23Å; E213-V278 WeakPolarHBondContact O-CA 3.42Å; V214-V278 HydrophobicContact CG1-CG2 4.19Å; V214-V278 HydrophobicContact CG2-CG1 4.37Å; V214-V278 HydrophobicContact CG2-CG2 4.27Å; W232-V278 HydrophobicContact CE3-CG2 4.5Å; W232-V278 PolarHBondContact N-O 3.27Å; W232-V278 PolarHBondContact O-N 3.49Å; L276-V278 HydrophobicContact CD2-CG2 4.42Å; L276-V278 HydrophobicContact CG-CG2 4.42Å
279V97.8Very high93.9Very high9 Ų950.6 Ų50.66%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-135.7139.6173.2-179.60000108.2E213 T229 L231 V277 N281E213-V279 PolarHBondContact N-O 3.37Å; E213-V279 PolarHBondContact O-N 3.31Å; T229-V279 VanDerWaalsContact OG1-CG1 3.25Å; T229-V279 WeakPolarHBondContact OG1-CG1 3.27Å; L231-V279 HydrophobicContact CB-CG2 3.96Å; L231-V279 HydrophobicContact CD1-CG2 4.08Å; L231-V279 HydrophobicContact CG-CG2 3.81Å; V277-V279 HydrophobicContact CG1-CG2 4.47Å; V279-N281 HydrophobicContact CG1-CB 4.48Å
280Q97.9Very high93.7Very high0 Ų052.5 Ų52.50%027%0.271CS..EExtended strand (participates in β ladder)trans-127.295.9170.9-73.8-173.3-37.200108.9Q34 L35 E55 E108 R109 T212 P282Q34-Q280 PolarHBondContact NE2-O 3Å; L35-Q280 HydrophobicContact CD1-CB 3.99Å; L35-Q280 HydrophobicContact CD1-CG 4.07Å; E55-Q280 PolarHBondContact O-NE2 3.4Å; E108-Q280 PolarHBondContact O-OE1 2.95Å; R109-Q280 HydrophobicContact CB-CB 3.89Å; R109-Q280 HydrophobicContact CG-CB 4.09Å; T212-Q280 HydrophobicContact CG2-CG 3.79Å; T212-Q280 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q280 PolarHBondContact OG1-NE2 3.15Å; Q280-P282 WeakPolarHBondContact O-CD 3.34Å
281N96.2Very high93.5Very high24 Ų2451.4 Ų51.413%0.12826%0.264CS..  trans-95.6112.9-178.5-178.3-2.6000110.9E211 T229 V279 E283 R284E211-N281 VanDerWaalsContact CG-O 3.23Å; E211-N281 WeakPolarHBondContact CG-O 3.43Å; T229-N281 HydrophobicContact CG2-CB 4.14Å; V279-N281 HydrophobicContact CG1-CB 4.48Å; N281-E283 PolarHBondContact O-N 3.01Å; N281-E283 VanDerWaalsContact O-N 3.09Å; N281-E283 WeakPolarHBondContact OD1-CB 3.42Å; N281-E283 PolarHBondContact OD1-N 2.96Å; N281-R284 HydrophobicContact CB-CG 4.23Å; N281-R284 WeakPolarHBondContact O-CB 3.09Å; N281-R284 PolarHBondContact O-N 3.47Å
282P95.1Very high93.3Very high27 Ų2744.5 Ų44.518%0.17523%0.233CC..G310 helixtrans-59.7-21.8179.523.3-33.2000114L112 Q280 R284 K285L112-P282 HydrophobicContact CD1-CB 4.02Å; L112-P282 HydrophobicContact CD2-CB 3.84Å; L112-P282 HydrophobicContact CD2-CG 3.95Å; L112-P282 HydrophobicContact CG-CB 3.98Å; Q280-P282 WeakPolarHBondContact O-CD 3.34Å; P282-R284 PolarHBondContact O-N 2.8Å; P282-K285 WeakPolarHBondContact O-CB 3.3Å; P282-K285 PolarHBondContact O-N 3.08Å; P282-K285 VanDerWaalsContact O-N 3.11Å
283E93.9Very high93.2Very high161 Ų16144.2 Ų44.275%0.75222%0.215SC*.G310 helixtrans-68-17.9174.2-61.9-176.215600112.9N281 K285N281-E283 PolarHBondContact O-N 3.01Å; N281-E283 VanDerWaalsContact O-N 3.09Å; N281-E283 WeakPolarHBondContact OD1-CB 3.42Å; N281-E283 PolarHBondContact OD1-N 2.96Å; E283-K285 VanDerWaalsContact C-N 3.35Å
284R94.1Very high92.8Very high64 Ų6447.1 Ų47.124%0.24223%0.229CC..G310 helixtrans-90-2.5174.5-63.7178.853.8129.6-3.9113.1F210 E211 E213 N281 P282 R286F210-R284 PolarHBondContact O-NH2 2.82Å; E211-R284 HydrophobicContact CG-CB 4.22Å; E211-R284 PolarHBondContact O-NE 2.91Å; E213-R284 VanDerWaalsContact CG-CZ 3.44Å; E213-R284 IonicContact OE1-CZ 2.9Å; E213-R284 IonicContact OE1-NH1 2.72Å; E213-R284 PolarHBondContact OE1-NH1 3.2Å; E213-R284 IonicContact OE1-NH2 3.69Å; E213-R284 IonicContact OE2-CZ 3.52Å; E213-R284 IonicContact OE2-NE 2.69Å; E213-R284 IonicContact OE2-NH1 2.8Å; E213-R284 PolarHBondContact OE2-NH1 3.15Å; N281-R284 HydrophobicContact CB-CG 4.23Å; N281-R284 WeakPolarHBondContact O-CB 3.09Å; N281-R284 PolarHBondContact O-N 3.47Å; P282-R284 PolarHBondContact O-N 2.8Å; R284-R286 PolarHBondContact O-N 2.9Å
285K90.5Very high92.4Very high46 Ų4650.3 Ų50.320%0.224%0.244CC..  trans-53.4129.7-179.6-174.7176.6175-174.20109.7E53 E115 E211 P282 E283E53-K285 VanDerWaalsContact CB-NZ 3.34Å; E53-K285 WeakPolarHBondContact O-CE 3.45Å; E53-K285 IonicContact OE2-NZ 3.61Å; E53-K285 PolarHBondContact OE2-NZ 3.44Å; E115-K285 WeakPolarHBondContact OE1-CD 3.5Å; E115-K285 WeakPolarHBondContact OE1-CE 3.41Å; E115-K285 IonicContact OE1-NZ 2.71Å; E115-K285 PolarHBondContact OE1-NZ 2.91Å; E211-K285 VanDerWaalsContact OE2-CB 3.32Å; E211-K285 WeakPolarHBondContact OE2-CB 3.46Å; P282-K285 WeakPolarHBondContact O-CB 3.3Å; P282-K285 PolarHBondContact O-N 3.08Å; P282-K285 VanDerWaalsContact O-N 3.11Å; E283-K285 VanDerWaalsContact C-N 3.35Å
286R80.4Confident91.9Very high151 Ų15154.5 Ų54.557%0.5727%0.265SS*.  trans-83.9135.1175-59-58.5-173.8-179.2-4.4108.9A208 Q209 R284A208-R286 PolarHBondContact O-NH2 3.13Å; Q209-R286 WeakPolarHBondContact O-CG 3.18Å; Q209-R286 PolarHBondContact O-NE 3.49Å; R284-R286 PolarHBondContact O-N 2.9Å
287T61.2Low91.3Very high167 Ų16759.4 Ų59.4100%1.02529%0.288SS*.  trans-71.50173.951.90000111R91R91-T287 PolarHBondContact NH1-OXT 2.97Å

Retrieved 287 of 287 residues in 292.7 ms (Link to these results)

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