A0A087XQR0_POEFO Loading...

Retinoblastoma binding protein 4

AlphaFold DB , UniProt , Accession A0A087XQR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 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
1M57.5Low70Confident186 Ų186104.6 Ų104.692%0.91659%0.588SS**  0-54.30-150159.6179.700107.5D3 K4 D5M1-D3 PolarHBondContact O-N 3.24Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-D5 PolarHBondContact O-N 3.12Å
2A59.3Low71.6Confident75 Ų75100.8 Ų100.862%0.6257%0.568SS**Hα-helixtrans-48-53.5166.500000114.4K4 D5 A6A2-K4 PolarHBondContact O-N 3.36Å; A2-D5 PolarHBondContact O-N 3.49Å; A2-A6 PolarHBondContact O-N 3.34Å
3D60.4Low72.9Confident139 Ų13999.6 Ų99.674%0.74356%0.555SS**Hα-helixtrans-65.5-22.7180-48.3-27.8000114.2M1 A7M1-D3 PolarHBondContact O-N 3.24Å; D3-A7 VanDerWaalsContact O-CB 3.3Å; D3-A7 WeakPolarHBondContact O-CB 3.29Å; D3-A7 PolarHBondContact O-N 3.05Å
4K61.8Low74.1Confident164 Ų164101.1 Ų101.171%0.71356%0.556SS**Hα-helixtrans-82.2-35.9179-172.4-173.8172-170.30111M1 A2 F8M1-K4 PolarHBondContact O-N 3.01Å; A2-K4 PolarHBondContact O-N 3.36Å; K4-F8 PolarHBondContact O-N 2.95Å
5D64.9Low75.3Confident89 Ų89105.5 Ų105.548%0.47656%0.561SS.*Hα-helixtrans-73.8-41.1177.5-60.5-25.6000109.6M1 A2 F8 D9M1-D5 PolarHBondContact O-N 3.12Å; A2-D5 PolarHBondContact O-N 3.49Å; D5-F8 WeakPolarHBondContact O-CB 3.14Å; D5-F8 PolarHBondContact O-N 2.98Å; D5-F8 VanDerWaalsContact O-N 3.16Å; D5-D9 PolarHBondContact O-N 3.21Å
6A69.5Low76.5Confident49 Ų49103 Ų10341%0.40555%0.551SS.*Hα-helixtrans-58-50.6171.500000112.4A2 F8 D9 D10A2-A6 PolarHBondContact O-N 3.34Å; A6-F8 PolarHBondContact O-N 3.43Å; A6-F8 VanDerWaalsContact O-N 3.16Å; A6-D9 PolarHBondContact O-N 2.96Å; A6-D9 VanDerWaalsContact O-N 3.16Å; A6-D10 PolarHBondContact O-N 3.43Å
7A71.6Confident77.4Confident57 Ų5798.5 Ų98.547%0.47153%0.526SS..Hα-helixtrans-64-22.417800000114D3 A11D3-A7 VanDerWaalsContact O-CB 3.3Å; D3-A7 WeakPolarHBondContact O-CB 3.29Å; D3-A7 PolarHBondContact O-N 3.05Å; A7-A11 PolarHBondContact O-N 2.96Å
8F76.4Confident78.2Confident137 Ų13796.8 Ų96.860%0.60152%0.517SS*.Hα-helixtrans-77.5-43.5174.7178.4-93.6000111.3K4 D5 A6 A11 V12K4-F8 PolarHBondContact O-N 2.95Å; D5-F8 WeakPolarHBondContact O-CB 3.14Å; D5-F8 PolarHBondContact O-N 2.98Å; D5-F8 VanDerWaalsContact O-N 3.16Å; A6-F8 PolarHBondContact O-N 3.43Å; A6-F8 VanDerWaalsContact O-N 3.16Å; F8-A11 PolarHBondContact O-N 3.49Å; F8-V12 HydrophobicContact CD1-CG2 4.42Å; F8-V12 HydrophobicContact CE1-CG2 3.98Å; F8-V12 HydrophobicContact CZ-CG2 4.1Å; F8-V12 WeakPolarHBondContact O-CG2 3.04Å; F8-V12 PolarHBondContact O-N 3.01Å
9D80.2Confident79.1Confident102 Ų10296.9 Ų96.955%0.54551%0.514SS..Hα-helixtrans-63.3-43.7177.2-69.3-19.9000110.6D5 A6 A11 V12 E13D5-D9 PolarHBondContact O-N 3.21Å; A6-D9 PolarHBondContact O-N 2.96Å; A6-D9 VanDerWaalsContact O-N 3.16Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.72Å; D9-V12 PolarHBondContact O-N 3.11Å; D9-V12 VanDerWaalsContact O-N 3.16Å; D9-E13 PolarHBondContact O-N 3.3Å
10D82.6Confident79.8Confident99 Ų9995.2 Ų95.253%0.52950%0.503SS..Hα-helixtrans-56.5-44175.4-65-18.6000111.9A6 V12 E13 E14A6-D10 PolarHBondContact O-N 3.43Å; D10-V12 PolarHBondContact O-N 3.27Å; D10-E13 PolarHBondContact O-N 2.58Å; D10-E14 VanDerWaalsContact O-CB 3.32Å; D10-E14 WeakPolarHBondContact O-CB 3.11Å; D10-E14 PolarHBondContact O-N 3.28Å
11A85.8Confident80.4Confident54 Ų5493.5 Ų93.545%0.44649%0.49SS..Hα-helixtrans-69.8-32.2-178.900000113A7 F8 D9 R15A7-A11 PolarHBondContact O-N 2.96Å; F8-A11 PolarHBondContact O-N 3.49Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.72Å; A11-R15 PolarHBondContact O-N 2.94Å
12V89.3Confident81.9Confident58 Ų5889.6 Ų89.635%0.35247%0.468SS..Hα-helixtrans-70.3-44.6174.31730000109.8F8 D9 D10 R15 V16F8-V12 HydrophobicContact CD1-CG2 4.42Å; F8-V12 HydrophobicContact CE1-CG2 3.98Å; F8-V12 HydrophobicContact CZ-CG2 4.1Å; F8-V12 WeakPolarHBondContact O-CG2 3.04Å; F8-V12 PolarHBondContact O-N 3.01Å; D9-V12 PolarHBondContact O-N 3.11Å; D9-V12 VanDerWaalsContact O-N 3.16Å; D10-V12 PolarHBondContact O-N 3.27Å; V12-R15 PolarHBondContact O-N 2.91Å; V12-V16 PolarHBondContact O-N 3.22Å
13E88.8Confident83.6Confident86 Ų8690.5 Ų90.540%0.40246%0.462SS..Hα-helixtrans-62-47177.5-170.5173.9-174.400111.4D9 D10 R15 V16 I17 R341D9-E13 PolarHBondContact O-N 3.3Å; D10-E13 PolarHBondContact O-N 2.58Å; E13-R15 PolarHBondContact O-N 2.95Å; E13-V16 WeakPolarHBondContact O-CA 3.14Å; E13-V16 WeakPolarHBondContact O-CB 3.45Å; E13-V16 PolarHBondContact O-N 3.3Å; E13-I17 HydrophobicContact CG-CD1 3.87Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.2Å; E13-I17 PolarHBondContact O-N 3.04Å; E13-R341 IonicContact OE1-CZ 2.8Å; E13-R341 IonicContact OE1-NH1 3.3Å; E13-R341 PolarHBondContact OE1-NH1 2.99Å; E13-R341 IonicContact OE1-NH2 3.1Å; E13-R341 PolarHBondContact OE1-NH2 3.4Å
14E90.1Very high85.2Confident120 Ų12084.9 Ų84.956%0.56143%0.43SS*.Hα-helixtrans-55.8-37.9177.2-169.2-170.2168.600111.9D10 N18D10-E14 VanDerWaalsContact O-CB 3.32Å; D10-E14 WeakPolarHBondContact O-CB 3.11Å; D10-E14 PolarHBondContact O-N 3.28Å; E14-N18 WeakPolarHBondContact O-CB 3.4Å; E14-N18 PolarHBondContact O-N 3.23Å; E14-N18 PolarHBondContact O-ND2 2.96Å
15R91.4Very high86.4Confident168 Ų16880.2 Ų80.263%0.63441%0.41SS*.Hα-helixtrans-67.3-40.3175.8-170.6-176.366.8-175-1.9111.9A11 V12 E13 E19A11-R15 PolarHBondContact O-N 2.94Å; V12-R15 PolarHBondContact O-N 2.91Å; E13-R15 PolarHBondContact O-N 2.95Å; R15-E19 WeakPolarHBondContact O-CG 3.19Å; R15-E19 PolarHBondContact O-N 2.78Å
16V93.8Very high87.5Confident65 Ų6582.1 Ų82.139%0.39441%0.414SS..Hα-helixtrans-64.5-48.2176.7174.20000109.8V12 E13 N18 E19 E20V12-V16 PolarHBondContact O-N 3.22Å; E13-V16 WeakPolarHBondContact O-CA 3.14Å; E13-V16 WeakPolarHBondContact O-CB 3.45Å; E13-V16 PolarHBondContact O-N 3.3Å; V16-N18 VanDerWaalsContact C-N 3.31Å; V16-N18 PolarHBondContact O-N 2.85Å; V16-E19 PolarHBondContact O-N 2.93Å; V16-E19 VanDerWaalsContact O-N 3.14Å; V16-E20 HydrophobicContact CG1-CG 4.2Å; V16-E20 WeakPolarHBondContact O-CG 3.33Å; V16-E20 PolarHBondContact O-N 2.82Å
17I93.3Very high88.5Confident26 Ų2683.3 Ų83.313%0.13341%0.413CS..Hα-helixtrans-53.3-49.3177.4-68171.2000110.9E13 E19 E20 Y21 T375E13-I17 HydrophobicContact CG-CD1 3.87Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.2Å; E13-I17 PolarHBondContact O-N 3.04Å; I17-E19 PolarHBondContact O-N 3.07Å; I17-E20 PolarHBondContact O-N 3.32Å; I17-Y21 WeakPolarHBondContact O-CB 3.21Å; I17-Y21 PolarHBondContact O-N 2.88Å; I17-T375 HydrophobicContact CG2-CG2 3.65Å
18N90.7Very high89.2Confident69 Ų6981.3 Ų81.337%0.36940%0.395SS..Hα-helixtrans-64.2-36.3-179.1-81.3-52.3000113.5E14 V16 K22E14-N18 WeakPolarHBondContact O-CB 3.4Å; E14-N18 PolarHBondContact O-N 3.23Å; E14-N18 PolarHBondContact O-ND2 2.96Å; V16-N18 VanDerWaalsContact C-N 3.31Å; V16-N18 PolarHBondContact O-N 2.85Å; N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.5Å; N18-K22 PolarHBondContact O-N 3.19Å
19E95Very high89.7Confident98 Ų9877.8 Ų77.846%0.45839%0.386SS..Hα-helixtrans-74.2-42.4176.9-71-57.9125.300111.8R15 V16 I17 Y21 K22 I23R15-E19 WeakPolarHBondContact O-CG 3.19Å; R15-E19 PolarHBondContact O-N 2.78Å; V16-E19 PolarHBondContact O-N 2.93Å; V16-E19 VanDerWaalsContact O-N 3.14Å; I17-E19 PolarHBondContact O-N 3.07Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 3.33Å; E19-K22 IonicContact OE1-NZ 3.44Å; E19-K22 PolarHBondContact OE1-NZ 3.46Å; E19-I23 WeakPolarHBondContact O-CG1 3.18Å; E19-I23 PolarHBondContact O-N 2.85Å
20E94.2Very high90.1Very high62 Ų6280.1 Ų80.129%0.2939%0.392SS..Hα-helixtrans-59-44.9174-72.5-175.2163.600111.6V16 I17 K22 I23 W24 R342V16-E20 HydrophobicContact CG1-CG 4.2Å; V16-E20 WeakPolarHBondContact O-CG 3.33Å; V16-E20 PolarHBondContact O-N 2.82Å; I17-E20 PolarHBondContact O-N 3.32Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.26Å; E20-I23 PolarHBondContact O-N 2.94Å; E20-I23 VanDerWaalsContact O-N 3.15Å; E20-W24 WeakPolarHBondContact O-CB 3.37Å; E20-W24 PolarHBondContact O-N 3.03Å; E20-R342 VanDerWaalsContact CD-NH2 3.34Å; E20-R342 IonicContact OE1-NH2 2.88Å; E20-R342 IonicContact OE2-CZ 3.77Å; E20-R342 IonicContact OE2-NH2 3.18Å; E20-R342 PolarHBondContact OE2-NH2 3.35Å
21Y91.1Very high90.5Very high60 Ų6078 Ų7824%0.23538%0.38CS..Hα-helixtrans-61.4-40.5177.8-178.8-102.3000112.4I17 E19 I23 W24 K25 G373 T375I17-Y21 WeakPolarHBondContact O-CB 3.21Å; I17-Y21 PolarHBondContact O-N 2.88Å; E19-Y21 VanDerWaalsContact C-N 3.34Å; E19-Y21 PolarHBondContact O-N 2.9Å; Y21-I23 VanDerWaalsContact C-N 3.33Å; Y21-I23 PolarHBondContact O-N 2.79Å; Y21-W24 AromaticContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CZ3 4.12Å; Y21-W24 AromaticContact CE2-CE3 3.6Å; Y21-W24 HydrophobicContact CE2-CE3 3.6Å; Y21-W24 HydrophobicContact CE2-CH2 4.48Å; Y21-W24 AromaticContact CE2-CZ3 3.43Å; Y21-W24 HydrophobicContact CE2-CZ3 3.43Å; Y21-W24 VanDerWaalsContact CE2-CZ3 3.43Å; Y21-W24 AromaticContact CZ-CZ3 3.94Å; Y21-W24 PolarHBondContact O-N 3.22Å; Y21-K25 HydrophobicContact CE1-CD 4.33Å; Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.48Å; Y21-K25 PolarHBondContact O-N 3.47Å; Y21-G373 VanDerWaalsContact CE2-O 3.3Å; Y21-G373 WeakPolarHBondContact CE2-O 3.45Å; Y21-T375 HydrophobicContact CD2-CG2 3.77Å; Y21-T375 HydrophobicContact CG-CG2 3.86Å
22K90.6Very high90.7Very high104 Ų10475.9 Ų75.945%0.45236%0.36SS..Hα-helixtrans-64.8-37.5175.2-72.5170.3-164.1166.20112.3N18 E19 E20 K26N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.5Å; N18-K22 PolarHBondContact O-N 3.19Å; E19-K22 PolarHBondContact O-N 3.33Å; E19-K22 IonicContact OE1-NZ 3.44Å; E19-K22 PolarHBondContact OE1-NZ 3.46Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.26Å; K22-K26 WeakPolarHBondContact O-CG 3.5Å; K22-K26 PolarHBondContact O-N 2.98Å
23I94.1Very high90.6Very high95 Ų9576 Ų7649%0.48736%0.359SS..Hα-helixtrans-67.9-50.1176.3-66.8166000109.4E19 E20 Y21 K25 K26 N27E19-I23 WeakPolarHBondContact O-CG1 3.18Å; E19-I23 PolarHBondContact O-N 2.85Å; E20-I23 PolarHBondContact O-N 2.94Å; E20-I23 VanDerWaalsContact O-N 3.15Å; Y21-I23 VanDerWaalsContact C-N 3.33Å; Y21-I23 PolarHBondContact O-N 2.79Å; I23-K25 VanDerWaalsContact C-N 3.32Å; I23-K25 PolarHBondContact O-N 3.07Å; I23-K26 WeakPolarHBondContact O-CB 3.44Å; I23-K26 PolarHBondContact O-N 2.96Å; I23-K26 VanDerWaalsContact O-N 3.13Å; I23-N27 PolarHBondContact O-N 3.05Å
24W94.3Very high90.5Very high21 Ų2172.8 Ų72.88%0.0835%0.345CS..Hα-helixtrans-52.4-50.1175169.782.3000111.2E20 Y21 K26 N27 T28 Y32 V35 G373E20-W24 WeakPolarHBondContact O-CB 3.37Å; E20-W24 PolarHBondContact O-N 3.03Å; Y21-W24 AromaticContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CZ3 4.12Å; Y21-W24 AromaticContact CE2-CE3 3.6Å; Y21-W24 HydrophobicContact CE2-CE3 3.6Å; Y21-W24 HydrophobicContact CE2-CH2 4.48Å; Y21-W24 AromaticContact CE2-CZ3 3.43Å; Y21-W24 HydrophobicContact CE2-CZ3 3.43Å; Y21-W24 VanDerWaalsContact CE2-CZ3 3.43Å; Y21-W24 AromaticContact CZ-CZ3 3.94Å; Y21-W24 PolarHBondContact O-N 3.22Å; W24-K26 VanDerWaalsContact C-N 3.26Å; W24-K26 PolarHBondContact O-N 3.41Å; W24-N27 CarbonylContact O-C 3.54Å; W24-N27 WeakPolarHBondContact O-CA 3.47Å; W24-N27 PolarHBondContact O-N 3.15Å; W24-T28 HydrophobicContact CD2-CG2 3.99Å; W24-T28 HydrophobicContact CE3-CG2 4.15Å; W24-T28 HydrophobicContact CH2-CG2 3.83Å; W24-T28 HydrophobicContact CZ2-CG2 3.65Å; W24-T28 HydrophobicContact CZ3-CG2 4.07Å; W24-T28 WeakPolarHBondContact O-CG2 3.23Å; W24-T28 PolarHBondContact O-N 2.98Å; W24-Y32 AromaticContact CE2-CE2 3.93Å; W24-Y32 HydrophobicContact CZ2-CE2 4.03Å; W24-Y32 AromaticContact NE1-CE2 3.4Å; W24-Y32 AromaticContact NE1-CZ 3.53Å; W24-Y32 PolarHBondContact NE1-OH 2.98Å; W24-V35 HydrophobicContact CH2-CG1 4.1Å; W24-V35 HydrophobicContact CZ2-CG1 4.39Å; W24-G373 VanDerWaalsContact CE2-CA 3.41Å; W24-G373 VanDerWaalsContact CZ2-CA 3.42Å
25K85.8Confident90.4Very high66 Ų6669 Ų6929%0.28733%0.33SS..Hα-helixtrans-57.8-37.2-179-168.4170.4-175.7179.70112.6Y21 I23 N27 T28 G103 F105Y21-K25 HydrophobicContact CE1-CD 4.33Å; Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.48Å; Y21-K25 PolarHBondContact O-N 3.47Å; I23-K25 VanDerWaalsContact C-N 3.32Å; I23-K25 PolarHBondContact O-N 3.07Å; K25-N27 VanDerWaalsContact C-N 3.31Å; K25-T28 PolarHBondContact O-OG1 3.1Å; K25-G103 VanDerWaalsContact CE-O 3.32Å; K25-G103 WeakPolarHBondContact CE-O 3.43Å; K25-G103 PolarHBondContact NZ-O 2.82Å; K25-G103 VanDerWaalsContact NZ-O 3.08Å; K25-F105 WeakPolarHBondContact O-CD2 3.45Å
26K89.3Confident90.3Very high129 Ų12961.8 Ų61.856%0.56130%0.304SS*.Hα-helixtrans-69.2-28.6175.4-70.8171.3-175.7174.90113.2K22 I23 W24 F105K22-K26 WeakPolarHBondContact O-CG 3.5Å; K22-K26 PolarHBondContact O-N 2.98Å; I23-K26 WeakPolarHBondContact O-CB 3.44Å; I23-K26 PolarHBondContact O-N 2.96Å; I23-K26 VanDerWaalsContact O-N 3.13Å; W24-K26 VanDerWaalsContact C-N 3.26Å; W24-K26 PolarHBondContact O-N 3.41Å; K26-F105 HydrophobicContact CG-CE2 4.32Å
27N90.2Very high90.2Very high73 Ų7362 Ų6239%0.3931%0.305SS..Hα-helixtrans-89.8-10.7-179-66.7-17.6000112.9I23 W24 K25 P29 F30 L31I23-N27 PolarHBondContact O-N 3.05Å; W24-N27 CarbonylContact O-C 3.54Å; W24-N27 WeakPolarHBondContact O-CA 3.47Å; W24-N27 PolarHBondContact O-N 3.15Å; K25-N27 VanDerWaalsContact C-N 3.31Å; N27-P29 VanDerWaalsContact C-N 3.32Å; N27-P29 VanDerWaalsContact O-N 3.15Å; N27-F30 PolarHBondContact O-N 2.55Å; N27-L31 HydrophobicContact CB-CD1 3.83Å; N27-L31 HydrophobicContact CB-CG 4.37Å; N27-L31 WeakPolarHBondContact O-CG 3.33Å; N27-L31 PolarHBondContact O-N 3.12Å
28T87.2Confident90.1Very high16 Ų1663.7 Ų63.710%0.09831%0.312CS..Hα-helixtrans-49.4-39.8-177.651.90000115.2W24 K25 F30 L31 Y32W24-T28 HydrophobicContact CD2-CG2 3.99Å; W24-T28 HydrophobicContact CE3-CG2 4.15Å; W24-T28 HydrophobicContact CH2-CG2 3.83Å; W24-T28 HydrophobicContact CZ2-CG2 3.65Å; W24-T28 HydrophobicContact CZ3-CG2 4.07Å; W24-T28 WeakPolarHBondContact O-CG2 3.23Å; W24-T28 PolarHBondContact O-N 2.98Å; K25-T28 PolarHBondContact O-OG1 3.1Å; T28-F30 PolarHBondContact O-N 3.19Å; T28-F30 VanDerWaalsContact O-N 3.12Å; T28-L31 PolarHBondContact O-N 3.36Å; T28-L31 VanDerWaalsContact O-N 3.16Å; T28-Y32 HydrophobicContact CG2-CD2 4.09Å; T28-Y32 HydrophobicContact CG2-CE2 4.1Å; T28-Y32 PolarHBondContact O-N 2.96Å; T28-Y32 VanDerWaalsContact O-N 3.15Å
29P85.6Confident90.3Very high62 Ų6263.7 Ų63.740%0.40332%0.322SS..Hα-helixtrans-66.3-15.3180-2236000115.1N27 F105N27-P29 VanDerWaalsContact C-N 3.32Å; N27-P29 VanDerWaalsContact O-N 3.15Å; P29-F105 HydrophobicContact CG-CB 3.92Å; P29-F105 HydrophobicContact CG-CD1 3.71Å; P29-F105 HydrophobicContact CG-CG 4.01Å
30F88.6Confident90.3Very high152 Ų15260 Ų6067%0.66731%0.305SS*.Hα-helixtrans-101.1-15.2179.1-53.6-71.6000112.6N27 T28N27-F30 PolarHBondContact O-N 2.55Å; T28-F30 PolarHBondContact O-N 3.19Å; T28-F30 VanDerWaalsContact O-N 3.12Å
31L91.4Very high90.3Very high54 Ų5463.2 Ų63.228%0.28332%0.32SS..Hα-helixtrans-108.3-19-170.7-65.8177.8000112.9N27 T28 F369 M405 A406N27-L31 HydrophobicContact CB-CD1 3.83Å; N27-L31 HydrophobicContact CB-CG 4.37Å; N27-L31 WeakPolarHBondContact O-CG 3.33Å; N27-L31 PolarHBondContact O-N 3.12Å; T28-L31 PolarHBondContact O-N 3.36Å; T28-L31 VanDerWaalsContact O-N 3.16Å; L31-F369 HydrophobicContact CB-CE2 4.16Å; L31-F369 HydrophobicContact CB-CZ 4.26Å; L31-F369 HydrophobicContact CD2-CE2 4.3Å; L31-M405 WeakPolarHBondContact O-CA 3.32Å; L31-A406 PolarHBondContact O-N 3.16Å
32Y89.5Confident90.6Very high9 Ų963.8 Ų63.84%0.03532%0.322CS..EExtended strand (participates in β ladder)trans-140.1141.1-171.1-56.5-85.1000112.1W24 T28 V35 F369 H371 W403 Q404W24-Y32 AromaticContact CE2-CE2 3.93Å; W24-Y32 HydrophobicContact CZ2-CE2 4.03Å; W24-Y32 AromaticContact NE1-CE2 3.4Å; W24-Y32 AromaticContact NE1-CZ 3.53Å; W24-Y32 PolarHBondContact NE1-OH 2.98Å; T28-Y32 HydrophobicContact CG2-CD2 4.09Å; T28-Y32 HydrophobicContact CG2-CE2 4.1Å; T28-Y32 PolarHBondContact O-N 2.96Å; T28-Y32 VanDerWaalsContact O-N 3.15Å; Y32-V35 VanDerWaalsContact CB-CG2 3.41Å; Y32-V35 HydrophobicContact CD1-CG2 3.92Å; Y32-V35 HydrophobicContact CD2-CG2 3.64Å; Y32-V35 HydrophobicContact CE2-CG2 4.39Å; Y32-V35 HydrophobicContact CG-CG2 3.38Å; Y32-F369 HydrophobicContact CD1-CE1 4.49Å; Y32-F369 HydrophobicContact CD1-CZ 4.11Å; Y32-F369 AromaticContact CE1-CE1 3.56Å; Y32-F369 HydrophobicContact CE1-CE1 3.56Å; Y32-F369 AromaticContact CE1-CZ 3.39Å; Y32-F369 HydrophobicContact CE1-CZ 3.39Å; Y32-F369 HydrophobicContact CE2-CZ 4.23Å; Y32-F369 AromaticContact CZ-CE1 3.84Å; Y32-F369 AromaticContact CZ-CZ 3.45Å; Y32-F369 VanDerWaalsContact CZ-CZ 3.45Å; Y32-F369 WeakPolarHBondContact OH-CZ 3.32Å; Y32-H371 AromaticContact CE1-ND1 3.67Å; Y32-H371 AromaticContact CZ-ND1 3.72Å; Y32-H371 PolarHBondContact OH-ND1 2.71Å; Y32-H371 VanDerWaalsContact OH-ND1 3.17Å; Y32-W403 HydrophobicContact CD1-CB 4.32Å; Y32-W403 AromaticContact CD1-CE3 3.95Å; Y32-W403 HydrophobicContact CD1-CE3 3.95Å; Y32-W403 HydrophobicContact CE1-CB 4.47Å; Y32-W403 HydrophobicContact CE1-CD2 4.18Å; Y32-W403 AromaticContact CE1-CE3 3.59Å; Y32-W403 HydrophobicContact CE1-CE3 3.59Å; Y32-W403 HydrophobicContact CE1-CZ3 4.17Å; Y32-Q404 VanDerWaalsContact CA-O 3.23Å; Y32-Q404 WeakPolarHBondContact CA-O 3.46Å; Y32-Q404 WeakPolarHBondContact CB-O 3.42Å; Y32-Q404 WeakPolarHBondContact CD1-O 3.41Å
33D87.4Confident90.9Very high61 Ų6159.6 Ų59.633%0.32631%0.305SS..EExtended strand (participates in β ladder)trans-85.4-26.2165.5-65.7-29.5000111.1Q404 A406 E407D33-Q404 PolarHBondContact N-O 2.74Å; D33-A406 WeakPolarHBondContact OD2-CA 3.31Å; D33-E407 PolarHBondContact OD2-N 2.9Å
34L86.9Confident91.1Very high19 Ų1955 Ų5510%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-139.6131.5177.8-178.968.2000111.1M36 L86 P87 V402 W403 Q404L34-M36 HydrophobicContact CD1-CG 3.9Å; L34-M36 HydrophobicContact CD1-SD 4.06Å; L34-M36 HydrophobicContact CD2-SD 4.37Å; L34-M36 HydrophobicContact CG-CG 4.35Å; L34-L86 HydrophobicContact CD2-CD2 3.78Å; L34-P87 HydrophobicContact CD1-CG 4.46Å; L34-V402 HydrophobicContact CD2-CG1 4.42Å; L34-W403 CarbonylContact O-C 3.6Å; L34-W403 WeakPolarHBondContact O-CA 3.31Å; L34-W403 WeakPolarHBondContact O-CB 3.45Å; L34-Q404 HydrophobicContact CB-CB 3.79Å; L34-Q404 PolarHBondContact N-O 3.34Å; L34-Q404 PolarHBondContact O-N 2.84Å
35V88.4Confident91.3Very high40 Ų4055.1 Ų55.124%0.24228%0.284CS..EExtended strand (participates in β ladder)trans-139.9118.6164.3-1750000109.4W24 Y32W24-V35 HydrophobicContact CH2-CG1 4.1Å; W24-V35 HydrophobicContact CZ2-CG1 4.39Å; Y32-V35 VanDerWaalsContact CB-CG2 3.41Å; Y32-V35 HydrophobicContact CD1-CG2 3.92Å; Y32-V35 HydrophobicContact CD2-CG2 3.64Å; Y32-V35 HydrophobicContact CE2-CG2 4.39Å; Y32-V35 HydrophobicContact CG-CG2 3.38Å
36M88.5Confident92Very high17 Ų1752 Ų528%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-121.5110.2173.7-63.7171.751.800108.6L34 V84 L86 G113 I115 Q401 V402L34-M36 HydrophobicContact CD1-CG 3.9Å; L34-M36 HydrophobicContact CD1-SD 4.06Å; L34-M36 HydrophobicContact CD2-SD 4.37Å; L34-M36 HydrophobicContact CG-CG 4.35Å; M36-V84 HydrophobicContact CE-CG1 3.7Å; M36-V84 HydrophobicContact SD-CG1 4.41Å; M36-L86 HydrophobicContact SD-CD2 4.12Å; M36-G113 VanDerWaalsContact CE-CA 3.47Å; M36-G113 WeakPolarHBondContact CE-O 3.32Å; M36-I115 HydrophobicContact CE-CD1 3.87Å; M36-I115 HydrophobicContact CE-CG1 3.91Å; M36-Q401 CarbonylContact O-C 3.59Å; M36-Q401 VanDerWaalsContact O-CA 3.28Å; M36-Q401 WeakPolarHBondContact O-CA 3.18Å; M36-V402 HydrophobicContact CB-CB 4.2Å; M36-V402 WeakPolarHBondContact CB-O 3.35Å; M36-V402 PolarHBondContact N-O 3.12Å; M36-V402 PolarHBondContact O-N 2.94Å; M36-V402 HydrophobicContact SD-CB 4.48Å
37T91.4Very high92.4Very high69 Ų6945.9 Ų45.942%0.42324%0.244SC..EExtended strand (participates in β ladder)trans-101127.9174.7-53.70000110I399 Q401T37-I399 HydrophobicContact CG2-CG2 3.92Å; T37-Q401 HydrophobicContact CG2-CG 4.29Å
38H91.6Very high92.8Very high61 Ų6144.1 Ų44.128%0.28223%0.233SC..EExtended strand (participates in β ladder)trans-131.9124.3178.5-173.179.9000110.4L40 I115 M400H38-L40 PolarHBondContact O-N 3.3Å; H38-I115 HydrophobicContact CB-CD1 3.52Å; H38-M400 HydrophobicContact CB-CE 4.3Å; H38-M400 PolarHBondContact N-O 3.38Å; H38-M400 PolarHBondContact O-N 2.85Å
39A94.8Very high93.4Very high70 Ų7043.5 Ų43.558%0.57923%0.229SC*.EExtended strand (participates in β ladder)trans-82.3111.7171.700000109I399A39-I399 HydrophobicContact CB-CD1 4.29Å
40L94.9Very high94Very high20 Ų2040.5 Ų40.511%0.10521%0.21CC..  trans-70.5156.4174.1-63.5169.6000110.5H38 W42 L68 N398 M400H38-L40 PolarHBondContact O-N 3.3Å; L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 WeakPolarHBondContact CB-O 3.44Å; L40-W42 PolarHBondContact O-N 3.13Å; L40-L68 HydrophobicContact CD2-CD1 4.34Å; L40-N398 WeakPolarHBondContact CB-O 3.45Å; L40-N398 PolarHBondContact N-O 3.47Å; L40-N398 WeakPolarHBondContact O-CB 3.48Å; L40-N398 PolarHBondContact O-ND2 3.22Å; L40-M400 HydrophobicContact CD1-CB 3.99Å; L40-M400 HydrophobicContact CD2-CB 4.45Å; L40-M400 HydrophobicContact CD2-SD 4.49Å; L40-M400 HydrophobicContact CG-CB 4.05Å
41E94.5Very high94.5Very high129 Ų12935.3 Ų35.360%0.60319%0.191SC*.SBendtrans-60.6-40.9172.4-173177.6-167.300111.3K120 N398E41-K120 IonicContact OE2-NZ 2.92Å; E41-K120 PolarHBondContact OE2-NZ 3Å; E41-N398 PolarHBondContact O-ND2 2.83Å; E41-N398 VanDerWaalsContact O-ND2 3.08Å
42W96.8Very high94.7Very high73 Ų7335.2 Ų35.228%0.27719%0.191SC..SBendtrans-135.3150.7177.6-67112000110L40 T70 T72 E75 N398L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 WeakPolarHBondContact CB-O 3.44Å; L40-W42 PolarHBondContact O-N 3.13Å; W42-T70 HydrophobicContact CB-CG2 4.22Å; W42-T72 HydrophobicContact CB-CG2 3.89Å; W42-T72 HydrophobicContact CD2-CG2 3.45Å; W42-T72 VanDerWaalsContact CD2-CG2 3.45Å; W42-T72 HydrophobicContact CE3-CG2 3.97Å; W42-T72 HydrophobicContact CG-CG2 3.36Å; W42-E75 HydrophobicContact CZ2-CB 4.46Å; W42-E75 HydrophobicContact CZ2-CG 3.97Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.45Å; W42-E75 PolarHBondContact NE1-OE2 3Å; W42-E75 VanDerWaalsContact NE1-OE2 3.16Å; W42-N398 VanDerWaalsContact CA-ND2 3.3Å; W42-N398 WeakPolarHBondContact CA-ND2 3.44Å
43P97.8Very high95Very high15 Ų1536.7 Ų36.710%0.09720%0.201CC..  trans-57.2148.6173.4-19.731.4000111.3T70 H71 E396 N398P43-T70 CarbonylContact O-C 3.59Å; P43-T70 WeakPolarHBondContact O-CA 3.48Å; P43-H71 PolarHBondContact O-N 2.83Å; P43-E396 VanDerWaalsContact CG-O 3.24Å; P43-E396 WeakPolarHBondContact CG-O 3.47Å; P43-N398 WeakPolarHBondContact CD-ND2 3.48Å; P43-N398 WeakPolarHBondContact CG-OD1 3.35Å
44S98.7Very high95.5Very high0 Ų037.8 Ų37.80%021%0.21CC..  trans-112.1126.2172.2-172.20000109.3T46 G69 V394S44-T46 PolarHBondContact O-N 2.89Å; S44-T46 PolarHBondContact OG-N 2.78Å; S44-T46 PolarHBondContact OG-O 3.21Å; S44-G69 WeakPolarHBondContact CA-O 3.5Å; S44-G69 VanDerWaalsContact CB-O 3.25Å; S44-G69 WeakPolarHBondContact CB-O 3.33Å; S44-G69 PolarHBondContact OG-N 3.21Å; S44-G69 PolarHBondContact OG-O 2.89Å; S44-G69 VanDerWaalsContact OG-O 3.12Å; S44-V394 VanDerWaalsContact O-CG2 3.23Å; S44-V394 WeakPolarHBondContact O-CG2 3.3Å
45L98.8Very high95.8Very high22 Ų2242.9 Ų42.912%0.11523%0.228CC..SBendtrans-80.4-3.5171.9-63.7174.9000112.5H71 E126L45-H71 HydrophobicContact CD1-CB 4.09Å; L45-H71 HydrophobicContact CG-CB 3.93Å; L45-E126 HydrophobicContact CD1-CG 4.26Å
46T98.9Very high96Very high0 Ų043.1 Ų43.10%023%0.23CC..  trans-143.8144.6-173.2-161.40000112.7S44 V127 A130 R131 D380S44-T46 PolarHBondContact O-N 2.89Å; S44-T46 PolarHBondContact OG-N 2.78Å; S44-T46 PolarHBondContact OG-O 3.21Å; T46-V127 HydrophobicContact CG2-CG1 4.08Å; T46-A130 HydrophobicContact CG2-CB 3.77Å; T46-A130 PolarHBondContact OG1-N 2.75Å; T46-R131 PolarHBondContact OG1-NH1 3.38Å; T46-D380 WeakPolarHBondContact CA-OD2 3.33Å; T46-D380 PolarHBondContact OG1-OD2 3.39Å
47A98.8Very high96.2Very high1 Ų151.8 Ų51.81%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-145129.8172.500000109.6V67 L68 D380 V394A47-V67 WeakPolarHBondContact CA-O 3.35Å; A47-L68 HydrophobicContact CB-CD2 4.11Å; A47-D380 PolarHBondContact N-OD2 3.14Å; A47-V394 HydrophobicContact CB-CG1 4.18Å; A47-V394 HydrophobicContact CB-CG2 3.99Å
48Q98.9Very high96Very high37 Ų3752.7 Ų52.717%0.17329%0.293CS..EExtended strand (participates in β ladder)trans-148127.5170.7-165.7-178.835.300111L50 L66 V67 R131 Y132Q48-L50 PolarHBondContact O-N 3.13Å; Q48-L66 CarbonylContact O-C 3.49Å; Q48-L66 WeakPolarHBondContact O-CA 3.19Å; Q48-V67 HydrophobicContact CB-CB 4.5Å; Q48-V67 PolarHBondContact N-O 3.39Å; Q48-V67 PolarHBondContact O-N 3.03Å; Q48-R131 VanDerWaalsContact OE1-CA 3.24Å; Q48-Y132 VanDerWaalsContact CD-CE1 3.49Å; Q48-Y132 HydrophobicContact CG-CD1 4.06Å; Q48-Y132 HydrophobicContact CG-CE1 3.98Å
49W98.9Very high95.9Very high2 Ų255 Ų551%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-64.9132.1169.8-69.999.6000110.9H64 L66 V84 L86 Y132 S382 W383 N384 P385 V390 C392 V402W49-H64 HydrophobicContact CE3-CB 3.81Å; W49-H64 HydrophobicContact CH2-CB 4.34Å; W49-H64 HydrophobicContact CZ3-CB 3.37Å; W49-L66 HydrophobicContact CB-CD2 4.42Å; W49-L66 HydrophobicContact CD2-CD2 3.49Å; W49-L66 VanDerWaalsContact CD2-CD2 3.49Å; W49-L66 HydrophobicContact CD2-CG 4.06Å; W49-L66 HydrophobicContact CE3-CD2 3.74Å; W49-L66 HydrophobicContact CE3-CG 3.76Å; W49-L66 HydrophobicContact CG-CD2 3.78Å; W49-L66 HydrophobicContact CH2-CD1 4.23Å; W49-L66 HydrophobicContact CH2-CD2 4.48Å; W49-L66 HydrophobicContact CH2-CG 4.25Å; W49-L66 HydrophobicContact CZ2-CD1 4.49Å; W49-L66 HydrophobicContact CZ2-CD2 4.29Å; W49-L66 HydrophobicContact CZ3-CD1 4.25Å; W49-L66 HydrophobicContact CZ3-CD2 4.2Å; W49-L66 HydrophobicContact CZ3-CG 3.83Å; W49-V84 HydrophobicContact CH2-CB 4.01Å; W49-V84 HydrophobicContact CH2-CG1 4.17Å; W49-V84 HydrophobicContact CH2-CG2 3.97Å; W49-V84 HydrophobicContact CZ3-CB 4.02Å; W49-V84 HydrophobicContact CZ3-CG2 3.94Å; W49-L86 HydrophobicContact CH2-CD1 4.12Å; W49-Y132 WeakPolarHBondContact O-CE1 3.34Å; W49-S382 VanDerWaalsContact CD1-O 3.26Å; W49-S382 PolarHBondContact N-OG 3.15Å; W49-S382 VanDerWaalsContact N-OG 3.17Å; W49-S382 PolarHBondContact NE1-O 2.59Å; W49-S382 VanDerWaalsContact NE1-O 3.09Å; W49-W383 VanDerWaalsContact CD1-O 3.23Å; W49-N384 VanDerWaalsContact CD1-CA 3.42Å; W49-N384 HydrophobicContact CD2-CB 4.22Å; W49-N384 HydrophobicContact CG-CB 4.27Å; W49-N384 HydrophobicContact CZ2-CB 4.46Å; W49-P385 HydrophobicContact CB-CG 4.39Å; W49-V390 HydrophobicContact CZ2-CG1 4.21Å; W49-C392 HydrophobicContact CZ2-CB 3.81Å; W49-V402 HydrophobicContact CH2-CG1 4.09Å; W49-V402 HydrophobicContact CH2-CG2 4.33Å; W49-V402 HydrophobicContact CZ2-CG1 3.88Å; W49-V402 HydrophobicContact CZ2-CG2 4.26Å
50L98.8Very high95.4Very high0 Ų054.9 Ų54.90%029%0.292CS..EExtended strand (participates in β ladder)trans-71.8146.3162.2-73.9176.5000109.3Q48 D52 R65 V67 I81 Y132 P137 Y154Q48-L50 PolarHBondContact O-N 3.13Å; L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 2.66Å; L50-R65 HydrophobicContact CB-CB 4.16Å; L50-R65 HydrophobicContact CD1-CB 3.89Å; L50-R65 HydrophobicContact CG-CB 4.45Å; L50-R65 PolarHBondContact N-O 2.81Å; L50-V67 HydrophobicContact CD1-CG2 4.39Å; L50-V67 HydrophobicContact CD2-CG2 3.74Å; L50-V67 HydrophobicContact CG-CG2 3.83Å; L50-I81 HydrophobicContact CD1-CG2 4.15Å; L50-Y132 HydrophobicContact CD2-CD1 4.04Å; L50-Y132 HydrophobicContact CD2-CG 4.04Å; L50-P137 HydrophobicContact CD2-CB 4.22Å; L50-Y154 HydrophobicContact CD1-CE1 4.42Å
51P98.1Very high95.1Very high43 Ų4356 Ų5628%0.27930%0.295SS..EExtended strand (participates in β ladder)trans-77.3-17.8-173.131.1-35.4000113Y132 P137 N386P51-Y132 HydrophobicContact CG-CE2 3.89Å; P51-P137 HydrophobicContact CG-CB 3.95Å; P51-P137 HydrophobicContact CG-CG 3.51Å; P51-N386 PolarHBondContact O-ND2 3.49Å
52D96.1Very high95.1Very high52 Ų5249.9 Ų49.928%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-78.3142.5-179.861.2-81.7000112.9L50 R65L50-D52 VanDerWaalsContact C-N 3.31Å; L50-D52 PolarHBondContact O-N 2.66Å; D52-R65 IonicContact OD1-CZ 3.22Å; D52-R65 IonicContact OD1-NE 2.93Å; D52-R65 IonicContact OD1-NH2 2.66Å; D52-R65 PolarHBondContact OD1-NH2 2.86Å; D52-R65 IonicContact OD2-CZ 2.78Å; D52-R65 IonicContact OD2-NE 2.73Å; D52-R65 PolarHBondContact OD2-NE 2.82Å; D52-R65 IonicContact OD2-NH2 3.29Å; D52-R65 PolarHBondContact OD2-NH2 2.74Å
53V96.9Very high95Very high39 Ų3947.7 Ų47.724%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-132.8133.9177.6-174.30000109R55 H64 N386V53-R55 HydrophobicContact CG1-CG 4.22Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.41Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.27Å; V53-H64 WeakPolarHBondContact CG2-ND1 3.18Å; V53-N386 HydrophobicContact CG2-CB 3.65Å; V53-N386 WeakPolarHBondContact CG2-ND2 3.4Å
54T96.6Very high95Very high85 Ų8547 Ų4752%0.52126%0.257SS..EExtended strand (participates in β ladder)trans-108125172.8-58.30000109.5P56 V63T54-P56 WeakPolarHBondContact O-CD 3.4Å; T54-V63 PolarHBondContact N-O 2.73Å; T54-V63 PolarHBondContact O-N 3.09Å
55R94.6Very high95Very high126 Ų12648.8 Ų48.848%0.47526%0.264SS..  trans-111.997.7176.8-59.2-169.5-171.2-89.10.3109.7V53 N88 E387V53-R55 HydrophobicContact CG1-CG 4.22Å; R55-N88 PolarHBondContact NH1-OD1 2.96Å; R55-N88 VanDerWaalsContact NH1-OD1 3.11Å; R55-E387 IonicContact CZ-OE1 3.35Å; R55-E387 IonicContact NH1-OE1 3.01Å; R55-E387 PolarHBondContact NH1-OE1 2.93Å; R55-E387 IonicContact NH2-OE1 2.72Å; R55-E387 PolarHBondContact NH2-OE1 2.93Å
56P92.2Very high95Very high44 Ų4447.7 Ų47.729%0.28626%0.258SS..  trans-65.4134.1-179.4-17.931.2000111.5T54 G58 K59 Y61T54-P56 WeakPolarHBondContact O-CD 3.4Å; P56-G58 PolarHBondContact O-N 2.79Å; P56-K59 HydrophobicContact CB-CB 4.2Å; P56-K59 HydrophobicContact CB-CG 3.78Å; P56-K59 HydrophobicContact CG-CG 4.43Å; P56-K59 PolarHBondContact O-N 3.04Å; P56-Y61 HydrophobicContact CG-CE2 4.26Å
57E92.4Very high95Very high199 Ų19947.7 Ų47.793%0.9326%0.258SS*.THydrogen-bonded Turntrans-59131-179.7-68.7-176.2-178.800112K59E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 2.87Å
58G88.2Confident95Very high88 Ų8847.8 Ų47.891%0.90726%0.258SS*.THydrogen-bonded Turntrans73.714.4178.500000114.9P56P56-G58 PolarHBondContact O-N 2.79Å
59K88Confident95Very high110 Ų11046.2 Ų46.248%0.47825%0.252SS..  trans-104.6148170.5-61.9-57.5-170.4175.40110.9P56 E57 Y61 N88P56-K59 HydrophobicContact CB-CB 4.2Å; P56-K59 HydrophobicContact CB-CG 3.78Å; P56-K59 HydrophobicContact CG-CG 4.43Å; P56-K59 PolarHBondContact O-N 3.04Å; E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 2.87Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 HydrophobicContact CB-CD1 3.97Å; K59-Y61 HydrophobicContact CB-CE1 3.81Å; K59-Y61 HydrophobicContact CD-CE1 3.88Å; K59-Y61 HydrophobicContact CG-CE1 3.89Å; K59-N88 PolarHBondContact O-ND2 2.74Å
60D85.1Confident95Very high67 Ų6746.6 Ų46.636%0.35825%0.254SS..SBendtrans-87.110176.855.3-13.6000113.1N88 A91D60-N88 PolarHBondContact O-N 3.05Å; D60-A91 HydrophobicContact CB-CB 4.44Å
61Y88.6Confident94.9Very high44 Ų4450.3 Ų50.317%0.17327%0.272CS..EExtended strand (participates in β ladder)trans-134.6154.3178.267.4-93.5000111.8P56 K59 V63 Q85 L86 N88P56-Y61 HydrophobicContact CG-CE2 4.26Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 HydrophobicContact CB-CD1 3.97Å; K59-Y61 HydrophobicContact CB-CE1 3.81Å; K59-Y61 HydrophobicContact CD-CE1 3.88Å; K59-Y61 HydrophobicContact CG-CE1 3.89Å; Y61-V63 HydrophobicContact CD2-CG2 4.17Å; Y61-V63 HydrophobicContact CE2-CG2 3.87Å; Y61-Q85 HydrophobicContact CD2-CB 3.95Å; Y61-Q85 HydrophobicContact CD2-CG 3.87Å; Y61-Q85 HydrophobicContact CE2-CG 3.95Å; Y61-Q85 HydrophobicContact CG-CB 4.39Å; Y61-L86 CarbonylContact C-O 3.57Å; Y61-L86 WeakPolarHBondContact CA-O 3.4Å; Y61-L86 WeakPolarHBondContact CB-O 3.46Å; Y61-N88 PolarHBondContact N-ND2 3.21Å
62S93.1Very high94.6Very high0 Ų048.5 Ų48.50%026%0.26CS..EExtended strand (participates in β ladder)trans-104154.4165.953.70000110.2H64 Q85 L86 N88S62-H64 PolarHBondContact OG-CD2 2.92Å; S62-H64 PolarHBondContact OG-NE2 2.9Å; S62-Q85 CarbonylContact O-C 3.45Å; S62-Q85 WeakPolarHBondContact O-CA 3.48Å; S62-L86 PolarHBondContact N-O 2.98Å; S62-L86 PolarHBondContact O-N 3.44Å; S62-L86 PolarHBondContact OG-O 3.19Å; S62-N88 PolarHBondContact N-OD1 3.26Å
63V96.3Very high94Very high28 Ų2851.4 Ų51.417%0.1728%0.284CS..EExtended strand (participates in β ladder)trans-106.6113.4173.8-1740000108.1T54 Y61 Q85T54-V63 PolarHBondContact N-O 2.73Å; T54-V63 PolarHBondContact O-N 3.09Å; Y61-V63 HydrophobicContact CD2-CG2 4.17Å; Y61-V63 HydrophobicContact CE2-CG2 3.87Å; V63-Q85 HydrophobicContact CG2-CG 4.4Å
64H98Very high93.3Very high0 Ų057.6 Ų57.60%032%0.316CS..EExtended strand (participates in β ladder)trans-103.5163.4173.4-65.2-108.1000109.2W49 V53 S62 S83 V84 L86 N384 E387W49-H64 HydrophobicContact CE3-CB 3.81Å; W49-H64 HydrophobicContact CH2-CB 4.34Å; W49-H64 HydrophobicContact CZ3-CB 3.37Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.41Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.27Å; V53-H64 WeakPolarHBondContact CG2-ND1 3.18Å; S62-H64 PolarHBondContact OG-CD2 2.92Å; S62-H64 PolarHBondContact OG-NE2 2.9Å; H64-S83 CarbonylContact O-C 3.56Å; H64-S83 WeakPolarHBondContact O-CA 3.47Å; H64-V84 PolarHBondContact N-O 2.84Å; H64-V84 PolarHBondContact O-N 2.84Å; H64-L86 HydrophobicContact CB-CD1 4.43Å; H64-N384 PolarHBondContact ND1-ND2 2.76Å; H64-E387 VanDerWaalsContact CE1-CG 3.5Å; H64-E387 WeakPolarHBondContact CE1-CG 3.41Å; H64-E387 IonicContact CE1-OE1 3.62Å; H64-E387 IonicContact NE2-OE1 2.85Å
65R98.5Very high93Very high37 Ų3758.8 Ų58.814%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-130.2148.4178.2-62.8-172.3-63.8151.75112.2L50 D52 I81 A82 E118 Y154L50-R65 HydrophobicContact CB-CB 4.16Å; L50-R65 HydrophobicContact CD1-CB 3.89Å; L50-R65 HydrophobicContact CG-CB 4.45Å; L50-R65 PolarHBondContact N-O 2.81Å; D52-R65 IonicContact OD1-CZ 3.22Å; D52-R65 IonicContact OD1-NE 2.93Å; D52-R65 IonicContact OD1-NH2 2.66Å; D52-R65 PolarHBondContact OD1-NH2 2.86Å; D52-R65 IonicContact OD2-CZ 2.78Å; D52-R65 IonicContact OD2-NE 2.73Å; D52-R65 PolarHBondContact OD2-NE 2.82Å; D52-R65 IonicContact OD2-NH2 3.29Å; D52-R65 PolarHBondContact OD2-NH2 2.74Å; R65-I81 HydrophobicContact CB-CG2 4.38Å; R65-A82 CarbonylContact C-O 3.55Å; R65-A82 WeakPolarHBondContact CA-O 3.48Å; R65-E118 WeakPolarHBondContact CD-OE2 3.49Å; R65-E118 IonicContact NH1-OE2 3.88Å; R65-Y154 PolarHBondContact NH1-OH 3.07Å; R65-Y154 PolarHBondContact NH2-OH 3.16Å
66L98.6Very high93Very high0 Ų056 Ų560%031%0.308CS..EExtended strand (participates in β ladder)trans-120.4140.9178.6-77.3165000110Q48 W49 L68 I81 A82 V84 C392 M400Q48-L66 CarbonylContact O-C 3.49Å; Q48-L66 WeakPolarHBondContact O-CA 3.19Å; W49-L66 HydrophobicContact CB-CD2 4.42Å; W49-L66 HydrophobicContact CD2-CD2 3.49Å; W49-L66 VanDerWaalsContact CD2-CD2 3.49Å; W49-L66 HydrophobicContact CD2-CG 4.06Å; W49-L66 HydrophobicContact CE3-CD2 3.74Å; W49-L66 HydrophobicContact CE3-CG 3.76Å; W49-L66 HydrophobicContact CG-CD2 3.78Å; W49-L66 HydrophobicContact CH2-CD1 4.23Å; W49-L66 HydrophobicContact CH2-CD2 4.48Å; W49-L66 HydrophobicContact CH2-CG 4.25Å; W49-L66 HydrophobicContact CZ2-CD1 4.49Å; W49-L66 HydrophobicContact CZ2-CD2 4.29Å; W49-L66 HydrophobicContact CZ3-CD1 4.25Å; W49-L66 HydrophobicContact CZ3-CD2 4.2Å; W49-L66 HydrophobicContact CZ3-CG 3.83Å; L66-L68 HydrophobicContact CB-CD2 4.46Å; L66-L68 HydrophobicContact CB-CG 4.2Å; L66-I81 VanDerWaalsContact O-CA 3.31Å; L66-I81 WeakPolarHBondContact O-CA 3.48Å; L66-A82 PolarHBondContact N-O 3.37Å; L66-A82 PolarHBondContact O-N 2.99Å; L66-V84 HydrophobicContact CD1-CG2 3.59Å; L66-V84 HydrophobicContact CG-CG2 4.19Å; L66-C392 HydrophobicContact CD1-CB 4.2Å; L66-C392 VanDerWaalsContact CD1-SG 3.54Å; L66-C392 HydrophobicContact CD2-CB 3.85Å; L66-M400 HydrophobicContact CD1-CE 4.4Å; L66-M400 HydrophobicContact CD1-SD 3.94Å
67V98.8Very high93.2Very high0 Ų054.4 Ų54.40%030%0.297CS..EExtended strand (participates in β ladder)trans-91.3122.8161.8-174.20000107.9A47 Q48 L50 L79 A130 I140A47-V67 WeakPolarHBondContact CA-O 3.35Å; Q48-V67 HydrophobicContact CB-CB 4.5Å; Q48-V67 PolarHBondContact N-O 3.39Å; Q48-V67 PolarHBondContact O-N 3.03Å; L50-V67 HydrophobicContact CD1-CG2 4.39Å; L50-V67 HydrophobicContact CD2-CG2 3.74Å; L50-V67 HydrophobicContact CG-CG2 3.83Å; V67-L79 HydrophobicContact CG1-CD1 3.84Å; V67-A130 HydrophobicContact CG1-CB 3.61Å; V67-I140 HydrophobicContact CG1-CD1 3.99Å; V67-I140 HydrophobicContact CG1-CG2 4.09Å; V67-I140 HydrophobicContact CG2-CD1 3.76Å; V67-I140 HydrophobicContact CG2-CG1 4.49Å
68L98.9Very high93.5Very high3 Ų346.2 Ų46.22%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-129.8166.1-179.9-60.8172.6000109.9L40 A47 L66 V80 A82 V394 M400L40-L68 HydrophobicContact CD2-CD1 4.34Å; A47-L68 HydrophobicContact CB-CD2 4.11Å; L66-L68 HydrophobicContact CB-CD2 4.46Å; L66-L68 HydrophobicContact CB-CG 4.2Å; L68-V80 HydrophobicContact CB-CB 4.11Å; L68-V80 HydrophobicContact CB-CG1 4.49Å; L68-V80 PolarHBondContact N-O 3.24Å; L68-V80 PolarHBondContact O-N 2.85Å; L68-A82 HydrophobicContact CD1-CB 4Å; L68-V394 HydrophobicContact CD2-CG1 4.19Å; L68-M400 HydrophobicContact CD1-SD 3.79Å; L68-M400 HydrophobicContact CD2-SD 4.14Å
69G98.4Very high93.9Very high4 Ų442 Ų424%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-124.3174.5173.600000111.5S44S44-G69 WeakPolarHBondContact CA-O 3.5Å; S44-G69 VanDerWaalsContact CB-O 3.25Å; S44-G69 WeakPolarHBondContact CB-O 3.33Å; S44-G69 PolarHBondContact OG-N 3.21Å; S44-G69 PolarHBondContact OG-O 2.89Å; S44-G69 VanDerWaalsContact OG-O 3.12Å
70T98.1Very high94.4Very high9 Ų937.1 Ų37.16%0.05520%0.195CC..  trans-116.6150.3164.263.60000110W42 P43 N77 H78 V80 E126 V127W42-T70 HydrophobicContact CB-CG2 4.22Å; P43-T70 CarbonylContact O-C 3.59Å; P43-T70 WeakPolarHBondContact O-CA 3.48Å; T70-N77 VanDerWaalsContact C-OD1 3.26Å; T70-N77 PolarHBondContact O-OD1 3.03Å; T70-N77 WeakPolarHBondContact OG1-CA 3.41Å; T70-N77 WeakPolarHBondContact OG1-CB 3.45Å; T70-N77 PolarHBondContact OG1-OD1 2.94Å; T70-H78 HydrophobicContact CG2-CB 4.21Å; T70-H78 PolarHBondContact N-O 2.94Å; T70-H78 PolarHBondContact OG1-N 3.09Å; T70-V80 HydrophobicContact CG2-CG2 4.1Å; T70-E126 WeakPolarHBondContact O-CA 3.38Å; T70-E126 WeakPolarHBondContact O-CB 3.15Å; T70-V127 PolarHBondContact O-N 3.35Å
71H96.5Very high95.1Very high79 Ų7934 Ų3437%0.36618%0.178SC..  trans-128.897.9169.1178.9-162000108.7P43 L45 E126P43-H71 PolarHBondContact O-N 2.83Å; L45-H71 HydrophobicContact CD1-CB 4.09Å; L45-H71 HydrophobicContact CG-CB 3.93Å; H71-E126 HydrophobicContact CB-CB 4.16Å
72T92.8Very high95.5Very high5 Ų531.9 Ų31.93%0.03117%0.17CC..  trans-117.9148.8-176.1760000110.7W42 E75 N77W42-T72 HydrophobicContact CB-CG2 3.89Å; W42-T72 HydrophobicContact CD2-CG2 3.45Å; W42-T72 VanDerWaalsContact CD2-CG2 3.45Å; W42-T72 HydrophobicContact CE3-CG2 3.97Å; W42-T72 HydrophobicContact CG-CG2 3.36Å; T72-E75 HydrophobicContact CG2-CB 4.31Å; T72-E75 PolarHBondContact OG1-N 3.13Å; T72-E75 PolarHBondContact OG1-O 2.89Å; T72-N77 PolarHBondContact N-OD1 3.07Å; T72-N77 PolarHBondContact OG1-ND2 3.45Å; T72-N77 PolarHBondContact OG1-OD1 2.79Å
73S82.9Confident95.7Very high113 Ų11332.2 Ų32.279%0.7917%0.172SC*.SBendtrans-74.9-45179.1-49.40000114
74D82.4Confident95.7Very high168 Ų16830.9 Ų30.990%0.89816%0.164SC*.SBendtrans-139.47.1-174.2-69.5-50.7000113.4
75E90.9Very high95.5Very high111 Ų11132.6 Ų32.652%0.51917%0.172SC..SBendtrans-97.5168179.7-66.8-158.9179.600112.4W42 T72 N77W42-E75 HydrophobicContact CZ2-CB 4.46Å; W42-E75 HydrophobicContact CZ2-CG 3.97Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.45Å; W42-E75 PolarHBondContact NE1-OE2 3Å; W42-E75 VanDerWaalsContact NE1-OE2 3.16Å; T72-E75 HydrophobicContact CG2-CB 4.31Å; T72-E75 PolarHBondContact OG1-N 3.13Å; T72-E75 PolarHBondContact OG1-O 2.89Å; E75-N77 PolarHBondContact O-N 3.03Å
76Q94.2Very high95.2Very high68 Ų6831 Ų3132%0.31817%0.166SC..PPolyproline II helixtrans-66.9119.4173.8179.755.958.300109.1H78 H123 G166Q76-H78 PolarHBondContact O-CE1 3.04Å; Q76-H78 PolarHBondContact O-ND1 2.9Å; Q76-H123 PolarHBondContact NE2-O 2.89Å; Q76-G166 PolarHBondContact OE1-O 3.47Å; Q76-G166 VanDerWaalsContact OE1-O 3.05Å
77N96.6Very high94.5Very high10 Ų1033 Ų335%0.05318%0.179CC..PPolyproline II helixtrans-79.2154.4174.4-80.8-73.1000111.8T70 T72 E75 H123 G125 E126T70-N77 VanDerWaalsContact C-OD1 3.26Å; T70-N77 PolarHBondContact O-OD1 3.03Å; T70-N77 WeakPolarHBondContact OG1-CA 3.41Å; T70-N77 WeakPolarHBondContact OG1-CB 3.45Å; T70-N77 PolarHBondContact OG1-OD1 2.94Å; T72-N77 PolarHBondContact N-OD1 3.07Å; T72-N77 PolarHBondContact OG1-ND2 3.45Å; T72-N77 PolarHBondContact OG1-OD1 2.79Å; E75-N77 PolarHBondContact O-N 3.03Å; N77-H123 PolarHBondContact O-N 3.17Å; N77-G125 VanDerWaalsContact CB-C 3.49Å; N77-G125 WeakPolarHBondContact CB-O 3.49Å; N77-E126 PolarHBondContact ND2-N 2.78Å
78H97.7Very high93.7Very high26 Ų2634 Ų3412%0.1219%0.185CC..EExtended strand (participates in β ladder)trans-137.9142.4-176-56.986.4000112.4T70 Q76 V80 I121T70-H78 HydrophobicContact CG2-CB 4.21Å; T70-H78 PolarHBondContact N-O 2.94Å; T70-H78 PolarHBondContact OG1-N 3.09Å; Q76-H78 PolarHBondContact O-CE1 3.04Å; Q76-H78 PolarHBondContact O-ND1 2.9Å; H78-V80 HydrophobicContact CB-CG2 3.91Å; H78-I121 CarbonylContact C-O 3.59Å; H78-I121 WeakPolarHBondContact CA-O 3.48Å
79L98.4Very high92.4Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-79.6129.8154.1173.363.8000107.9V67 I121 A130 I140 T142 F152V67-L79 HydrophobicContact CG1-CD1 3.84Å; L79-I121 HydrophobicContact CB-CB 4.39Å; L79-I121 HydrophobicContact CD2-CD1 4.42Å; L79-I121 PolarHBondContact N-O 3.03Å; L79-I121 PolarHBondContact O-N 3.13Å; L79-A130 HydrophobicContact CD1-CB 3.91Å; L79-I140 HydrophobicContact CD1-CG2 4.18Å; L79-I140 HydrophobicContact CD2-CB 4.31Å; L79-I140 HydrophobicContact CD2-CD1 4.48Å; L79-I140 HydrophobicContact CD2-CG2 4.07Å; L79-T142 HydrophobicContact CD1-CG2 3.99Å; L79-T142 HydrophobicContact CD2-CG2 4.1Å; L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.83Å; L79-F152 HydrophobicContact CD2-CG 4.02Å
80V98.3Very high90.8Very high7 Ų746.8 Ų46.84%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-124.4134-168.7-176.90000110.5L68 T70 H78 I117 I119 K120L68-V80 HydrophobicContact CB-CB 4.11Å; L68-V80 HydrophobicContact CB-CG1 4.49Å; L68-V80 PolarHBondContact N-O 3.24Å; L68-V80 PolarHBondContact O-N 2.85Å; T70-V80 HydrophobicContact CG2-CG2 4.1Å; H78-V80 HydrophobicContact CB-CG2 3.91Å; V80-I117 HydrophobicContact CG1-CD1 3.74Å; V80-I117 HydrophobicContact CG1-CG1 4.43Å; V80-I117 HydrophobicContact CG1-CG2 3.65Å; V80-I119 WeakPolarHBondContact CA-O 3.45Å; V80-K120 HydrophobicContact CG2-CG 4.36Å
81I98.5Very high89.1Confident1 Ų147.5 Ų47.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-114.4121.5166.8-57.9169.2000107.9L50 R65 L66 E118 I119 I140 Y154L50-I81 HydrophobicContact CD1-CG2 4.15Å; R65-I81 HydrophobicContact CB-CG2 4.38Å; L66-I81 VanDerWaalsContact O-CA 3.31Å; L66-I81 WeakPolarHBondContact O-CA 3.48Å; I81-E118 PolarHBondContact O-N 3.32Å; I81-I119 HydrophobicContact CB-CB 4.08Å; I81-I119 HydrophobicContact CD1-CB 4.32Å; I81-I119 HydrophobicContact CD1-CD1 3.98Å; I81-I119 HydrophobicContact CG1-CB 4.46Å; I81-I119 PolarHBondContact N-O 3.41Å; I81-I119 PolarHBondContact O-N 3.38Å; I81-I119 VanDerWaalsContact O-N 3.13Å; I81-I140 HydrophobicContact CD1-CD1 4.14Å; I81-I140 HydrophobicContact CG1-CD1 4.43Å; I81-Y154 HydrophobicContact CD1-CD1 3.31Å; I81-Y154 HydrophobicContact CD1-CD2 3.68Å; I81-Y154 HydrophobicContact CD1-CE1 3.79Å; I81-Y154 HydrophobicContact CD1-CE2 4.2Å; I81-Y154 HydrophobicContact CD1-CG 3.22Å
82A97.9Very high87.1Confident0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-113.4143.7179.600000110.5R65 L66 L68 E116 I117R65-A82 CarbonylContact C-O 3.55Å; R65-A82 WeakPolarHBondContact CA-O 3.48Å; L66-A82 PolarHBondContact N-O 3.37Å; L66-A82 PolarHBondContact O-N 2.99Å; L68-A82 HydrophobicContact CD1-CB 4Å; A82-E116 CarbonylContact C-O 3.54Å; A82-E116 WeakPolarHBondContact CA-O 3.45Å; A82-I117 HydrophobicContact CB-CD1 3.82Å
83S97.3Very high85.2Confident6 Ų657.5 Ų57.54%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-94.8140.1168.463.20000110.4H64 I115 E116 E118H64-S83 CarbonylContact O-C 3.56Å; H64-S83 WeakPolarHBondContact O-CA 3.47Å; S83-I115 WeakPolarHBondContact O-CA 3.29Å; S83-E116 PolarHBondContact N-O 3.11Å; S83-E116 PolarHBondContact O-N 3.44Å; S83-E116 PolarHBondContact OG-O 2.91Å; S83-E118 WeakPolarHBondContact CB-OE1 3.41Å
84V96Very high83.7Confident0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-123.9125.9175.2-170.50000108.5M36 W49 H64 L66 L86 I115 V402M36-V84 HydrophobicContact CE-CG1 3.7Å; M36-V84 HydrophobicContact SD-CG1 4.41Å; W49-V84 HydrophobicContact CH2-CB 4.01Å; W49-V84 HydrophobicContact CH2-CG1 4.17Å; W49-V84 HydrophobicContact CH2-CG2 3.97Å; W49-V84 HydrophobicContact CZ3-CB 4.02Å; W49-V84 HydrophobicContact CZ3-CG2 3.94Å; H64-V84 PolarHBondContact N-O 2.84Å; H64-V84 PolarHBondContact O-N 2.84Å; L66-V84 HydrophobicContact CD1-CG2 3.59Å; L66-V84 HydrophobicContact CG-CG2 4.19Å; V84-L86 HydrophobicContact CG1-CD2 3.98Å; V84-L86 HydrophobicContact CG1-CG 4.31Å; V84-I115 HydrophobicContact CG1-CG1 4.1Å; V84-I115 HydrophobicContact CG2-CG1 4.23Å; V84-V402 HydrophobicContact CG1-CG2 4.34Å
85Q94.3Very high82Confident36 Ų3651 Ų5117%0.16827%0.27CS..EExtended strand (participates in β ladder)trans-86.4115.2170.3-62.6179.7-100109.4Y61 S62 V63 G113 K114Y61-Q85 HydrophobicContact CD2-CB 3.95Å; Y61-Q85 HydrophobicContact CD2-CG 3.87Å; Y61-Q85 HydrophobicContact CE2-CG 3.95Å; Y61-Q85 HydrophobicContact CG-CB 4.39Å; S62-Q85 CarbonylContact O-C 3.45Å; S62-Q85 WeakPolarHBondContact O-CA 3.48Å; V63-Q85 HydrophobicContact CG2-CG 4.4Å; Q85-G113 WeakPolarHBondContact O-CA 3.17Å; Q85-K114 HydrophobicContact CG-CB 4.23Å; Q85-K114 PolarHBondContact N-O 2.98Å
86L90.9Very high79.5Confident3 Ų349.9 Ų49.92%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-106139.3175.5-66.8-177000109.9L34 M36 W49 Y61 S62 H64 V84 N384 E387 V390 V402L34-L86 HydrophobicContact CD2-CD2 3.78Å; M36-L86 HydrophobicContact SD-CD2 4.12Å; W49-L86 HydrophobicContact CH2-CD1 4.12Å; Y61-L86 CarbonylContact C-O 3.57Å; Y61-L86 WeakPolarHBondContact CA-O 3.4Å; Y61-L86 WeakPolarHBondContact CB-O 3.46Å; S62-L86 PolarHBondContact N-O 2.98Å; S62-L86 PolarHBondContact O-N 3.44Å; S62-L86 PolarHBondContact OG-O 3.19Å; H64-L86 HydrophobicContact CB-CD1 4.43Å; V84-L86 HydrophobicContact CG1-CD2 3.98Å; V84-L86 HydrophobicContact CG1-CG 4.31Å; L86-N384 VanDerWaalsContact CD1-ND2 3.33Å; L86-N384 WeakPolarHBondContact CD1-ND2 3.46Å; L86-E387 HydrophobicContact CD1-CG 4.14Å; L86-V390 HydrophobicContact CD1-CG1 4.05Å; L86-V402 HydrophobicContact CD2-CG1 3.86Å
87P84.6Confident77Confident42 Ų4251.6 Ų51.627%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-58.1145.6170.2-19.932.3000111.1L34 A91L34-P87 HydrophobicContact CD1-CG 4.46Å; P87-A91 HydrophobicContact CB-CB 4.19Å
88N81.7Confident74.4Confident22 Ų2258.4 Ų58.412%0.11831%0.309CS..  trans-78.7157.5167.6-61.7-40.1000110.3R55 K59 D60 Y61 S62 D90 A91R55-N88 PolarHBondContact NH1-OD1 2.96Å; R55-N88 VanDerWaalsContact NH1-OD1 3.11Å; K59-N88 PolarHBondContact O-ND2 2.74Å; D60-N88 PolarHBondContact O-N 3.05Å; Y61-N88 PolarHBondContact N-ND2 3.21Å; S62-N88 PolarHBondContact N-OD1 3.26Å; N88-D90 WeakPolarHBondContact CB-OD1 3.48Å; N88-D90 PolarHBondContact O-N 3.33Å; N88-D90 VanDerWaalsContact O-N 3.12Å; N88-A91 WeakPolarHBondContact O-CB 3.43Å; N88-A91 PolarHBondContact O-N 3.15Å
89D71.2Confident72Confident143 Ų14360.3 Ų60.377%0.76532%0.32SS*.THydrogen-bonded Turntrans-55.6-29.1177.8-65.3-24.1000114.5A91D89-A91 VanDerWaalsContact C-N 3.29Å
90D66.1Low68.9Low133 Ų13364.3 Ų64.371%0.71135%0.348SS*.THydrogen-bonded Turntrans-85.2-0.6179.666.9-33.3000113.7N88 Q92N88-D90 WeakPolarHBondContact CB-OD1 3.48Å; N88-D90 PolarHBondContact O-N 3.33Å; N88-D90 VanDerWaalsContact O-N 3.12Å; D90-Q92 PolarHBondContact O-N 3.09Å
91A61.7Low66Low24 Ų2472.5 Ų72.520%0.19839%0.386CS..SBendtrans-69.1129.3174.700000110.4D60 P87 N88 D89 F93 F108D60-A91 HydrophobicContact CB-CB 4.44Å; P87-A91 HydrophobicContact CB-CB 4.19Å; N88-A91 WeakPolarHBondContact O-CB 3.43Å; N88-A91 PolarHBondContact O-N 3.15Å; D89-A91 VanDerWaalsContact C-N 3.29Å; A91-F93 PolarHBondContact O-N 3.27Å; A91-F108 HydrophobicContact CB-CE2 4.18Å
92Q55.3Low63.9Low174 Ų17479 Ų7981%0.81341%0.414SS*.  trans-70.5123.8178-73.3-175-15.500110.9D90 D94D90-Q92 PolarHBondContact O-N 3.09Å; Q92-D94 PolarHBondContact O-N 3.32Å
93F52.5Low61.4Low119 Ų11980.9 Ų80.952%0.52243%0.434SS..  trans-70.3113.2172.3-169.5-99.6000110.5A91 A95A91-F93 PolarHBondContact O-N 3.27Å; F93-A95 HydrophobicContact CD1-CB 4.04Å; F93-A95 HydrophobicContact CE1-CB 3.65Å
94D51.7Low58.9Low68 Ų6885.5 Ų85.536%0.36446%0.455SS..  trans-105.594.5172.7-168.5-7.3000111Q92 S96 H97Q92-D94 PolarHBondContact O-N 3.32Å; D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CB 3.4Å; D94-S96 PolarHBondContact OD1-N 3.07Å; D94-S96 PolarHBondContact OD1-OG 3.28Å; D94-S96 PolarHBondContact OD2-OG 3.13Å; D94-H97 IonicContact OD2-CD2 3.62Å; D94-H97 IonicContact OD2-NE2 3.91Å
95A46.4Very low56.3Low76 Ų7689.8 Ų89.863%0.62847%0.473SS*.THydrogen-bonded Turntrans-72.8-3177.300000114F93F93-A95 HydrophobicContact CD1-CB 4.04Å; F93-A95 HydrophobicContact CE1-CB 3.65Å
96S38.5Very low53.5Low89 Ų8989.7 Ų89.762%0.62248%0.482SS*.THydrogen-bonded Turntrans-86.2-7.4-167.974.50000115D94 Y98D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CB 3.4Å; D94-S96 PolarHBondContact OD1-N 3.07Å; D94-S96 PolarHBondContact OD1-OG 3.28Å; D94-S96 PolarHBondContact OD2-OG 3.13Å; S96-Y98 PolarHBondContact O-N 3.26Å
97H41Very low51.3Low103 Ų10391.6 Ų91.648%0.47750%0.502SS..  trans-92.385-177.8-80.1-70.6000112.8D94D94-H97 IonicContact OD2-CD2 3.62Å; D94-H97 IonicContact OD2-NE2 3.91Å
98Y43Very low49.4Very low154 Ų15491.5 Ų91.560%0.60450%0.498SS*.  trans-80.1107.9158.9175.8-109.8000109.2S96 S100S96-Y98 PolarHBondContact O-N 3.26Å; Y98-S100 VanDerWaalsContact CE1-CB 3.44Å; Y98-S100 PolarHBondContact O-N 3.45Å
99D46.3Very low47.1Very low65 Ų6591.9 Ų91.935%0.34851%0.507SS..BIsolated β-bridgetrans-85.493.6169.7-166.6-14.9000110.2E101 K102 G103D99-E101 PolarHBondContact O-N 3.46Å; D99-E101 WeakPolarHBondContact OD1-CB 3.38Å; D99-E101 PolarHBondContact OD1-N 2.58Å; D99-K102 HydrophobicContact CB-CB 4.5Å; D99-K102 PolarHBondContact O-N 2.82Å; D99-G103 PolarHBondContact O-N 2.63Å
100S34.8Very low45.5Very low85 Ų8590.1 Ų90.159%0.59451%0.506SS*.THydrogen-bonded Turntrans-61.6-20.4177.860.30000114.1Y98Y98-S100 VanDerWaalsContact CE1-CB 3.44Å; Y98-S100 PolarHBondContact O-N 3.45Å
101E37.2Very low44.3Very low180 Ų18085.7 Ų85.784%0.84148%0.484SS*.THydrogen-bonded Turntrans-82.9-26.8-180-66.6-169.2162.100112.6D99D99-E101 PolarHBondContact O-N 3.46Å; D99-E101 WeakPolarHBondContact OD1-CB 3.38Å; D99-E101 PolarHBondContact OD1-N 2.58Å
102K53.3Low44Very low137 Ų13789.7 Ų89.760%0.59651%0.51SS*.THydrogen-bonded Turntrans-99.6-14.6179.5-68.6-171.1179.1-179.10114.9D99 E104D99-K102 HydrophobicContact CB-CB 4.5Å; D99-K102 PolarHBondContact O-N 2.82Å; K102-E104 HydrophobicContact CB-CB 4.34Å; K102-E104 HydrophobicContact CB-CG 4.01Å; K102-E104 WeakPolarHBondContact CD-OE2 3.47Å; K102-E104 PolarHBondContact O-N 3.03Å
103G44.7Very low44.3Very low40 Ų4082.3 Ų82.341%0.41248%0.481SS..THydrogen-bonded Turntrans62.230.4-176.600000112.6K25 D99K25-G103 VanDerWaalsContact CE-O 3.32Å; K25-G103 WeakPolarHBondContact CE-O 3.43Å; K25-G103 PolarHBondContact NZ-O 2.82Å; K25-G103 VanDerWaalsContact NZ-O 3.08Å; D99-G103 PolarHBondContact O-N 2.63Å
104E45.6Very low45.8Very low103 Ų10381.4 Ų81.448%0.48148%0.477SS..BIsolated β-bridgetrans-101.4129.3177.3-70.9170.617900108K102K102-E104 HydrophobicContact CB-CB 4.34Å; K102-E104 HydrophobicContact CB-CG 4.01Å; K102-E104 WeakPolarHBondContact CD-OE2 3.47Å; K102-E104 PolarHBondContact O-N 3.03Å
105F42.5Very low47.6Very low89 Ų8979.2 Ų79.239%0.3947%0.465SS..PPolyproline II helixtrans-78130.4165.8-81.4-83.9000107.5K25 K26 P29 G107K25-F105 WeakPolarHBondContact O-CD2 3.45Å; K26-F105 HydrophobicContact CG-CE2 4.32Å; P29-F105 HydrophobicContact CG-CB 3.92Å; P29-F105 HydrophobicContact CG-CD1 3.71Å; P29-F105 HydrophobicContact CG-CG 4.01Å; F105-G107 PolarHBondContact O-N 3.28Å
106G35.6Very low49.8Very low34 Ų3479.8 Ų79.835%0.35146%0.455SS..PPolyproline II helixtrans-61.7117.1-170.900000113.5
107G44.1Very low52.5Low43 Ų4378.8 Ų78.844%0.44344%0.442SS..SBendtrans-93.8145.8136.700000108.4F105F105-G107 PolarHBondContact O-N 3.28Å
108F43.3Very low55.1Low40 Ų4077.7 Ų77.718%0.17544%0.436CS..SBendtrans25.4100.7173.6-159.9-98.6000117.6A91 S110 V111A91-F108 HydrophobicContact CB-CE2 4.18Å; F108-S110 PolarHBondContact O-N 3.21Å; F108-V111 HydrophobicContact CD1-CB 3.6Å; F108-V111 HydrophobicContact CD1-CG2 4.22Å; F108-V111 VanDerWaalsContact CD1-N 3.28Å; F108-V111 WeakPolarHBondContact CD1-O 3.14Å; F108-V111 HydrophobicContact CE1-CB 3.53Å; F108-V111 HydrophobicContact CE1-CG2 3.63Å
109G35.1Very low57.6Low30 Ų3071.3 Ų71.331%0.30941%0.413SS..THydrogen-bonded Turntrans-65.618.7-174.900000119.5
110S36.8Very low60Low107 Ų10770.6 Ų70.675%0.74841%0.406SS*.THydrogen-bonded Turntrans-152.2-11.1170.7-173.10000115.9F108F108-S110 PolarHBondContact O-N 3.21Å
111V41.6Very low62.9Low39 Ų3966.9 Ų66.924%0.23638%0.38CS..  trans-138.288.5-179-176.20000106.4F108 G113F108-V111 HydrophobicContact CD1-CB 3.6Å; F108-V111 HydrophobicContact CD1-CG2 4.22Å; F108-V111 VanDerWaalsContact CD1-N 3.28Å; F108-V111 WeakPolarHBondContact CD1-O 3.14Å; F108-V111 HydrophobicContact CE1-CB 3.53Å; F108-V111 HydrophobicContact CE1-CG2 3.63Å; V111-G113 PolarHBondContact O-N 3.28Å
112S54.9Low65.7Low109 Ų10959 Ų5976%0.76234%0.343SS*.  trans-53110.6154.556.40000105.6K114S112-K114 PolarHBondContact O-N 2.98Å
113G61.8Low67.8Low19 Ų1952.5 Ų52.520%0.19632%0.315CS..  trans-46.9122.8178.300000108.5M36 Q85 V111M36-G113 VanDerWaalsContact CE-CA 3.47Å; M36-G113 WeakPolarHBondContact CE-O 3.32Å; Q85-G113 WeakPolarHBondContact O-CA 3.17Å; V111-G113 PolarHBondContact O-N 3.28Å
114K83.5Confident70.2Confident100 Ų10053.9 Ų53.944%0.43531%0.311SS..  trans-84.6126.8-172.6-157.8-176.8-167.6-171.70108.8Q85 S112 E116Q85-K114 HydrophobicContact CG-CB 4.23Å; Q85-K114 PolarHBondContact N-O 2.98Å; S112-K114 PolarHBondContact O-N 2.98Å; K114-E116 HydrophobicContact CD-CG 3.85Å; K114-E116 WeakPolarHBondContact CE-OE1 3.18Å; K114-E116 HydrophobicContact CG-CG 3.92Å; K114-E116 IonicContact NZ-OE1 3.38Å; K114-E116 PolarHBondContact NZ-OE1 2.82Å
115I89.5Confident72.6Confident22 Ų2250.3 Ų50.311%0.11330%0.302CS..EExtended strand (participates in β ladder)trans-105122169.5-66.1157.2000107.3M36 H38 S83 V84 M400M36-I115 HydrophobicContact CE-CD1 3.87Å; M36-I115 HydrophobicContact CE-CG1 3.91Å; H38-I115 HydrophobicContact CB-CD1 3.52Å; S83-I115 WeakPolarHBondContact O-CA 3.29Å; V84-I115 HydrophobicContact CG1-CG1 4.1Å; V84-I115 HydrophobicContact CG2-CG1 4.23Å; I115-M400 HydrophobicContact CB-CE 4.4Å; I115-M400 HydrophobicContact CD1-CE 3.5Å; I115-M400 HydrophobicContact CG1-CE 4.04Å; I115-M400 HydrophobicContact CG2-CE 3.59Å
116E93.3Very high75.3Confident88 Ų8848.3 Ų48.341%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-131142.1177.9-61.3-167.4135.500110.6A82 S83 K114 E118A82-E116 CarbonylContact C-O 3.54Å; A82-E116 WeakPolarHBondContact CA-O 3.45Å; S83-E116 PolarHBondContact N-O 3.11Å; S83-E116 PolarHBondContact O-N 3.44Å; S83-E116 PolarHBondContact OG-O 2.91Å; K114-E116 HydrophobicContact CD-CG 3.85Å; K114-E116 WeakPolarHBondContact CE-OE1 3.18Å; K114-E116 HydrophobicContact CG-CG 3.92Å; K114-E116 IonicContact NZ-OE1 3.38Å; K114-E116 PolarHBondContact NZ-OE1 2.82Å; E116-E118 PolarHBondContact O-N 3.08Å
117I94.5Very high78.3Confident68 Ų6846.7 Ų46.735%0.34928%0.277SS..EExtended strand (participates in β ladder)trans-82.7114.9172.4-53.8-50.6000109V80 A82 K120V80-I117 HydrophobicContact CG1-CD1 3.74Å; V80-I117 HydrophobicContact CG1-CG1 4.43Å; V80-I117 HydrophobicContact CG1-CG2 3.65Å; A82-I117 HydrophobicContact CB-CD1 3.82Å; I117-K120 HydrophobicContact CG2-CD 4.3Å; I117-K120 HydrophobicContact CG2-CG 3.66Å
118E94.8Very high80.9Confident79 Ų7944.7 Ų44.737%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-87.5-47.3179.8-64.7-168.5152.700111.8R65 I81 S83 E116 S159R65-E118 WeakPolarHBondContact CD-OE2 3.49Å; R65-E118 IonicContact NH1-OE2 3.88Å; I81-E118 PolarHBondContact O-N 3.32Å; S83-E118 WeakPolarHBondContact CB-OE1 3.41Å; E116-E118 PolarHBondContact O-N 3.08Å; E118-S159 WeakPolarHBondContact O-CB 3.38Å
119I96.5Very high83.5Confident21 Ų2143.8 Ų43.811%0.10825%0.252CS..EExtended strand (participates in β ladder)trans-130.2130.8-173.9-56.3173000109.5V80 I81 I121 Y154 S159V80-I119 WeakPolarHBondContact CA-O 3.45Å; I81-I119 HydrophobicContact CB-CB 4.08Å; I81-I119 HydrophobicContact CD1-CB 4.32Å; I81-I119 HydrophobicContact CD1-CD1 3.98Å; I81-I119 HydrophobicContact CG1-CB 4.46Å; I81-I119 PolarHBondContact N-O 3.41Å; I81-I119 PolarHBondContact O-N 3.38Å; I81-I119 VanDerWaalsContact O-N 3.13Å; I119-I121 HydrophobicContact CG2-CD1 4.19Å; I119-I121 HydrophobicContact CG2-CG1 3.81Å; I119-Y154 HydrophobicContact CD1-CD2 3.56Å; I119-Y154 HydrophobicContact CD1-CE2 4.2Å; I119-Y154 HydrophobicContact CD1-CG 4.32Å; I119-S159 CarbonylContact C-O 2.99Å; I119-S159 VanDerWaalsContact CA-O 3.26Å; I119-S159 WeakPolarHBondContact CA-O 3.34Å
120K96.1Very high86.5Confident49 Ų4942.3 Ų42.321%0.21324%0.237CC..EExtended strand (participates in β ladder)trans-122.9123.8166.2-76.1-171.2175-171.10108.9E41 V80 I117 S159 P161E41-K120 IonicContact OE2-NZ 2.92Å; E41-K120 PolarHBondContact OE2-NZ 3Å; V80-K120 HydrophobicContact CG2-CG 4.36Å; I117-K120 HydrophobicContact CG2-CD 4.3Å; I117-K120 HydrophobicContact CG2-CG 3.66Å; K120-S159 PolarHBondContact N-O 3.3Å; K120-P161 HydrophobicContact CB-CG 4.13Å; K120-P161 VanDerWaalsContact O-CD 3.31Å; K120-P161 WeakPolarHBondContact O-CD 3.35Å; K120-P161 WeakPolarHBondContact O-CG 3.5Å
121I96.7Very high89.5Confident8 Ų838.4 Ų38.44%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-116128.5176.3-54.4175.3000107.8H78 L79 I119 H123 F152 H157H78-I121 CarbonylContact C-O 3.59Å; H78-I121 WeakPolarHBondContact CA-O 3.48Å; L79-I121 HydrophobicContact CB-CB 4.39Å; L79-I121 HydrophobicContact CD2-CD1 4.42Å; L79-I121 PolarHBondContact N-O 3.03Å; L79-I121 PolarHBondContact O-N 3.13Å; I119-I121 HydrophobicContact CG2-CD1 4.19Å; I119-I121 HydrophobicContact CG2-CG1 3.81Å; I121-H123 PolarHBondContact O-N 2.9Å; I121-F152 HydrophobicContact CG2-CD1 3.88Å; I121-F152 HydrophobicContact CG2-CE1 3.91Å; I121-H157 HydrophobicContact CD1-CB 3.79Å; I121-H157 HydrophobicContact CG1-CB 3.9Å
122N96.4Very high92.2Very high13 Ų1338.3 Ų38.37%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-56.2134.2175.3-69.2-13.1000110.2P161 G166 E167 C168N122-P161 VanDerWaalsContact OD1-CB 3.3Å; N122-P161 WeakPolarHBondContact OD1-CB 3.28Å; N122-P161 WeakPolarHBondContact OD1-CG 3.38Å; N122-G166 WeakPolarHBondContact ND2-CA 3.39Å; N122-E167 WeakPolarHBondContact CB-O 3.4Å; N122-E167 PolarHBondContact ND2-O 3.46Å; N122-C168 PolarHBondContact O-SG 3.27Å; N122-C168 VanDerWaalsContact O-SG 3.35Å
123H97.1Very high94.3Very high2 Ų233.7 Ų33.71%0.00917%0.168CC..  trans-124.3148.1-179.6-168.2-95.8000111.2Q76 N77 I121 G125 E126 V127 T142 F152Q76-H123 PolarHBondContact NE2-O 2.89Å; N77-H123 PolarHBondContact O-N 3.17Å; I121-H123 PolarHBondContact O-N 2.9Å; H123-G125 PolarHBondContact ND1-O 3.03Å; H123-G125 PolarHBondContact O-N 3.26Å; H123-E126 PolarHBondContact CE1-O 3.4Å; H123-V127 HydrophobicContact CB-CG2 4.17Å; H123-T142 WeakPolarHBondContact NE2-CB 2.89Å; H123-T142 PolarHBondContact NE2-OG1 3.36Å; H123-F152 AromaticContact CD2-CE2 3.78Å; H123-F152 AromaticContact CD2-CZ 3.91Å
124E95Very high96Very high68 Ų6835.5 Ų35.532%0.31818%0.176SC..SBendtrans-82.199.2175.7-91.8163-137.100109.7L150 C168 R173E124-L150 HydrophobicContact CB-CD1 4.4Å; E124-C168 HydrophobicContact CB-CB 4.3Å; E124-C168 HydrophobicContact CG-CB 3.6Å; E124-R173 IonicContact OE1-CZ 3.93Å; E124-R173 IonicContact OE1-NH2 3.76Å; E124-R173 PolarHBondContact OE1-NH2 2.88Å; E124-R173 IonicContact OE2-CZ 3.87Å; E124-R173 VanDerWaalsContact OE2-CZ 3.3Å; E124-R173 IonicContact OE2-NH1 3.52Å; E124-R173 PolarHBondContact OE2-NH1 2.91Å; E124-R173 IonicContact OE2-NH2 3.97Å; E124-R173 PolarHBondContact OE2-NH2 2.83Å
125G96Very high96.8Very high29 Ų2934.2 Ų34.230%0.29917%0.172SC..SBendtrans73.5-177.2-173.400000112.6N77 H123N77-G125 VanDerWaalsContact CB-C 3.49Å; N77-G125 WeakPolarHBondContact CB-O 3.49Å; H123-G125 PolarHBondContact ND1-O 3.03Å; H123-G125 PolarHBondContact O-N 3.26Å
126E97.8Very high97.2Very high46 Ų4636.3 Ų36.322%0.21518%0.183CC..  trans-62.8156.1177.562.3-82.1-172.700112.5L45 T70 H71 N77 H123 N128 P145L45-E126 HydrophobicContact CD1-CG 4.26Å; T70-E126 WeakPolarHBondContact O-CA 3.38Å; T70-E126 WeakPolarHBondContact O-CB 3.15Å; H71-E126 HydrophobicContact CB-CB 4.16Å; N77-E126 PolarHBondContact ND2-N 2.78Å; H123-E126 PolarHBondContact CE1-O 3.4Å; E126-N128 WeakPolarHBondContact CG-OD1 3.42Å; E126-N128 PolarHBondContact O-N 2.81Å; E126-P145 HydrophobicContact CG-CG 3.75Å; E126-P145 WeakPolarHBondContact O-CD 3.35Å; E126-P145 WeakPolarHBondContact OE1-CB 3.34Å; E126-P145 WeakPolarHBondContact OE1-CG 3.33Å; E126-P145 VanDerWaalsContact OE2-CG 3.29Å; E126-P145 WeakPolarHBondContact OE2-CG 3.14Å
127V98.6Very high97.4Very high0 Ų033.6 Ų33.60%017%0.173CC..  trans-96.990.3-179.1-176.70000108.7T46 T70 H123 R129 A130 T142T46-V127 HydrophobicContact CG2-CG1 4.08Å; T70-V127 PolarHBondContact O-N 3.35Å; H123-V127 HydrophobicContact CB-CG2 4.17Å; V127-R129 VanDerWaalsContact C-N 3.26Å; V127-R129 PolarHBondContact O-N 2.91Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; V127-T142 HydrophobicContact CG1-CG2 4.03Å
128N98.7Very high97.6Very high2 Ų231.9 Ų31.91%0.01117%0.167CC..SBendtrans-58.5-38.8-177.7-68.95.2000112.2E126 K143 E180 G181 Y182E126-N128 WeakPolarHBondContact CG-OD1 3.42Å; E126-N128 PolarHBondContact O-N 2.81Å; N128-K143 HydrophobicContact CB-CB 3.83Å; N128-K143 PolarHBondContact N-O 3.25Å; N128-E180 PolarHBondContact ND2-OE2 2.84Å; N128-G181 PolarHBondContact ND2-O 3.37Å; N128-Y182 HydrophobicContact CB-CD1 3.82Å; N128-Y182 HydrophobicContact CB-CE1 3.81Å
129R98.9Very high97.7Very high20 Ų2029.1 Ų29.18%0.07515%0.154CC..EExtended strand (participates in β ladder)trans-157.5138.7173.3-167.2166.7-68.6171.11.7110.5V127 R131 T142 K143 Y182 L184 D233V127-R129 VanDerWaalsContact C-N 3.26Å; V127-R129 PolarHBondContact O-N 2.91Å; R129-R131 HydrophobicContact CG-CG 4.22Å; R129-T142 CarbonylContact O-C 3.52Å; R129-T142 VanDerWaalsContact O-CA 3.25Å; R129-T142 WeakPolarHBondContact O-CA 3.32Å; R129-K143 HydrophobicContact CB-CB 4.41Å; R129-K143 HydrophobicContact CB-CG 4.26Å; R129-K143 PolarHBondContact O-N 3.06Å; R129-Y182 WeakPolarHBondContact CB-O 3.5Å; R129-Y182 WeakPolarHBondContact CD-O 3.5Å; R129-Y182 PolarHBondContact NE-O 2.6Å; R129-Y182 PolarHBondContact NH1-O 3.36Å; R129-L184 HydrophobicContact CG-CB 4.39Å; R129-D233 IonicContact NH1-OD1 3.87Å; R129-D233 PolarHBondContact NH1-OD1 3.43Å; R129-D233 IonicContact NH1-OD2 3.15Å
130A98.9Very high97.8Very high0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-124.7130.7173.500000110.6T46 V67 L79 V127 I140 A141 T142T46-A130 HydrophobicContact CG2-CB 3.77Å; T46-A130 PolarHBondContact OG1-N 2.75Å; V67-A130 HydrophobicContact CG1-CB 3.61Å; L79-A130 HydrophobicContact CD1-CB 3.91Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; A130-I140 HydrophobicContact CB-CG2 4.11Å; A130-A141 WeakPolarHBondContact CA-O 3.44Å; A130-T142 HydrophobicContact CB-CG2 3.96Å
131R98.9Very high98Very high24 Ų2425.8 Ų25.89%0.09114%0.139CC..EExtended strand (participates in β ladder)trans-137.3131-180-62.7-66178.9-1069.3112.5T46 Q48 R129 I140 A141 L184 W186 D380T46-R131 PolarHBondContact OG1-NH1 3.38Å; Q48-R131 VanDerWaalsContact OE1-CA 3.24Å; R129-R131 HydrophobicContact CG-CG 4.22Å; R131-I140 WeakPolarHBondContact O-CA 3.32Å; R131-A141 PolarHBondContact N-O 3.41Å; R131-A141 PolarHBondContact O-N 3.13Å; R131-L184 HydrophobicContact CB-CD2 4.11Å; R131-L184 HydrophobicContact CG-CB 4.47Å; R131-L184 HydrophobicContact CG-CD2 4.17Å; R131-W186 PolarHBondContact O-NE1 3.04Å; R131-D380 IonicContact CZ-OD2 3.82Å; R131-D380 IonicContact NH1-OD2 2.66Å; R131-D380 PolarHBondContact NH1-OD2 3.32Å; R131-D380 VanDerWaalsContact NH1-OD2 3.1Å; R131-D380 IonicContact NH2-OD1 3.74Å; R131-D380 PolarHBondContact NH2-OD1 3.06Å; R131-D380 IonicContact NH2-OD2 3.32Å; R131-D380 PolarHBondContact NH2-OD2 3.17Å
132Y98.8Very high98.1Very high38 Ų3825.4 Ų25.415%0.14914%0.137CC..EExtended strand (participates in β ladder)trans-77.1148.8174.776.8-94.6000111.6Q48 W49 L50 P51 P134 P137 I139 W186Q48-Y132 VanDerWaalsContact CD-CE1 3.49Å; Q48-Y132 HydrophobicContact CG-CD1 4.06Å; Q48-Y132 HydrophobicContact CG-CE1 3.98Å; W49-Y132 WeakPolarHBondContact O-CE1 3.34Å; L50-Y132 HydrophobicContact CD2-CD1 4.04Å; L50-Y132 HydrophobicContact CD2-CG 4.04Å; P51-Y132 HydrophobicContact CG-CE2 3.89Å; Y132-P134 WeakPolarHBondContact O-CD 3.21Å; Y132-P137 HydrophobicContact CD2-CB 3.84Å; Y132-P137 HydrophobicContact CD2-CG 4.11Å; Y132-P137 HydrophobicContact CE2-CB 4.42Å; Y132-P137 HydrophobicContact CE2-CG 4.31Å; Y132-P137 HydrophobicContact CG-CB 4.38Å; Y132-I139 CarbonylContact C-O 3.56Å; Y132-I139 WeakPolarHBondContact CA-O 3.2Å; Y132-W186 VanDerWaalsContact C-CD1 3.47Å
133M98.7Very high98.2Very high12 Ų1224.9 Ų24.96%0.05913%0.134CC..EExtended strand (participates in β ladder)trans-78.9120.9173.3-176.8173.666.900110.1Q135 N136 I139 W186 G192M133-Q135 VanDerWaalsContact C-N 3.27Å; M133-Q135 PolarHBondContact O-N 2.85Å; M133-Q135 VanDerWaalsContact O-N 3.13Å; M133-N136 HydrophobicContact CE-CB 3.59Å; M133-N136 CarbonylContact O-C 3.59Å; M133-N136 PolarHBondContact O-N 3.35Å; M133-N136 VanDerWaalsContact O-O 3.1Å; M133-I139 HydrophobicContact CB-CB 4.13Å; M133-I139 HydrophobicContact CB-CG2 4.45Å; M133-I139 HydrophobicContact CE-CB 4.08Å; M133-I139 HydrophobicContact CE-CG1 3.91Å; M133-I139 PolarHBondContact N-O 2.82Å; M133-W186 HydrophobicContact CB-CD2 3.8Å; M133-W186 HydrophobicContact CB-CE3 4.14Å; M133-W186 HydrophobicContact CB-CG 4.18Å; M133-W186 HydrophobicContact CB-CH2 4.49Å; M133-W186 HydrophobicContact CB-CZ2 4.15Å; M133-W186 HydrophobicContact CB-CZ3 4.48Å; M133-W186 HydrophobicContact CG-CD2 3.93Å; M133-W186 HydrophobicContact CG-CE3 3.81Å; M133-W186 HydrophobicContact CG-CG 4.4Å; M133-W186 HydrophobicContact CG-CZ3 4.21Å; M133-W186 HydrophobicContact SD-CE3 3.99Å; M133-W186 HydrophobicContact SD-CH2 4.29Å; M133-W186 HydrophobicContact SD-CZ3 3.83Å; M133-G192 PolarHBondContact SD-N 2.93Å; M133-G192 VanDerWaalsContact SD-N 3.41Å
134P98.3Very high98.3Very high57 Ų5724.9 Ų24.937%0.3713%0.134SC..THydrogen-bonded Turntrans-56.2-35.5-173.6-29.536.3000115.2Y132 N136 W186 P188Y132-P134 WeakPolarHBondContact O-CD 3.21Å; P134-N136 VanDerWaalsContact C-N 3.34Å; P134-W186 HydrophobicContact CG-CB 4.41Å; P134-P188 HydrophobicContact CG-CB 4.48Å
135Q98.3Very high98.4Very high73 Ų7323.5 Ų23.534%0.34113%0.131SC..THydrogen-bonded Turntrans-79.2-17.6-178.5-52.185.4-2.400113.3M133 N187 P188M133-Q135 VanDerWaalsContact C-N 3.27Å; M133-Q135 PolarHBondContact O-N 2.85Å; M133-Q135 VanDerWaalsContact O-N 3.13Å; Q135-N187 PolarHBondContact NE2-O 2.94Å; Q135-P188 PolarHBondContact NE2-O 2.61Å
136N97.9Very high98.4Very high65 Ų6525.2 Ų25.235%0.34814%0.136SC..EExtended strand (participates in β ladder)trans-152.392172.2-178.24.1000109.6M133 P134 C138 I139M133-N136 HydrophobicContact CE-CB 3.59Å; M133-N136 CarbonylContact O-C 3.59Å; M133-N136 PolarHBondContact O-N 3.35Å; M133-N136 VanDerWaalsContact O-O 3.1Å; P134-N136 VanDerWaalsContact C-N 3.34Å; N136-C138 PolarHBondContact O-N 3.13Å; N136-C138 WeakPolarHBondContact OD1-CB 3.18Å; N136-C138 PolarHBondContact OD1-N 2.89Å; N136-I139 HydrophobicContact CB-CG1 4.31Å; N136-I139 PolarHBondContact O-N 3.21Å
137P98.3Very high98.4Very high32 Ų3224.7 Ų24.721%0.20814%0.138CC..EExtended strand (participates in β ladder)trans-62.7-9.5-175.9-24.634.8000115.2L50 P51 Y132 I139 Y154L50-P137 HydrophobicContact CD2-CB 4.22Å; P51-P137 HydrophobicContact CG-CB 3.95Å; P51-P137 HydrophobicContact CG-CG 3.51Å; Y132-P137 HydrophobicContact CD2-CB 3.84Å; Y132-P137 HydrophobicContact CD2-CG 4.11Å; Y132-P137 HydrophobicContact CE2-CB 4.42Å; Y132-P137 HydrophobicContact CE2-CG 4.31Å; Y132-P137 HydrophobicContact CG-CB 4.38Å; P137-I139 PolarHBondContact O-N 3.31Å; P137-Y154 WeakPolarHBondContact O-CE1 3.48Å
138C98Very high98.4Very high31 Ų3125.4 Ų25.421%0.20914%0.142CC..EExtended strand (participates in β ladder)trans-66.3-25.4170.7-61.60000113.2N136 D153 Y154 T155N136-C138 PolarHBondContact O-N 3.13Å; N136-C138 WeakPolarHBondContact OD1-CB 3.18Å; N136-C138 PolarHBondContact OD1-N 2.89Å; C138-D153 WeakPolarHBondContact O-CA 3.3Å; C138-Y154 HydrophobicContact CB-CE1 4.28Å; C138-Y154 WeakPolarHBondContact O-CD1 3.42Å; C138-Y154 PolarHBondContact O-N 3.4Å; C138-T155 HydrophobicContact CB-CG2 3.94Å
139I98.4Very high98.4Very high21 Ų2125.3 Ų25.311%0.10814%0.141CC..EExtended strand (participates in β ladder)trans-91.2120.9-179-52.7-55.3000109.3Y132 M133 N136 P137 V151 F152 D153 W186 I208Y132-I139 CarbonylContact C-O 3.56Å; Y132-I139 WeakPolarHBondContact CA-O 3.2Å; M133-I139 HydrophobicContact CB-CB 4.13Å; M133-I139 HydrophobicContact CB-CG2 4.45Å; M133-I139 HydrophobicContact CE-CB 4.08Å; M133-I139 HydrophobicContact CE-CG1 3.91Å; M133-I139 PolarHBondContact N-O 2.82Å; N136-I139 HydrophobicContact CB-CG1 4.31Å; N136-I139 PolarHBondContact O-N 3.21Å; P137-I139 PolarHBondContact O-N 3.31Å; I139-V151 HydrophobicContact CG2-CG1 3.43Å; I139-V151 VanDerWaalsContact CG2-CG1 3.43Å; I139-F152 CarbonylContact C-O 3.58Å; I139-F152 WeakPolarHBondContact CA-O 3.21Å; I139-D153 HydrophobicContact CD1-CB 3.6Å; I139-W186 HydrophobicContact CG2-CH2 4.4Å; I139-W186 HydrophobicContact CG2-CZ2 4.23Å; I139-I208 HydrophobicContact CG2-CD1 4.43Å
140I98.8Very high98.4Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-121.8126.1179.4-60.3172.8000108.5V67 L79 I81 A130 R131 T142 V151 F152 Y154V67-I140 HydrophobicContact CG1-CD1 3.99Å; V67-I140 HydrophobicContact CG1-CG2 4.09Å; V67-I140 HydrophobicContact CG2-CD1 3.76Å; V67-I140 HydrophobicContact CG2-CG1 4.49Å; L79-I140 HydrophobicContact CD1-CG2 4.18Å; L79-I140 HydrophobicContact CD2-CB 4.31Å; L79-I140 HydrophobicContact CD2-CD1 4.48Å; L79-I140 HydrophobicContact CD2-CG2 4.07Å; I81-I140 HydrophobicContact CD1-CD1 4.14Å; I81-I140 HydrophobicContact CG1-CD1 4.43Å; A130-I140 HydrophobicContact CB-CG2 4.11Å; R131-I140 WeakPolarHBondContact O-CA 3.32Å; I140-T142 HydrophobicContact CG2-CG2 4.25Å; I140-V151 CarbonylContact O-C 3.46Å; I140-V151 WeakPolarHBondContact O-CA 3.48Å; I140-F152 PolarHBondContact N-O 3.18Å; I140-F152 PolarHBondContact O-N 2.66Å; I140-Y154 HydrophobicContact CD1-CD1 3.77Å; I140-Y154 HydrophobicContact CD1-CE1 4.32Å; I140-Y154 HydrophobicContact CG1-CD1 4.35Å
141A98.9Very high98.3Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-93.8144.4167.800000110.1A130 R131 L150 V151 L184 W186 L194A130-A141 WeakPolarHBondContact CA-O 3.44Å; R131-A141 PolarHBondContact N-O 3.41Å; R131-A141 PolarHBondContact O-N 3.13Å; A141-L150 CarbonylContact C-O 3.45Å; A141-L150 VanDerWaalsContact CA-O 3.24Å; A141-L150 WeakPolarHBondContact CA-O 3.36Å; A141-V151 HydrophobicContact CB-CG2 4.38Å; A141-L184 HydrophobicContact CB-CD1 4.47Å; A141-L184 HydrophobicContact CB-CD2 3.99Å; A141-L184 WeakPolarHBondContact O-CD2 3.45Å; A141-W186 HydrophobicContact CB-CZ2 3.57Å; A141-L194 HydrophobicContact CB-CD1 4.33Å; A141-L194 HydrophobicContact CB-CD2 3.6Å
142T98.9Very high98.3Very high0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-129.7143177.363.80000112.2L79 H123 V127 R129 A130 I140 V149 L150 F152L79-T142 HydrophobicContact CD1-CG2 3.99Å; L79-T142 HydrophobicContact CD2-CG2 4.1Å; H123-T142 WeakPolarHBondContact NE2-CB 2.89Å; H123-T142 PolarHBondContact NE2-OG1 3.36Å; V127-T142 HydrophobicContact CG1-CG2 4.03Å; R129-T142 CarbonylContact O-C 3.52Å; R129-T142 VanDerWaalsContact O-CA 3.25Å; R129-T142 WeakPolarHBondContact O-CA 3.32Å; A130-T142 HydrophobicContact CB-CG2 3.96Å; I140-T142 HydrophobicContact CG2-CG2 4.25Å; T142-V149 WeakPolarHBondContact O-CG1 3.3Å; T142-L150 PolarHBondContact N-O 2.82Å; T142-L150 PolarHBondContact O-N 2.89Å; T142-F152 HydrophobicContact CG2-CD2 4.23Å; T142-F152 HydrophobicContact CG2-CE2 4.26Å
143K98.9Very high98.2Very high3 Ų322.2 Ų22.21%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-86.8139.8166.2-67.8-71.2-69.9-179.70109.4N128 R129 V149 G181 L184 S196 A197N128-K143 HydrophobicContact CB-CB 3.83Å; N128-K143 PolarHBondContact N-O 3.25Å; R129-K143 HydrophobicContact CB-CB 4.41Å; R129-K143 HydrophobicContact CB-CG 4.26Å; R129-K143 PolarHBondContact O-N 3.06Å; K143-V149 HydrophobicContact CD-CG2 4Å; K143-G181 WeakPolarHBondContact CB-O 3.21Å; K143-G181 WeakPolarHBondContact CE-O 3.47Å; K143-L184 HydrophobicContact CD-CD1 4.07Å; K143-L184 HydrophobicContact CG-CB 4.17Å; K143-L184 HydrophobicContact CG-CD1 4.19Å; K143-L184 HydrophobicContact CG-CD2 4.3Å; K143-L184 HydrophobicContact CG-CG 4.46Å; K143-S196 PolarHBondContact NZ-OG 3.3Å; K143-A197 WeakPolarHBondContact CE-O 3.33Å; K143-A197 PolarHBondContact NZ-O 2.82Å
144T98.4Very high98.1Very high1 Ų122.4 Ų22.41%0.00613%0.13CC..  trans-114.1167.7179.573.40000110.2T146 D148 L150 E180T144-T146 PolarHBondContact O-N 3.18Å; T144-T146 VanDerWaalsContact O-N 3.09Å; T144-T146 PolarHBondContact OG1-N 3.01Å; T144-T146 VanDerWaalsContact OG1-N 3.13Å; T144-T146 PolarHBondContact OG1-O 2.92Å; T144-T146 PolarHBondContact OG1-OG1 2.95Å; T144-D148 WeakPolarHBondContact CG2-O 3.28Å; T144-D148 PolarHBondContact OG1-O 2.89Å; T144-L150 HydrophobicContact CG2-CD1 3.74Å; T144-L150 HydrophobicContact CG2-CG 3.65Å; T144-E180 WeakPolarHBondContact O-CB 3.33Å
145P97.4Very high98Very high39 Ų3923.8 Ų23.825%0.25314%0.138SC..SBendtrans-73.77.9171.2-1432.7000112.8E126E126-P145 HydrophobicContact CG-CG 3.75Å; E126-P145 WeakPolarHBondContact O-CD 3.35Å; E126-P145 WeakPolarHBondContact OE1-CB 3.34Å; E126-P145 WeakPolarHBondContact OE1-CG 3.33Å; E126-P145 VanDerWaalsContact OE2-CG 3.29Å; E126-P145 WeakPolarHBondContact OE2-CG 3.14Å
146T96.9Very high97.8Very high65 Ų6526.9 Ų26.940%0.39915%0.151SC..SBendtrans-117.9-177.4176.977.10000109.6T144 D148 E180T144-T146 PolarHBondContact O-N 3.18Å; T144-T146 VanDerWaalsContact O-N 3.09Å; T144-T146 PolarHBondContact OG1-N 3.01Å; T144-T146 VanDerWaalsContact OG1-N 3.13Å; T144-T146 PolarHBondContact OG1-O 2.92Å; T144-T146 PolarHBondContact OG1-OG1 2.95Å; T146-D148 PolarHBondContact O-N 2.91Å; T146-D148 PolarHBondContact OG1-N 2.94Å; T146-E180 WeakPolarHBondContact O-CA 3.4Å
147S97.4Very high97.5Very high36 Ų3625.2 Ų25.225%0.25214%0.141SC..SBendtrans-73-13.2177.861.40000115.3H177 K179S147-H177 VanDerWaalsContact CB-O 3.3Å; S147-H177 WeakPolarHBondContact CB-O 3.5Å; S147-K179 WeakPolarHBondContact CA-O 3.49Å
148D98Very high97.2Very high15 Ų1526.7 Ų26.78%0.0815%0.15CC..  trans-84.4138.9-175-70.8-9.9000110.8T144 T146 L150 R173 R175T144-D148 WeakPolarHBondContact CG2-O 3.28Å; T144-D148 PolarHBondContact OG1-O 2.89Å; T146-D148 PolarHBondContact O-N 2.91Å; T146-D148 PolarHBondContact OG1-N 2.94Å; D148-L150 HydrophobicContact CB-CD2 4.23Å; D148-R173 HydrophobicContact CB-CG 4.11Å; D148-R173 WeakPolarHBondContact OD2-CD 3.5Å; D148-R173 WeakPolarHBondContact OD2-CG 3.43Å; D148-R173 IonicContact OD2-CZ 2.71Å; D148-R173 IonicContact OD2-NE 3.46Å; D148-R173 IonicContact OD2-NH1 2.83Å; D148-R173 PolarHBondContact OD2-NH1 2.97Å; D148-R175 WeakPolarHBondContact OD1-CG 3.5Å; D148-R175 IonicContact OD1-NE 3.02Å; D148-R175 IonicContact OD2-NE 2.7Å
149V98.8Very high96.8Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-101.2129.3166.1179.50000107.4T142 K143 L174 L184 L194 W206T142-V149 WeakPolarHBondContact O-CG1 3.3Å; K143-V149 HydrophobicContact CD-CG2 4Å; V149-L174 HydrophobicContact CB-CB 4.14Å; V149-L174 HydrophobicContact CB-CD1 4.41Å; V149-L174 HydrophobicContact CG1-CD1 4.15Å; V149-L174 PolarHBondContact N-O 2.84Å; V149-L174 WeakPolarHBondContact O-CB 3.23Å; V149-L174 PolarHBondContact O-N 2.85Å; V149-L184 HydrophobicContact CG1-CD1 4.08Å; V149-L194 HydrophobicContact CG1-CD2 4.16Å; V149-W206 HydrophobicContact CB-CH2 4.44Å; V149-W206 HydrophobicContact CG2-CH2 3.83Å; V149-W206 HydrophobicContact CG2-CZ3 4.31Å
150L98.6Very high96.3Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-104.1149.4-176.6-53.8-175.5000110.4E124 A141 T142 T144 D148 F152 P170 R173E124-L150 HydrophobicContact CB-CD1 4.4Å; A141-L150 CarbonylContact C-O 3.45Å; A141-L150 VanDerWaalsContact CA-O 3.24Å; A141-L150 WeakPolarHBondContact CA-O 3.36Å; T142-L150 PolarHBondContact N-O 2.82Å; T142-L150 PolarHBondContact O-N 2.89Å; T144-L150 HydrophobicContact CG2-CD1 3.74Å; T144-L150 HydrophobicContact CG2-CG 3.65Å; D148-L150 HydrophobicContact CB-CD2 4.23Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.56Å; L150-F152 HydrophobicContact CB-CZ 4.03Å; L150-F152 HydrophobicContact CD1-CE2 4.2Å; L150-F152 HydrophobicContact CD1-CZ 3.97Å; L150-P170 HydrophobicContact CB-CB 4.07Å; L150-P170 HydrophobicContact CD1-CB 4.43Å; L150-P170 HydrophobicContact CD1-CG 4.44Å; L150-P170 HydrophobicContact CD2-CB 4.22Å; L150-P170 HydrophobicContact CD2-CG 4Å; L150-P170 HydrophobicContact CG-CB 4.46Å; L150-R173 HydrophobicContact CD2-CB 4.26Å; L150-R173 HydrophobicContact CD2-CG 3.99Å
151V98.3Very high95.3Very high4 Ų437.4 Ų37.42%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-126.3131.7174.3-175.20000108.8I139 I140 A141 D171 L172 L174 I208I139-V151 HydrophobicContact CG2-CG1 3.43Å; I139-V151 VanDerWaalsContact CG2-CG1 3.43Å; I140-V151 CarbonylContact O-C 3.46Å; I140-V151 WeakPolarHBondContact O-CA 3.48Å; A141-V151 HydrophobicContact CB-CG2 4.38Å; V151-D171 WeakPolarHBondContact O-CB 3.27Å; V151-D171 PolarHBondContact O-N 2.93Å; V151-L172 HydrophobicContact CB-CB 4Å; V151-L172 HydrophobicContact CG2-CB 4.27Å; V151-L172 PolarHBondContact N-O 2.86Å; V151-L172 PolarHBondContact O-N 3.2Å; V151-L172 VanDerWaalsContact O-N 3.13Å; V151-L174 HydrophobicContact CG2-CD1 3.73Å; V151-L174 HydrophobicContact CG2-CD2 4.22Å; V151-L174 HydrophobicContact CG2-CG 3.94Å; V151-I208 HydrophobicContact CG1-CD1 4.41Å
152F97.8Very high93.9Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-122.6138.5-180-61.8-89.3000110.2L79 I121 H123 I139 I140 T142 L150 H157 P170 D171L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.83Å; L79-F152 HydrophobicContact CD2-CG 4.02Å; I121-F152 HydrophobicContact CG2-CD1 3.88Å; I121-F152 HydrophobicContact CG2-CE1 3.91Å; H123-F152 AromaticContact CD2-CE2 3.78Å; H123-F152 AromaticContact CD2-CZ 3.91Å; I139-F152 CarbonylContact C-O 3.58Å; I139-F152 WeakPolarHBondContact CA-O 3.21Å; I140-F152 PolarHBondContact N-O 3.18Å; I140-F152 PolarHBondContact O-N 2.66Å; T142-F152 HydrophobicContact CG2-CD2 4.23Å; T142-F152 HydrophobicContact CG2-CE2 4.26Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.56Å; L150-F152 HydrophobicContact CB-CZ 4.03Å; L150-F152 HydrophobicContact CD1-CE2 4.2Å; L150-F152 HydrophobicContact CD1-CZ 3.97Å; F152-H157 AromaticContact CD1-NE2 3.98Å; F152-P170 HydrophobicContact CD1-CB 4.47Å; F152-P170 HydrophobicContact CE1-CB 3.93Å; F152-P170 HydrophobicContact CZ-CB 3.97Å; F152-D171 WeakPolarHBondContact CA-OD2 3.38Å
153D96.8Very high92.3Very high13 Ų1346.2 Ų46.27%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-102.697.3161-178.1-18.2000107.9C138 I139 T155 K156 H157 D171C138-D153 WeakPolarHBondContact O-CA 3.3Å; I139-D153 HydrophobicContact CD1-CB 3.6Å; D153-T155 PolarHBondContact O-N 3.26Å; D153-T155 WeakPolarHBondContact OD1-CB 3.29Å; D153-T155 PolarHBondContact OD1-N 2.91Å; D153-T155 PolarHBondContact OD1-OG1 3.16Å; D153-K156 HydrophobicContact CB-CB 4.5Å; D153-K156 HydrophobicContact CB-CD 4.02Å; D153-K156 HydrophobicContact CB-CG 4.13Å; D153-K156 WeakPolarHBondContact O-CB 3.44Å; D153-K156 PolarHBondContact O-N 2.98Å; D153-K156 WeakPolarHBondContact OD2-CE 3.21Å; D153-K156 IonicContact OD2-NZ 2.58Å; D153-K156 PolarHBondContact OD2-NZ 3.01Å; D153-H157 PolarHBondContact O-CD2 2.94Å; D153-H157 VanDerWaalsContact O-CD2 3.27Å; D153-D171 PolarHBondContact N-OD2 2.88Å
154Y96.3Very high90.9Very high15 Ų1552.4 Ų52.46%0.05930%0.298CS..G310 helixtrans-60.7-18.3-170.467.8-108.5000113.6L50 R65 I81 I119 P137 C138 I140 K156 H157L50-Y154 HydrophobicContact CD1-CE1 4.42Å; R65-Y154 PolarHBondContact NH1-OH 3.07Å; R65-Y154 PolarHBondContact NH2-OH 3.16Å; I81-Y154 HydrophobicContact CD1-CD1 3.31Å; I81-Y154 HydrophobicContact CD1-CD2 3.68Å; I81-Y154 HydrophobicContact CD1-CE1 3.79Å; I81-Y154 HydrophobicContact CD1-CE2 4.2Å; I81-Y154 HydrophobicContact CD1-CG 3.22Å; I119-Y154 HydrophobicContact CD1-CD2 3.56Å; I119-Y154 HydrophobicContact CD1-CE2 4.2Å; I119-Y154 HydrophobicContact CD1-CG 4.32Å; P137-Y154 WeakPolarHBondContact O-CE1 3.48Å; C138-Y154 HydrophobicContact CB-CE1 4.28Å; C138-Y154 WeakPolarHBondContact O-CD1 3.42Å; C138-Y154 PolarHBondContact O-N 3.4Å; I140-Y154 HydrophobicContact CD1-CD1 3.77Å; I140-Y154 HydrophobicContact CD1-CE1 4.32Å; I140-Y154 HydrophobicContact CG1-CD1 4.35Å; Y154-K156 VanDerWaalsContact C-N 3.27Å; Y154-K156 PolarHBondContact O-N 2.86Å; Y154-H157 PolarHBondContact O-N 2.82Å
155T95.8Very high89.7Confident87 Ų8756.1 Ų56.153%0.53432%0.324SS..G310 helixtrans-74.3-18.7177.572.30000113.2C138 D153C138-T155 HydrophobicContact CB-CG2 3.94Å; D153-T155 PolarHBondContact O-N 3.26Å; D153-T155 WeakPolarHBondContact OD1-CB 3.29Å; D153-T155 PolarHBondContact OD1-N 2.91Å; D153-T155 PolarHBondContact OD1-OG1 3.16Å
156K94.1Very high88.9Confident138 Ų13855 Ų5560%0.632%0.319SS*.G310 helixtrans-91-5.4176.5-62.3-176.7-173.8122.90113.2D153 Y154 D171D153-K156 HydrophobicContact CB-CB 4.5Å; D153-K156 HydrophobicContact CB-CD 4.02Å; D153-K156 HydrophobicContact CB-CG 4.13Å; D153-K156 WeakPolarHBondContact O-CB 3.44Å; D153-K156 PolarHBondContact O-N 2.98Å; D153-K156 WeakPolarHBondContact OD2-CE 3.21Å; D153-K156 IonicContact OD2-NZ 2.58Å; D153-K156 PolarHBondContact OD2-NZ 3.01Å; Y154-K156 VanDerWaalsContact C-N 3.27Å; Y154-K156 PolarHBondContact O-N 2.86Å; K156-D171 WeakPolarHBondContact CD-OD1 3.48Å
157H92.8Very high88.6Confident30 Ų3057.8 Ų57.814%0.13933%0.327CS..SBendtrans-103.4147.9178.2-69.7-85.1000110.6I121 F152 D153 Y154 T169 D171I121-H157 HydrophobicContact CD1-CB 3.79Å; I121-H157 HydrophobicContact CG1-CB 3.9Å; F152-H157 AromaticContact CD1-NE2 3.98Å; D153-H157 PolarHBondContact O-CD2 2.94Å; D153-H157 VanDerWaalsContact O-CD2 3.27Å; Y154-H157 PolarHBondContact O-N 2.82Å; H157-T169 PolarHBondContact CE1-O 3.44Å; H157-T169 VanDerWaalsContact CE1-O 3.23Å; H157-D171 IonicContact CD2-OD2 2.67Å; H157-D171 IonicContact NE2-OD2 2.97Å; H157-D171 PolarHBondContact NE2-OD2 2.81Å
158P91.9Very high88.4Confident62 Ų6256.6 Ų56.640%0.40332%0.319SS..  trans-64.9149.5171.429.8-34.8000110.4K160 V162P158-K160 WeakPolarHBondContact CB-O 3.39Å; P158-K160 WeakPolarHBondContact CG-O 3.33Å; P158-K160 PolarHBondContact O-N 3.01Å; P158-V162 HydrophobicContact CB-CG2 3.61Å; P158-V162 HydrophobicContact CG-CB 4.33Å; P158-V162 HydrophobicContact CG-CG2 3.56Å
159S90.4Very high88.1Confident72 Ų7258.9 Ų58.950%0.50333%0.334SS..SBendtrans-62.8-26.1-179.953.60000113.7E118 I119 K120E118-S159 WeakPolarHBondContact O-CB 3.38Å; I119-S159 CarbonylContact C-O 2.99Å; I119-S159 VanDerWaalsContact CA-O 3.26Å; I119-S159 WeakPolarHBondContact CA-O 3.34Å; K120-S159 PolarHBondContact N-O 3.3Å
160K86.9Confident88Confident160 Ų16059.4 Ų59.470%0.69634%0.337SS*.SBendtrans-123.5144.5170.9-65.4-176178.5-176.10108.9P158 V162P158-K160 WeakPolarHBondContact CB-O 3.39Å; P158-K160 WeakPolarHBondContact CG-O 3.33Å; P158-K160 PolarHBondContact O-N 3.01Å; K160-V162 PolarHBondContact O-N 3.48Å
161P78.9Confident87.8Confident45 Ų4561.3 Ų61.329%0.29235%0.347SS..  trans-55.5118.9176.3-22.231.9000109.6K120 N122 D163K120-P161 HydrophobicContact CB-CG 4.13Å; K120-P161 VanDerWaalsContact O-CD 3.31Å; K120-P161 WeakPolarHBondContact O-CD 3.35Å; K120-P161 WeakPolarHBondContact O-CG 3.5Å; N122-P161 VanDerWaalsContact OD1-CB 3.3Å; N122-P161 WeakPolarHBondContact OD1-CB 3.28Å; N122-P161 WeakPolarHBondContact OD1-CG 3.38Å; P161-D163 VanDerWaalsContact C-N 3.35Å
162V67.6Low87.7Confident118 Ų11862.5 Ų62.572%0.71535%0.353SS*.  trans-81.2-26.1178.8175.80000110.3P158 K160 P164P158-V162 HydrophobicContact CB-CG2 3.61Å; P158-V162 HydrophobicContact CG-CB 4.33Å; P158-V162 HydrophobicContact CG-CG2 3.56Å; K160-V162 PolarHBondContact O-N 3.48Å; V162-P164 VanDerWaalsContact O-CD 3.3Å; V162-P164 WeakPolarHBondContact O-CD 3.46Å
163D66.6Low87.7Confident67 Ų6764.5 Ų64.536%0.35836%0.361SS..  trans-95.3109.5-178.1-164-7.2000111.6P161 S165 G166P161-D163 VanDerWaalsContact C-N 3.35Å; D163-S165 PolarHBondContact O-N 2.88Å; D163-S165 WeakPolarHBondContact OD1-CB 3.33Å; D163-S165 PolarHBondContact OD1-N 3.47Å; D163-S165 PolarHBondContact OD1-OG 3.4Å; D163-S165 PolarHBondContact OD2-OG 2.98Å; D163-G166 PolarHBondContact O-N 2.91Å
164P68.6Low87.8Confident134 Ų13463.9 Ų63.987%0.8736%0.357SS*.THydrogen-bonded Turntrans-69.3-6.4172.531.3-35.6000112.8V162 G166V162-P164 VanDerWaalsContact O-CD 3.3Å; V162-P164 WeakPolarHBondContact O-CD 3.46Å; P164-G166 PolarHBondContact O-N 3.13Å
165S74.3Confident87.9Confident79 Ų7968.1 Ų68.155%0.55237%0.373SS*.THydrogen-bonded Turntrans-67-21.4175.782.20000113.3D163 E167D163-S165 PolarHBondContact O-N 2.88Å; D163-S165 WeakPolarHBondContact OD1-CB 3.33Å; D163-S165 PolarHBondContact OD1-N 3.47Å; D163-S165 PolarHBondContact OD1-OG 3.4Å; D163-S165 PolarHBondContact OD2-OG 2.98Å; S165-E167 VanDerWaalsContact C-N 3.32Å; S165-E167 WeakPolarHBondContact OG-CB 3.19Å; S165-E167 PolarHBondContact OG-N 3.2Å; S165-E167 VanDerWaalsContact OG-N 3.11Å
166G80.7Confident88Confident14 Ų1465 Ų6514%0.14436%0.359CS..  trans80.57-173.600000114.3Q76 N122 D163 P164 C168Q76-G166 PolarHBondContact OE1-O 3.47Å; Q76-G166 VanDerWaalsContact OE1-O 3.05Å; N122-G166 WeakPolarHBondContact ND2-CA 3.39Å; D163-G166 PolarHBondContact O-N 2.91Å; P164-G166 PolarHBondContact O-N 3.13Å; G166-C168 PolarHBondContact O-N 2.72Å
167E89.8Confident88.2Confident124 Ų12458.7 Ų58.758%0.57933%0.331SS*.  trans-60.1125.9-179.1-169.3175.6-174.300111.5N122 S165 T169N122-E167 WeakPolarHBondContact CB-O 3.4Å; N122-E167 PolarHBondContact ND2-O 3.46Å; S165-E167 VanDerWaalsContact C-N 3.32Å; S165-E167 WeakPolarHBondContact OG-CB 3.19Å; S165-E167 PolarHBondContact OG-N 3.2Å; S165-E167 VanDerWaalsContact OG-N 3.11Å; E167-T169 HydrophobicContact CG-CG2 4.19Å
168C92.9Very high88.5Confident11 Ų1164.5 Ų64.57%0.07436%0.359CS..  trans-87.6126.9174.1-179.30000109.5N122 E124 G166 P170N122-C168 PolarHBondContact O-SG 3.27Å; N122-C168 VanDerWaalsContact O-SG 3.35Å; E124-C168 HydrophobicContact CB-CB 4.3Å; E124-C168 HydrophobicContact CG-CB 3.6Å; G166-C168 PolarHBondContact O-N 2.72Å; C168-P170 WeakPolarHBondContact O-CD 3.38Å
169T93.1Very high88.8Confident64 Ų6466.7 Ų66.739%0.39336%0.362SS..  trans-124.968.6-175.151.90000111.8H157 E167H157-T169 PolarHBondContact CE1-O 3.44Å; H157-T169 VanDerWaalsContact CE1-O 3.23Å; E167-T169 HydrophobicContact CG-CG2 4.19Å
170P95.3Very high89.2Confident10 Ų1065.9 Ų65.97%0.06535%0.35CS..  trans-61.7150.4-178.629.6-36.7000111.7L150 F152 C168L150-P170 HydrophobicContact CB-CB 4.07Å; L150-P170 HydrophobicContact CD1-CB 4.43Å; L150-P170 HydrophobicContact CD1-CG 4.44Å; L150-P170 HydrophobicContact CD2-CB 4.22Å; L150-P170 HydrophobicContact CD2-CG 4Å; L150-P170 HydrophobicContact CG-CB 4.46Å; F152-P170 HydrophobicContact CD1-CB 4.47Å; F152-P170 HydrophobicContact CE1-CB 3.93Å; F152-P170 HydrophobicContact CZ-CB 3.97Å; C168-P170 WeakPolarHBondContact O-CD 3.38Å
171D95.1Very high89.7Confident41 Ų4158.3 Ų58.322%0.21932%0.317CS..SBendtrans-70.9-40.6174.9-70.6-90.6000110.5V151 F152 D153 K156 H157V151-D171 WeakPolarHBondContact O-CB 3.27Å; V151-D171 PolarHBondContact O-N 2.93Å; F152-D171 WeakPolarHBondContact CA-OD2 3.38Å; D153-D171 PolarHBondContact N-OD2 2.88Å; K156-D171 WeakPolarHBondContact CD-OD1 3.48Å; H157-D171 IonicContact CD2-OD2 2.67Å; H157-D171 IonicContact NE2-OD2 2.97Å; H157-D171 PolarHBondContact NE2-OD2 2.81Å
172L96.8Very high90.7Very high28 Ų2860.1 Ų60.115%0.14732%0.319CS..EExtended strand (participates in β ladder)trans-134.8147.9168.6-54.5168.2000111.2V151 L174 I208 V211 K216 V218V151-L172 HydrophobicContact CB-CB 4Å; V151-L172 HydrophobicContact CG2-CB 4.27Å; V151-L172 PolarHBondContact N-O 2.86Å; V151-L172 PolarHBondContact O-N 3.2Å; V151-L172 VanDerWaalsContact O-N 3.13Å; L172-L174 HydrophobicContact CB-CD2 4.07Å; L172-I208 HydrophobicContact CD1-CB 3.85Å; L172-I208 HydrophobicContact CD1-CD1 4.12Å; L172-I208 HydrophobicContact CD1-CG2 3.9Å; L172-V211 HydrophobicContact CD2-CG1 4.18Å; L172-K216 CarbonylContact C-O 3.51Å; L172-K216 WeakPolarHBondContact CA-O 3.44Å; L172-V218 HydrophobicContact CD2-CG2 4.23Å
173R97.4Very high92.1Very high43 Ų4354.5 Ų54.516%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-118.8111.9171.9-179.5176.2-71.4-102.31.4108.2E124 D148 L150 K216 I217 V218E124-R173 IonicContact OE1-CZ 3.93Å; E124-R173 IonicContact OE1-NH2 3.76Å; E124-R173 PolarHBondContact OE1-NH2 2.88Å; E124-R173 IonicContact OE2-CZ 3.87Å; E124-R173 VanDerWaalsContact OE2-CZ 3.3Å; E124-R173 IonicContact OE2-NH1 3.52Å; E124-R173 PolarHBondContact OE2-NH1 2.91Å; E124-R173 IonicContact OE2-NH2 3.97Å; E124-R173 PolarHBondContact OE2-NH2 2.83Å; D148-R173 HydrophobicContact CB-CG 4.11Å; D148-R173 WeakPolarHBondContact OD2-CD 3.5Å; D148-R173 WeakPolarHBondContact OD2-CG 3.43Å; D148-R173 IonicContact OD2-CZ 2.71Å; D148-R173 IonicContact OD2-NE 3.46Å; D148-R173 IonicContact OD2-NH1 2.83Å; D148-R173 PolarHBondContact OD2-NH1 2.97Å; L150-R173 HydrophobicContact CD2-CB 4.26Å; L150-R173 HydrophobicContact CD2-CG 3.99Å; R173-K216 PolarHBondContact N-O 3.47Å; R173-I217 HydrophobicContact CB-CG1 4.43Å; R173-I217 VanDerWaalsContact O-CA 3.3Å; R173-I217 WeakPolarHBondContact O-CA 3.43Å; R173-V218 PolarHBondContact O-N 2.84Å
174L98.2Very high93.7Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-96125.2-176.7-42.1-179.8000109.1V149 V151 L172 L194 W206 I208 V218V149-L174 HydrophobicContact CB-CB 4.14Å; V149-L174 HydrophobicContact CB-CD1 4.41Å; V149-L174 HydrophobicContact CG1-CD1 4.15Å; V149-L174 PolarHBondContact N-O 2.84Å; V149-L174 WeakPolarHBondContact O-CB 3.23Å; V149-L174 PolarHBondContact O-N 2.85Å; V151-L174 HydrophobicContact CG2-CD1 3.73Å; V151-L174 HydrophobicContact CG2-CD2 4.22Å; V151-L174 HydrophobicContact CG2-CG 3.94Å; L172-L174 HydrophobicContact CB-CD2 4.07Å; L174-L194 HydrophobicContact CD1-CD2 3.65Å; L174-W206 HydrophobicContact CB-CD2 3.9Å; L174-W206 HydrophobicContact CB-CG 4.04Å; L174-W206 HydrophobicContact CB-CZ2 4.07Å; L174-W206 HydrophobicContact CD1-CB 4.25Å; L174-W206 HydrophobicContact CD1-CD2 4.02Å; L174-W206 HydrophobicContact CD1-CE3 4.18Å; L174-W206 HydrophobicContact CD1-CG 4.05Å; L174-W206 HydrophobicContact CG-CG 4.44Å; L174-I208 HydrophobicContact CD1-CG2 4.33Å; L174-I208 HydrophobicContact CD2-CG2 3.73Å; L174-V218 CarbonylContact C-O 3.58Å; L174-V218 VanDerWaalsContact CA-O 3.31Å; L174-V218 WeakPolarHBondContact CA-O 3.35Å; L174-V218 HydrophobicContact CD2-CB 3.72Å; L174-V218 HydrophobicContact CD2-CG1 4.47Å; L174-V218 HydrophobicContact CD2-CG2 3.92Å
175R97.8Very high95.1Very high103 Ų10346.1 Ų46.139%0.38923%0.234SC..EExtended strand (participates in β ladder)trans-114.2147.3-176.8-69.3-171170.3164.80.4111.3D148 W206 I217 V218 D219 A220D148-R175 WeakPolarHBondContact OD1-CG 3.5Å; D148-R175 IonicContact OD1-NE 3.02Å; D148-R175 IonicContact OD2-NE 2.7Å; R175-W206 PolarHBondContact O-NE1 2.96Å; R175-I217 HydrophobicContact CG-CG2 4.15Å; R175-V218 PolarHBondContact N-O 3.4Å; R175-D219 CarbonylContact O-C 3.59Å; R175-D219 WeakPolarHBondContact O-CA 3.36Å; R175-A220 PolarHBondContact O-N 2.83Å
176G98.1Very high96.3Very high23 Ų2343 Ų4324%0.23721%0.21CC..  trans167.9-41.6176.500000112.4
177H98.7Very high97.1Very high4 Ų442.3 Ų42.32%0.01920%0.203CC..  trans-72.5170.6176.9-67.7-62.4000112.8S147 S196 S198 D200 T202 C204 W206S147-H177 VanDerWaalsContact CB-O 3.3Å; S147-H177 WeakPolarHBondContact CB-O 3.5Å; H177-S196 PolarHBondContact CD2-OG 3.1Å; H177-S196 WeakPolarHBondContact NE2-CB 3.34Å; H177-S196 PolarHBondContact NE2-O 2.8Å; H177-S196 PolarHBondContact NE2-OG 2.79Å; H177-S198 VanDerWaalsContact CE1-CB 3.4Å; H177-S198 WeakPolarHBondContact CE1-CB 3.26Å; H177-S198 WeakPolarHBondContact ND1-CB 3.44Å; H177-D200 WeakPolarHBondContact CA-OD2 3.48Å; H177-D200 VanDerWaalsContact CB-OD2 3.27Å; H177-D200 WeakPolarHBondContact CB-OD2 3.43Å; H177-D200 IonicContact CG-OD2 3.64Å; H177-D200 IonicContact ND1-OD1 3.43Å; H177-D200 PolarHBondContact ND1-OD1 3.27Å; H177-D200 IonicContact ND1-OD2 3.22Å; H177-D200 PolarHBondContact ND1-OD2 3.27Å; H177-T202 PolarHBondContact CE1-O 2.71Å; H177-T202 PolarHBondContact ND1-OG1 3.46Å; H177-C204 VanDerWaalsContact CE1-SG 3.58Å; H177-W206 AromaticContact CD2-CH2 3.84Å; H177-W206 AromaticContact NE2-CH2 3.88Å
178Q98.4Very high97.5Very high153 Ų15338.3 Ų38.372%0.71519%0.188SC*.SBendtrans-121-10.8174.8-57.7-56.9-37.800113.2D200Q178-D200 HydrophobicContact CB-CB 4.16Å; Q178-D200 PolarHBondContact N-OD2 2.78Å
179K98.7Very high97.8Very high107 Ų10741.2 Ų41.247%0.46520%0.203SC..SBendtrans-140.2173.8177.2-65.3-176.6-175.5171.50110.1S147 S198 D199 D200S147-K179 WeakPolarHBondContact CA-O 3.49Å; K179-S198 PolarHBondContact O-OG 3.45Å; K179-D199 HydrophobicContact CB-CB 3.92Å; K179-D199 HydrophobicContact CD-CB 3.76Å; K179-D199 PolarHBondContact NZ-O 2.88Å; K179-D200 HydrophobicContact CB-CB 4.28Å; K179-D200 HydrophobicContact CG-CB 4.33Å
180E98.5Very high98Very high56 Ų5641.2 Ų41.226%0.26220%0.2SC..  trans-66.6-174.5172.770.1177.5130.900113N128 T144 T146 S198 D199N128-E180 PolarHBondContact ND2-OE2 2.84Å; T144-E180 WeakPolarHBondContact O-CB 3.33Å; T146-E180 WeakPolarHBondContact O-CA 3.4Å; E180-S198 VanDerWaalsContact O-CA 3.31Å; E180-S198 WeakPolarHBondContact O-CA 3.23Å; E180-S198 VanDerWaalsContact O-CB 3.3Å; E180-S198 WeakPolarHBondContact O-CB 3.44Å; E180-S198 PolarHBondContact O-OG 2.83Å; E180-D199 PolarHBondContact O-N 3.45Å; E180-D199 VanDerWaalsContact O-N 3.09Å
181G98.5Very high98.1Very high0 Ų043.7 Ų43.70%022%0.218CC..  trans174.2-174.5168.900000111.7N128 K143N128-G181 PolarHBondContact ND2-O 3.37Å; K143-G181 WeakPolarHBondContact CB-O 3.21Å; K143-G181 WeakPolarHBondContact CE-O 3.47Å
182Y98.7Very high98.2Very high84 Ų8441.9 Ų41.933%0.32921%0.208SC..  trans-120.2-41.8-174.5-65.4-91.4000113.4N128 R129 L184N128-Y182 HydrophobicContact CB-CD1 3.82Å; N128-Y182 HydrophobicContact CB-CE1 3.81Å; R129-Y182 WeakPolarHBondContact CB-O 3.5Å; R129-Y182 WeakPolarHBondContact CD-O 3.5Å; R129-Y182 PolarHBondContact NE-O 2.6Å; R129-Y182 PolarHBondContact NH1-O 3.36Å; Y182-L184 PolarHBondContact O-N 3.25Å
183G98.7Very high98.3Very high0 Ų041 Ų410%021%0.205CC..  trans-54.5129-179.100000114.1S196 A197 E232 D233G183-S196 VanDerWaalsContact O-CA 3.31Å; G183-S196 WeakPolarHBondContact O-CA 3.42Å; G183-A197 PolarHBondContact O-N 3.41Å; G183-E232 WeakPolarHBondContact CA-O 3.26Å; G183-E232 PolarHBondContact N-O 2.87Å; G183-D233 WeakPolarHBondContact CA-OD1 3.28Å
184L98.9Very high98.4Very high7 Ų739 Ų394%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-156.8121.7-177.1-165.971.4000110.4R129 R131 A141 K143 V149 Y182 L194 L195R129-L184 HydrophobicContact CG-CB 4.39Å; R131-L184 HydrophobicContact CB-CD2 4.11Å; R131-L184 HydrophobicContact CG-CB 4.47Å; R131-L184 HydrophobicContact CG-CD2 4.17Å; A141-L184 HydrophobicContact CB-CD1 4.47Å; A141-L184 HydrophobicContact CB-CD2 3.99Å; A141-L184 WeakPolarHBondContact O-CD2 3.45Å; K143-L184 HydrophobicContact CD-CD1 4.07Å; K143-L184 HydrophobicContact CG-CB 4.17Å; K143-L184 HydrophobicContact CG-CD1 4.19Å; K143-L184 HydrophobicContact CG-CD2 4.3Å; K143-L184 HydrophobicContact CG-CG 4.46Å; V149-L184 HydrophobicContact CG1-CD1 4.08Å; Y182-L184 PolarHBondContact O-N 3.25Å; L184-L194 HydrophobicContact CD1-CD1 3.79Å; L184-L194 HydrophobicContact CD1-CD2 4.15Å; L184-L194 HydrophobicContact CD1-CG 4.18Å; L184-L194 HydrophobicContact CG-CD1 4.06Å; L184-L195 WeakPolarHBondContact CA-O 3.46Å
185S98.9Very high98.4Very high17 Ų1739 Ų3912%0.11920%0.197CC..EExtended strand (participates in β ladder)trans-147.5123.1-177.3-174.70000113.1L195 V234 W236S185-L195 PolarHBondContact N-O 2.96Å; S185-L195 PolarHBondContact O-N 2.94Å; S185-V234 WeakPolarHBondContact CB-O 3.25Å; S185-W236 PolarHBondContact O-NE1 2.93Å; S185-W236 VanDerWaalsContact O-NE1 3.15Å; S185-W236 PolarHBondContact OG-N 3.23Å; S185-W236 VanDerWaalsContact OG-N 3.11Å
186W98.9Very high98.4Very high13 Ų1334.1 Ų34.15%0.04918%0.178CC..EExtended strand (participates in β ladder)trans-81.4138.6170.7-72.4103.6000110.7R131 Y132 M133 P134 I139 A141 P188 L194 I208R131-W186 PolarHBondContact O-NE1 3.04Å; Y132-W186 VanDerWaalsContact C-CD1 3.47Å; M133-W186 HydrophobicContact CB-CD2 3.8Å; M133-W186 HydrophobicContact CB-CE3 4.14Å; M133-W186 HydrophobicContact CB-CG 4.18Å; M133-W186 HydrophobicContact CB-CH2 4.49Å; M133-W186 HydrophobicContact CB-CZ2 4.15Å; M133-W186 HydrophobicContact CB-CZ3 4.48Å; M133-W186 HydrophobicContact CG-CD2 3.93Å; M133-W186 HydrophobicContact CG-CE3 3.81Å; M133-W186 HydrophobicContact CG-CG 4.4Å; M133-W186 HydrophobicContact CG-CZ3 4.21Å; M133-W186 HydrophobicContact SD-CE3 3.99Å; M133-W186 HydrophobicContact SD-CH2 4.29Å; M133-W186 HydrophobicContact SD-CZ3 3.83Å; P134-W186 HydrophobicContact CG-CB 4.41Å; I139-W186 HydrophobicContact CG2-CH2 4.4Å; I139-W186 HydrophobicContact CG2-CZ2 4.23Å; A141-W186 HydrophobicContact CB-CZ2 3.57Å; W186-P188 WeakPolarHBondContact O-CD 3.41Å; W186-L194 HydrophobicContact CD2-CB 4.34Å; W186-L194 HydrophobicContact CD2-CD1 3.75Å; W186-L194 HydrophobicContact CE3-CB 3.85Å; W186-L194 HydrophobicContact CE3-CD1 4.15Å; W186-L194 HydrophobicContact CG-CD1 4Å; W186-L194 HydrophobicContact CH2-CB 4.17Å; W186-L194 HydrophobicContact CH2-CD2 4.12Å; W186-L194 HydrophobicContact CZ2-CD1 4.31Å; W186-L194 HydrophobicContact CZ2-CD2 4.11Å; W186-L194 HydrophobicContact CZ3-CB 3.75Å; W186-I208 HydrophobicContact CH2-CD1 3.59Å; W186-I208 HydrophobicContact CH2-CG1 4.15Å; W186-I208 HydrophobicContact CZ3-CD1 4Å; W186-I208 HydrophobicContact CZ3-CG1 4.11Å
187N98.8Very high98.5Very high0 Ų033 Ų330%017%0.167CC..  trans-73.4120173.5-167.8-45.8000109Q135 N189 L190 C193 W236 E241Q135-N187 PolarHBondContact NE2-O 2.94Å; N187-N189 VanDerWaalsContact C-N 3.26Å; N187-N189 PolarHBondContact O-N 3.42Å; N187-N189 WeakPolarHBondContact OD1-CA 3.43Å; N187-N189 WeakPolarHBondContact OD1-CB 3.2Å; N187-N189 PolarHBondContact OD1-N 2.87Å; N187-L190 HydrophobicContact CB-CB 4.27Å; N187-L190 PolarHBondContact OD1-N 2.82Å; N187-C193 HydrophobicContact CB-CB 3.73Å; N187-C193 PolarHBondContact N-O 3.15Å; N187-W236 VanDerWaalsContact CA-CD1 3.44Å; N187-W236 HydrophobicContact CB-CD2 3.81Å; N187-W236 HydrophobicContact CB-CE3 4.48Å; N187-W236 HydrophobicContact CB-CG 3.93Å; N187-W236 HydrophobicContact CB-CZ2 4.13Å; N187-W236 VanDerWaalsContact ND2-CZ3 3.3Å; N187-W236 WeakPolarHBondContact ND2-CZ3 3.15Å; N187-E241 PolarHBondContact ND2-O 3.3Å
188P98.2Very high98.5Very high41 Ų4132.8 Ų32.827%0.26617%0.166SC..SBendtrans-73-19.3179.828.5-33.5000113P134 Q135 W186 L238P134-P188 HydrophobicContact CG-CB 4.48Å; Q135-P188 PolarHBondContact NE2-O 2.61Å; W186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-L238 HydrophobicContact CG-CD2 4.13Å
189N98.3Very high98.5Very high72 Ų7227.3 Ų27.339%0.38514%0.142SC..SBendtrans-97.4-24.6-177.3-60.9-64.8000113.2N187 L238 L239 E241N187-N189 VanDerWaalsContact C-N 3.26Å; N187-N189 PolarHBondContact O-N 3.42Å; N187-N189 WeakPolarHBondContact OD1-CA 3.43Å; N187-N189 WeakPolarHBondContact OD1-CB 3.2Å; N187-N189 PolarHBondContact OD1-N 2.87Å; N189-L238 PolarHBondContact ND2-O 3.28Å; N189-L239 PolarHBondContact ND2-O 2.98Å; N189-E241 HydrophobicContact CB-CB 3.75Å
190L97.9Very high98.5Very high63 Ų6323.2 Ų23.233%0.3313%0.125SC..SBendtrans-121.4107178.8-66.1174.5000111N187 G192 C193 E241N187-L190 HydrophobicContact CB-CB 4.27Å; N187-L190 PolarHBondContact OD1-N 2.82Å; L190-G192 PolarHBondContact O-N 2.88Å; L190-C193 HydrophobicContact CB-CB 4.09Å; L190-C193 PolarHBondContact O-N 2.92Å; L190-E241 HydrophobicContact CD1-CB 3.97Å; L190-E241 HydrophobicContact CD1-CG 4.29Å; L190-E241 WeakPolarHBondContact CD2-OE2 3.4Å; L190-E241 HydrophobicContact CG-CB 3.96Å
191S97.6Very high98.5Very high63 Ų6324.1 Ų24.144%0.44113%0.129SC..THydrogen-bonded Turntrans-58.9133.5179.8-174.10000111.7C193S191-C193 VanDerWaalsContact C-N 3.27Å; S191-C193 PolarHBondContact O-N 3.03Å
192G96.8Very high98.5Very high2 Ų225.2 Ų25.22%0.02114%0.136CC..THydrogen-bonded Turntrans80.6-2.2177.300000115.1M133 L190 D207 I208M133-G192 PolarHBondContact SD-N 2.93Å; M133-G192 VanDerWaalsContact SD-N 3.41Å; L190-G192 PolarHBondContact O-N 2.88Å; G192-D207 WeakPolarHBondContact O-CA 3.41Å; G192-I208 VanDerWaalsContact CA-CG1 3.49Å; G192-I208 WeakPolarHBondContact O-CG1 3.22Å; G192-I208 PolarHBondContact O-N 2.87Å
193C98.3Very high98.6Very high11 Ų1121.2 Ų21.27%0.07412%0.12CC..EExtended strand (participates in β ladder)trans-84.6118.9174.1-74.60000110.7N187 L190 S191 W206 W236N187-C193 HydrophobicContact CB-CB 3.73Å; N187-C193 PolarHBondContact N-O 3.15Å; L190-C193 HydrophobicContact CB-CB 4.09Å; L190-C193 PolarHBondContact O-N 2.92Å; S191-C193 VanDerWaalsContact C-N 3.27Å; S191-C193 PolarHBondContact O-N 3.03Å; C193-W206 WeakPolarHBondContact CA-O 3.31Å; C193-W236 HydrophobicContact CB-CZ2 4.45Å
194L98.8Very high98.6Very high0 Ų021.2 Ų21.20%012%0.12CC..EExtended strand (participates in β ladder)trans-126.5131.7-176.5179.263.5000110.7A141 V149 L174 L184 W186 L205 W206A141-L194 HydrophobicContact CB-CD1 4.33Å; A141-L194 HydrophobicContact CB-CD2 3.6Å; V149-L194 HydrophobicContact CG1-CD2 4.16Å; L174-L194 HydrophobicContact CD1-CD2 3.65Å; L184-L194 HydrophobicContact CD1-CD1 3.79Å; L184-L194 HydrophobicContact CD1-CD2 4.15Å; L184-L194 HydrophobicContact CD1-CG 4.18Å; L184-L194 HydrophobicContact CG-CD1 4.06Å; W186-L194 HydrophobicContact CD2-CB 4.34Å; W186-L194 HydrophobicContact CD2-CD1 3.75Å; W186-L194 HydrophobicContact CE3-CB 3.85Å; W186-L194 HydrophobicContact CE3-CD1 4.15Å; W186-L194 HydrophobicContact CG-CD1 4Å; W186-L194 HydrophobicContact CH2-CB 4.17Å; W186-L194 HydrophobicContact CH2-CD2 4.12Å; W186-L194 HydrophobicContact CZ2-CD1 4.31Å; W186-L194 HydrophobicContact CZ2-CD2 4.11Å; W186-L194 HydrophobicContact CZ3-CB 3.75Å; L194-L205 WeakPolarHBondContact O-CA 3.35Å; L194-L205 WeakPolarHBondContact O-CD1 3.34Å; L194-W206 PolarHBondContact N-O 3Å; L194-W206 PolarHBondContact O-N 2.92Å
195L98.9Very high98.6Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-101.1146.5168.3-70.9169.6000110.7L184 S185 I203 C204 L205 F224 V234 W236 F244L184-L195 WeakPolarHBondContact CA-O 3.46Å; S185-L195 PolarHBondContact N-O 2.96Å; S185-L195 PolarHBondContact O-N 2.94Å; L195-I203 HydrophobicContact CD2-CG2 3.91Å; L195-C204 WeakPolarHBondContact CA-O 3.27Å; L195-L205 HydrophobicContact CD2-CB 3.96Å; L195-L205 HydrophobicContact CD2-CD1 4Å; L195-L205 HydrophobicContact CD2-CG 4.5Å; L195-L205 HydrophobicContact CG-CD1 4.42Å; L195-F224 HydrophobicContact CD2-CE2 4.5Å; L195-V234 HydrophobicContact CB-CB 4.34Å; L195-V234 HydrophobicContact CB-CG2 3.92Å; L195-W236 HydrophobicContact CD1-CD2 3.66Å; L195-W236 HydrophobicContact CD1-CE3 4.29Å; L195-W236 HydrophobicContact CD1-CG 4.02Å; L195-W236 HydrophobicContact CD1-CH2 4.29Å; L195-W236 HydrophobicContact CD1-CZ2 3.68Å; L195-W236 HydrophobicContact CD2-CZ2 4.11Å; L195-W236 HydrophobicContact CG-CD2 4.36Å; L195-W236 VanDerWaalsContact CG-CE2 3.48Å; L195-W236 HydrophobicContact CG-CH2 4.47Å; L195-W236 HydrophobicContact CG-CZ2 3.58Å; L195-F244 HydrophobicContact CD1-CB 3.53Å; L195-F244 HydrophobicContact CD1-CD1 3.93Å; L195-F244 HydrophobicContact CD1-CD2 3.58Å; L195-F244 HydrophobicContact CD1-CE2 4.19Å; L195-F244 HydrophobicContact CD1-CG 3.42Å; L195-F244 VanDerWaalsContact CD1-CG 3.42Å; L195-F244 HydrophobicContact CD2-CE1 4.39Å; L195-F244 HydrophobicContact CD2-CE2 4.34Å; L195-F244 HydrophobicContact CD2-CZ 4.27Å
196S98.9Very high98.5Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-137.8139.6171.9166.80000110.8K143 H177 G183 I203 C204K143-S196 PolarHBondContact NZ-OG 3.3Å; H177-S196 PolarHBondContact CD2-OG 3.1Å; H177-S196 WeakPolarHBondContact NE2-CB 3.34Å; H177-S196 PolarHBondContact NE2-O 2.8Å; H177-S196 PolarHBondContact NE2-OG 2.79Å; G183-S196 VanDerWaalsContact O-CA 3.31Å; G183-S196 WeakPolarHBondContact O-CA 3.42Å; S196-I203 CarbonylContact O-C 3.55Å; S196-I203 VanDerWaalsContact O-CA 3.27Å; S196-I203 WeakPolarHBondContact O-CA 3.3Å; S196-I203 WeakPolarHBondContact O-CG2 3.44Å; S196-C204 PolarHBondContact N-O 2.94Å; S196-C204 PolarHBondContact O-N 3.4Å
197A98.9Very high98.4Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-102.3155.4171.800000111.3K143 G183 V231 V234K143-A197 WeakPolarHBondContact CE-O 3.33Å; K143-A197 PolarHBondContact NZ-O 2.82Å; G183-A197 PolarHBondContact O-N 3.41Å; A197-V231 HydrophobicContact CB-CB 3.93Å; A197-V231 HydrophobicContact CB-CG1 3.72Å; A197-V231 WeakPolarHBondContact CB-O 3.47Å; A197-V234 HydrophobicContact CB-CB 4.48Å; A197-V234 HydrophobicContact CB-CG1 3.85Å; A197-V234 HydrophobicContact CB-CG2 4.04Å
198S98.9Very high98.2Very high0 Ų022.3 Ų22.30%013%0.125CC..  trans-155.1155.4-176.3177.90000114.1H177 K179 E180 D200 H201 T202 V231H177-S198 VanDerWaalsContact CE1-CB 3.4Å; H177-S198 WeakPolarHBondContact CE1-CB 3.26Å; H177-S198 WeakPolarHBondContact ND1-CB 3.44Å; K179-S198 PolarHBondContact O-OG 3.45Å; E180-S198 VanDerWaalsContact O-CA 3.31Å; E180-S198 WeakPolarHBondContact O-CA 3.23Å; E180-S198 VanDerWaalsContact O-CB 3.3Å; E180-S198 WeakPolarHBondContact O-CB 3.44Å; E180-S198 PolarHBondContact O-OG 2.83Å; S198-D200 WeakPolarHBondContact CB-OD1 3.43Å; S198-D200 PolarHBondContact O-N 3.48Å; S198-D200 VanDerWaalsContact O-N 3.13Å; S198-D200 VanDerWaalsContact OG-CG 3.29Å; S198-D200 PolarHBondContact OG-N 3.26Å; S198-D200 PolarHBondContact OG-OD1 3.41Å; S198-H201 PolarHBondContact O-N 3.03Å; S198-H201 VanDerWaalsContact O-N 3.12Å; S198-T202 PolarHBondContact N-O 2.9Å; S198-V231 PolarHBondContact N-O 3.05Å; S198-V231 PolarHBondContact O-N 2.85Å; S198-V231 VanDerWaalsContact O-N 3.17Å
199D98.8Very high97.8Very high37 Ų3724.1 Ų24.120%0.19814%0.139CC..THydrogen-bonded Turntrans-61.5-10170.6-60.428000114.5K179 E180 H201 V230K179-D199 HydrophobicContact CB-CB 3.92Å; K179-D199 HydrophobicContact CD-CB 3.76Å; K179-D199 PolarHBondContact NZ-O 2.88Å; E180-D199 PolarHBondContact O-N 3.45Å; E180-D199 VanDerWaalsContact O-N 3.09Å; D199-H201 PolarHBondContact O-N 3.24Å; D199-V230 HydrophobicContact CB-CG1 4.28Å; D199-V230 HydrophobicContact CB-CG2 4.21Å
200D98.7Very high96.7Very high22 Ų2225.7 Ų25.712%0.11815%0.151CC..THydrogen-bonded Turntrans-81.96.5172.270.614.5000113.8H177 Q178 K179 S198 T202H177-D200 WeakPolarHBondContact CA-OD2 3.48Å; H177-D200 VanDerWaalsContact CB-OD2 3.27Å; H177-D200 WeakPolarHBondContact CB-OD2 3.43Å; H177-D200 IonicContact CG-OD2 3.64Å; H177-D200 IonicContact ND1-OD1 3.43Å; H177-D200 PolarHBondContact ND1-OD1 3.27Å; H177-D200 IonicContact ND1-OD2 3.22Å; H177-D200 PolarHBondContact ND1-OD2 3.27Å; Q178-D200 HydrophobicContact CB-CB 4.16Å; Q178-D200 PolarHBondContact N-OD2 2.78Å; K179-D200 HydrophobicContact CB-CB 4.28Å; K179-D200 HydrophobicContact CG-CB 4.33Å; S198-D200 WeakPolarHBondContact CB-OD1 3.43Å; S198-D200 PolarHBondContact O-N 3.48Å; S198-D200 VanDerWaalsContact O-N 3.13Å; S198-D200 VanDerWaalsContact OG-CG 3.29Å; S198-D200 PolarHBondContact OG-N 3.26Å; S198-D200 PolarHBondContact OG-OD1 3.41Å; D200-T202 VanDerWaalsContact CG-OG1 3.29Å; D200-T202 PolarHBondContact O-N 3.26Å; D200-T202 WeakPolarHBondContact OD1-CA 3.45Å; D200-T202 VanDerWaalsContact OD1-CB 3.29Å; D200-T202 WeakPolarHBondContact OD1-CB 3.33Å; D200-T202 PolarHBondContact OD1-N 3.11Å; D200-T202 PolarHBondContact OD1-OG1 3.15Å; D200-T202 PolarHBondContact OD2-OG1 3.05Å
201H98.8Very high95.7Very high75 Ų7524.3 Ų24.335%0.34715%0.145SC..SBendtrans72.712179-38.6-53.1000114.2S198 D199 A229 V230S198-H201 PolarHBondContact O-N 3.03Å; S198-H201 VanDerWaalsContact O-N 3.12Å; D199-H201 PolarHBondContact O-N 3.24Å; H201-A229 WeakPolarHBondContact CA-O 3.35Å; H201-A229 WeakPolarHBondContact CB-O 3.49Å; H201-A229 VanDerWaalsContact ND1-CA 3.32Å; H201-A229 WeakPolarHBondContact ND1-CA 3.33Å; H201-A229 PolarHBondContact ND1-O 3.16Å; H201-V230 PolarHBondContact ND1-N 2.88Å
202T98.9Very high94Very high22 Ų2226 Ų2614%0.13516%0.155CC..  trans-116.3158.9-176.6760000113H177 S198 D200 I223 F224 T225H177-T202 PolarHBondContact CE1-O 2.71Å; H177-T202 PolarHBondContact ND1-OG1 3.46Å; S198-T202 PolarHBondContact N-O 2.9Å; D200-T202 VanDerWaalsContact CG-OG1 3.29Å; D200-T202 PolarHBondContact O-N 3.26Å; D200-T202 WeakPolarHBondContact OD1-CA 3.45Å; D200-T202 VanDerWaalsContact OD1-CB 3.29Å; D200-T202 WeakPolarHBondContact OD1-CB 3.33Å; D200-T202 PolarHBondContact OD1-N 3.11Å; D200-T202 PolarHBondContact OD1-OG1 3.15Å; D200-T202 PolarHBondContact OD2-OG1 3.05Å; T202-I223 HydrophobicContact CG2-CG2 4.09Å; T202-F224 WeakPolarHBondContact CA-O 3.31Å; T202-T225 HydrophobicContact CG2-CG2 4.09Å
203I98.9Very high92.3Very high1 Ų136.5 Ų36.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-116.6123.9169.4-57.9158.6000107.3L195 S196 I223 F224 V231 V234 F244 S246 W256L195-I203 HydrophobicContact CD2-CG2 3.91Å; S196-I203 CarbonylContact O-C 3.55Å; S196-I203 VanDerWaalsContact O-CA 3.27Å; S196-I203 WeakPolarHBondContact O-CA 3.3Å; S196-I203 WeakPolarHBondContact O-CG2 3.44Å; I203-I223 CarbonylContact O-C 3.57Å; I203-I223 WeakPolarHBondContact O-CA 3.4Å; I203-F224 HydrophobicContact CB-CB 4.18Å; I203-F224 HydrophobicContact CB-CD2 4.29Å; I203-F224 HydrophobicContact CG2-CD2 4.22Å; I203-F224 PolarHBondContact N-O 2.85Å; I203-F224 PolarHBondContact O-N 2.9Å; I203-V231 HydrophobicContact CD1-CG1 4.17Å; I203-V231 HydrophobicContact CG1-CG1 3.88Å; I203-V231 HydrophobicContact CG1-CG2 4.38Å; I203-V234 HydrophobicContact CB-CG1 4.42Å; I203-V234 HydrophobicContact CD1-CG1 3.91Å; I203-V234 HydrophobicContact CG1-CG1 3.78Å; I203-V234 HydrophobicContact CG2-CG1 3.8Å; I203-F244 HydrophobicContact CD1-CE2 4.23Å; I203-F244 HydrophobicContact CG2-CE2 4.22Å; I203-S246 WeakPolarHBondContact CD1-OG 3.37Å; I203-W256 HydrophobicContact CD1-CZ2 4.39Å
204C98.9Very high90.5Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-101.2140.8175.7-75.30000110.9H177 L195 S196 W206 A220H177-C204 VanDerWaalsContact CE1-SG 3.58Å; L195-C204 WeakPolarHBondContact CA-O 3.27Å; S196-C204 PolarHBondContact N-O 2.94Å; S196-C204 PolarHBondContact O-N 3.4Å; C204-W206 HydrophobicContact CB-CD2 4.49Å; C204-W206 HydrophobicContact CB-CE3 4.22Å; C204-W206 HydrophobicContact CB-CH2 3.14Å; C204-W206 HydrophobicContact CB-CZ2 3.44Å; C204-W206 VanDerWaalsContact CB-CZ2 3.44Å; C204-W206 HydrophobicContact CB-CZ3 3.57Å; C204-A220 HydrophobicContact CB-CB 4.15Å
205L98.8Very high88.8Confident11 Ų1146.8 Ų46.86%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-116.2127.7172.4172.261.3000109.5L194 L195 K221 T222 F224 W236 T258L194-L205 WeakPolarHBondContact O-CA 3.35Å; L194-L205 WeakPolarHBondContact O-CD1 3.34Å; L195-L205 HydrophobicContact CD2-CB 3.96Å; L195-L205 HydrophobicContact CD2-CD1 4Å; L195-L205 HydrophobicContact CD2-CG 4.5Å; L195-L205 HydrophobicContact CG-CD1 4.42Å; L205-K221 WeakPolarHBondContact O-CB 3.45Å; L205-K221 PolarHBondContact O-N 3.12Å; L205-T222 PolarHBondContact N-O 3Å; L205-T222 PolarHBondContact O-N 3.15Å; L205-F224 HydrophobicContact CB-CE2 4.04Å; L205-F224 HydrophobicContact CD2-CE2 4.42Å; L205-W236 HydrophobicContact CD1-CH2 4.27Å; L205-W236 HydrophobicContact CD1-CZ2 3.71Å; L205-T258 HydrophobicContact CD2-CG2 4.21Å
206W98.4Very high88.3Confident0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-117.3156.5169.1-58.6-96.2000111.1V149 L174 R175 H177 C193 L194 C204 I208 V218 A220V149-W206 HydrophobicContact CB-CH2 4.44Å; V149-W206 HydrophobicContact CG2-CH2 3.83Å; V149-W206 HydrophobicContact CG2-CZ3 4.31Å; L174-W206 HydrophobicContact CB-CD2 3.9Å; L174-W206 HydrophobicContact CB-CG 4.04Å; L174-W206 HydrophobicContact CB-CZ2 4.07Å; L174-W206 HydrophobicContact CD1-CB 4.25Å; L174-W206 HydrophobicContact CD1-CD2 4.02Å; L174-W206 HydrophobicContact CD1-CE3 4.18Å; L174-W206 HydrophobicContact CD1-CG 4.05Å; L174-W206 HydrophobicContact CG-CG 4.44Å; R175-W206 PolarHBondContact O-NE1 2.96Å; H177-W206 AromaticContact CD2-CH2 3.84Å; H177-W206 AromaticContact NE2-CH2 3.88Å; C193-W206 WeakPolarHBondContact CA-O 3.31Å; L194-W206 PolarHBondContact N-O 3Å; L194-W206 PolarHBondContact O-N 2.92Å; C204-W206 HydrophobicContact CB-CD2 4.49Å; C204-W206 HydrophobicContact CB-CE3 4.22Å; C204-W206 HydrophobicContact CB-CH2 3.14Å; C204-W206 HydrophobicContact CB-CZ2 3.44Å; C204-W206 VanDerWaalsContact CB-CZ2 3.44Å; C204-W206 HydrophobicContact CB-CZ3 3.57Å; W206-I208 HydrophobicContact CB-CG2 4.49Å; W206-V218 PolarHBondContact NE1-O 3.47Å; W206-A220 VanDerWaalsContact CD1-CA 3.48Å; W206-A220 HydrophobicContact CZ2-CB 4.44Å; W206-A220 VanDerWaalsContact NE1-CA 3.32Å
207D95.8Very high88.1Confident23 Ų2357 Ų5712%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-128.391.7173.2179.8-11.3000108.1G192 S209 T210 K221G192-D207 WeakPolarHBondContact O-CA 3.41Å; D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 3.28Å; D207-S209 PolarHBondContact OD1-OG 2.94Å; D207-T210 PolarHBondContact O-OG1 3.02Å; D207-K221 HydrophobicContact CB-CD 3.78Å; D207-K221 IonicContact OD2-NZ 3.94Å; D207-K221 PolarHBondContact OD2-NZ 3.46Å
208I94.7Very high87.9Confident26 Ų2658 Ų5813%0.13331%0.309CS..G310 helixtrans-78.5-6.4-175.166.5156.5000113I139 V151 L172 L174 W186 G192 W206 T210 V211I139-I208 HydrophobicContact CG2-CD1 4.43Å; V151-I208 HydrophobicContact CG1-CD1 4.41Å; L172-I208 HydrophobicContact CD1-CB 3.85Å; L172-I208 HydrophobicContact CD1-CD1 4.12Å; L172-I208 HydrophobicContact CD1-CG2 3.9Å; L174-I208 HydrophobicContact CD1-CG2 4.33Å; L174-I208 HydrophobicContact CD2-CG2 3.73Å; W186-I208 HydrophobicContact CH2-CD1 3.59Å; W186-I208 HydrophobicContact CH2-CG1 4.15Å; W186-I208 HydrophobicContact CZ3-CD1 4Å; W186-I208 HydrophobicContact CZ3-CG1 4.11Å; G192-I208 VanDerWaalsContact CA-CG1 3.49Å; G192-I208 WeakPolarHBondContact O-CG1 3.22Å; G192-I208 PolarHBondContact O-N 2.87Å; W206-I208 HydrophobicContact CB-CG2 4.49Å; I208-T210 PolarHBondContact O-N 3.01Å; I208-V211 HydrophobicContact CB-CG2 4.37Å
209S89.2Confident87.8Confident79 Ų7963.7 Ų63.755%0.55234%0.339SS*.G310 helixtrans-70.2-23179.577.30000112.8D207D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 3.28Å; D207-S209 PolarHBondContact OD1-OG 2.94Å
210T75.9Confident87.8Confident104 Ų10463 Ų6364%0.63834%0.339SS*.G310 helixtrans-98.8-0-174.162.50000113.7D207 I208D207-T210 PolarHBondContact O-OG1 3.02Å; I208-T210 PolarHBondContact O-N 3.01Å
211V77.3Confident87.7Confident34 Ų3468 Ų6821%0.20636%0.36CS..  trans-74.7130.2-171.2-177.60000110.5L172 I208 V218L172-V211 HydrophobicContact CD2-CG1 4.18Å; I208-V211 HydrophobicContact CB-CG2 4.37Å; V211-V218 HydrophobicContact CB-CG2 4.34Å; V211-V218 HydrophobicContact CG1-CG2 3.8Å; V211-V218 HydrophobicContact CG2-CB 4.39Å; V211-V218 HydrophobicContact CG2-CG1 3.88Å; V211-V218 HydrophobicContact CG2-CG2 3.53Å
212P62.3Low87.6Confident98 Ų9866.2 Ų66.264%0.63635%0.354SS*.  trans-63141.3174.7-15.227.5000110.8E214 G215P212-E214 PolarHBondContact O-N 2.91Å; P212-G215 PolarHBondContact O-N 2.75Å; P212-G215 VanDerWaalsContact O-N 3.08Å
213K59.5Low87.6Confident224 Ų22468.2 Ų68.297%0.97436%0.364SS*.THydrogen-bonded Turntrans-56.2-10.4-177.6-66.7-176.8176.9-177.90115.8
214E60.8Low87.6Confident194 Ų19468.5 Ų68.591%0.90737%0.365SS*.THydrogen-bonded Turntrans-104.7-10.4-176.4-64.4-176.5172.400113.7P212P212-E214 PolarHBondContact O-N 2.91Å
215G64.2Low87.6Confident32 Ų3271.9 Ų71.933%0.3339%0.385SS..  trans-101.2116.1-179.400000112.5P212P212-G215 PolarHBondContact O-N 2.75Å; P212-G215 VanDerWaalsContact O-N 3.08Å
216K88.1Confident87.6Confident128 Ų12872.1 Ų72.156%0.55739%0.391SS*.  trans-82.8-12.1172.4-69.3-165174-161.10113.9L172 R173L172-K216 CarbonylContact C-O 3.51Å; L172-K216 WeakPolarHBondContact CA-O 3.44Å; R173-K216 PolarHBondContact N-O 3.47Å
217I94.4Very high87.6Confident87 Ų8772.6 Ų72.645%0.44639%0.393SS..EExtended strand (participates in β ladder)trans-113.4132.1-176.1-58.2174.2000109.3R173 R175R173-I217 HydrophobicContact CB-CG1 4.43Å; R173-I217 VanDerWaalsContact O-CA 3.3Å; R173-I217 WeakPolarHBondContact O-CA 3.43Å; R175-I217 HydrophobicContact CG-CG2 4.15Å
218V95.4Very high87.8Confident20 Ų2076.8 Ų76.812%0.12142%0.42CS..EExtended strand (participates in β ladder)trans-130.1119.6-178.5-1700000109.3L172 R173 L174 R175 W206 V211L172-V218 HydrophobicContact CD2-CG2 4.23Å; R173-V218 PolarHBondContact O-N 2.84Å; L174-V218 CarbonylContact C-O 3.58Å; L174-V218 VanDerWaalsContact CA-O 3.31Å; L174-V218 WeakPolarHBondContact CA-O 3.35Å; L174-V218 HydrophobicContact CD2-CB 3.72Å; L174-V218 HydrophobicContact CD2-CG1 4.47Å; L174-V218 HydrophobicContact CD2-CG2 3.92Å; R175-V218 PolarHBondContact N-O 3.4Å; W206-V218 PolarHBondContact NE1-O 3.47Å; V211-V218 HydrophobicContact CB-CG2 4.34Å; V211-V218 HydrophobicContact CG1-CG2 3.8Å; V211-V218 HydrophobicContact CG2-CB 4.39Å; V211-V218 HydrophobicContact CG2-CG1 3.88Å; V211-V218 HydrophobicContact CG2-CG2 3.53Å
219D96.2Very high88Confident120 Ų12076.6 Ų76.664%0.64242%0.422SS*.EExtended strand (participates in β ladder)trans-80.5153.4174.9-63-46.7000111.2R175 K221R175-D219 CarbonylContact O-C 3.59Å; R175-D219 WeakPolarHBondContact O-CA 3.36Å; D219-K221 PolarHBondContact O-N 2.9Å
220A97.6Very high88.4Confident24 Ų2474 Ų7420%0.19840%0.403CS..  trans-57.4129.7179.800000111.5R175 C204 W206 T222 I223R175-A220 PolarHBondContact O-N 2.83Å; C204-A220 HydrophobicContact CB-CB 4.15Å; W206-A220 VanDerWaalsContact CD1-CA 3.48Å; W206-A220 HydrophobicContact CZ2-CB 4.44Å; W206-A220 VanDerWaalsContact NE1-CA 3.32Å; A220-T222 VanDerWaalsContact C-N 3.35Å; A220-I223 HydrophobicContact CB-CD1 4.23Å; A220-I223 HydrophobicContact CB-CG1 3.83Å
221K96.8Very high89.5Confident125 Ų12569.1 Ų69.154%0.54337%0.373SS..SBendtrans-68.5-38174-179.3179.9-177.9173.80110.8L205 D207 D219L205-K221 WeakPolarHBondContact O-CB 3.45Å; L205-K221 PolarHBondContact O-N 3.12Å; D207-K221 HydrophobicContact CB-CD 3.78Å; D207-K221 IonicContact OD2-NZ 3.94Å; D207-K221 PolarHBondContact OD2-NZ 3.46Å; D219-K221 PolarHBondContact O-N 2.9Å
222T98.3Very high90.5Very high39 Ų3968.9 Ų68.924%0.23937%0.369CS..EExtended strand (participates in β ladder)trans-149.3139.6179.9-52.60000109.4L205 A220 F224 T263L205-T222 PolarHBondContact N-O 3Å; L205-T222 PolarHBondContact O-N 3.15Å; A220-T222 VanDerWaalsContact C-N 3.35Å; T222-F224 HydrophobicContact CG2-CD2 4.37Å; T222-F224 HydrophobicContact CG2-CE1 4.06Å; T222-F224 HydrophobicContact CG2-CE2 3.85Å; T222-F224 HydrophobicContact CG2-CZ 3.67Å; T222-T263 HydrophobicContact CG2-CG2 3.47Å; T222-T263 VanDerWaalsContact CG2-CG2 3.47Å
223I98.8Very high92.3Very high64 Ų6464.6 Ų64.633%0.32834%0.341SS..EExtended strand (participates in β ladder)trans-120.1121.6174.7-54.6-178.9000107.4T202 I203 A220 T225 T263T202-I223 HydrophobicContact CG2-CG2 4.09Å; I203-I223 CarbonylContact O-C 3.57Å; I203-I223 WeakPolarHBondContact O-CA 3.4Å; A220-I223 HydrophobicContact CB-CD1 4.23Å; A220-I223 HydrophobicContact CB-CG1 3.83Å; I223-T225 HydrophobicContact CG2-CG2 4.04Å; I223-T263 WeakPolarHBondContact O-CB 3.39Å; I223-T263 PolarHBondContact O-OG1 3.37Å
224F98.9Very high94.2Very high7 Ų754 Ų543%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-97.5132176.8-52.4-95.6000109.8L195 T202 I203 L205 T222 F244 W256 T258 T263L195-F224 HydrophobicContact CD2-CE2 4.5Å; T202-F224 WeakPolarHBondContact CA-O 3.31Å; I203-F224 HydrophobicContact CB-CB 4.18Å; I203-F224 HydrophobicContact CB-CD2 4.29Å; I203-F224 HydrophobicContact CG2-CD2 4.22Å; I203-F224 PolarHBondContact N-O 2.85Å; I203-F224 PolarHBondContact O-N 2.9Å; L205-F224 HydrophobicContact CB-CE2 4.04Å; L205-F224 HydrophobicContact CD2-CE2 4.42Å; T222-F224 HydrophobicContact CG2-CD2 4.37Å; T222-F224 HydrophobicContact CG2-CE1 4.06Å; T222-F224 HydrophobicContact CG2-CE2 3.85Å; T222-F224 HydrophobicContact CG2-CZ 3.67Å; F224-F244 HydrophobicContact CD1-CZ 4.13Å; F224-F244 AromaticContact CD2-CZ 3.82Å; F224-F244 HydrophobicContact CD2-CZ 3.82Å; F224-F244 HydrophobicContact CE1-CE1 4.14Å; F224-F244 HydrophobicContact CE1-CZ 4.01Å; F224-F244 HydrophobicContact CE2-CE1 4.01Å; F224-F244 AromaticContact CE2-CZ 3.7Å; F224-F244 HydrophobicContact CE2-CZ 3.7Å; F224-F244 HydrophobicContact CG-CZ 4.05Å; F224-F244 AromaticContact CZ-CE1 3.78Å; F224-F244 HydrophobicContact CZ-CE1 3.78Å; F224-F244 AromaticContact CZ-CZ 3.81Å; F224-F244 HydrophobicContact CZ-CZ 3.81Å; F224-W256 HydrophobicContact CB-CE3 4.31Å; F224-W256 HydrophobicContact CB-CH2 4.01Å; F224-W256 HydrophobicContact CB-CZ2 4.38Å; F224-W256 HydrophobicContact CB-CZ3 3.98Å; F224-W256 HydrophobicContact CD1-CD2 4.3Å; F224-W256 AromaticContact CD1-CE3 3.62Å; F224-W256 HydrophobicContact CD1-CE3 3.62Å; F224-W256 AromaticContact CD1-CZ3 3.85Å; F224-W256 HydrophobicContact CD1-CZ3 3.85Å; F224-W256 HydrophobicContact CE1-CE3 4.36Å; F224-W256 HydrophobicContact CG-CE3 4.28Å; F224-W256 HydrophobicContact CG-CZ3 4.36Å; F224-T258 HydrophobicContact CZ-CG2 4.27Å; F224-T263 CarbonylContact C-O 3.56Å; F224-T263 WeakPolarHBondContact CA-O 3.31Å; F224-T263 HydrophobicContact CD1-CG2 4.35Å; F224-T263 HydrophobicContact CE1-CG2 4.35Å
225T98.6Very high96Very high70 Ų7045.7 Ų45.743%0.42926%0.258SS..  trans-131.541.4-168.866.80000111.4T202 I223 T263 S264T202-T225 HydrophobicContact CG2-CG2 4.09Å; I223-T225 HydrophobicContact CG2-CG2 4.04Å; T225-T263 PolarHBondContact N-O 2.89Å; T225-S264 WeakPolarHBondContact OG1-CB 3.18Å
226G98.6Very high97.6Very high17 Ų1744.3 Ų44.318%0.17524%0.243CC..  trans-88.2-32.6-178.700000114.3
227H98.8Very high98.1Very high10 Ų1038.4 Ų38.45%0.04622%0.218CC..  trans-70.7154.1176-77.2-72.4000111.3V231 S246 A248 D250H227-V231 HydrophobicContact CB-CG2 3.75Å; H227-S246 PolarHBondContact CD2-OG 3.02Å; H227-S246 PolarHBondContact NE2-OG 2.89Å; H227-A248 HydrophobicContact CB-CB 4.32Å; H227-A248 VanDerWaalsContact CE1-CB 3.45Å; H227-A248 WeakPolarHBondContact CE1-CB 3.43Å; H227-A248 WeakPolarHBondContact ND1-CB 3.49Å; H227-D250 VanDerWaalsContact CA-OD2 3.32Å; H227-D250 WeakPolarHBondContact CA-OD2 3.3Å; H227-D250 IonicContact CE1-OD1 2.72Å; H227-D250 IonicContact CG-OD2 2.75Å; H227-D250 IonicContact ND1-OD1 2.92Å; H227-D250 PolarHBondContact ND1-OD1 2.86Å; H227-D250 IonicContact ND1-OD2 3.3Å; H227-D250 PolarHBondContact ND1-OD2 3.2Å; H227-D250 VanDerWaalsContact ND1-OD2 3.08Å
228T98.6Very high98.3Very high111 Ų11137.3 Ų37.368%0.68121%0.212SC*.SBendtrans-115.4-2.1-178.355.90000114D250T228-D250 PolarHBondContact N-OD2 3.12Å; T228-D250 PolarHBondContact OG1-OD2 2.93Å
229A98.8Very high98.4Very high22 Ų2241 Ų4118%0.18223%0.231CC..SBendtrans-137.8-176176.800000109.9H201 V231 D249 D250H201-A229 WeakPolarHBondContact CA-O 3.35Å; H201-A229 WeakPolarHBondContact CB-O 3.49Å; H201-A229 VanDerWaalsContact ND1-CA 3.32Å; H201-A229 WeakPolarHBondContact ND1-CA 3.33Å; H201-A229 PolarHBondContact ND1-O 3.16Å; A229-V231 PolarHBondContact O-N 3.34Å; A229-D249 HydrophobicContact CB-CB 3.55Å; A229-D250 HydrophobicContact CB-CB 3.88Å
230V98.8Very high98.5Very high24 Ų2439.3 Ų39.315%0.14522%0.219CC..  trans-55.2132.1-177.3172.60000109.5D199 H201 E232 A248 D249D199-V230 HydrophobicContact CB-CG1 4.28Å; D199-V230 HydrophobicContact CB-CG2 4.21Å; H201-V230 PolarHBondContact ND1-N 2.88Å; V230-E232 VanDerWaalsContact CG1-OE1 3.25Å; V230-E232 WeakPolarHBondContact CG1-OE1 3.48Å; V230-A248 CarbonylContact O-C 3.14Å; V230-A248 WeakPolarHBondContact O-CA 3.28Å; V230-A248 WeakPolarHBondContact O-CB 3.3Å; V230-D249 HydrophobicContact CB-CB 4.38Å; V230-D249 WeakPolarHBondContact CB-OD2 3.25Å; V230-D249 PolarHBondContact O-N 2.89Å
231V98.9Very high98.6Very high1 Ų142.6 Ų42.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-92.6112.2175.4-166.50000107.8A197 S198 I203 H227 A229 V234 V247A197-V231 HydrophobicContact CB-CB 3.93Å; A197-V231 HydrophobicContact CB-CG1 3.72Å; A197-V231 WeakPolarHBondContact CB-O 3.47Å; S198-V231 PolarHBondContact N-O 3.05Å; S198-V231 PolarHBondContact O-N 2.85Å; S198-V231 VanDerWaalsContact O-N 3.17Å; I203-V231 HydrophobicContact CD1-CG1 4.17Å; I203-V231 HydrophobicContact CG1-CG1 3.88Å; I203-V231 HydrophobicContact CG1-CG2 4.38Å; H227-V231 HydrophobicContact CB-CG2 3.75Å; A229-V231 PolarHBondContact O-N 3.34Å; V231-V234 HydrophobicContact CG1-CG1 4.37Å; V231-V247 VanDerWaalsContact CG1-O 3.3Å; V231-V247 WeakPolarHBondContact CG1-O 3.44Å
232E98.9Very high98.6Very high30 Ų3037.3 Ų37.314%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-81.1-47.8-171.4-71.3-61.5152.700111.6G183 V230 V247 V277G183-E232 WeakPolarHBondContact CA-O 3.26Å; G183-E232 PolarHBondContact N-O 2.87Å; V230-E232 VanDerWaalsContact CG1-OE1 3.25Å; V230-E232 WeakPolarHBondContact CG1-OE1 3.48Å; E232-V247 PolarHBondContact N-O 2.92Å; E232-V277 WeakPolarHBondContact CB-O 3.23Å
233D98.9Very high98.7Very high7 Ų737.1 Ų37.14%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-144152.4-176-158.421.1000113.9R129 G183 S246 V247 L280R129-D233 IonicContact NH1-OD1 3.87Å; R129-D233 PolarHBondContact NH1-OD1 3.43Å; R129-D233 IonicContact NH1-OD2 3.15Å; G183-D233 WeakPolarHBondContact CA-OD1 3.28Å; D233-S246 VanDerWaalsContact O-CA 3.32Å; D233-S246 WeakPolarHBondContact O-CA 3.44Å; D233-V247 HydrophobicContact CB-CG2 3.77Å; D233-V247 PolarHBondContact N-O 3.45Å; D233-V247 PolarHBondContact O-N 2.81Å; D233-L280 HydrophobicContact CB-CD2 3.81Å; D233-L280 PolarHBondContact OD2-N 3.23Å
234V98.9Very high98.7Very high1 Ų134 Ų341%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-139137.4178.3-74.70000109.1S185 L195 A197 I203 V231 G245S185-V234 WeakPolarHBondContact CB-O 3.25Å; L195-V234 HydrophobicContact CB-CB 4.34Å; L195-V234 HydrophobicContact CB-CG2 3.92Å; A197-V234 HydrophobicContact CB-CB 4.48Å; A197-V234 HydrophobicContact CB-CG1 3.85Å; A197-V234 HydrophobicContact CB-CG2 4.04Å; I203-V234 HydrophobicContact CB-CG1 4.42Å; I203-V234 HydrophobicContact CD1-CG1 3.91Å; I203-V234 HydrophobicContact CG1-CG1 3.78Å; I203-V234 HydrophobicContact CG2-CG1 3.8Å; V231-V234 HydrophobicContact CG1-CG1 4.37Å; V234-G245 WeakPolarHBondContact CA-O 3.33Å
235S98.9Very high98.7Very high20 Ų2033.7 Ų33.714%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-142.5129.9-179.8-169.10000110.9F244 G245 F282S235-F244 CarbonylContact O-C 3.54Å; S235-F244 VanDerWaalsContact O-CA 3.3Å; S235-F244 WeakPolarHBondContact O-CA 3.43Å; S235-F244 VanDerWaalsContact O-CB 3.31Å; S235-F244 WeakPolarHBondContact O-CB 3.46Å; S235-G245 PolarHBondContact N-O 2.83Å; S235-G245 PolarHBondContact O-N 2.7Å; S235-F282 WeakPolarHBondContact O-CE2 3.45Å
236W98.9Very high98.7Very high4 Ų430.4 Ų30.42%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-67.5144.7169.6-75.7101.9000111.1S185 N187 C193 L195 L205 E241 F244 T258 F282S185-W236 PolarHBondContact O-NE1 2.93Å; S185-W236 VanDerWaalsContact O-NE1 3.15Å; S185-W236 PolarHBondContact OG-N 3.23Å; S185-W236 VanDerWaalsContact OG-N 3.11Å; N187-W236 VanDerWaalsContact CA-CD1 3.44Å; N187-W236 HydrophobicContact CB-CD2 3.81Å; N187-W236 HydrophobicContact CB-CE3 4.48Å; N187-W236 HydrophobicContact CB-CG 3.93Å; N187-W236 HydrophobicContact CB-CZ2 4.13Å; N187-W236 VanDerWaalsContact ND2-CZ3 3.3Å; N187-W236 WeakPolarHBondContact ND2-CZ3 3.15Å; C193-W236 HydrophobicContact CB-CZ2 4.45Å; L195-W236 HydrophobicContact CD1-CD2 3.66Å; L195-W236 HydrophobicContact CD1-CE3 4.29Å; L195-W236 HydrophobicContact CD1-CG 4.02Å; L195-W236 HydrophobicContact CD1-CH2 4.29Å; L195-W236 HydrophobicContact CD1-CZ2 3.68Å; L195-W236 HydrophobicContact CD2-CZ2 4.11Å; L195-W236 HydrophobicContact CG-CD2 4.36Å; L195-W236 VanDerWaalsContact CG-CE2 3.48Å; L195-W236 HydrophobicContact CG-CH2 4.47Å; L195-W236 HydrophobicContact CG-CZ2 3.58Å; L205-W236 HydrophobicContact CD1-CH2 4.27Å; L205-W236 HydrophobicContact CD1-CZ2 3.71Å; W236-E241 WeakPolarHBondContact CZ3-O 3.48Å; W236-F244 HydrophobicContact CD2-CB 4.18Å; W236-F244 HydrophobicContact CE3-CB 3.84Å; W236-F244 HydrophobicContact CE3-CD1 4.42Å; W236-F244 HydrophobicContact CH2-CD1 4.34Å; W236-F244 HydrophobicContact CZ3-CB 4.29Å; W236-F244 HydrophobicContact CZ3-CD1 4.01Å; W236-T258 HydrophobicContact CH2-CG2 3.77Å; W236-T258 HydrophobicContact CZ3-CG2 4.04Å; W236-F282 WeakPolarHBondContact O-CD2 3.24Å
237H98.9Very high98.7Very high4 Ų429.6 Ų29.62%0.01916%0.16CC..  trans-64.9138.5162.8-171.5-63.9000109.7L239 H240 L243 F282 E287H237-L239 PolarHBondContact ND1-N 3.14Å; H237-H240 HydrophobicContact CB-CB 4.46Å; H237-H240 AromaticContact CE1-CD2 3.57Å; H237-H240 PolarHBondContact ND1-N 3.38Å; H237-H240 AromaticContact NE2-CD2 3.61Å; H237-L243 HydrophobicContact CB-CB 3.84Å; H237-L243 WeakPolarHBondContact CB-O 3.38Å; H237-L243 PolarHBondContact N-O 3.21Å; H237-F282 AromaticContact CD2-CD1 3.96Å; H237-F282 AromaticContact CD2-CE1 3.9Å; H237-E287 PolarHBondContact NE2-O 2.86Å
238L98.3Very high98.7Very high63 Ų6329.1 Ų29.133%0.3316%0.158SC..SBendtrans-78.5-28.2-169.9-59.4174.5000113.8P188 N189 F282 P284P188-L238 HydrophobicContact CG-CD2 4.13Å; N189-L238 PolarHBondContact ND2-O 3.28Å; L238-F282 HydrophobicContact CD1-CB 4.31Å; L238-F282 HydrophobicContact CG-CB 4.25Å; L238-P284 VanDerWaalsContact CD1-CA 3.48Å; L238-P284 HydrophobicContact CD1-CB 3.8Å
239L97.8Very high98.7Very high99 Ų9926 Ų2652%0.51814%0.138SC..SBendtrans-101.3-45.2174.9-56.8172.9000114.9N189 H237 E241 E287N189-L239 PolarHBondContact ND2-O 2.98Å; H237-L239 PolarHBondContact ND1-N 3.14Å; L239-E241 PolarHBondContact O-N 2.6Å; L239-E287 HydrophobicContact CD1-CB 3.76Å
240H98.3Very high98.7Very high83 Ų8326.1 Ų26.138%0.38414%0.135SC..  trans-87.2106.2-178.4-63.7-48.1000112.2H237 S242 L243 E287H237-H240 HydrophobicContact CB-CB 4.46Å; H237-H240 AromaticContact CE1-CD2 3.57Å; H237-H240 PolarHBondContact ND1-N 3.38Å; H237-H240 AromaticContact NE2-CD2 3.61Å; H240-S242 PolarHBondContact O-N 3.33Å; H240-L243 HydrophobicContact CB-CB 4.22Å; H240-L243 HydrophobicContact CB-CD1 3.93Å; H240-L243 HydrophobicContact CB-CG 4.09Å; H240-L243 PolarHBondContact O-N 3.06Å; H240-E287 IonicContact NE2-OE2 2.74Å
241E98Very high98.7Very high93 Ų9328.5 Ų28.544%0.43515%0.145SC..THydrogen-bonded Turntrans-57.4-22.6-176.267.8177-154.600115.8N187 N189 L190 W236 L239N187-E241 PolarHBondContact ND2-O 3.3Å; N189-E241 HydrophobicContact CB-CB 3.75Å; L190-E241 HydrophobicContact CD1-CB 3.97Å; L190-E241 HydrophobicContact CD1-CG 4.29Å; L190-E241 WeakPolarHBondContact CD2-OE2 3.4Å; L190-E241 HydrophobicContact CG-CB 3.96Å; W236-E241 WeakPolarHBondContact CZ3-O 3.48Å; L239-E241 PolarHBondContact O-N 2.6Å
242S98.5Very high98.7Very high15 Ų1531.1 Ų31.111%0.10516%0.156CC..THydrogen-bonded Turntrans-94.6-16.2-175.3-500000113.9H240 D257 T258H240-S242 PolarHBondContact O-N 3.33Å; S242-D257 WeakPolarHBondContact O-CA 3.41Å; S242-T258 WeakPolarHBondContact CA-OG1 3.38Å; S242-T258 WeakPolarHBondContact CB-OG1 3.27Å; S242-T258 PolarHBondContact O-N 3.2Å; S242-T258 PolarHBondContact O-OG1 3.33Å
243L98.8Very high98.7Very high34 Ų3429.8 Ų29.818%0.17815%0.15CC..EExtended strand (participates in β ladder)trans-98.8139.3-172.7-64.4-179.5000111.3H237 H240 W256 D257H237-L243 HydrophobicContact CB-CB 3.84Å; H237-L243 WeakPolarHBondContact CB-O 3.38Å; H237-L243 PolarHBondContact N-O 3.21Å; H240-L243 HydrophobicContact CB-CB 4.22Å; H240-L243 HydrophobicContact CB-CD1 3.93Å; H240-L243 HydrophobicContact CB-CG 4.09Å; H240-L243 PolarHBondContact O-N 3.06Å; L243-W256 WeakPolarHBondContact CA-O 3.39Å; L243-W256 WeakPolarHBondContact CD2-O 3.47Å; L243-D257 HydrophobicContact CD2-CB 3.9Å
244F98.9Very high98.7Very high0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-146.9156.5169.968.4-89.8000110.4L195 I203 F224 S235 W236 W256 T258L195-F244 HydrophobicContact CD1-CB 3.53Å; L195-F244 HydrophobicContact CD1-CD1 3.93Å; L195-F244 HydrophobicContact CD1-CD2 3.58Å; L195-F244 HydrophobicContact CD1-CE2 4.19Å; L195-F244 HydrophobicContact CD1-CG 3.42Å; L195-F244 VanDerWaalsContact CD1-CG 3.42Å; L195-F244 HydrophobicContact CD2-CE1 4.39Å; L195-F244 HydrophobicContact CD2-CE2 4.34Å; L195-F244 HydrophobicContact CD2-CZ 4.27Å; I203-F244 HydrophobicContact CD1-CE2 4.23Å; I203-F244 HydrophobicContact CG2-CE2 4.22Å; F224-F244 HydrophobicContact CD1-CZ 4.13Å; F224-F244 AromaticContact CD2-CZ 3.82Å; F224-F244 HydrophobicContact CD2-CZ 3.82Å; F224-F244 HydrophobicContact CE1-CE1 4.14Å; F224-F244 HydrophobicContact CE1-CZ 4.01Å; F224-F244 HydrophobicContact CE2-CE1 4.01Å; F224-F244 AromaticContact CE2-CZ 3.7Å; F224-F244 HydrophobicContact CE2-CZ 3.7Å; F224-F244 HydrophobicContact CG-CZ 4.05Å; F224-F244 AromaticContact CZ-CE1 3.78Å; F224-F244 HydrophobicContact CZ-CE1 3.78Å; F224-F244 AromaticContact CZ-CZ 3.81Å; F224-F244 HydrophobicContact CZ-CZ 3.81Å; S235-F244 CarbonylContact O-C 3.54Å; S235-F244 VanDerWaalsContact O-CA 3.3Å; S235-F244 WeakPolarHBondContact O-CA 3.43Å; S235-F244 VanDerWaalsContact O-CB 3.31Å; S235-F244 WeakPolarHBondContact O-CB 3.46Å; W236-F244 HydrophobicContact CD2-CB 4.18Å; W236-F244 HydrophobicContact CE3-CB 3.84Å; W236-F244 HydrophobicContact CE3-CD1 4.42Å; W236-F244 HydrophobicContact CH2-CD1 4.34Å; W236-F244 HydrophobicContact CZ3-CB 4.29Å; W236-F244 HydrophobicContact CZ3-CD1 4.01Å; F244-W256 HydrophobicContact CD1-CB 3.7Å; F244-W256 HydrophobicContact CD2-CB 3.92Å; F244-W256 AromaticContact CD2-CD1 3.68Å; F244-W256 HydrophobicContact CD2-CG 4.02Å; F244-W256 HydrophobicContact CE1-CB 3.28Å; F244-W256 HydrophobicContact CE1-CG 4.01Å; F244-W256 HydrophobicContact CE2-CB 3.53Å; F244-W256 AromaticContact CE2-CD1 3.22Å; F244-W256 HydrophobicContact CE2-CD2 4.19Å; F244-W256 AromaticContact CE2-CG 3.37Å; F244-W256 HydrophobicContact CE2-CG 3.37Å; F244-W256 AromaticContact CE2-NE1 3.93Å; F244-W256 HydrophobicContact CG-CB 4Å; F244-W256 HydrophobicContact CZ-CB 3.19Å; F244-W256 AromaticContact CZ-CD1 3.75Å; F244-W256 HydrophobicContact CZ-CD2 4.03Å; F244-W256 AromaticContact CZ-CG 3.37Å; F244-W256 HydrophobicContact CZ-CG 3.37Å; F244-W256 PolarHBondContact N-O 3.23Å; F244-W256 PolarHBondContact O-N 2.89Å; F244-T258 HydrophobicContact CD1-CG2 4.13Å; F244-T258 HydrophobicContact CE1-CG2 3.89Å
245G98.9Very high98.7Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-107.2153.7173.100000111.3V234 S235 M254 L280V234-G245 WeakPolarHBondContact CA-O 3.33Å; S235-G245 PolarHBondContact N-O 2.83Å; S235-G245 PolarHBondContact O-N 2.7Å; G245-M254 CarbonylContact C-O 3.58Å; G245-M254 VanDerWaalsContact CA-O 3.31Å; G245-M254 WeakPolarHBondContact CA-O 3.34Å; G245-L280 VanDerWaalsContact C-CD1 3.46Å
246S98.9Very high98.7Very high0 Ų029.4 Ų29.40%015%0.145CC..EExtended strand (participates in β ladder)trans-141.2150.7169.465.40000111.5I203 H227 D233 M254 W256I203-S246 WeakPolarHBondContact CD1-OG 3.37Å; H227-S246 PolarHBondContact CD2-OG 3.02Å; H227-S246 PolarHBondContact NE2-OG 2.89Å; D233-S246 VanDerWaalsContact O-CA 3.32Å; D233-S246 WeakPolarHBondContact O-CA 3.44Å; S246-M254 PolarHBondContact N-O 3.45Å; S246-M254 PolarHBondContact O-N 3.36Å; S246-W256 PolarHBondContact OG-NE1 2.9Å
247V98.9Very high98.7Very high0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-134.1154.7178.7-63.60000110.7V231 E232 D233 K252 L253 V277 L280 T292V231-V247 VanDerWaalsContact CG1-O 3.3Å; V231-V247 WeakPolarHBondContact CG1-O 3.44Å; E232-V247 PolarHBondContact N-O 2.92Å; D233-V247 HydrophobicContact CB-CG2 3.77Å; D233-V247 PolarHBondContact N-O 3.45Å; D233-V247 PolarHBondContact O-N 2.81Å; V247-K252 WeakPolarHBondContact CA-O 3.47Å; V247-L253 HydrophobicContact CG1-CB 4.49Å; V247-L253 HydrophobicContact CG1-CD1 3.88Å; V247-V277 HydrophobicContact CB-CB 3.85Å; V247-V277 HydrophobicContact CB-CG1 3.53Å; V247-V277 WeakPolarHBondContact CB-O 3.27Å; V247-V277 HydrophobicContact CG1-CB 4.35Å; V247-V277 HydrophobicContact CG1-CG1 3.59Å; V247-V277 HydrophobicContact CG2-CG1 4.07Å; V247-V277 VanDerWaalsContact CG2-O 3.29Å; V247-V277 WeakPolarHBondContact CG2-O 3.31Å; V247-L280 HydrophobicContact CG1-CB 3.95Å; V247-L280 HydrophobicContact CG1-CD1 4.47Å; V247-L280 HydrophobicContact CG1-CD2 4.26Å; V247-L280 HydrophobicContact CG1-CG 4.45Å; V247-L280 HydrophobicContact CG2-CB 4.47Å; V247-L280 HydrophobicContact CG2-CD2 3.88Å; V247-T292 HydrophobicContact CG1-CG2 3.91Å
248A98.9Very high98.7Very high0 Ų032.5 Ų32.50%016%0.164CC..EExtended strand (participates in β ladder)trans-159170-167.800000112.8H227 V230 D250 Q251 V277H227-A248 HydrophobicContact CB-CB 4.32Å; H227-A248 VanDerWaalsContact CE1-CB 3.45Å; H227-A248 WeakPolarHBondContact CE1-CB 3.43Å; H227-A248 WeakPolarHBondContact ND1-CB 3.49Å; V230-A248 CarbonylContact O-C 3.14Å; V230-A248 WeakPolarHBondContact O-CA 3.28Å; V230-A248 WeakPolarHBondContact O-CB 3.3Å; A248-D250 WeakPolarHBondContact CB-OD1 3.43Å; A248-D250 PolarHBondContact O-N 2.91Å; A248-D250 VanDerWaalsContact O-N 3.16Å; A248-Q251 PolarHBondContact O-N 3.13Å; A248-Q251 VanDerWaalsContact O-N 3.14Å; A248-V277 PolarHBondContact N-O 2.78Å; A248-V277 PolarHBondContact O-N 2.98Å
249D98.9Very high98.6Very high47 Ų4737.9 Ų37.925%0.25118%0.18SC..THydrogen-bonded Turntrans-61.9-17172.8-78.14.8000114.1A229 V230 Q251 E276A229-D249 HydrophobicContact CB-CB 3.55Å; V230-D249 HydrophobicContact CB-CB 4.38Å; V230-D249 WeakPolarHBondContact CB-OD2 3.25Å; V230-D249 PolarHBondContact O-N 2.89Å; D249-Q251 PolarHBondContact O-N 2.83Å; D249-Q251 VanDerWaalsContact O-N 3.12Å; D249-E276 HydrophobicContact CB-CG 3.93Å; D249-E276 WeakPolarHBondContact OD1-CB 3.42Å; D249-E276 VanDerWaalsContact OD1-CG 3.31Å; D249-E276 WeakPolarHBondContact OD1-CG 3.4Å
250D98.7Very high98.6Very high23 Ų2335.6 Ų35.612%0.12317%0.173CC..THydrogen-bonded Turntrans-78.112.917565.113.2000113H227 T228 A229 A248 K252H227-D250 VanDerWaalsContact CA-OD2 3.32Å; H227-D250 WeakPolarHBondContact CA-OD2 3.3Å; H227-D250 IonicContact CE1-OD1 2.72Å; H227-D250 IonicContact CG-OD2 2.75Å; H227-D250 IonicContact ND1-OD1 2.92Å; H227-D250 PolarHBondContact ND1-OD1 2.86Å; H227-D250 IonicContact ND1-OD2 3.3Å; H227-D250 PolarHBondContact ND1-OD2 3.2Å; H227-D250 VanDerWaalsContact ND1-OD2 3.08Å; T228-D250 PolarHBondContact N-OD2 3.12Å; T228-D250 PolarHBondContact OG1-OD2 2.93Å; A229-D250 HydrophobicContact CB-CB 3.88Å; A248-D250 WeakPolarHBondContact CB-OD1 3.43Å; A248-D250 PolarHBondContact O-N 2.91Å; A248-D250 VanDerWaalsContact O-N 3.16Å; D250-K252 WeakPolarHBondContact O-CG 3.24Å; D250-K252 PolarHBondContact O-N 2.8Å; D250-K252 WeakPolarHBondContact OD1-CB 3.21Å; D250-K252 PolarHBondContact OD1-N 2.91Å
251Q98.8Very high98.4Very high75 Ų7539.8 Ų39.835%0.3520%0.198SC..SBendtrans67.113.8175.2-44.6-175.6-16.200113.6A248 D249 A272 T274 A275A248-Q251 PolarHBondContact O-N 3.13Å; A248-Q251 VanDerWaalsContact O-N 3.14Å; D249-Q251 PolarHBondContact O-N 2.83Å; D249-Q251 VanDerWaalsContact O-N 3.12Å; Q251-A272 PolarHBondContact O-N 3.02Å; Q251-T274 PolarHBondContact NE2-O 2.74Å; Q251-A275 WeakPolarHBondContact CG-O 3.43Å
252K98.8Very high98.4Very high56 Ų5638.8 Ų38.824%0.24320%0.196CC..EExtended strand (participates in β ladder)trans-104.2142.6-172.5-67.7172.5-172.5-60.30113V247 D250 M254 V270 D271V247-K252 WeakPolarHBondContact CA-O 3.47Å; D250-K252 WeakPolarHBondContact O-CG 3.24Å; D250-K252 PolarHBondContact O-N 2.8Å; D250-K252 WeakPolarHBondContact OD1-CB 3.21Å; D250-K252 PolarHBondContact OD1-N 2.91Å; K252-M254 HydrophobicContact CB-CE 4.26Å; K252-M254 HydrophobicContact CB-CG 4.42Å; K252-M254 HydrophobicContact CD-CE 3.62Å; K252-V270 VanDerWaalsContact CA-O 3.23Å; K252-V270 WeakPolarHBondContact CA-O 3.21Å; K252-D271 IonicContact NZ-OD1 3.7Å; K252-D271 PolarHBondContact NZ-OD1 2.6Å
253L98.9Very high98.3Very high2 Ų240.3 Ų40.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-95.6123.5155.1170.563.4000108.4V247 I255 A269 V270 A272 L280 L290 T292 W302 L307V247-L253 HydrophobicContact CG1-CB 4.49Å; V247-L253 HydrophobicContact CG1-CD1 3.88Å; L253-I255 HydrophobicContact CD1-CD1 4.13Å; L253-I255 HydrophobicContact CG-CD1 4.43Å; L253-A269 WeakPolarHBondContact O-CA 3.17Å; L253-V270 PolarHBondContact N-O 3.41Å; L253-V270 PolarHBondContact O-N 3.15Å; L253-A272 HydrophobicContact CB-CB 3.85Å; L253-L280 HydrophobicContact CD1-CD1 4.2Å; L253-L290 HydrophobicContact CD1-CD1 3.94Å; L253-L290 HydrophobicContact CD2-CD1 3.91Å; L253-T292 HydrophobicContact CD1-CG2 4.16Å; L253-T292 HydrophobicContact CD2-CG2 4.25Å; L253-W302 HydrophobicContact CD2-CD2 4.2Å; L253-W302 HydrophobicContact CD2-CG 4Å; L253-L307 HydrophobicContact CD2-CD2 4.26Å
254M98.9Very high98.3Very high7 Ų741.8 Ų41.83%0.03422%0.218CC..EExtended strand (participates in β ladder)trans-114.3132.5173.6-64.5-169-174.900110.9G245 S246 K252 W256 P266 H268 A269G245-M254 CarbonylContact C-O 3.58Å; G245-M254 VanDerWaalsContact CA-O 3.31Å; G245-M254 WeakPolarHBondContact CA-O 3.34Å; S246-M254 PolarHBondContact N-O 3.45Å; S246-M254 PolarHBondContact O-N 3.36Å; K252-M254 HydrophobicContact CB-CE 4.26Å; K252-M254 HydrophobicContact CB-CG 4.42Å; K252-M254 HydrophobicContact CD-CE 3.62Å; M254-W256 HydrophobicContact CB-CZ2 4.25Å; M254-W256 HydrophobicContact SD-CH2 4.4Å; M254-W256 HydrophobicContact SD-CZ2 3.65Å; M254-P266 HydrophobicContact CB-CB 3.95Å; M254-P266 HydrophobicContact CB-CG 4.08Å; M254-P266 HydrophobicContact CG-CB 4.38Å; M254-P266 HydrophobicContact CG-CG 3.96Å; M254-P266 HydrophobicContact SD-CB 4.34Å; M254-P266 HydrophobicContact SD-CG 3.71Å; M254-H268 WeakPolarHBondContact CA-O 3.25Å; M254-A269 HydrophobicContact CG-CB 4.08Å
255I98.9Very high98.2Very high8 Ų848.7 Ų48.74%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-107.3125.1171.8-56.2-57.1000109.1L253 P266 S267 H268 F282 L304 L307L253-I255 HydrophobicContact CD1-CD1 4.13Å; L253-I255 HydrophobicContact CG-CD1 4.43Å; I255-P266 WeakPolarHBondContact O-CB 3.37Å; I255-S267 WeakPolarHBondContact O-CB 3.35Å; I255-S267 PolarHBondContact O-N 2.81Å; I255-H268 HydrophobicContact CB-CB 4.25Å; I255-H268 PolarHBondContact N-O 3.18Å; I255-H268 PolarHBondContact O-N 3.05Å; I255-H268 VanDerWaalsContact O-N 3.16Å; I255-F282 HydrophobicContact CD1-CZ 4.25Å; I255-L304 HydrophobicContact CD1-CD2 3.83Å; I255-L304 HydrophobicContact CG1-CD2 3.86Å; I255-L307 HydrophobicContact CG1-CD1 3.62Å
256W98.9Very high98.2Very high4 Ų449.6 Ų49.62%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-111.4155-173.8-60.190.3000111.2I203 F224 L243 F244 S246 M254 T263 P266I203-W256 HydrophobicContact CD1-CZ2 4.39Å; F224-W256 HydrophobicContact CB-CE3 4.31Å; F224-W256 HydrophobicContact CB-CH2 4.01Å; F224-W256 HydrophobicContact CB-CZ2 4.38Å; F224-W256 HydrophobicContact CB-CZ3 3.98Å; F224-W256 HydrophobicContact CD1-CD2 4.3Å; F224-W256 AromaticContact CD1-CE3 3.62Å; F224-W256 HydrophobicContact CD1-CE3 3.62Å; F224-W256 AromaticContact CD1-CZ3 3.85Å; F224-W256 HydrophobicContact CD1-CZ3 3.85Å; F224-W256 HydrophobicContact CE1-CE3 4.36Å; F224-W256 HydrophobicContact CG-CE3 4.28Å; F224-W256 HydrophobicContact CG-CZ3 4.36Å; L243-W256 WeakPolarHBondContact CA-O 3.39Å; L243-W256 WeakPolarHBondContact CD2-O 3.47Å; F244-W256 HydrophobicContact CD1-CB 3.7Å; F244-W256 HydrophobicContact CD2-CB 3.92Å; F244-W256 AromaticContact CD2-CD1 3.68Å; F244-W256 HydrophobicContact CD2-CG 4.02Å; F244-W256 HydrophobicContact CE1-CB 3.28Å; F244-W256 HydrophobicContact CE1-CG 4.01Å; F244-W256 HydrophobicContact CE2-CB 3.53Å; F244-W256 AromaticContact CE2-CD1 3.22Å; F244-W256 HydrophobicContact CE2-CD2 4.19Å; F244-W256 AromaticContact CE2-CG 3.37Å; F244-W256 HydrophobicContact CE2-CG 3.37Å; F244-W256 AromaticContact CE2-NE1 3.93Å; F244-W256 HydrophobicContact CG-CB 4Å; F244-W256 HydrophobicContact CZ-CB 3.19Å; F244-W256 AromaticContact CZ-CD1 3.75Å; F244-W256 HydrophobicContact CZ-CD2 4.03Å; F244-W256 AromaticContact CZ-CG 3.37Å; F244-W256 HydrophobicContact CZ-CG 3.37Å; F244-W256 PolarHBondContact N-O 3.23Å; F244-W256 PolarHBondContact O-N 2.89Å; S246-W256 PolarHBondContact OG-NE1 2.9Å; M254-W256 HydrophobicContact CB-CZ2 4.25Å; M254-W256 HydrophobicContact SD-CH2 4.4Å; M254-W256 HydrophobicContact SD-CZ2 3.65Å; W256-T263 WeakPolarHBondContact CZ3-O 3.43Å; W256-P266 HydrophobicContact CD2-CB 3.79Å; W256-P266 HydrophobicContact CE3-CB 3.87Å; W256-P266 HydrophobicContact CG-CB 4.38Å; W256-P266 HydrophobicContact CH2-CB 4.16Å; W256-P266 HydrophobicContact CZ2-CB 4.07Å; W256-P266 HydrophobicContact CZ3-CB 4.05Å
257D98.6Very high98.1Very high26 Ų2652.3 Ų52.314%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-132.8116.5172.5-170.5-29.1000108.8S242 L243 R259 S260 S267S242-D257 WeakPolarHBondContact O-CA 3.41Å; L243-D257 HydrophobicContact CD2-CB 3.9Å; D257-R259 PolarHBondContact O-N 3.46Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 VanDerWaalsContact OD1-CB 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.37Å; D257-R259 WeakPolarHBondContact OD1-CG 3.47Å; D257-R259 IonicContact OD1-CZ 2.91Å; D257-R259 PolarHBondContact OD1-N 3.2Å; D257-R259 IonicContact OD1-NE 3.57Å; D257-R259 PolarHBondContact OD1-NE 3.36Å; D257-R259 IonicContact OD1-NH2 2.74Å; D257-R259 IonicContact OD2-CZ 3.11Å; D257-R259 VanDerWaalsContact OD2-CZ 3.32Å; D257-R259 IonicContact OD2-NE 3.83Å; D257-R259 PolarHBondContact OD2-NE 3.37Å; D257-R259 IonicContact OD2-NH2 3.84Å; D257-R259 PolarHBondContact OD2-NH2 2.54Å; D257-S260 VanDerWaalsContact O-CB 3.24Å; D257-S260 WeakPolarHBondContact O-CB 3.34Å; D257-S260 PolarHBondContact O-N 3.23Å; D257-S267 WeakPolarHBondContact CB-OG 3.34Å
258T98.3Very high98.1Very high48 Ų4857.3 Ų57.329%0.29430%0.295SS..THydrogen-bonded Turntrans-65.1-13-178.653.70000114L205 F224 W236 S242 F244 S260L205-T258 HydrophobicContact CD2-CG2 4.21Å; F224-T258 HydrophobicContact CZ-CG2 4.27Å; W236-T258 HydrophobicContact CH2-CG2 3.77Å; W236-T258 HydrophobicContact CZ3-CG2 4.04Å; S242-T258 WeakPolarHBondContact CA-OG1 3.38Å; S242-T258 WeakPolarHBondContact CB-OG1 3.27Å; S242-T258 PolarHBondContact O-N 3.2Å; S242-T258 PolarHBondContact O-OG1 3.33Å; F244-T258 HydrophobicContact CD1-CG2 4.13Å; F244-T258 HydrophobicContact CE1-CG2 3.89Å; T258-S260 VanDerWaalsContact C-N 3.29Å
259R97.9Very high98.1Very high175 Ų17559.8 Ų59.866%0.6632%0.316SS*.THydrogen-bonded Turntrans-79.5-14.4173.9-56169.7-64-175.71112.3D257D257-R259 PolarHBondContact O-N 3.46Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 VanDerWaalsContact OD1-CB 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.37Å; D257-R259 WeakPolarHBondContact OD1-CG 3.47Å; D257-R259 IonicContact OD1-CZ 2.91Å; D257-R259 PolarHBondContact OD1-N 3.2Å; D257-R259 IonicContact OD1-NE 3.57Å; D257-R259 PolarHBondContact OD1-NE 3.36Å; D257-R259 IonicContact OD1-NH2 2.74Å; D257-R259 IonicContact OD2-CZ 3.11Å; D257-R259 VanDerWaalsContact OD2-CZ 3.32Å; D257-R259 IonicContact OD2-NE 3.83Å; D257-R259 PolarHBondContact OD2-NE 3.37Å; D257-R259 IonicContact OD2-NH2 3.84Å; D257-R259 PolarHBondContact OD2-NH2 2.54Å
260S97.2Very high98Very high52 Ų5258.6 Ų58.636%0.36431%0.311SS..  trans-72.1133.8174.5179.50000110.6D257 T258 N262D257-S260 VanDerWaalsContact O-CB 3.24Å; D257-S260 WeakPolarHBondContact O-CB 3.34Å; D257-S260 PolarHBondContact O-N 3.23Å; T258-S260 VanDerWaalsContact C-N 3.29Å; S260-N262 PolarHBondContact O-N 2.99Å; S260-N262 PolarHBondContact OG-N 2.79Å; S260-N262 VanDerWaalsContact OG-N 3.16Å; S260-N262 PolarHBondContact OG-O 3.31Å
261N94.3Very high98Very high170 Ų17063 Ų6391%0.90933%0.334SS*.SBendtrans-76.3-9.2172.3-67.5-37000113
262N96.8Very high98Very high73 Ų7359.6 Ų59.639%0.3932%0.319SS..  trans-100.2106.1-179.9-170.7-18.1000110.1S260 S264 K265S260-N262 PolarHBondContact O-N 2.99Å; S260-N262 PolarHBondContact OG-N 2.79Å; S260-N262 VanDerWaalsContact OG-N 3.16Å; S260-N262 PolarHBondContact OG-O 3.31Å; N262-S264 PolarHBondContact OD1-N 2.89Å; N262-S264 PolarHBondContact OD1-OG 3.25Å; N262-S264 VanDerWaalsContact OD1-OG 3.08Å; N262-K265 PolarHBondContact OD1-N 3.41Å
263T97.3Very high98Very high47 Ų4757.4 Ų57.429%0.28831%0.309SS..SBendtrans-90.5-6.8-178.965.20000113.1T222 I223 F224 T225 W256T222-T263 HydrophobicContact CG2-CG2 3.47Å; T222-T263 VanDerWaalsContact CG2-CG2 3.47Å; I223-T263 WeakPolarHBondContact O-CB 3.39Å; I223-T263 PolarHBondContact O-OG1 3.37Å; F224-T263 CarbonylContact C-O 3.56Å; F224-T263 WeakPolarHBondContact CA-O 3.31Å; F224-T263 HydrophobicContact CD1-CG2 4.35Å; F224-T263 HydrophobicContact CE1-CG2 4.35Å; T225-T263 PolarHBondContact N-O 2.89Å; W256-T263 WeakPolarHBondContact CZ3-O 3.43Å
264S97.8Very high98Very high65 Ų6562.7 Ų62.746%0.45534%0.342SS..SBendtrans-99.50.4177.477.90000112.9T225 N262T225-S264 WeakPolarHBondContact OG1-CB 3.18Å; N262-S264 PolarHBondContact OD1-N 2.89Å; N262-S264 PolarHBondContact OD1-OG 3.25Å; N262-S264 VanDerWaalsContact OD1-OG 3.08Å
265K97.8Very high97.9Very high144 Ų14463.2 Ų63.263%0.62635%0.347SS*.SBendtrans-139119.1179.6-172.8-178.7177.5-178.90110.3N262N262-K265 PolarHBondContact OD1-N 3.41Å
266P98.3Very high97.9Very high19 Ų1966.7 Ų66.712%0.12336%0.363CS..  trans-71.5165.1176.533.9-39.5000111.7M254 I255 W256 H268 A269M254-P266 HydrophobicContact CB-CB 3.95Å; M254-P266 HydrophobicContact CB-CG 4.08Å; M254-P266 HydrophobicContact CG-CB 4.38Å; M254-P266 HydrophobicContact CG-CG 3.96Å; M254-P266 HydrophobicContact SD-CB 4.34Å; M254-P266 HydrophobicContact SD-CG 3.71Å; I255-P266 WeakPolarHBondContact O-CB 3.37Å; W256-P266 HydrophobicContact CD2-CB 3.79Å; W256-P266 HydrophobicContact CE3-CB 3.87Å; W256-P266 HydrophobicContact CG-CB 4.38Å; W256-P266 HydrophobicContact CH2-CB 4.16Å; W256-P266 HydrophobicContact CZ2-CB 4.07Å; W256-P266 HydrophobicContact CZ3-CB 4.05Å; P266-H268 VanDerWaalsContact C-N 3.35Å; P266-H268 WeakPolarHBondContact CB-O 3.38Å; P266-A269 HydrophobicContact CG-CB 3.88Å
267S98.1Very high97.9Very high57 Ų5766.5 Ų66.540%0.39936%0.363SS..SBendtrans-65.3-41.9173-59.90000110.7I255 D257I255-S267 WeakPolarHBondContact O-CB 3.35Å; I255-S267 PolarHBondContact O-N 2.81Å; D257-S267 WeakPolarHBondContact CB-OG 3.34Å
268H98.3Very high98Very high105 Ų10565.7 Ų65.749%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-135.7144.9173.3-61.2-77.2000110.3M254 I255 P266 L307M254-H268 WeakPolarHBondContact CA-O 3.25Å; I255-H268 HydrophobicContact CB-CB 4.25Å; I255-H268 PolarHBondContact N-O 3.18Å; I255-H268 PolarHBondContact O-N 3.05Å; I255-H268 VanDerWaalsContact O-N 3.16Å; P266-H268 VanDerWaalsContact C-N 3.35Å; P266-H268 WeakPolarHBondContact CB-O 3.38Å; H268-L307 HydrophobicContact CB-CD1 3.76Å
269A98.1Very high98Very high52 Ų5263.4 Ų63.443%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-139.3133.7170.600000107.9L253 M254 P266L253-A269 WeakPolarHBondContact O-CA 3.17Å; M254-A269 HydrophobicContact CG-CB 4.08Å; P266-A269 HydrophobicContact CG-CB 3.88Å
270V98Very high98Very high23 Ų2355.2 Ų55.214%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-136.7139.6-177.6177.70000109.3K252 L253 A272 W302 L307K252-V270 VanDerWaalsContact CA-O 3.23Å; K252-V270 WeakPolarHBondContact CA-O 3.21Å; L253-V270 PolarHBondContact N-O 3.41Å; L253-V270 PolarHBondContact O-N 3.15Å; V270-A272 PolarHBondContact O-N 3.38Å; V270-A272 VanDerWaalsContact O-N 3.16Å; V270-W302 HydrophobicContact CG1-CH2 4.06Å; V270-W302 HydrophobicContact CG1-CZ3 3.96Å; V270-L307 WeakPolarHBondContact CG1-O 3.44Å; V270-L307 HydrophobicContact CG2-CB 3.64Å; V270-L307 WeakPolarHBondContact CG2-O 3.3Å
271D98.4Very high98.1Very high114 Ų11453.1 Ų53.161%0.6130%0.299SS*.EExtended strand (participates in β ladder)trans-72100.5167.9-55.4-45000107.2K252K252-D271 IonicContact NZ-OD1 3.7Å; K252-D271 PolarHBondContact NZ-OD1 2.6Å
272A98.1Very high98.3Very high4 Ų445.4 Ų45.43%0.03326%0.257CS..  trans-86.5-37.4-164.600000112.4Q251 L253 V270 V277 W302 K310Q251-A272 PolarHBondContact O-N 3.02Å; L253-A272 HydrophobicContact CB-CB 3.85Å; V270-A272 PolarHBondContact O-N 3.38Å; V270-A272 VanDerWaalsContact O-N 3.16Å; A272-V277 HydrophobicContact CB-CG2 4.37Å; A272-W302 HydrophobicContact CB-CH2 4.26Å; A272-W302 HydrophobicContact CB-CZ2 3.64Å; A272-W302 WeakPolarHBondContact O-CZ2 3.43Å; A272-K310 WeakPolarHBondContact O-CE 3.46Å; A272-K310 PolarHBondContact O-NZ 3.35Å
273H98.7Very high98.4Very high10 Ų1042.2 Ų42.25%0.04624%0.24CC..  trans-141.5172.6-170.7-77.4-88.1000111.1V277 T292 S294 D296 T298 A300H273-V277 HydrophobicContact CB-CG2 3.69Å; H273-T292 PolarHBondContact NE2-O 2.96Å; H273-T292 PolarHBondContact NE2-OG1 3.13Å; H273-S294 WeakPolarHBondContact CB-OG 3.5Å; H273-S294 VanDerWaalsContact CG-CB 3.41Å; H273-S294 WeakPolarHBondContact ND1-CB 3.24Å; H273-D296 WeakPolarHBondContact CB-OD2 3.5Å; H273-D296 IonicContact CE1-OD1 3.96Å; H273-D296 IonicContact CG-OD2 3.56Å; H273-D296 IonicContact ND1-OD1 3.7Å; H273-D296 PolarHBondContact ND1-OD1 3.33Å; H273-D296 VanDerWaalsContact ND1-OD1 3.15Å; H273-D296 IonicContact ND1-OD2 2.71Å; H273-D296 PolarHBondContact ND1-OD2 3.45Å; H273-T298 PolarHBondContact CE1-O 3.18Å; H273-T298 PolarHBondContact CE1-OG1 3.37Å; H273-T298 PolarHBondContact ND1-OG1 3.07Å; H273-A300 WeakPolarHBondContact NE2-CB 3.42Å
274T98.5Very high98.5Very high114 Ų11442.3 Ų42.370%0.69924%0.242SC*.SBendtrans-93.9-2.1176.953.10000113.8Q251 D296Q251-T274 PolarHBondContact NE2-O 2.74Å; T274-D296 PolarHBondContact N-OD2 2.75Å; T274-D296 VanDerWaalsContact N-OD2 3.08Å; T274-D296 WeakPolarHBondContact OG1-CB 3.42Å; T274-D296 PolarHBondContact OG1-OD2 2.9Å
275A98.7Very high98.5Very high17 Ų1744.8 Ų44.814%0.1424%0.242CC..SBendtrans-142.9-175.9177.800000109.8Q251 A295 D296Q251-A275 WeakPolarHBondContact CG-O 3.43Å; A275-A295 HydrophobicContact CB-CB 3.91Å; A275-D296 HydrophobicContact CB-CB 3.9Å
276E98.8Very high98.5Very high82 Ų8240 Ų4038%0.38323%0.227SC..  trans-52.9133.1178.8-63.978.9-176.500111.4D249 S294 A295D249-E276 HydrophobicContact CB-CG 3.93Å; D249-E276 WeakPolarHBondContact OD1-CB 3.42Å; D249-E276 VanDerWaalsContact OD1-CG 3.31Å; D249-E276 WeakPolarHBondContact OD1-CG 3.4Å; E276-S294 CarbonylContact O-C 3.47Å; E276-S294 VanDerWaalsContact O-CA 3.31Å; E276-S294 WeakPolarHBondContact O-CA 3.28Å; E276-S294 WeakPolarHBondContact O-CB 3.37Å; E276-S294 PolarHBondContact O-OG 3.45Å; E276-A295 HydrophobicContact CB-CB 4.13Å; E276-A295 PolarHBondContact O-N 2.81Å
277V98.9Very high98.5Very high0 Ų042.7 Ų42.70%024%0.238CC..EExtended strand (participates in β ladder)trans-104109.1-179.2-170.60000108.9E232 V247 A248 A272 H273 T292E232-V277 WeakPolarHBondContact CB-O 3.23Å; V247-V277 HydrophobicContact CB-CB 3.85Å; V247-V277 HydrophobicContact CB-CG1 3.53Å; V247-V277 WeakPolarHBondContact CB-O 3.27Å; V247-V277 HydrophobicContact CG1-CB 4.35Å; V247-V277 HydrophobicContact CG1-CG1 3.59Å; V247-V277 HydrophobicContact CG2-CG1 4.07Å; V247-V277 VanDerWaalsContact CG2-O 3.29Å; V247-V277 WeakPolarHBondContact CG2-O 3.31Å; A248-V277 PolarHBondContact N-O 2.78Å; A248-V277 PolarHBondContact O-N 2.98Å; A272-V277 HydrophobicContact CB-CG2 4.37Å; H273-V277 HydrophobicContact CB-CG2 3.69Å; V277-T292 HydrophobicContact CG1-CG2 4.42Å
278N98.9Very high98.5Very high9 Ų943.2 Ų43.25%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-92.5-23.8-164.9-62.2-31.9000114G293 I321 F322N278-G293 PolarHBondContact N-O 2.93Å; N278-I321 VanDerWaalsContact CB-O 3.28Å; N278-I321 WeakPolarHBondContact CB-O 3.44Å; N278-I321 PolarHBondContact ND2-O 2.78Å; N278-F322 HydrophobicContact CB-CD1 4.27Å
279C98.8Very high98.5Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-151.8153.7-174.255.10000113T292 G293 F322 Q323 V324C279-T292 VanDerWaalsContact O-CA 3.3Å; C279-T292 WeakPolarHBondContact O-CA 3.39Å; C279-G293 PolarHBondContact N-O 2.96Å; C279-G293 PolarHBondContact O-N 3.2Å; C279-G293 VanDerWaalsContact SG-CA 3.58Å; C279-F322 WeakPolarHBondContact CB-O 2.97Å; C279-Q323 VanDerWaalsContact SG-C 3.54Å; C279-V324 HydrophobicContact CB-CG1 4.13Å
280L98.9Very high98.5Very high2 Ų237.1 Ų37.11%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-141.6150.7170.379.1159.6000112.4D233 G245 V247 L253 F282 L290 A291 T292D233-L280 HydrophobicContact CB-CD2 3.81Å; D233-L280 PolarHBondContact OD2-N 3.23Å; G245-L280 VanDerWaalsContact C-CD1 3.46Å; V247-L280 HydrophobicContact CG1-CB 3.95Å; V247-L280 HydrophobicContact CG1-CD1 4.47Å; V247-L280 HydrophobicContact CG1-CD2 4.26Å; V247-L280 HydrophobicContact CG1-CG 4.45Å; V247-L280 HydrophobicContact CG2-CB 4.47Å; V247-L280 HydrophobicContact CG2-CD2 3.88Å; L253-L280 HydrophobicContact CD1-CD1 4.2Å; L280-F282 HydrophobicContact CD1-CE2 4.27Å; L280-L290 HydrophobicContact CD1-CD1 4.32Å; L280-A291 CarbonylContact C-O 3.47Å; L280-A291 VanDerWaalsContact CA-O 3.28Å; L280-A291 WeakPolarHBondContact CA-O 3.37Å; L280-T292 HydrophobicContact CB-CG2 3.98Å
281S98.9Very high98.6Very high9 Ų936 Ų366%0.06319%0.19CC..EExtended strand (participates in β ladder)trans-145127.3174.3-164.80000111.7L290 A291 V324 W326S281-L290 CarbonylContact O-C 3.58Å; S281-L290 VanDerWaalsContact O-CA 3.28Å; S281-L290 WeakPolarHBondContact O-CA 3.43Å; S281-L290 WeakPolarHBondContact O-CB 3.38Å; S281-A291 PolarHBondContact N-O 3.19Å; S281-A291 PolarHBondContact O-N 3.04Å; S281-V324 WeakPolarHBondContact CB-O 3.31Å; S281-W326 PolarHBondContact O-NE1 2.83Å
282F98.9Very high98.6Very high7 Ų730.6 Ų30.63%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-78140.1171.3-75.4-83000109.9S235 W236 H237 L238 I255 L280 L290 L304 W326S235-F282 WeakPolarHBondContact O-CE2 3.45Å; W236-F282 WeakPolarHBondContact O-CD2 3.24Å; H237-F282 AromaticContact CD2-CD1 3.96Å; H237-F282 AromaticContact CD2-CE1 3.9Å; L238-F282 HydrophobicContact CD1-CB 4.31Å; L238-F282 HydrophobicContact CG-CB 4.25Å; I255-F282 HydrophobicContact CD1-CZ 4.25Å; L280-F282 HydrophobicContact CD1-CE2 4.27Å; F282-L290 HydrophobicContact CD1-CB 3.86Å; F282-L290 HydrophobicContact CE1-CB 4.14Å; F282-L290 HydrophobicContact CE1-CD1 4.33Å; F282-L290 HydrophobicContact CE1-CD2 4.11Å; F282-L290 HydrophobicContact CE1-CG 4.43Å; F282-L290 HydrophobicContact CG-CB 4.3Å; F282-L290 HydrophobicContact CZ-CD1 4.38Å; F282-L304 HydrophobicContact CE1-CD1 4.06Å; F282-L304 HydrophobicContact CE1-CD2 4.3Å; F282-W326 VanDerWaalsContact O-CD1 3.24Å
283N98.8Very high98.6Very high7 Ų730.4 Ų30.44%0.03716%0.159CC..  trans-70.7128.3175.8-172.8-55.5000109.8Y285 S286 I289 W326 E331N283-Y285 PolarHBondContact O-N 3.45Å; N283-Y285 WeakPolarHBondContact OD1-CA 3.49Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.46Å; N283-Y285 PolarHBondContact OD1-N 2.7Å; N283-S286 PolarHBondContact OD1-N 3.41Å; N283-I289 HydrophobicContact CB-CB 4.04Å; N283-I289 HydrophobicContact CB-CG2 4.21Å; N283-I289 WeakPolarHBondContact CB-O 3.32Å; N283-I289 PolarHBondContact N-O 3.46Å; N283-W326 HydrophobicContact CB-CD2 3.91Å; N283-W326 HydrophobicContact CB-CE3 4.39Å; N283-W326 HydrophobicContact CB-CG 4.21Å; N283-W326 HydrophobicContact CB-CZ2 4.17Å; N283-W326 WeakPolarHBondContact ND2-CZ3 3.4Å; N283-E331 PolarHBondContact ND2-O 2.85Å
284P98.1Very high98.6Very high49 Ų4930 Ų3032%0.31816%0.157SC..SBendtrans-70.1-18.2-178.824.5-30.3000114.2L238 W326L238-P284 VanDerWaalsContact CD1-CA 3.48Å; L238-P284 HydrophobicContact CD1-CB 3.8Å; P284-W326 HydrophobicContact CG-CB 4.32Å
285Y98.3Very high98.7Very high116 Ų11625.2 Ų25.246%0.45513%0.129SC..SBendtrans-106.6-33.4-176.6-62.8-76.7000113N283 P328 H329 E331N283-Y285 PolarHBondContact O-N 3.45Å; N283-Y285 WeakPolarHBondContact OD1-CA 3.49Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.46Å; N283-Y285 PolarHBondContact OD1-N 2.7Å; Y285-P328 VanDerWaalsContact OH-C 3.25Å; Y285-P328 PolarHBondContact OH-O 3.42Å; Y285-H329 VanDerWaalsContact OH-CA 3.31Å; Y285-H329 WeakPolarHBondContact OH-CA 3.41Å; Y285-E331 VanDerWaalsContact CB-CB 3.47Å; Y285-E331 HydrophobicContact CD2-CB 3.84Å; Y285-E331 HydrophobicContact CG-CB 3.78Å
286S98Very high98.7Very high45 Ų4525.9 Ų25.932%0.31513%0.13SC..  trans-109.1102.7-176.8-69.70000111.8N283 F288 I289N283-S286 PolarHBondContact OD1-N 3.41Å; S286-F288 PolarHBondContact O-N 3.14Å; S286-I289 PolarHBondContact O-N 2.99Å
287E97.8Very high98.7Very high75 Ų7526.3 Ų26.335%0.3513%0.131SC..THydrogen-bonded Turntrans-58.5-24.3-172.475.2-177.9149.900115.1H237 L239 H240H237-E287 PolarHBondContact NE2-O 2.86Å; L239-E287 HydrophobicContact CD1-CB 3.76Å; H240-E287 IonicContact NE2-OE2 2.74Å
288F98.4Very high98.7Very high68 Ų6827.2 Ų27.230%0.29814%0.137SC..THydrogen-bonded Turntrans-97.7-5.9-178.5-58.5-61.5000113.9S286 D303 L304 R305S286-F288 PolarHBondContact O-N 3.14Å; F288-D303 CarbonylContact O-C 3.51Å; F288-D303 WeakPolarHBondContact O-CA 3.32Å; F288-L304 HydrophobicContact CB-CB 4.47Å; F288-L304 HydrophobicContact CD1-CB 4.34Å; F288-L304 PolarHBondContact O-N 3.18Å; F288-R305 HydrophobicContact CB-CG 4.33Å; F288-R305 HydrophobicContact CD1-CG 3.6Å; F288-R305 HydrophobicContact CD2-CG 4.36Å; F288-R305 HydrophobicContact CE1-CG 3.97Å; F288-R305 HydrophobicContact CG-CG 3.82Å; F288-R305 HydrophobicContact CZ-CG 4.49Å
289I98.8Very high98.7Very high29 Ų2926.8 Ų26.815%0.14913%0.134CC..EExtended strand (participates in β ladder)trans-104132.8-169-57.3-58.6000110.4N283 S286 L301 W302 L311 W326N283-I289 HydrophobicContact CB-CB 4.04Å; N283-I289 HydrophobicContact CB-CG2 4.21Å; N283-I289 WeakPolarHBondContact CB-O 3.32Å; N283-I289 PolarHBondContact N-O 3.46Å; S286-I289 PolarHBondContact O-N 2.99Å; I289-L301 HydrophobicContact CG2-CD1 3.65Å; I289-L301 HydrophobicContact CG2-CG 4.37Å; I289-W302 WeakPolarHBondContact CA-O 3.29Å; I289-L311 HydrophobicContact CD1-CD1 3.89Å; I289-W326 HydrophobicContact CG2-CH2 4.01Å; I289-W326 HydrophobicContact CG2-CZ2 3.75Å
290L98.8Very high98.7Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-141160.9166.771.3147000110.8L253 L280 S281 F282 T292 W302 L304 L307L253-L290 HydrophobicContact CD1-CD1 3.94Å; L253-L290 HydrophobicContact CD2-CD1 3.91Å; L280-L290 HydrophobicContact CD1-CD1 4.32Å; S281-L290 CarbonylContact O-C 3.58Å; S281-L290 VanDerWaalsContact O-CA 3.28Å; S281-L290 WeakPolarHBondContact O-CA 3.43Å; S281-L290 WeakPolarHBondContact O-CB 3.38Å; F282-L290 HydrophobicContact CD1-CB 3.86Å; F282-L290 HydrophobicContact CE1-CB 4.14Å; F282-L290 HydrophobicContact CE1-CD1 4.33Å; F282-L290 HydrophobicContact CE1-CD2 4.11Å; F282-L290 HydrophobicContact CE1-CG 4.43Å; F282-L290 HydrophobicContact CG-CB 4.3Å; F282-L290 HydrophobicContact CZ-CD1 4.38Å; L290-T292 HydrophobicContact CD1-CG2 4.48Å; L290-W302 HydrophobicContact CD2-CB 3.9Å; L290-W302 HydrophobicContact CG-CB 4.03Å; L290-W302 PolarHBondContact N-O 3.42Å; L290-W302 PolarHBondContact O-N 3.37Å; L290-L304 HydrophobicContact CD2-CD2 3.6Å; L290-L304 HydrophobicContact CD2-CG 3.87Å; L290-L307 HydrophobicContact CD2-CD2 4.49Å
291A98.9Very high98.7Very high0 Ų027.3 Ų27.30%014%0.137CC..EExtended strand (participates in β ladder)trans-118.8148.9174.200000110.4L280 S281 V299 A300 V324 W326 L334L280-A291 CarbonylContact C-O 3.47Å; L280-A291 VanDerWaalsContact CA-O 3.28Å; L280-A291 WeakPolarHBondContact CA-O 3.37Å; S281-A291 PolarHBondContact N-O 3.19Å; S281-A291 PolarHBondContact O-N 3.04Å; A291-V299 HydrophobicContact CB-CG1 4Å; A291-A300 CarbonylContact C-O 3.46Å; A291-A300 VanDerWaalsContact CA-O 3.27Å; A291-A300 WeakPolarHBondContact CA-O 3.4Å; A291-V324 HydrophobicContact CB-CG2 4.05Å; A291-W326 HydrophobicContact CB-CZ2 4.09Å; A291-L334 HydrophobicContact CB-CD1 4.45Å
292T98.9Very high98.7Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-128.4136.7171.6560000110.4V247 L253 H273 V277 C279 L280 L290 V299 A300 W302V247-T292 HydrophobicContact CG1-CG2 3.91Å; L253-T292 HydrophobicContact CD1-CG2 4.16Å; L253-T292 HydrophobicContact CD2-CG2 4.25Å; H273-T292 PolarHBondContact NE2-O 2.96Å; H273-T292 PolarHBondContact NE2-OG1 3.13Å; V277-T292 HydrophobicContact CG1-CG2 4.42Å; C279-T292 VanDerWaalsContact O-CA 3.3Å; C279-T292 WeakPolarHBondContact O-CA 3.39Å; L280-T292 HydrophobicContact CB-CG2 3.98Å; L290-T292 HydrophobicContact CD1-CG2 4.48Å; T292-V299 CarbonylContact O-C 3.58Å; T292-V299 VanDerWaalsContact O-CA 3.27Å; T292-V299 WeakPolarHBondContact O-CA 3.29Å; T292-V299 WeakPolarHBondContact O-CG1 3.31Å; T292-A300 PolarHBondContact N-O 3.28Å; T292-A300 PolarHBondContact O-N 2.86Å; T292-W302 PolarHBondContact OG1-NE1 2.93Å
293G98.9Very high98.7Very high0 Ų027.6 Ų27.60%014%0.138CC..EExtended strand (participates in β ladder)trans-111.8147.617500000111.5N278 C279N278-G293 PolarHBondContact N-O 2.93Å; C279-G293 PolarHBondContact N-O 2.96Å; C279-G293 PolarHBondContact O-N 3.2Å; C279-G293 VanDerWaalsContact SG-CA 3.58Å
294S98.9Very high98.6Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-142.3160.6-164.8170.50000113.7H273 E276 D296 K297 T298 I321H273-S294 WeakPolarHBondContact CB-OG 3.5Å; H273-S294 VanDerWaalsContact CG-CB 3.41Å; H273-S294 WeakPolarHBondContact ND1-CB 3.24Å; E276-S294 CarbonylContact O-C 3.47Å; E276-S294 VanDerWaalsContact O-CA 3.31Å; E276-S294 WeakPolarHBondContact O-CA 3.28Å; E276-S294 WeakPolarHBondContact O-CB 3.37Å; E276-S294 PolarHBondContact O-OG 3.45Å; S294-D296 VanDerWaalsContact CB-OD1 3.29Å; S294-D296 WeakPolarHBondContact CB-OD1 3.43Å; S294-D296 PolarHBondContact O-N 2.89Å; S294-D296 PolarHBondContact OG-N 3.46Å; S294-D296 PolarHBondContact OG-OD1 3.16Å; S294-D296 PolarHBondContact OG-OD2 3.4Å; S294-K297 PolarHBondContact O-N 3.32Å; S294-T298 PolarHBondContact N-O 3.05Å; S294-I321 PolarHBondContact O-N 2.73Å; S294-I321 VanDerWaalsContact O-N 3.13Å
295A98.8Very high98.6Very high14 Ų1434.4 Ų34.412%0.11616%0.159CC..THydrogen-bonded Turntrans-64.4-14.4168.300000113.2A275 E276 K297 E320A275-A295 HydrophobicContact CB-CB 3.91Å; E276-A295 HydrophobicContact CB-CB 4.13Å; E276-A295 PolarHBondContact O-N 2.81Å; A295-K297 PolarHBondContact O-N 2.87Å; A295-E320 HydrophobicContact CB-CB 4.33Å; A295-E320 HydrophobicContact CB-CG 3.81Å
296D98.7Very high98.6Very high31 Ų3132.5 Ų32.517%0.16616%0.156CC..THydrogen-bonded Turntrans-76.36.8172.272.213.6000114H273 T274 A275 S294 T298H273-D296 WeakPolarHBondContact CB-OD2 3.5Å; H273-D296 IonicContact CE1-OD1 3.96Å; H273-D296 IonicContact CG-OD2 3.56Å; H273-D296 IonicContact ND1-OD1 3.7Å; H273-D296 PolarHBondContact ND1-OD1 3.33Å; H273-D296 VanDerWaalsContact ND1-OD1 3.15Å; H273-D296 IonicContact ND1-OD2 2.71Å; H273-D296 PolarHBondContact ND1-OD2 3.45Å; T274-D296 PolarHBondContact N-OD2 2.75Å; T274-D296 VanDerWaalsContact N-OD2 3.08Å; T274-D296 WeakPolarHBondContact OG1-CB 3.42Å; T274-D296 PolarHBondContact OG1-OD2 2.9Å; A275-D296 HydrophobicContact CB-CB 3.9Å; S294-D296 VanDerWaalsContact CB-OD1 3.29Å; S294-D296 WeakPolarHBondContact CB-OD1 3.43Å; S294-D296 PolarHBondContact O-N 2.89Å; S294-D296 PolarHBondContact OG-N 3.46Å; S294-D296 PolarHBondContact OG-OD1 3.16Å; S294-D296 PolarHBondContact OG-OD2 3.4Å; D296-T298 PolarHBondContact O-N 3Å; D296-T298 WeakPolarHBondContact OD1-CB 3.21Å; D296-T298 PolarHBondContact OD1-N 3.46Å; D296-T298 PolarHBondContact OD1-OG1 3.22Å
297K98.8Very high98.6Very high92 Ų9230.8 Ų30.840%0.414%0.144SC..SBendtrans71.113.2175.8-41.2175.7179.6-159.40113.8S294 A295 K318S294-K297 PolarHBondContact O-N 3.32Å; A295-K297 PolarHBondContact O-N 2.87Å; K297-K318 WeakPolarHBondContact CD-O 3.3Å; K297-K318 WeakPolarHBondContact CE-O 3.32Å; K297-K318 PolarHBondContact NZ-O 3.16Å
298T98.8Very high98.4Very high18 Ų1836 Ų3611%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-116.1148.8179.273.20000111.9H273 S294 D296 F314 E315H273-T298 PolarHBondContact CE1-O 3.18Å; H273-T298 PolarHBondContact CE1-OG1 3.37Å; H273-T298 PolarHBondContact ND1-OG1 3.07Å; S294-T298 PolarHBondContact N-O 3.05Å; D296-T298 PolarHBondContact O-N 3Å; D296-T298 WeakPolarHBondContact OD1-CB 3.21Å; D296-T298 PolarHBondContact OD1-N 3.46Å; D296-T298 PolarHBondContact OD1-OG1 3.22Å; T298-F314 WeakPolarHBondContact CA-O 3.18Å; T298-E315 HydrophobicContact CG2-CG 4.04Å
299V98.9Very high98.3Very high0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-99.2129.5160.6-176.20000107.7A291 T292 S313 F314 I321 V324 L334A291-V299 HydrophobicContact CB-CG1 4Å; T292-V299 CarbonylContact O-C 3.58Å; T292-V299 VanDerWaalsContact O-CA 3.27Å; T292-V299 WeakPolarHBondContact O-CA 3.29Å; T292-V299 WeakPolarHBondContact O-CG1 3.31Å; V299-S313 WeakPolarHBondContact O-CA 3.4Å; V299-F314 HydrophobicContact CB-CB 4.05Å; V299-F314 HydrophobicContact CB-CD2 3.86Å; V299-F314 HydrophobicContact CB-CG 4.37Å; V299-F314 HydrophobicContact CG1-CD2 3.96Å; V299-F314 PolarHBondContact N-O 3.2Å; V299-F314 WeakPolarHBondContact O-CD2 3.16Å; V299-F314 PolarHBondContact O-N 2.92Å; V299-I321 HydrophobicContact CG2-CD1 3.71Å; V299-V324 HydrophobicContact CG1-CG2 4.08Å; V299-L334 HydrophobicContact CG1-CD1 4.02Å
300A98.9Very high98.3Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-103.4137.5175.300000111.3H273 A291 T292 W302 K310H273-A300 WeakPolarHBondContact NE2-CB 3.42Å; A291-A300 CarbonylContact C-O 3.46Å; A291-A300 VanDerWaalsContact CA-O 3.27Å; A291-A300 WeakPolarHBondContact CA-O 3.4Å; T292-A300 PolarHBondContact N-O 3.28Å; T292-A300 PolarHBondContact O-N 2.86Å; A300-W302 HydrophobicContact CB-CZ2 3.91Å; A300-K310 HydrophobicContact CB-CD 3.71Å; A300-K310 HydrophobicContact CB-CG 4.05Å
301L98.9Very high98.3Very high13 Ų1344.6 Ų44.67%0.06821%0.21CC..EExtended strand (participates in β ladder)trans-98.9135.9174-16667.9000110.8I289 L311 H312 F314 W326I289-L301 HydrophobicContact CG2-CD1 3.65Å; I289-L301 HydrophobicContact CG2-CG 4.37Å; L301-L311 HydrophobicContact CB-CB 4.17Å; L301-L311 HydrophobicContact CD2-CB 4.25Å; L301-L311 HydrophobicContact CD2-CD1 4.2Å; L301-L311 HydrophobicContact CG-CB 4.26Å; L301-L311 HydrophobicContact CG-CD1 4.18Å; L301-L311 WeakPolarHBondContact O-CB 3.41Å; L301-L311 PolarHBondContact O-N 2.82Å; L301-H312 HydrophobicContact CB-CB 4.05Å; L301-H312 HydrophobicContact CD2-CB 4.38Å; L301-H312 PolarHBondContact N-O 2.91Å; L301-F314 HydrophobicContact CB-CE2 4.02Å; L301-F314 HydrophobicContact CD1-CE2 4.45Å; L301-W326 HydrophobicContact CD1-CH2 3.78Å; L301-W326 HydrophobicContact CD1-CZ2 3.71Å
302W98.9Very high98.3Very high5 Ų546.9 Ų46.92%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-129.7147-174.1-59.597.1000113.2L253 V270 A272 I289 L290 T292 A300 L307 K310L253-W302 HydrophobicContact CD2-CD2 4.2Å; L253-W302 HydrophobicContact CD2-CG 4Å; V270-W302 HydrophobicContact CG1-CH2 4.06Å; V270-W302 HydrophobicContact CG1-CZ3 3.96Å; A272-W302 HydrophobicContact CB-CH2 4.26Å; A272-W302 HydrophobicContact CB-CZ2 3.64Å; A272-W302 WeakPolarHBondContact O-CZ2 3.43Å; I289-W302 WeakPolarHBondContact CA-O 3.29Å; L290-W302 HydrophobicContact CD2-CB 3.9Å; L290-W302 HydrophobicContact CG-CB 4.03Å; L290-W302 PolarHBondContact N-O 3.42Å; L290-W302 PolarHBondContact O-N 3.37Å; T292-W302 PolarHBondContact OG1-NE1 2.93Å; A300-W302 HydrophobicContact CB-CZ2 3.91Å; W302-L307 HydrophobicContact CB-CD2 3.97Å; W302-L307 HydrophobicContact CE3-CD2 4.46Å; W302-L307 WeakPolarHBondContact CZ3-O 3.44Å; W302-K310 HydrophobicContact CH2-CB 3.95Å; W302-K310 HydrophobicContact CH2-CG 4.38Å; W302-K310 HydrophobicContact CZ2-CB 4.49Å; W302-K310 HydrophobicContact CZ2-CG 4.43Å; W302-K310 HydrophobicContact CZ3-CB 3.96Å
303D98.6Very high98.2Very high18 Ų1848.2 Ų48.210%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-110.1117.7168.5-168.7-36.1000110F288 R305 N306 L307 L311F288-D303 CarbonylContact O-C 3.51Å; F288-D303 WeakPolarHBondContact O-CA 3.32Å; D303-R305 PolarHBondContact O-N 2.88Å; D303-R305 VanDerWaalsContact O-N 3.07Å; D303-R305 WeakPolarHBondContact OD1-CB 3.37Å; D303-R305 VanDerWaalsContact OD1-CG 3.29Å; D303-R305 WeakPolarHBondContact OD1-CG 3.16Å; D303-R305 IonicContact OD1-CZ 3.76Å; D303-R305 PolarHBondContact OD1-N 2.97Å; D303-R305 IonicContact OD1-NE 3.91Å; D303-R305 PolarHBondContact OD1-NE 3.08Å; D303-R305 IonicContact OD1-NH2 3.47Å; D303-R305 IonicContact OD2-CZ 3.79Å; D303-R305 VanDerWaalsContact OD2-CZ 3.29Å; D303-R305 IonicContact OD2-NE 2.93Å; D303-R305 PolarHBondContact OD2-NE 2.88Å; D303-R305 VanDerWaalsContact OD2-NE 3.11Å; D303-R305 IonicContact OD2-NH2 3.79Å; D303-R305 PolarHBondContact OD2-NH2 3.45Å; D303-N306 CarbonylContact O-C 3.53Å; D303-N306 PolarHBondContact O-N 2.99Å; D303-L307 WeakPolarHBondContact O-CD2 3.23Å; D303-L307 PolarHBondContact O-N 3.16Å; D303-L307 VanDerWaalsContact O-N 3.16Å; D303-L311 HydrophobicContact CB-CD1 3.91Å; D303-L311 HydrophobicContact CB-CD2 4.17Å; D303-L311 HydrophobicContact CB-CG 4.09Å
304L98.1Very high98.2Very high29 Ų2948.2 Ų48.215%0.15223%0.23CC..G310 helixtrans-55.8-26.7178.1-73.1179.1000113.4I255 F282 F288 L290 N306 L307I255-L304 HydrophobicContact CD1-CD2 3.83Å; I255-L304 HydrophobicContact CG1-CD2 3.86Å; F282-L304 HydrophobicContact CE1-CD1 4.06Å; F282-L304 HydrophobicContact CE1-CD2 4.3Å; F288-L304 HydrophobicContact CB-CB 4.47Å; F288-L304 HydrophobicContact CD1-CB 4.34Å; F288-L304 PolarHBondContact O-N 3.18Å; L290-L304 HydrophobicContact CD2-CD2 3.6Å; L290-L304 HydrophobicContact CD2-CG 3.87Å; L304-N306 VanDerWaalsContact C-N 3.31Å; L304-L307 HydrophobicContact CD2-CD1 4.31Å; L304-L307 HydrophobicContact CD2-CD2 4.29Å
305R98Very high98.2Very high170 Ų17054 Ų5464%0.64226%0.257SS*.G310 helixtrans-73.7-25179.8-55.6169.9-65.9-172.42.1111.9F288 D303F288-R305 HydrophobicContact CB-CG 4.33Å; F288-R305 HydrophobicContact CD1-CG 3.6Å; F288-R305 HydrophobicContact CD2-CG 4.36Å; F288-R305 HydrophobicContact CE1-CG 3.97Å; F288-R305 HydrophobicContact CG-CG 3.82Å; F288-R305 HydrophobicContact CZ-CG 4.49Å; D303-R305 PolarHBondContact O-N 2.88Å; D303-R305 VanDerWaalsContact O-N 3.07Å; D303-R305 WeakPolarHBondContact OD1-CB 3.37Å; D303-R305 VanDerWaalsContact OD1-CG 3.29Å; D303-R305 WeakPolarHBondContact OD1-CG 3.16Å; D303-R305 IonicContact OD1-CZ 3.76Å; D303-R305 PolarHBondContact OD1-N 2.97Å; D303-R305 IonicContact OD1-NE 3.91Å; D303-R305 PolarHBondContact OD1-NE 3.08Å; D303-R305 IonicContact OD1-NH2 3.47Å; D303-R305 IonicContact OD2-CZ 3.79Å; D303-R305 VanDerWaalsContact OD2-CZ 3.29Å; D303-R305 IonicContact OD2-NE 2.93Å; D303-R305 PolarHBondContact OD2-NE 2.88Å; D303-R305 VanDerWaalsContact OD2-NE 3.11Å; D303-R305 IonicContact OD2-NH2 3.79Å; D303-R305 PolarHBondContact OD2-NH2 3.45Å
306N97.6Very high98.2Very high75 Ų7555 Ų5540%0.40126%0.263SS..G310 helixtrans-149.372.3176.1-174.821.7000112.3D303 L304 K308 L309D303-N306 CarbonylContact O-C 3.53Å; D303-N306 PolarHBondContact O-N 2.99Å; L304-N306 VanDerWaalsContact C-N 3.31Å; N306-K308 PolarHBondContact O-N 3.15Å; N306-L309 PolarHBondContact O-N 3.28Å
307L97.6Very high98.2Very high10 Ų1054.1 Ų54.15%0.05226%0.258CS..THydrogen-bonded Turntrans-64.4-9.4179-66.3169.1000114.4L253 I255 H268 V270 L290 W302 D303 L304 L309L253-L307 HydrophobicContact CD2-CD2 4.26Å; I255-L307 HydrophobicContact CG1-CD1 3.62Å; H268-L307 HydrophobicContact CB-CD1 3.76Å; V270-L307 WeakPolarHBondContact CG1-O 3.44Å; V270-L307 HydrophobicContact CG2-CB 3.64Å; V270-L307 WeakPolarHBondContact CG2-O 3.3Å; L290-L307 HydrophobicContact CD2-CD2 4.49Å; W302-L307 HydrophobicContact CB-CD2 3.97Å; W302-L307 HydrophobicContact CE3-CD2 4.46Å; W302-L307 WeakPolarHBondContact CZ3-O 3.44Å; D303-L307 WeakPolarHBondContact O-CD2 3.23Å; D303-L307 PolarHBondContact O-N 3.16Å; D303-L307 VanDerWaalsContact O-N 3.16Å; L304-L307 HydrophobicContact CD2-CD1 4.31Å; L304-L307 HydrophobicContact CD2-CD2 4.29Å; L307-L309 PolarHBondContact O-N 3.08Å
308K94.8Very high98.2Very high184 Ų18457.1 Ų57.180%0.827%0.271SS*.THydrogen-bonded Turntrans-70.5-18.8178.5-61.7-178.1-178.3176.70113.2N306N306-K308 PolarHBondContact O-N 3.15Å
309L96.4Very high98.2Very high113 Ų11358.9 Ų58.959%0.59228%0.28SS*.SBendtrans-118.5121.3178.9-64.4177.8000108.3N306 L307 L311N306-L309 PolarHBondContact O-N 3.28Å; L307-L309 PolarHBondContact O-N 3.08Å; L309-L311 PolarHBondContact O-N 3.41Å
310K98Very high98.1Very high77 Ų7762.6 Ų62.634%0.33530%0.297SS..EExtended strand (participates in β ladder)trans-62.8129.4164.8-175.9179.4-62.1-166.30107.7A272 A300 W302 H312A272-K310 WeakPolarHBondContact O-CE 3.46Å; A272-K310 PolarHBondContact O-NZ 3.35Å; A300-K310 HydrophobicContact CB-CD 3.71Å; A300-K310 HydrophobicContact CB-CG 4.05Å; W302-K310 HydrophobicContact CH2-CB 3.95Å; W302-K310 HydrophobicContact CH2-CG 4.38Å; W302-K310 HydrophobicContact CZ2-CB 4.49Å; W302-K310 HydrophobicContact CZ2-CG 4.43Å; W302-K310 HydrophobicContact CZ3-CB 3.96Å; K310-H312 WeakPolarHBondContact CD-O 3.48Å; K310-H312 VanDerWaalsContact CG-O 3.26Å; K310-H312 WeakPolarHBondContact CG-O 3.3Å
311L98.4Very high98.1Very high87 Ų8762.6 Ų62.646%0.45530%0.297SS..EExtended strand (participates in β ladder)trans-73.1-45.3178.8-72.2-178.3000111.1I289 L301 D303 L309I289-L311 HydrophobicContact CD1-CD1 3.89Å; L301-L311 HydrophobicContact CB-CB 4.17Å; L301-L311 HydrophobicContact CD2-CB 4.25Å; L301-L311 HydrophobicContact CD2-CD1 4.2Å; L301-L311 HydrophobicContact CG-CB 4.26Å; L301-L311 HydrophobicContact CG-CD1 4.18Å; L301-L311 WeakPolarHBondContact O-CB 3.41Å; L301-L311 PolarHBondContact O-N 2.82Å; D303-L311 HydrophobicContact CB-CD1 3.91Å; D303-L311 HydrophobicContact CB-CD2 4.17Å; D303-L311 HydrophobicContact CB-CG 4.09Å; L309-L311 PolarHBondContact O-N 3.41Å
312H98.7Very high98.1Very high48 Ų4864.2 Ų64.222%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-155160.5-176.6-163.654000111.5L301 K310 F314 I351 E366L301-H312 HydrophobicContact CB-CB 4.05Å; L301-H312 HydrophobicContact CD2-CB 4.38Å; L301-H312 PolarHBondContact N-O 2.91Å; K310-H312 WeakPolarHBondContact CD-O 3.48Å; K310-H312 VanDerWaalsContact CG-O 3.26Å; K310-H312 WeakPolarHBondContact CG-O 3.3Å; H312-F314 AromaticContact CD2-CD1 3.84Å; H312-F314 AromaticContact CD2-CE1 3.77Å; H312-I351 HydrophobicContact CB-CD1 4.4Å; H312-E366 IonicContact CD2-OE1 3.45Å; H312-E366 IonicContact CE1-OE1 2.88Å; H312-E366 IonicContact NE2-OE1 2.7Å; H312-E366 PolarHBondContact NE2-OE1 2.83Å
313S98.6Very high98.1Very high29 Ų2964 Ų6420%0.20330%0.303CS..EExtended strand (participates in β ladder)trans-127.8114.4174.9-169.80000108.2V299 E315V299-S313 WeakPolarHBondContact O-CA 3.4Å; S313-E315 PolarHBondContact OG-OE1 2.96Å; S313-E315 VanDerWaalsContact OG-OE1 3.14Å
314F98.8Very high98.1Very high0 Ų063.2 Ų63.20%030%0.298CS..EExtended strand (participates in β ladder)trans-86.8120.6176.4-57.9-86.2000109.4T298 V299 L301 H312 L334 W346 I351 E366T298-F314 WeakPolarHBondContact CA-O 3.18Å; V299-F314 HydrophobicContact CB-CB 4.05Å; V299-F314 HydrophobicContact CB-CD2 3.86Å; V299-F314 HydrophobicContact CB-CG 4.37Å; V299-F314 HydrophobicContact CG1-CD2 3.96Å; V299-F314 PolarHBondContact N-O 3.2Å; V299-F314 WeakPolarHBondContact O-CD2 3.16Å; V299-F314 PolarHBondContact O-N 2.92Å; L301-F314 HydrophobicContact CB-CE2 4.02Å; L301-F314 HydrophobicContact CD1-CE2 4.45Å; H312-F314 AromaticContact CD2-CD1 3.84Å; H312-F314 AromaticContact CD2-CE1 3.77Å; F314-L334 HydrophobicContact CD2-CD1 4.28Å; F314-L334 HydrophobicContact CE1-CD2 4.15Å; F314-L334 HydrophobicContact CE2-CD1 3.97Å; F314-L334 HydrophobicContact CE2-CD2 4.23Å; F314-L334 HydrophobicContact CZ-CD1 4.3Å; F314-L334 HydrophobicContact CZ-CD2 3.74Å; F314-W346 HydrophobicContact CB-CD2 4.05Å; F314-W346 HydrophobicContact CB-CE3 3.92Å; F314-W346 HydrophobicContact CB-CH2 3.82Å; F314-W346 HydrophobicContact CB-CZ2 4.02Å; F314-W346 HydrophobicContact CB-CZ3 3.8Å; F314-W346 HydrophobicContact CD1-CB 4.17Å; F314-W346 AromaticContact CD1-CD2 3.95Å; F314-W346 HydrophobicContact CD1-CD2 3.95Å; F314-W346 AromaticContact CD1-CE3 3.75Å; F314-W346 HydrophobicContact CD1-CE3 3.75Å; F314-W346 HydrophobicContact CD1-CG 4.17Å; F314-W346 HydrophobicContact CD1-CZ3 4.36Å; F314-W346 HydrophobicContact CE1-CB 4.17Å; F314-W346 HydrophobicContact CG-CD2 4.24Å; F314-W346 HydrophobicContact CG-CE3 4.24Å; F314-I351 HydrophobicContact CE1-CD1 4.12Å; F314-I351 HydrophobicContact CZ-CD1 4.25Å; F314-E366 HydrophobicContact CD1-CG 3.63Å; F314-E366 HydrophobicContact CE1-CB 4.38Å; F314-E366 HydrophobicContact CE1-CG 3.82Å
315E98.5Very high98.1Very high122 Ų12264.5 Ų64.557%0.5730%0.304SS*.EExtended strand (participates in β ladder)trans-127.4109.7-169.5-63.4-179.117900110.5T298 S313 P364T298-E315 HydrophobicContact CG2-CG 4.04Å; S313-E315 PolarHBondContact OG-OE1 2.96Å; S313-E315 VanDerWaalsContact OG-OE1 3.14Å; E315-P364 WeakPolarHBondContact O-CD 3.25Å
316S98.4Very high98.2Very high34 Ų3456.9 Ų56.924%0.23828%0.275CS..  trans-167.5-30.8174.5176.20000111.6N344 L367S316-N344 WeakPolarHBondContact CB-ND2 3.32Å; S316-N344 PolarHBondContact OG-ND2 3.19Å; S316-L367 VanDerWaalsContact OG-CD2 3.23Å; S316-L367 WeakPolarHBondContact OG-CD2 3.46Å
317H98.6Very high98.2Very high12 Ų1253.3 Ų53.36%0.05626%0.256CS..  trans-55.4142174.4-81.2-69.5000112I321 S336 D340 W346H317-I321 HydrophobicContact CB-CD1 4.04Å; H317-I321 HydrophobicContact CB-CG1 4.02Å; H317-I321 VanDerWaalsContact CD2-CD1 3.41Å; H317-I321 WeakPolarHBondContact CD2-CD1 3.41Å; H317-S336 PolarHBondContact CD2-OG 2.96Å; H317-S336 PolarHBondContact CE1-O 3.35Å; H317-S336 PolarHBondContact NE2-O 2.83Å; H317-S336 PolarHBondContact NE2-OG 3.38Å; H317-D340 VanDerWaalsContact CA-OD2 3.28Å; H317-D340 WeakPolarHBondContact CA-OD2 3.47Å; H317-D340 WeakPolarHBondContact CB-OD2 2.9Å; H317-D340 IonicContact CE1-OD2 3.08Å; H317-D340 IonicContact CG-OD2 3.62Å; H317-D340 IonicContact ND1-OD1 2.72Å; H317-D340 PolarHBondContact ND1-OD1 2.82Å; H317-D340 IonicContact ND1-OD2 3.68Å; H317-D340 PolarHBondContact ND1-OD2 3.42Å; H317-W346 AromaticContact CD2-CZ2 3.91Å
318K98.2Very high98.3Very high155 Ų15554.9 Ų54.967%0.67427%0.266SS*.SBendtrans-99.9-11-175.9-63.3-178.4-177.4176.40112.9K297 D340K297-K318 WeakPolarHBondContact CD-O 3.3Å; K297-K318 WeakPolarHBondContact CE-O 3.32Å; K297-K318 PolarHBondContact NZ-O 3.16Å; K318-D340 HydrophobicContact CB-CB 4.05Å; K318-D340 PolarHBondContact N-OD2 2.88Å
319D98.4Very high98.4Very high56 Ų5648.5 Ų48.530%0.29924%0.239SC..SBendtrans-150.7-177.2-177.5-145.2-22.2000111.2T339 D340D319-T339 HydrophobicContact CB-CG2 4.39Å; D319-T339 WeakPolarHBondContact OD2-CG2 3.24Å; D319-D340 HydrophobicContact CB-CB 3.8Å
320E98.6Very high98.5Very high77 Ų7745.5 Ų45.536%0.3622%0.224SC..  trans-55134.8-176.1-58.2178.9179.700113.1A295 F322 G338 T339A295-E320 HydrophobicContact CB-CB 4.33Å; A295-E320 HydrophobicContact CB-CG 3.81Å; E320-F322 HydrophobicContact CB-CD2 4.41Å; E320-F322 HydrophobicContact CB-CE2 3.82Å; E320-F322 HydrophobicContact CB-CZ 4.49Å; E320-F322 WeakPolarHBondContact OE2-CE2 3.41Å; E320-F322 WeakPolarHBondContact OE2-CZ 3.39Å; E320-G338 CarbonylContact O-C 3.56Å; E320-G338 VanDerWaalsContact O-CA 3.24Å; E320-G338 WeakPolarHBondContact O-CA 3.43Å; E320-T339 PolarHBondContact O-N 3.08Å
321I98.8Very high98.5Very high0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-95.6130.5177.7-59.6168.7000108.9N278 S294 V299 H317N278-I321 VanDerWaalsContact CB-O 3.28Å; N278-I321 WeakPolarHBondContact CB-O 3.44Å; N278-I321 PolarHBondContact ND2-O 2.78Å; S294-I321 PolarHBondContact O-N 2.73Å; S294-I321 VanDerWaalsContact O-N 3.13Å; V299-I321 HydrophobicContact CG2-CD1 3.71Å; H317-I321 HydrophobicContact CB-CD1 4.04Å; H317-I321 HydrophobicContact CB-CG1 4.02Å; H317-I321 VanDerWaalsContact CD2-CD1 3.41Å; H317-I321 WeakPolarHBondContact CD2-CD1 3.41Å
322F98.4Very high98.5Very high48 Ų4843.9 Ų43.921%0.21122%0.217CC..EExtended strand (participates in β ladder)trans-114.5-19.6-176.8-82.2-80.8000114.3N278 C279 E320 S337 T339 K377N278-F322 HydrophobicContact CB-CD1 4.27Å; C279-F322 WeakPolarHBondContact CB-O 2.97Å; E320-F322 HydrophobicContact CB-CD2 4.41Å; E320-F322 HydrophobicContact CB-CE2 3.82Å; E320-F322 HydrophobicContact CB-CZ 4.49Å; E320-F322 WeakPolarHBondContact OE2-CE2 3.41Å; E320-F322 WeakPolarHBondContact OE2-CZ 3.39Å; F322-S337 PolarHBondContact N-O 2.81Å; F322-T339 VanDerWaalsContact CE2-OG1 3.29Å; F322-T339 WeakPolarHBondContact CE2-OG1 3.38Å; F322-K377 VanDerWaalsContact CD2-CE 3.42Å; F322-K377 VanDerWaalsContact CZ-NZ 3.34Å
323Q98.6Very high98.5Very high1 Ų141.8 Ų41.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-141.4141.6179.2-174.860.1-90.700111C279 Q325 S336 S337 D380 F381C279-Q323 VanDerWaalsContact SG-C 3.54Å; Q323-Q325 HydrophobicContact CG-CG 4.22Å; Q323-S336 VanDerWaalsContact O-CA 3.23Å; Q323-S336 WeakPolarHBondContact O-CA 3.4Å; Q323-S337 PolarHBondContact N-O 3.48Å; Q323-S337 PolarHBondContact O-N 2.77Å; Q323-D380 PolarHBondContact NE2-OD1 3.2Å; Q323-F381 HydrophobicContact CB-CD1 3.94Å; Q323-F381 HydrophobicContact CB-CE1 3.73Å; Q323-F381 HydrophobicContact CG-CD1 3.59Å; Q323-F381 HydrophobicContact CG-CE1 3.38Å; Q323-F381 HydrophobicContact CG-CZ 4.19Å
324V98.8Very high98.5Very high0 Ų040.4 Ų40.40%020%0.198CC..EExtended strand (participates in β ladder)trans-137.6132.3171.767.50000109C279 S281 A291 V299 L334 A335C279-V324 HydrophobicContact CB-CG1 4.13Å; S281-V324 WeakPolarHBondContact CB-O 3.31Å; A291-V324 HydrophobicContact CB-CG2 4.05Å; V299-V324 HydrophobicContact CG1-CG2 4.08Å; V324-L334 HydrophobicContact CG2-CD1 4.35Å; V324-A335 WeakPolarHBondContact CA-O 3.39Å; V324-A335 WeakPolarHBondContact CG2-O 3.38Å
325Q98.9Very high98.5Very high57 Ų5740.4 Ų40.427%0.26620%0.198SC..EExtended strand (participates in β ladder)trans-142.6131.1179.3-67-66.7-34.300110.7Q323 A335 F381 W383Q323-Q325 HydrophobicContact CG-CG 4.22Å; Q325-A335 PolarHBondContact N-O 3.3Å; Q325-A335 PolarHBondContact O-N 3.46Å; Q325-F381 HydrophobicContact CB-CE2 3.75Å; Q325-F381 HydrophobicContact CB-CZ 3.8Å; Q325-F381 HydrophobicContact CG-CE2 4.08Å; Q325-F381 HydrophobicContact CG-CZ 4Å; Q325-W383 PolarHBondContact O-NE1 2.8Å; Q325-W383 VanDerWaalsContact O-NE1 3.13Å
326W98.9Very high98.5Very high10 Ų1034.6 Ų34.64%0.03817%0.171CC..EExtended strand (participates in β ladder)trans-69.7146.3168.7-70.696.2000111S281 F282 N283 P284 I289 A291 L301 E331 L334 L348 W383S281-W326 PolarHBondContact O-NE1 2.83Å; F282-W326 VanDerWaalsContact O-CD1 3.24Å; N283-W326 HydrophobicContact CB-CD2 3.91Å; N283-W326 HydrophobicContact CB-CE3 4.39Å; N283-W326 HydrophobicContact CB-CG 4.21Å; N283-W326 HydrophobicContact CB-CZ2 4.17Å; N283-W326 WeakPolarHBondContact ND2-CZ3 3.4Å; P284-W326 HydrophobicContact CG-CB 4.32Å; I289-W326 HydrophobicContact CG2-CH2 4.01Å; I289-W326 HydrophobicContact CG2-CZ2 3.75Å; A291-W326 HydrophobicContact CB-CZ2 4.09Å; L301-W326 HydrophobicContact CD1-CH2 3.78Å; L301-W326 HydrophobicContact CD1-CZ2 3.71Å; W326-E331 WeakPolarHBondContact CZ3-O 3.44Å; W326-L334 HydrophobicContact CD2-CB 4.17Å; W326-L334 HydrophobicContact CE3-CB 3.9Å; W326-L334 HydrophobicContact CH2-CB 4.47Å; W326-L334 HydrophobicContact CH2-CD2 4.15Å; W326-L334 HydrophobicContact CZ3-CB 4.05Å; W326-L334 HydrophobicContact CZ3-CD2 4.05Å; W326-L348 HydrophobicContact CH2-CD2 3.81Å; W326-L348 HydrophobicContact CZ3-CD2 3.78Å; W326-W383 VanDerWaalsContact O-CD1 3.28Å
327S98.7Very high98.6Very high0 Ų033 Ų330%016%0.16CC..  trans-60.5134.5167.8171.70000109.6H329 N330 I333S327-H329 PolarHBondContact O-N 3.17Å; S327-H329 PolarHBondContact OG-N 2.86Å; S327-H329 VanDerWaalsContact OG-N 3.1Å; S327-N330 PolarHBondContact OG-N 2.96Å; S327-I333 WeakPolarHBondContact CB-O 3.3Å; S327-I333 PolarHBondContact N-O 2.96Å
328P98.3Very high98.5Very high42 Ų4232.4 Ų32.427%0.27316%0.157SC..SBendtrans-792.9173.233.5-34.1000112.2Y285 W383Y285-P328 VanDerWaalsContact OH-C 3.25Å; Y285-P328 PolarHBondContact OH-O 3.42Å; P328-W383 HydrophobicContact CG-CB 3.85Å
329H98.2Very high98.5Very high50 Ų5026.7 Ų26.723%0.23114%0.135CC..SBendtrans-121.6-27.5-177-55.9111.4000114.3Y285 S327 N384 P385Y285-H329 VanDerWaalsContact OH-CA 3.31Å; Y285-H329 WeakPolarHBondContact OH-CA 3.41Å; S327-H329 PolarHBondContact O-N 3.17Å; S327-H329 PolarHBondContact OG-N 2.86Å; S327-H329 VanDerWaalsContact OG-N 3.1Å; H329-N384 PolarHBondContact CE1-O 3.21Å; H329-P385 PolarHBondContact NE2-O 3.13Å
330N98.1Very high98.5Very high50 Ų5024.6 Ų24.627%0.26712%0.124SC..  trans-130.3125.4-175.8-59.691.8000109.9S327 T332 I333S327-N330 PolarHBondContact OG-N 2.96Å; N330-T332 PolarHBondContact O-N 3.45Å; N330-I333 HydrophobicContact CB-CB 4.03Å; N330-I333 HydrophobicContact CB-CG1 3.55Å; N330-I333 PolarHBondContact O-N 3.01Å
331E98Very high98.4Very high100 Ų10022.7 Ų22.747%0.46711%0.113SC..THydrogen-bonded Turntrans-68.3-22.4-175.471.4-83.1-157.700114N283 Y285 W326N283-E331 PolarHBondContact ND2-O 2.85Å; Y285-E331 VanDerWaalsContact CB-CB 3.47Å; Y285-E331 HydrophobicContact CD2-CB 3.84Å; Y285-E331 HydrophobicContact CG-CB 3.78Å; W326-E331 WeakPolarHBondContact CZ3-O 3.44Å
332T98.4Very high98.4Very high30 Ų3025 Ų2518%0.18412%0.122CC..THydrogen-bonded Turntrans-90.8-14.9-177.664.50000113.6N330 D347 L348N330-T332 PolarHBondContact O-N 3.45Å; T332-D347 WeakPolarHBondContact CB-OD1 3.31Å; T332-D347 PolarHBondContact OG1-OD1 3.06Å; T332-L348 HydrophobicContact CG2-CD1 3.86Å; T332-L348 HydrophobicContact CG2-CG 4.08Å; T332-L348 WeakPolarHBondContact O-CG 3.2Å; T332-L348 PolarHBondContact O-N 2.77Å
333I98.8Very high98.4Very high5 Ų522.7 Ų22.73%0.02611%0.112CC..EExtended strand (participates in β ladder)trans-97.1127.2-169.1-55.7-60.2000110.7S327 N330 V345 W346 D347 L368 W383 W389S327-I333 WeakPolarHBondContact CB-O 3.3Å; S327-I333 PolarHBondContact N-O 2.96Å; N330-I333 HydrophobicContact CB-CB 4.03Å; N330-I333 HydrophobicContact CB-CG1 3.55Å; N330-I333 PolarHBondContact O-N 3.01Å; I333-V345 HydrophobicContact CG2-CG1 3.71Å; I333-W346 WeakPolarHBondContact CA-O 3.5Å; I333-D347 HydrophobicContact CD1-CB 3.61Å; I333-L368 HydrophobicContact CD1-CD2 4.14Å; I333-W383 HydrophobicContact CG2-CH2 3.78Å; I333-W383 HydrophobicContact CG2-CZ2 3.97Å; I333-W389 HydrophobicContact CB-CH2 4.48Å; I333-W389 HydrophobicContact CD1-CH2 3.73Å; I333-W389 HydrophobicContact CD1-CZ3 4.33Å; I333-W389 HydrophobicContact CG1-CH2 3.62Å; I333-W389 HydrophobicContact CG1-CZ2 4.37Å; I333-W389 HydrophobicContact CG1-CZ3 4.21Å; I333-W389 HydrophobicContact CG2-CH2 4.15Å; I333-W389 HydrophobicContact CG2-CZ3 3.85Å
334L98.6Very high98.5Very high0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-128.7156.2170.167145.8000110.5A291 V299 F314 V324 W326 V345 W346A291-L334 HydrophobicContact CB-CD1 4.45Å; V299-L334 HydrophobicContact CG1-CD1 4.02Å; F314-L334 HydrophobicContact CD2-CD1 4.28Å; F314-L334 HydrophobicContact CE1-CD2 4.15Å; F314-L334 HydrophobicContact CE2-CD1 3.97Å; F314-L334 HydrophobicContact CE2-CD2 4.23Å; F314-L334 HydrophobicContact CZ-CD1 4.3Å; F314-L334 HydrophobicContact CZ-CD2 3.74Å; V324-L334 HydrophobicContact CG2-CD1 4.35Å; W326-L334 HydrophobicContact CD2-CB 4.17Å; W326-L334 HydrophobicContact CE3-CB 3.9Å; W326-L334 HydrophobicContact CH2-CB 4.47Å; W326-L334 HydrophobicContact CH2-CD2 4.15Å; W326-L334 HydrophobicContact CZ3-CB 4.05Å; W326-L334 HydrophobicContact CZ3-CD2 4.05Å; L334-V345 WeakPolarHBondContact O-CA 3.4Å; L334-W346 HydrophobicContact CD1-CB 4.49Å; L334-W346 HydrophobicContact CD1-CG 4.35Å; L334-W346 HydrophobicContact CD2-CB 3.74Å; L334-W346 HydrophobicContact CD2-CG 4.45Å; L334-W346 HydrophobicContact CG-CB 3.81Å; L334-W346 HydrophobicContact CG-CG 4.08Å; L334-W346 PolarHBondContact N-O 3.22Å; L334-W346 VanDerWaalsContact N-O 3.07Å; L334-W346 PolarHBondContact O-N 2.94Å
335A98.9Very high98.5Very high0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-127.4153170.600000111V324 Q325 L343 N344 V345 F381 W383V324-A335 WeakPolarHBondContact CA-O 3.39Å; V324-A335 WeakPolarHBondContact CG2-O 3.38Å; Q325-A335 PolarHBondContact N-O 3.3Å; Q325-A335 PolarHBondContact O-N 3.46Å; A335-L343 HydrophobicContact CB-CD2 3.93Å; A335-N344 CarbonylContact C-O 3.48Å; A335-N344 WeakPolarHBondContact CA-O 3.46Å; A335-V345 HydrophobicContact CB-CG2 4.27Å; A335-F381 HydrophobicContact CB-CE2 3.64Å; A335-F381 HydrophobicContact CB-CZ 3.73Å; A335-F381 WeakPolarHBondContact O-CZ 3.42Å; A335-W383 HydrophobicContact CB-CZ2 3.59Å
336S98.9Very high98.5Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-143.5148.9175.255.70000112H317 Q323 L343 N344 W346H317-S336 PolarHBondContact CD2-OG 2.96Å; H317-S336 PolarHBondContact CE1-O 3.35Å; H317-S336 PolarHBondContact NE2-O 2.83Å; H317-S336 PolarHBondContact NE2-OG 3.38Å; Q323-S336 VanDerWaalsContact O-CA 3.23Å; Q323-S336 WeakPolarHBondContact O-CA 3.4Å; S336-L343 CarbonylContact O-C 3.55Å; S336-L343 VanDerWaalsContact O-CA 3.29Å; S336-L343 WeakPolarHBondContact O-CA 3.46Å; S336-N344 PolarHBondContact N-O 2.95Å; S336-N344 PolarHBondContact O-N 2.83Å; S336-W346 PolarHBondContact OG-NE1 2.83Å
337S98.8Very high98.5Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-145.9160.2179.570.20000112.5F322 Q323 R342 I378 F381F322-S337 PolarHBondContact N-O 2.81Å; Q323-S337 PolarHBondContact N-O 3.48Å; Q323-S337 PolarHBondContact O-N 2.77Å; S337-R342 WeakPolarHBondContact CA-O 3.49Å; S337-I378 WeakPolarHBondContact OG-CG2 3.05Å; S337-F381 WeakPolarHBondContact OG-CD1 3.46Å
338G96.8Very high98.4Very high0 Ų022.6 Ų22.60%011%0.114CC..EExtended strand (participates in β ladder)trans-171.7-147.4179.100000115.8E320 D340 R341 I378E320-G338 CarbonylContact O-C 3.56Å; E320-G338 VanDerWaalsContact O-CA 3.24Å; E320-G338 WeakPolarHBondContact O-CA 3.43Å; G338-D340 VanDerWaalsContact C-N 3.31Å; G338-D340 PolarHBondContact O-N 2.76Å; G338-R341 PolarHBondContact O-N 2.87Å; G338-I378 PolarHBondContact O-N 3.33Å
339T98.3Very high98.4Very high35 Ų3524 Ų2422%0.21513%0.125CC..THydrogen-bonded Turntrans-70.1-25.4-173.2-57.20000113.2D319 E320 F322 R341D319-T339 HydrophobicContact CB-CG2 4.39Å; D319-T339 WeakPolarHBondContact OD2-CG2 3.24Å; E320-T339 PolarHBondContact O-N 3.08Å; F322-T339 VanDerWaalsContact CE2-OG1 3.29Å; F322-T339 WeakPolarHBondContact CE2-OG1 3.38Å; T339-R341 PolarHBondContact O-N 2.83Å
340D97.9Very high98.3Very high12 Ų1223.4 Ų23.46%0.06412%0.122CC..THydrogen-bonded Turntrans-71.62.3179.166.73.7000114.4H317 K318 D319 G338 R342H317-D340 VanDerWaalsContact CA-OD2 3.28Å; H317-D340 WeakPolarHBondContact CA-OD2 3.47Å; H317-D340 WeakPolarHBondContact CB-OD2 2.9Å; H317-D340 IonicContact CE1-OD2 3.08Å; H317-D340 IonicContact CG-OD2 3.62Å; H317-D340 IonicContact ND1-OD1 2.72Å; H317-D340 PolarHBondContact ND1-OD1 2.82Å; H317-D340 IonicContact ND1-OD2 3.68Å; H317-D340 PolarHBondContact ND1-OD2 3.42Å; K318-D340 HydrophobicContact CB-CB 4.05Å; K318-D340 PolarHBondContact N-OD2 2.88Å; D319-D340 HydrophobicContact CB-CB 3.8Å; G338-D340 VanDerWaalsContact C-N 3.31Å; G338-D340 PolarHBondContact O-N 2.76Å; D340-R342 PolarHBondContact O-N 3.39Å; D340-R342 PolarHBondContact OD1-N 3.36Å
341R98.3Very high98.3Very high36 Ų3624 Ų2414%0.13612%0.124CC..SBendtrans65.816.4177.6-42.4168.8-76.2-84.37.9113E13 G338 T339 T375 A376E13-R341 IonicContact OE1-CZ 2.8Å; E13-R341 IonicContact OE1-NH1 3.3Å; E13-R341 PolarHBondContact OE1-NH1 2.99Å; E13-R341 IonicContact OE1-NH2 3.1Å; E13-R341 PolarHBondContact OE1-NH2 3.4Å; G338-R341 PolarHBondContact O-N 2.87Å; T339-R341 PolarHBondContact O-N 2.83Å; R341-T375 VanDerWaalsContact CD-O 3.27Å; R341-T375 WeakPolarHBondContact CD-O 3.49Å; R341-A376 WeakPolarHBondContact CG-O 3.46Å
342R98.5Very high98.3Very high48 Ų4822.5 Ų22.518%0.18114%0.135CC..  trans-111.3144.7177.1-60.7-54.8-171.4-136.7-2.9110.3E20 S337 D340 I370 G372E20-R342 VanDerWaalsContact CD-NH2 3.34Å; E20-R342 IonicContact OE1-NH2 2.88Å; E20-R342 IonicContact OE2-CZ 3.77Å; E20-R342 IonicContact OE2-NH2 3.18Å; E20-R342 PolarHBondContact OE2-NH2 3.35Å; S337-R342 WeakPolarHBondContact CA-O 3.49Å; D340-R342 PolarHBondContact O-N 3.39Å; D340-R342 PolarHBondContact OD1-N 3.36Å; R342-I370 HydrophobicContact CB-CG2 4.07Å; R342-I370 HydrophobicContact CG-CG2 4.02Å; R342-G372 VanDerWaalsContact NH1-CA 3.25Å; R342-G372 PolarHBondContact NH1-O 2.75Å
343L98.9Very high98.2Very high0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-113.9113.1164-176.4162.5000107.3A335 S336 V345 H371 I378 F381 I391 W403A335-L343 HydrophobicContact CB-CD2 3.93Å; S336-L343 CarbonylContact O-C 3.55Å; S336-L343 VanDerWaalsContact O-CA 3.29Å; S336-L343 WeakPolarHBondContact O-CA 3.46Å; L343-V345 HydrophobicContact CD2-CG2 3.85Å; L343-H371 HydrophobicContact CB-CB 4.15Å; L343-H371 PolarHBondContact N-O 3.23Å; L343-H371 WeakPolarHBondContact O-CB 3.39Å; L343-H371 PolarHBondContact O-N 3.05Å; L343-I378 HydrophobicContact CB-CD1 3.92Å; L343-F381 HydrophobicContact CD1-CB 3.79Å; L343-F381 HydrophobicContact CD1-CD1 3.85Å; L343-F381 HydrophobicContact CD1-CD2 3.78Å; L343-F381 HydrophobicContact CD1-CE1 4.36Å; L343-F381 HydrophobicContact CD1-CE2 4.32Å; L343-F381 HydrophobicContact CD1-CG 3.52Å; L343-I391 HydrophobicContact CD1-CG2 4.12Å; L343-I391 HydrophobicContact CD2-CD1 4.26Å; L343-W403 HydrophobicContact CD1-CZ2 4.01Å; L343-W403 HydrophobicContact CD2-CH2 3.85Å; L343-W403 HydrophobicContact CD2-CZ2 3.72Å; L343-W403 HydrophobicContact CG-CZ2 4.3Å
344N98.9Very high98Very high2 Ų235.4 Ų35.41%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-92.4133.9178.8-69.75.1000108.7S316 A335 S336 W346 L367 F369S316-N344 WeakPolarHBondContact CB-ND2 3.32Å; S316-N344 PolarHBondContact OG-ND2 3.19Å; A335-N344 CarbonylContact C-O 3.48Å; A335-N344 WeakPolarHBondContact CA-O 3.46Å; S336-N344 PolarHBondContact N-O 2.95Å; S336-N344 PolarHBondContact O-N 2.83Å; N344-W346 HydrophobicContact CB-CD2 4.47Å; N344-W346 HydrophobicContact CB-CZ2 3.67Å; N344-W346 WeakPolarHBondContact ND2-CZ2 3.27Å; N344-L367 HydrophobicContact CB-CD1 3.92Å; N344-F369 CarbonylContact C-O 3.58Å; N344-F369 WeakPolarHBondContact CA-O 3.44Å
345V98.9Very high97.9Very high0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-106.9132.7167.9-172.70000107.6I333 L334 A335 L343 L368 F369 W383 W389 I391 W403 M405I333-V345 HydrophobicContact CG2-CG1 3.71Å; L334-V345 WeakPolarHBondContact O-CA 3.4Å; A335-V345 HydrophobicContact CB-CG2 4.27Å; L343-V345 HydrophobicContact CD2-CG2 3.85Å; V345-L368 HydrophobicContact CG1-CD2 4.35Å; V345-L368 WeakPolarHBondContact O-CB 3.46Å; V345-L368 PolarHBondContact O-N 3.35Å; V345-F369 HydrophobicContact CB-CB 4.1Å; V345-F369 HydrophobicContact CG2-CB 4.4Å; V345-F369 PolarHBondContact N-O 3.11Å; V345-F369 PolarHBondContact O-N 3.46Å; V345-F369 VanDerWaalsContact O-N 3.09Å; V345-W383 HydrophobicContact CG1-CH2 4.02Å; V345-W383 HydrophobicContact CG1-CZ2 4.33Å; V345-W389 HydrophobicContact CG1-CZ3 4.45Å; V345-I391 HydrophobicContact CG2-CD1 4.47Å; V345-W403 HydrophobicContact CG2-CH2 4.24Å; V345-M405 HydrophobicContact CB-CE 3.93Å; V345-M405 HydrophobicContact CG1-CE 3.93Å; V345-M405 HydrophobicContact CG2-CE 3.68Å
346W98.9Very high97.8Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-120.9145.5-174.9-41.983.9000110.2F314 H317 I333 L334 S336 N344 P364 E366 L367F314-W346 HydrophobicContact CB-CD2 4.05Å; F314-W346 HydrophobicContact CB-CE3 3.92Å; F314-W346 HydrophobicContact CB-CH2 3.82Å; F314-W346 HydrophobicContact CB-CZ2 4.02Å; F314-W346 HydrophobicContact CB-CZ3 3.8Å; F314-W346 HydrophobicContact CD1-CB 4.17Å; F314-W346 AromaticContact CD1-CD2 3.95Å; F314-W346 HydrophobicContact CD1-CD2 3.95Å; F314-W346 AromaticContact CD1-CE3 3.75Å; F314-W346 HydrophobicContact CD1-CE3 3.75Å; F314-W346 HydrophobicContact CD1-CG 4.17Å; F314-W346 HydrophobicContact CD1-CZ3 4.36Å; F314-W346 HydrophobicContact CE1-CB 4.17Å; F314-W346 HydrophobicContact CG-CD2 4.24Å; F314-W346 HydrophobicContact CG-CE3 4.24Å; H317-W346 AromaticContact CD2-CZ2 3.91Å; I333-W346 WeakPolarHBondContact CA-O 3.5Å; L334-W346 HydrophobicContact CD1-CB 4.49Å; L334-W346 HydrophobicContact CD1-CG 4.35Å; L334-W346 HydrophobicContact CD2-CB 3.74Å; L334-W346 HydrophobicContact CD2-CG 4.45Å; L334-W346 HydrophobicContact CG-CB 3.81Å; L334-W346 HydrophobicContact CG-CG 4.08Å; L334-W346 PolarHBondContact N-O 3.22Å; L334-W346 VanDerWaalsContact N-O 3.07Å; L334-W346 PolarHBondContact O-N 2.94Å; S336-W346 PolarHBondContact OG-NE1 2.83Å; N344-W346 HydrophobicContact CB-CD2 4.47Å; N344-W346 HydrophobicContact CB-CZ2 3.67Å; N344-W346 WeakPolarHBondContact ND2-CZ2 3.27Å; W346-P364 HydrophobicContact CZ3-CG 4.23Å; W346-E366 CarbonylContact C-O 3.59Å; W346-E366 WeakPolarHBondContact CA-O 3.46Å; W346-E366 HydrophobicContact CE3-CG 4.35Å; W346-L367 HydrophobicContact CD2-CD1 4.27Å; W346-L367 HydrophobicContact CE3-CB 4.1Å; W346-L367 HydrophobicContact CE3-CD1 3.84Å; W346-L367 HydrophobicContact CH2-CD1 4.17Å; W346-L367 HydrophobicContact CZ3-CB 4.05Å; W346-L367 HydrophobicContact CZ3-CD1 3.79Å; W346-L367 HydrophobicContact CZ3-CG 4.43Å
347D98.6Very high97.6Very high14 Ų1445.8 Ų45.88%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-120.9109.7172.6-177.616.9000111T332 I333 S349 K350 E366 L368T332-D347 WeakPolarHBondContact CB-OD1 3.31Å; T332-D347 PolarHBondContact OG1-OD1 3.06Å; I333-D347 HydrophobicContact CD1-CB 3.61Å; D347-S349 PolarHBondContact O-N 3.27Å; D347-S349 PolarHBondContact OD1-N 2.97Å; D347-S349 VanDerWaalsContact OD1-N 3.13Å; D347-S349 PolarHBondContact OD1-OG 3.01Å; D347-S349 PolarHBondContact OD2-OG 2.99Å; D347-K350 HydrophobicContact CB-CG 4.48Å; D347-K350 PolarHBondContact O-N 3.2Å; D347-E366 PolarHBondContact N-O 2.64Å; D347-E366 VanDerWaalsContact O-CB 3.27Å; D347-E366 WeakPolarHBondContact O-CB 3.5Å; D347-L368 HydrophobicContact CB-CB 4.33Å; D347-L368 HydrophobicContact CB-CD2 4.39Å
348L97.8Very high97.4Very high50 Ų5051.9 Ų51.926%0.26228%0.284SS..G310 helixtrans-67.7-17.1-178.572.782.1000113.6W326 T332 K350 I351W326-L348 HydrophobicContact CH2-CD2 3.81Å; W326-L348 HydrophobicContact CZ3-CD2 3.78Å; T332-L348 HydrophobicContact CG2-CD1 3.86Å; T332-L348 HydrophobicContact CG2-CG 4.08Å; T332-L348 WeakPolarHBondContact O-CG 3.2Å; T332-L348 PolarHBondContact O-N 2.77Å; L348-K350 PolarHBondContact O-N 3.31Å; L348-I351 HydrophobicContact CB-CD1 3.79Å; L348-I351 HydrophobicContact CB-CG1 4.49Å; L348-I351 WeakPolarHBondContact O-CG1 3.4Å; L348-I351 PolarHBondContact O-N 3.34Å
349S97.8Very high97.3Very high71 Ų7155.9 Ų55.950%0.49731%0.305SS..G310 helixtrans-68.3-23175.829.20000113.2D347 I351D347-S349 PolarHBondContact O-N 3.27Å; D347-S349 PolarHBondContact OD1-N 2.97Å; D347-S349 VanDerWaalsContact OD1-N 3.13Å; D347-S349 PolarHBondContact OD1-OG 3.01Å; D347-S349 PolarHBondContact OD2-OG 2.99Å; S349-I351 VanDerWaalsContact C-N 3.34Å
350K97.4Very high97.1Very high39 Ų3957 Ų5717%0.1732%0.318CS..G310 helixtrans-892179.9-56.6-168.7177.7-162.80113.5D347 L348 G352 E353 P365 D412D347-K350 HydrophobicContact CB-CG 4.48Å; D347-K350 PolarHBondContact O-N 3.2Å; L348-K350 PolarHBondContact O-N 3.31Å; K350-G352 PolarHBondContact O-N 3.38Å; K350-G352 VanDerWaalsContact O-N 3.14Å; K350-E353 HydrophobicContact CB-CG 4.35Å; K350-E353 WeakPolarHBondContact O-CB 3.37Å; K350-E353 WeakPolarHBondContact O-CG 3.39Å; K350-E353 PolarHBondContact O-N 3.17Å; K350-E353 VanDerWaalsContact O-N 3.15Å; K350-P365 WeakPolarHBondContact CB-O 3.44Å; K350-P365 WeakPolarHBondContact O-CB 3.2Å; K350-P365 WeakPolarHBondContact O-CG 3.38Å; K350-D412 IonicContact NZ-OD2 3.73Å; K350-D412 PolarHBondContact NZ-OD2 3.06Å
351I97.8Very high97Very high61 Ų6164.7 Ų64.731%0.31335%0.354SS..THydrogen-bonded Turntrans-61.4120.4178.1-67.1170.8000110H312 F314 L348 S349 E366H312-I351 HydrophobicContact CB-CD1 4.4Å; F314-I351 HydrophobicContact CE1-CD1 4.12Å; F314-I351 HydrophobicContact CZ-CD1 4.25Å; L348-I351 HydrophobicContact CB-CD1 3.79Å; L348-I351 HydrophobicContact CB-CG1 4.49Å; L348-I351 WeakPolarHBondContact O-CG1 3.4Å; L348-I351 PolarHBondContact O-N 3.34Å; S349-I351 VanDerWaalsContact C-N 3.34Å; I351-E366 HydrophobicContact CG1-CB 3.66Å; I351-E366 HydrophobicContact CG1-CG 3.99Å
352G96.3Very high96.8Very high69 Ų6969.3 Ų69.371%0.71138%0.381SS*.THydrogen-bonded Turntrans84.29.9177.500000114.9K350K350-G352 PolarHBondContact O-N 3.38Å; K350-G352 VanDerWaalsContact O-N 3.14Å
353E96.6Very high96.6Very high105 Ų10567.8 Ų67.849%0.49138%0.381SS..  trans-64.1148.5167.8-70.4-175.5174.400111.5K350 P365K350-E353 HydrophobicContact CB-CG 4.35Å; K350-E353 WeakPolarHBondContact O-CB 3.37Å; K350-E353 WeakPolarHBondContact O-CG 3.39Å; K350-E353 PolarHBondContact O-N 3.17Å; K350-E353 VanDerWaalsContact O-N 3.15Å; E353-P365 HydrophobicContact CB-CB 4.05Å
354E96Very high96.6Very high201 Ų20169.3 Ų69.394%0.93939%0.39SS*.  trans-79.1127.9176.8-65.9-175.1173.400110
355Q95.6Very high96.6Very high76 Ų7670.3 Ų70.336%0.35540%0.397SS..  trans-110.5155.3176.9-72.2177.8-61.600111.6D359 A360 G363 P365Q355-D359 HydrophobicContact CB-CB 4.17Å; Q355-D359 HydrophobicContact CG-CB 4.42Å; Q355-A360 HydrophobicContact CB-CB 4.49Å; Q355-G363 PolarHBondContact NE2-O 3.26Å; Q355-G363 VanDerWaalsContact NE2-O 3.15Å; Q355-G363 PolarHBondContact OE1-O 3.17Å; Q355-P365 HydrophobicContact CG-CB 3.87Å
356S96.3Very high96.5Very high42 Ų4270.8 Ų70.829%0.29440%0.399SS..  trans-65.7157.6164.575.50000110.4E358 D359 A360S356-E358 PolarHBondContact O-N 3.08Å; S356-E358 PolarHBondContact OG-OE2 2.94Å; S356-D359 WeakPolarHBondContact CB-OD2 3.07Å; S356-D359 PolarHBondContact O-N 3.08Å; S356-D359 PolarHBondContact OG-N 3.02Å; S356-D359 VanDerWaalsContact OG-N 3.13Å; S356-D359 PolarHBondContact OG-OD2 3.38Å; S356-A360 WeakPolarHBondContact O-CB 3.16Å; S356-A360 PolarHBondContact O-N 3.22Å; S356-A360 VanDerWaalsContact O-N 3.07Å
357P95.6Very high96.5Very high100 Ų10072.1 Ų72.165%0.64941%0.406SS*.THydrogen-bonded Turntrans-56.9-33.3173.7-25.135.3000113.1E361P357-E361 PolarHBondContact O-N 3.14Å
358E95.4Very high96.5Very high129 Ų12972.6 Ų72.660%0.60341%0.409SS*.THydrogen-bonded Turntrans-67.1-47.8177.2-64.779.8-175.600111.6S356 A360 E361S356-E358 PolarHBondContact O-N 3.08Å; S356-E358 PolarHBondContact OG-OE2 2.94Å; E358-A360 VanDerWaalsContact C-N 3.29Å; E358-A360 PolarHBondContact O-N 3.16Å; E358-E361 WeakPolarHBondContact O-CB 3.3Å; E358-E361 PolarHBondContact O-N 3.25Å; E358-E361 VanDerWaalsContact O-N 3.13Å
359D93.9Very high96.5Very high83 Ų8370.8 Ų70.844%0.44440%0.399SS..Hα-helixtrans-66.6-33.3179.8-55.3-46.4000111.8Q355 S356 E361 D362 G363Q355-D359 HydrophobicContact CB-CB 4.17Å; Q355-D359 HydrophobicContact CG-CB 4.42Å; S356-D359 WeakPolarHBondContact CB-OD2 3.07Å; S356-D359 PolarHBondContact O-N 3.08Å; S356-D359 PolarHBondContact OG-N 3.02Å; S356-D359 VanDerWaalsContact OG-N 3.13Å; S356-D359 PolarHBondContact OG-OD2 3.38Å; D359-E361 PolarHBondContact O-N 3.37Å; D359-D362 PolarHBondContact O-N 2.85Å; D359-D362 VanDerWaalsContact O-N 3.09Å; D359-G363 PolarHBondContact O-N 2.97Å
360A94.3Very high96.6Very high59 Ų5970.7 Ų70.749%0.48839%0.392SS..Hα-helixtrans-68.4-18.6176.500000113.5Q355 S356 E358Q355-A360 HydrophobicContact CB-CB 4.49Å; S356-A360 WeakPolarHBondContact O-CB 3.16Å; S356-A360 PolarHBondContact O-N 3.22Å; S356-A360 VanDerWaalsContact O-N 3.07Å; E358-A360 VanDerWaalsContact C-N 3.29Å; E358-A360 PolarHBondContact O-N 3.16Å
361E95.1Very high96.6Very high173 Ų17368.9 Ų68.981%0.80838%0.384SS*.Hα-helixtrans-74.7-27.8170.7-70.9-173.5174.800112P357 E358 D359P357-E361 PolarHBondContact O-N 3.14Å; E358-E361 WeakPolarHBondContact O-CB 3.3Å; E358-E361 PolarHBondContact O-N 3.25Å; E358-E361 VanDerWaalsContact O-N 3.13Å; D359-E361 PolarHBondContact O-N 3.37Å
362D93.5Very high96.6Very high133 Ų13366.2 Ų66.271%0.71137%0.372SS*.Hα-helixtrans-82.1-31-179.8-72.2-30.7000112.5D359D359-D362 PolarHBondContact O-N 2.85Å; D359-D362 VanDerWaalsContact O-N 3.09Å
363G96.2Very high96.5Very high17 Ų1763 Ų6318%0.17534%0.339CS..  trans161.4178.1175.300000113.9Q355 D359Q355-G363 PolarHBondContact NE2-O 3.26Å; Q355-G363 VanDerWaalsContact NE2-O 3.15Å; Q355-G363 PolarHBondContact OE1-O 3.17Å; D359-G363 PolarHBondContact O-N 2.97Å
364P98Very high96.6Very high31 Ų3158.1 Ų58.120%0.20132%0.316CS..  trans-68158.917633.6-37.9000111.3E315 W346 E366 L367E315-P364 WeakPolarHBondContact O-CD 3.25Å; W346-P364 HydrophobicContact CZ3-CG 4.23Å; P364-E366 WeakPolarHBondContact CB-OE1 3.29Å; P364-E366 PolarHBondContact O-N 2.67Å; P364-L367 HydrophobicContact CG-CB 4.13Å; P364-L367 WeakPolarHBondContact O-CB 3.35Å; P364-L367 PolarHBondContact O-N 3.22Å
365P97.8Very high96.7Very high24 Ų2450.5 Ų50.516%0.15628%0.283CS..THydrogen-bonded Turntrans-64.7-27.9-17325.2-32.3000113.5K350 E353 Q355 L367K350-P365 WeakPolarHBondContact CB-O 3.44Å; K350-P365 WeakPolarHBondContact O-CB 3.2Å; K350-P365 WeakPolarHBondContact O-CG 3.38Å; E353-P365 HydrophobicContact CB-CB 4.05Å; Q355-P365 HydrophobicContact CG-CB 3.87Å; P365-L367 PolarHBondContact O-N 3.39Å
366E98.3Very high96.8Very high9 Ų947.9 Ų47.94%0.04228%0.275CS..THydrogen-bonded Turntrans-75.3-5.3175.667.5-86.3-165.200114.5H312 F314 W346 D347 I351 P364 L368H312-E366 IonicContact CD2-OE1 3.45Å; H312-E366 IonicContact CE1-OE1 2.88Å; H312-E366 IonicContact NE2-OE1 2.7Å; H312-E366 PolarHBondContact NE2-OE1 2.83Å; F314-E366 HydrophobicContact CD1-CG 3.63Å; F314-E366 HydrophobicContact CE1-CB 4.38Å; F314-E366 HydrophobicContact CE1-CG 3.82Å; W346-E366 CarbonylContact C-O 3.59Å; W346-E366 WeakPolarHBondContact CA-O 3.46Å; W346-E366 HydrophobicContact CE3-CG 4.35Å; D347-E366 PolarHBondContact N-O 2.64Å; D347-E366 VanDerWaalsContact O-CB 3.27Å; D347-E366 WeakPolarHBondContact O-CB 3.5Å; I351-E366 HydrophobicContact CG1-CB 3.66Å; I351-E366 HydrophobicContact CG1-CG 3.99Å; P364-E366 WeakPolarHBondContact CB-OE1 3.29Å; P364-E366 PolarHBondContact O-N 2.67Å; E366-L368 PolarHBondContact O-N 2.99Å
367L98.6Very high96.9Very high28 Ų2848.3 Ų48.315%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-80.798.9173.3-179.761.7000110S316 N344 W346 P364 P365 I370S316-L367 VanDerWaalsContact OG-CD2 3.23Å; S316-L367 WeakPolarHBondContact OG-CD2 3.46Å; N344-L367 HydrophobicContact CB-CD1 3.92Å; W346-L367 HydrophobicContact CD2-CD1 4.27Å; W346-L367 HydrophobicContact CE3-CB 4.1Å; W346-L367 HydrophobicContact CE3-CD1 3.84Å; W346-L367 HydrophobicContact CH2-CD1 4.17Å; W346-L367 HydrophobicContact CZ3-CB 4.05Å; W346-L367 HydrophobicContact CZ3-CD1 3.79Å; W346-L367 HydrophobicContact CZ3-CG 4.43Å; P364-L367 HydrophobicContact CG-CB 4.13Å; P364-L367 WeakPolarHBondContact O-CB 3.35Å; P364-L367 PolarHBondContact O-N 3.22Å; P365-L367 PolarHBondContact O-N 3.39Å; L367-I370 HydrophobicContact CD1-CG1 4.13Å; L367-I370 HydrophobicContact CD2-CD1 3.91Å; L367-I370 HydrophobicContact CD2-CG1 4.08Å; L367-I370 HydrophobicContact CG-CG1 4.31Å
368L98.2Very high97.1Very high24 Ų2443.5 Ų43.513%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-79.1-43.5-175.1-176.965.4000112.6I333 V345 D347 E366 W389 M405 I409I333-L368 HydrophobicContact CD1-CD2 4.14Å; V345-L368 HydrophobicContact CG1-CD2 4.35Å; V345-L368 WeakPolarHBondContact O-CB 3.46Å; V345-L368 PolarHBondContact O-N 3.35Å; D347-L368 HydrophobicContact CB-CB 4.33Å; D347-L368 HydrophobicContact CB-CD2 4.39Å; E366-L368 PolarHBondContact O-N 2.99Å; L368-W389 HydrophobicContact CD2-CH2 4.06Å; L368-W389 HydrophobicContact CD2-CZ3 3.99Å; L368-M405 HydrophobicContact CD2-SD 4.37Å; L368-I409 HydrophobicContact CD1-CG2 4.19Å; L368-I409 WeakPolarHBondContact CD1-O 3.49Å; L368-I409 HydrophobicContact CG-CG2 4.29Å
369F98.6Very high97.2Very high13 Ų1338.4 Ų38.46%0.05722%0.218CC..EExtended strand (participates in β ladder)trans-153.8145.1-173.7-170-104.9000112.5L31 Y32 N344 V345 H371 W403 M405 I409L31-F369 HydrophobicContact CB-CE2 4.16Å; L31-F369 HydrophobicContact CB-CZ 4.26Å; L31-F369 HydrophobicContact CD2-CE2 4.3Å; Y32-F369 HydrophobicContact CD1-CE1 4.49Å; Y32-F369 HydrophobicContact CD1-CZ 4.11Å; Y32-F369 AromaticContact CE1-CE1 3.56Å; Y32-F369 HydrophobicContact CE1-CE1 3.56Å; Y32-F369 AromaticContact CE1-CZ 3.39Å; Y32-F369 HydrophobicContact CE1-CZ 3.39Å; Y32-F369 HydrophobicContact CE2-CZ 4.23Å; Y32-F369 AromaticContact CZ-CE1 3.84Å; Y32-F369 AromaticContact CZ-CZ 3.45Å; Y32-F369 VanDerWaalsContact CZ-CZ 3.45Å; Y32-F369 WeakPolarHBondContact OH-CZ 3.32Å; N344-F369 CarbonylContact C-O 3.58Å; N344-F369 WeakPolarHBondContact CA-O 3.44Å; V345-F369 HydrophobicContact CB-CB 4.1Å; V345-F369 HydrophobicContact CG2-CB 4.4Å; V345-F369 PolarHBondContact N-O 3.11Å; V345-F369 PolarHBondContact O-N 3.46Å; V345-F369 VanDerWaalsContact O-N 3.09Å; F369-H371 HydrophobicContact CD1-CB 4.35Å; F369-H371 HydrophobicContact CE1-CB 3.97Å; F369-W403 HydrophobicContact CD1-CH2 4.24Å; F369-W403 AromaticContact CD1-CZ3 3.97Å; F369-W403 HydrophobicContact CD1-CZ3 3.97Å; F369-W403 HydrophobicContact CE1-CE3 4.37Å; F369-W403 HydrophobicContact CE1-CH2 4.22Å; F369-W403 AromaticContact CE1-CZ3 3.68Å; F369-W403 HydrophobicContact CE1-CZ3 3.68Å; F369-M405 HydrophobicContact CB-CE 3.9Å; F369-M405 HydrophobicContact CB-SD 4.16Å; F369-M405 HydrophobicContact CD1-CB 4.33Å; F369-M405 HydrophobicContact CD1-CE 4.17Å; F369-M405 HydrophobicContact CD2-CB 4.26Å; F369-M405 HydrophobicContact CE1-CB 4.24Å; F369-M405 HydrophobicContact CE2-CB 4.17Å; F369-M405 HydrophobicContact CG-CB 4.32Å; F369-M405 HydrophobicContact CG-CE 4.13Å; F369-M405 HydrophobicContact CG-SD 4.35Å; F369-M405 HydrophobicContact CZ-CB 4.15Å; F369-I409 HydrophobicContact CD2-CD1 3.72Å; F369-I409 HydrophobicContact CD2-CG2 4.3Å; F369-I409 HydrophobicContact CE2-CD1 3.62Å
370I98.7Very high97.4Very high69 Ų6934.5 Ų34.535%0.35420%0.197SC..EExtended strand (participates in β ladder)trans-119.1110.5171.1-55.4177.4000108.8R342 L367 G372R342-I370 HydrophobicContact CB-CG2 4.07Å; R342-I370 HydrophobicContact CG-CG2 4.02Å; L367-I370 HydrophobicContact CD1-CG1 4.13Å; L367-I370 HydrophobicContact CD2-CD1 3.91Å; L367-I370 HydrophobicContact CD2-CG1 4.08Å; L367-I370 HydrophobicContact CG-CG1 4.31Å; I370-G372 PolarHBondContact O-N 3.42Å
371H98.6Very high97.7Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-78114.8170.1175.182.8000110.4Y32 L343 F369 G373 H374 Q401 W403Y32-H371 AromaticContact CE1-ND1 3.67Å; Y32-H371 AromaticContact CZ-ND1 3.72Å; Y32-H371 PolarHBondContact OH-ND1 2.71Å; Y32-H371 VanDerWaalsContact OH-ND1 3.17Å; L343-H371 HydrophobicContact CB-CB 4.15Å; L343-H371 PolarHBondContact N-O 3.23Å; L343-H371 WeakPolarHBondContact O-CB 3.39Å; L343-H371 PolarHBondContact O-N 3.05Å; F369-H371 HydrophobicContact CD1-CB 4.35Å; F369-H371 HydrophobicContact CE1-CB 3.97Å; H371-G373 WeakPolarHBondContact NE2-CA 3.35Å; H371-G373 PolarHBondContact NE2-N 3.28Å; H371-H374 AromaticContact CD2-CD2 3.77Å; H371-H374 AromaticContact NE2-CD2 3.41Å; H371-H374 PolarHBondContact NE2-CD2 3.22Å; H371-H374 AromaticContact NE2-NE2 3.9Å; H371-Q401 PolarHBondContact CE1-OE1 2.89Å; H371-Q401 PolarHBondContact NE2-OE1 2.95Å; H371-Q401 VanDerWaalsContact NE2-OE1 3.13Å; H371-W403 HydrophobicContact CB-CH2 3.61Å; H371-W403 HydrophobicContact CB-CZ2 3.55Å; H371-W403 HydrophobicContact CB-CZ3 4.19Å; H371-W403 AromaticContact CE1-CD1 3.65Å; H371-W403 AromaticContact CE1-CD2 3.97Å; H371-W403 AromaticContact CE1-CE2 3.89Å; H371-W403 AromaticContact CE1-CG 3.83Å; H371-W403 AromaticContact CE1-NE1 3.67Å; H371-W403 AromaticContact CG-CE2 3.6Å; H371-W403 AromaticContact CG-CZ2 3.58Å; H371-W403 AromaticContact CG-NE1 3.95Å; H371-W403 AromaticContact ND1-CD1 3.94Å; H371-W403 AromaticContact ND1-CD2 3.48Å; H371-W403 AromaticContact ND1-CE2 3.44Å; H371-W403 AromaticContact ND1-CE3 3.94Å; H371-W403 AromaticContact ND1-CG 3.81Å; H371-W403 AromaticContact ND1-CZ2 3.87Å; H371-W403 AromaticContact ND1-NE1 3.72Å; H371-W403 AromaticContact NE2-NE1 3.9Å
372G97.7Very high97.8Very high6 Ų624.2 Ų24.26%0.06214%0.141CC..  trans-107.119.3-177.300000115.3R342 I370R342-G372 VanDerWaalsContact NH1-CA 3.25Å; R342-G372 PolarHBondContact NH1-O 2.75Å; I370-G372 PolarHBondContact O-N 3.42Å
373G94.6Very high98.1Very high1 Ų118.5 Ų18.51%0.0111%0.11CC..  trans-80.1-19.1-171.500000115.7Y21 W24 H371 Q401Y21-G373 VanDerWaalsContact CE2-O 3.3Å; Y21-G373 WeakPolarHBondContact CE2-O 3.45Å; W24-G373 VanDerWaalsContact CE2-CA 3.41Å; W24-G373 VanDerWaalsContact CZ2-CA 3.42Å; H371-G373 WeakPolarHBondContact NE2-CA 3.35Å; H371-G373 PolarHBondContact NE2-N 3.28Å; G373-Q401 PolarHBondContact O-NE2 3.26Å
374H98.1Very high98.2Very high3 Ų317.7 Ų17.71%0.01410%0.101CC..  trans-88.8144.4-179.9-70.6-84.2000112.4H371 I378 S393 S395H371-H374 AromaticContact CD2-CD2 3.77Å; H371-H374 AromaticContact NE2-CD2 3.41Å; H371-H374 PolarHBondContact NE2-CD2 3.22Å; H371-H374 AromaticContact NE2-NE2 3.9Å; H374-I378 HydrophobicContact CB-CD1 4.24Å; H374-I378 HydrophobicContact CB-CG1 3.95Å; H374-S393 PolarHBondContact CE1-O 3.18Å; H374-S393 WeakPolarHBondContact NE2-CB 3.29Å; H374-S393 PolarHBondContact NE2-OG 3.43Å; H374-S395 VanDerWaalsContact ND1-CB 3.33Å; H374-S395 WeakPolarHBondContact ND1-CB 3.21Å; H374-S395 PolarHBondContact ND1-OG 2.72Å
375T97.4Very high98.2Very high41 Ų4118.4 Ų18.425%0.25211%0.106SC..SBendtrans-108-5.4178.8410000113.7I17 Y21 R341 D397I17-T375 HydrophobicContact CG2-CG2 3.65Å; Y21-T375 HydrophobicContact CD2-CG2 3.77Å; Y21-T375 HydrophobicContact CG-CG2 3.86Å; R341-T375 VanDerWaalsContact CD-O 3.27Å; R341-T375 WeakPolarHBondContact CD-O 3.49Å; T375-D397 PolarHBondContact OG1-OD2 2.65Å
376A97.9Very high98.2Very high21 Ų2120.2 Ų20.217%0.17411%0.114CC..SBendtrans-131.7173.2171.700000110.8R341 I378 E396 D397R341-A376 WeakPolarHBondContact CG-O 3.46Å; A376-I378 PolarHBondContact O-N 2.92Å; A376-E396 HydrophobicContact CB-CB 4.36Å; A376-D397 HydrophobicContact CB-CB 3.67Å; A376-D397 VanDerWaalsContact CB-CG 3.43Å; A376-D397 PolarHBondContact N-OD2 3.43Å
377K98.3Very high98.1Very high50 Ų5020.3 Ų20.322%0.21711%0.114CC..  trans-51.1134177.4168.6173.9173.4-174.10110.4F322 S395 E396F322-K377 VanDerWaalsContact CD2-CE 3.42Å; F322-K377 VanDerWaalsContact CZ-NZ 3.34Å; K377-S395 WeakPolarHBondContact O-CA 3.07Å; K377-S395 WeakPolarHBondContact O-CB 3.4Å; K377-E396 HydrophobicContact CB-CG 4.33Å; K377-E396 WeakPolarHBondContact CD-OE1 3.36Å; K377-E396 PolarHBondContact O-N 3.13Å; K377-E396 VanDerWaalsContact O-N 3.15Å
378I98.8Very high98Very high0 Ų021.3 Ų21.30%012%0.123CC..EExtended strand (participates in β ladder)trans-82.6120.2175.2-59.7175.9000107.8S337 G338 L343 H374 A376S337-I378 WeakPolarHBondContact OG-CG2 3.05Å; G338-I378 PolarHBondContact O-N 3.33Å; L343-I378 HydrophobicContact CB-CD1 3.92Å; H374-I378 HydrophobicContact CB-CD1 4.24Å; H374-I378 HydrophobicContact CB-CG1 3.95Å; A376-I378 PolarHBondContact O-N 2.92Å
379S98.6Very high97.9Very high21 Ų2121.1 Ų21.115%0.14712%0.12CC..EExtended strand (participates in β ladder)trans-85.2-41.9-175.8-51.50000112.4V394S379-V394 PolarHBondContact N-O 3.39Å
380D98.9Very high97.9Very high1 Ų120.7 Ų20.71%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-156.7159.4179.2-156.611.2000109.9T46 A47 R131 Q323 V394T46-D380 WeakPolarHBondContact CA-OD2 3.33Å; T46-D380 PolarHBondContact OG1-OD2 3.39Å; A47-D380 PolarHBondContact N-OD2 3.14Å; R131-D380 IonicContact CZ-OD2 3.82Å; R131-D380 IonicContact NH1-OD2 2.66Å; R131-D380 PolarHBondContact NH1-OD2 3.32Å; R131-D380 VanDerWaalsContact NH1-OD2 3.1Å; R131-D380 IonicContact NH2-OD1 3.74Å; R131-D380 PolarHBondContact NH2-OD1 3.06Å; R131-D380 IonicContact NH2-OD2 3.32Å; R131-D380 PolarHBondContact NH2-OD2 3.17Å; Q323-D380 PolarHBondContact NE2-OD1 3.2Å; D380-V394 HydrophobicContact CB-CG2 4.16Å; D380-V394 WeakPolarHBondContact O-CG2 3.27Å; D380-V394 PolarHBondContact O-N 2.92Å
381F98.9Very high97.9Very high2 Ų217.4 Ų17.41%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-149.5160.8170.775.3-87.1000111.3Q323 Q325 A335 S337 L343 I391 C392Q323-F381 HydrophobicContact CB-CD1 3.94Å; Q323-F381 HydrophobicContact CB-CE1 3.73Å; Q323-F381 HydrophobicContact CG-CD1 3.59Å; Q323-F381 HydrophobicContact CG-CE1 3.38Å; Q323-F381 HydrophobicContact CG-CZ 4.19Å; Q325-F381 HydrophobicContact CB-CE2 3.75Å; Q325-F381 HydrophobicContact CB-CZ 3.8Å; Q325-F381 HydrophobicContact CG-CE2 4.08Å; Q325-F381 HydrophobicContact CG-CZ 4Å; A335-F381 HydrophobicContact CB-CE2 3.64Å; A335-F381 HydrophobicContact CB-CZ 3.73Å; A335-F381 WeakPolarHBondContact O-CZ 3.42Å; S337-F381 WeakPolarHBondContact OG-CD1 3.46Å; L343-F381 HydrophobicContact CD1-CB 3.79Å; L343-F381 HydrophobicContact CD1-CD1 3.85Å; L343-F381 HydrophobicContact CD1-CD2 3.78Å; L343-F381 HydrophobicContact CD1-CE1 4.36Å; L343-F381 HydrophobicContact CD1-CE2 4.32Å; L343-F381 HydrophobicContact CD1-CG 3.52Å; F381-I391 HydrophobicContact CB-CG2 4.27Å; F381-I391 HydrophobicContact CD2-CG2 4.06Å; F381-C392 CarbonylContact C-O 3.49Å; F381-C392 WeakPolarHBondContact CA-O 3.5Å; F381-C392 WeakPolarHBondContact CB-O 3.4Å
382S98.9Very high97.9Very high15 Ų1517.4 Ų17.411%0.10510%0.102CC..EExtended strand (participates in β ladder)trans-145.3127.7-179-176.80000110.8W49 C392W49-S382 VanDerWaalsContact CD1-O 3.26Å; W49-S382 PolarHBondContact N-OG 3.15Å; W49-S382 VanDerWaalsContact N-OG 3.17Å; W49-S382 PolarHBondContact NE1-O 2.59Å; W49-S382 VanDerWaalsContact NE1-O 3.09Å; S382-C392 PolarHBondContact N-O 3.35Å; S382-C392 PolarHBondContact O-N 3.35Å
383W98.9Very high98Very high13 Ų1317.1 Ų17.15%0.04910%0.099CC..EExtended strand (participates in β ladder)trans-64135.6163.1-66.1100.2000110.1W49 Q325 W326 P328 I333 A335 V345 W389 I391W49-W383 VanDerWaalsContact CD1-O 3.23Å; Q325-W383 PolarHBondContact O-NE1 2.8Å; Q325-W383 VanDerWaalsContact O-NE1 3.13Å; W326-W383 VanDerWaalsContact O-CD1 3.28Å; P328-W383 HydrophobicContact CG-CB 3.85Å; I333-W383 HydrophobicContact CG2-CH2 3.78Å; I333-W383 HydrophobicContact CG2-CZ2 3.97Å; A335-W383 HydrophobicContact CB-CZ2 3.59Å; V345-W383 HydrophobicContact CG1-CH2 4.02Å; V345-W383 HydrophobicContact CG1-CZ2 4.33Å; W383-W389 HydrophobicContact CH2-CE3 4.3Å; W383-W389 HydrophobicContact CZ3-CE3 4.18Å; W383-I391 HydrophobicContact CD2-CD1 3.99Å; W383-I391 HydrophobicContact CD2-CG1 3.86Å; W383-I391 HydrophobicContact CE3-CD1 3.81Å; W383-I391 HydrophobicContact CE3-CG1 3.52Å; W383-I391 HydrophobicContact CH2-CD1 3.74Å; W383-I391 HydrophobicContact CH2-CG1 4.38Å; W383-I391 HydrophobicContact CZ2-CD1 3.93Å; W383-I391 HydrophobicContact CZ3-CD1 3.67Å; W383-I391 HydrophobicContact CZ3-CG1 3.81Å
384N98.7Very high98.2Very high0 Ų017.1 Ų17.10%010%0.099CC..  trans-68.5128.1169.6-170.9-47.1000108.2W49 H64 L86 H329 N386 E387 V390W49-N384 VanDerWaalsContact CD1-CA 3.42Å; W49-N384 HydrophobicContact CD2-CB 4.22Å; W49-N384 HydrophobicContact CG-CB 4.27Å; W49-N384 HydrophobicContact CZ2-CB 4.46Å; H64-N384 PolarHBondContact ND1-ND2 2.76Å; L86-N384 VanDerWaalsContact CD1-ND2 3.33Å; L86-N384 WeakPolarHBondContact CD1-ND2 3.46Å; H329-N384 PolarHBondContact CE1-O 3.21Å; N384-N386 VanDerWaalsContact C-N 3.29Å; N384-N386 PolarHBondContact O-N 3.09Å; N384-N386 PolarHBondContact OD1-N 3.27Å; N384-E387 PolarHBondContact OD1-N 3.02Å; N384-V390 HydrophobicContact CB-CB 3.82Å; N384-V390 HydrophobicContact CB-CG1 4.07Å; N384-V390 WeakPolarHBondContact CB-O 3.2Å; N384-V390 PolarHBondContact N-O 2.79Å
385P97.9Very high98.2Very high45 Ų4517 Ų1729%0.29210%0.098SC..SBendtrans-78.2-13-179.127.8-32.5000113.6W49 H329W49-P385 HydrophobicContact CB-CG 4.39Å; H329-P385 PolarHBondContact NE2-O 3.13Å
386N97.2Very high98.2Very high62 Ų6219.3 Ų19.333%0.33211%0.106SC..SBendtrans-109.7-36-173.3-65.6-80.3000113.2P51 V53 N384P51-N386 PolarHBondContact O-ND2 3.49Å; V53-N386 HydrophobicContact CG2-CB 3.65Å; V53-N386 WeakPolarHBondContact CG2-ND2 3.4Å; N384-N386 VanDerWaalsContact C-N 3.29Å; N384-N386 PolarHBondContact O-N 3.09Å; N384-N386 PolarHBondContact OD1-N 3.27Å
387E96Very high98.1Very high11 Ų1120.5 Ų20.55%0.05111%0.11CC..SBendtrans-106.9112.6177.5-56.8-57.4159.100109.3R55 H64 L86 N384 V390R55-E387 IonicContact CZ-OE1 3.35Å; R55-E387 IonicContact NH1-OE1 3.01Å; R55-E387 PolarHBondContact NH1-OE1 2.93Å; R55-E387 IonicContact NH2-OE1 2.72Å; R55-E387 PolarHBondContact NH2-OE1 2.93Å; H64-E387 VanDerWaalsContact CE1-CG 3.5Å; H64-E387 WeakPolarHBondContact CE1-CG 3.41Å; H64-E387 IonicContact CE1-OE1 3.62Å; H64-E387 IonicContact NE2-OE1 2.85Å; L86-E387 HydrophobicContact CD1-CG 4.14Å; N384-E387 PolarHBondContact OD1-N 3.02Å; E387-V390 HydrophobicContact CB-CB 4.23Å; E387-V390 HydrophobicContact CB-CG2 3.71Å; E387-V390 PolarHBondContact O-N 2.88Å
388P96.3Very high98.1Very high50 Ų5020.4 Ų20.433%0.32511%0.111SC..THydrogen-bonded Turntrans-56.2145.5179.6-2635.5000113.1V390 Q404P388-V390 PolarHBondContact O-N 3.39Å; P388-Q404 PolarHBondContact O-NE2 3.33Å
389W97.2Very high98Very high20 Ų2022 Ų228%0.07612%0.12CC..THydrogen-bonded Turntrans64.5-3.1177-53.5101.2000116.7I333 V345 L368 W383 Q404 M405 Y410I333-W389 HydrophobicContact CB-CH2 4.48Å; I333-W389 HydrophobicContact CD1-CH2 3.73Å; I333-W389 HydrophobicContact CD1-CZ3 4.33Å; I333-W389 HydrophobicContact CG1-CH2 3.62Å; I333-W389 HydrophobicContact CG1-CZ2 4.37Å; I333-W389 HydrophobicContact CG1-CZ3 4.21Å; I333-W389 HydrophobicContact CG2-CH2 4.15Å; I333-W389 HydrophobicContact CG2-CZ3 3.85Å; V345-W389 HydrophobicContact CG1-CZ3 4.45Å; L368-W389 HydrophobicContact CD2-CH2 4.06Å; L368-W389 HydrophobicContact CD2-CZ3 3.99Å; W383-W389 HydrophobicContact CH2-CE3 4.3Å; W383-W389 HydrophobicContact CZ3-CE3 4.18Å; W389-Q404 HydrophobicContact CB-CG 3.96Å; W389-M405 HydrophobicContact CE3-CE 3.82Å; W389-M405 HydrophobicContact CE3-CG 4.44Å; W389-M405 HydrophobicContact CE3-SD 3.93Å; W389-M405 HydrophobicContact CZ3-CE 4.03Å; W389-M405 HydrophobicContact CZ3-SD 4.04Å; W389-Y410 HydrophobicContact CB-CE1 4.32Å; W389-Y410 AromaticContact CD1-CE1 3.92Å; W389-Y410 AromaticContact CD1-CE2 3.66Å; W389-Y410 AromaticContact CD1-CZ 3.48Å; W389-Y410 VanDerWaalsContact CD1-CZ 3.48Å; W389-Y410 AromaticContact CD2-CD1 3.95Å; W389-Y410 HydrophobicContact CD2-CD1 3.95Å; W389-Y410 HydrophobicContact CD2-CD2 4.37Å; W389-Y410 HydrophobicContact CD2-CE1 4.05Å; W389-Y410 HydrophobicContact CD2-CE2 4.48Å; W389-Y410 HydrophobicContact CD2-CG 4.1Å; W389-Y410 AromaticContact CE2-CD2 3.61Å; W389-Y410 AromaticContact CE2-CE2 3.89Å; W389-Y410 AromaticContact CE2-CG 3.67Å; W389-Y410 HydrophobicContact CE3-CD1 4.25Å; W389-Y410 HydrophobicContact CE3-CG 4.48Å; W389-Y410 HydrophobicContact CG-CD1 4.27Å; W389-Y410 AromaticContact CG-CE1 3.86Å; W389-Y410 HydrophobicContact CG-CE1 3.86Å; W389-Y410 HydrophobicContact CG-CE2 4.36Å; W389-Y410 AromaticContact CG-CZ 3.9Å; W389-Y410 HydrophobicContact CH2-CG 4.03Å; W389-Y410 HydrophobicContact CZ2-CD1 4.33Å; W389-Y410 AromaticContact CZ2-CD2 3.73Å; W389-Y410 HydrophobicContact CZ2-CD2 3.73Å; W389-Y410 HydrophobicContact CZ2-CE2 4.45Å; W389-Y410 AromaticContact CZ2-CG 3.65Å; W389-Y410 HydrophobicContact CZ2-CG 3.65Å; W389-Y410 HydrophobicContact CZ3-CG 4.44Å; W389-Y410 AromaticContact NE1-CD2 3.53Å; W389-Y410 AromaticContact NE1-CE2 3.35Å; W389-Y410 VanDerWaalsContact NE1-CE2 3.35Å; W389-Y410 AromaticContact NE1-CZ 3.67Å
390V98.3Very high98Very high4 Ų421 Ų212%0.02411%0.113CC..EExtended strand (participates in β ladder)trans-80.5125.6175.1179.90000109.9W49 L86 N384 E387 P388 V402 W403 Q404W49-V390 HydrophobicContact CZ2-CG1 4.21Å; L86-V390 HydrophobicContact CD1-CG1 4.05Å; N384-V390 HydrophobicContact CB-CB 3.82Å; N384-V390 HydrophobicContact CB-CG1 4.07Å; N384-V390 WeakPolarHBondContact CB-O 3.2Å; N384-V390 PolarHBondContact N-O 2.79Å; E387-V390 HydrophobicContact CB-CB 4.23Å; E387-V390 HydrophobicContact CB-CG2 3.71Å; E387-V390 PolarHBondContact O-N 2.88Å; P388-V390 PolarHBondContact O-N 3.39Å; V390-V402 HydrophobicContact CG1-CG1 3.86Å; V390-W403 WeakPolarHBondContact CA-O 3.13Å; V390-Q404 HydrophobicContact CG2-CB 4.17Å; V390-Q404 HydrophobicContact CG2-CG 4.09Å
391I98.9Very high97.9Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-120.6139.8177.2-65.7177.9000109.5L343 V345 F381 W383 V402 W403L343-I391 HydrophobicContact CD1-CG2 4.12Å; L343-I391 HydrophobicContact CD2-CD1 4.26Å; V345-I391 HydrophobicContact CG2-CD1 4.47Å; F381-I391 HydrophobicContact CB-CG2 4.27Å; F381-I391 HydrophobicContact CD2-CG2 4.06Å; W383-I391 HydrophobicContact CD2-CD1 3.99Å; W383-I391 HydrophobicContact CD2-CG1 3.86Å; W383-I391 HydrophobicContact CE3-CD1 3.81Å; W383-I391 HydrophobicContact CE3-CG1 3.52Å; W383-I391 HydrophobicContact CH2-CD1 3.74Å; W383-I391 HydrophobicContact CH2-CG1 4.38Å; W383-I391 HydrophobicContact CZ2-CD1 3.93Å; W383-I391 HydrophobicContact CZ3-CD1 3.67Å; W383-I391 HydrophobicContact CZ3-CG1 3.81Å; I391-V402 CarbonylContact O-C 3.56Å; I391-V402 WeakPolarHBondContact O-CA 3.3Å; I391-W403 HydrophobicContact CB-CD2 4.37Å; I391-W403 HydrophobicContact CB-CH2 4.45Å; I391-W403 HydrophobicContact CB-CZ2 3.92Å; I391-W403 HydrophobicContact CD1-CH2 3.69Å; I391-W403 HydrophobicContact CD1-CZ2 3.79Å; I391-W403 HydrophobicContact CD1-CZ3 4.4Å; I391-W403 HydrophobicContact CG1-CZ2 4.41Å; I391-W403 HydrophobicContact CG2-CZ2 3.9Å; I391-W403 PolarHBondContact N-O 2.57Å; I391-W403 PolarHBondContact O-N 3.46Å
392C98.8Very high97.9Very high0 Ų020.9 Ų20.90%011%0.112CC..EExtended strand (participates in β ladder)trans-104.1128.5161.3176.80000108.9W49 L66 F381 S382 Q401 V402W49-C392 HydrophobicContact CZ2-CB 3.81Å; L66-C392 HydrophobicContact CD1-CB 4.2Å; L66-C392 VanDerWaalsContact CD1-SG 3.54Å; L66-C392 HydrophobicContact CD2-CB 3.85Å; F381-C392 CarbonylContact C-O 3.49Å; F381-C392 WeakPolarHBondContact CA-O 3.5Å; F381-C392 WeakPolarHBondContact CB-O 3.4Å; S382-C392 PolarHBondContact N-O 3.35Å; S382-C392 PolarHBondContact O-N 3.35Å; C392-Q401 CarbonylContact C-O 3.5Å; C392-Q401 WeakPolarHBondContact CA-O 3.48Å; C392-V402 HydrophobicContact CB-CG2 4.2Å
393S98.9Very high97.7Very high0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-130.3142.5175.148.10000111.3H374 M400 Q401 W403H374-S393 PolarHBondContact CE1-O 3.18Å; H374-S393 WeakPolarHBondContact NE2-CB 3.29Å; H374-S393 PolarHBondContact NE2-OG 3.43Å; S393-M400 WeakPolarHBondContact O-CA 3.16Å; S393-Q401 PolarHBondContact N-O 3.43Å; S393-Q401 PolarHBondContact O-N 3.22Å; S393-W403 PolarHBondContact OG-NE1 3.12Å
394V98.9Very high97.6Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-125.3142.6-178.5-67.40000111S44 A47 L68 S379 D380 I399 M400S44-V394 VanDerWaalsContact O-CG2 3.23Å; S44-V394 WeakPolarHBondContact O-CG2 3.3Å; A47-V394 HydrophobicContact CB-CG1 4.18Å; A47-V394 HydrophobicContact CB-CG2 3.99Å; L68-V394 HydrophobicContact CD2-CG1 4.19Å; S379-V394 PolarHBondContact N-O 3.39Å; D380-V394 HydrophobicContact CB-CG2 4.16Å; D380-V394 WeakPolarHBondContact O-CG2 3.27Å; D380-V394 PolarHBondContact O-N 2.92Å; V394-I399 WeakPolarHBondContact CA-O 3.47Å; V394-M400 HydrophobicContact CG1-CB 4.04Å; V394-M400 HydrophobicContact CG1-CG 3.81Å; V394-M400 HydrophobicContact CG1-SD 4.41Å
395S98.6Very high97.4Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-128.1165.5179.751.80000113.6H374 K377 D397 N398 I399H374-S395 VanDerWaalsContact ND1-CB 3.33Å; H374-S395 WeakPolarHBondContact ND1-CB 3.21Å; H374-S395 PolarHBondContact ND1-OG 2.72Å; K377-S395 WeakPolarHBondContact O-CA 3.07Å; K377-S395 WeakPolarHBondContact O-CB 3.4Å; S395-D397 WeakPolarHBondContact CB-OD1 3.29Å; S395-D397 PolarHBondContact O-N 3.27Å; S395-D397 PolarHBondContact OG-OD1 3.09Å; S395-N398 PolarHBondContact O-N 3.33Å; S395-I399 PolarHBondContact N-O 3.17Å; S395-I399 PolarHBondContact OG-O 3.16Å
396E97.2Very high97.2Very high90 Ų9019.5 Ų19.542%0.42110%0.102SC..THydrogen-bonded Turntrans-66.4-17-174.9-66.2-176.4168.800114.6P43 A376 K377 N398P43-E396 VanDerWaalsContact CG-O 3.24Å; P43-E396 WeakPolarHBondContact CG-O 3.47Å; A376-E396 HydrophobicContact CB-CB 4.36Å; K377-E396 HydrophobicContact CB-CG 4.33Å; K377-E396 WeakPolarHBondContact CD-OE1 3.36Å; K377-E396 PolarHBondContact O-N 3.13Å; K377-E396 VanDerWaalsContact O-N 3.15Å; E396-N398 VanDerWaalsContact C-N 3.26Å; E396-N398 PolarHBondContact O-N 3.35Å
397D96.6Very high97Very high47 Ų4721.6 Ų21.625%0.25111%0.109SC..THydrogen-bonded Turntrans-90.427.6177.260.6-7.7000113.3T375 A376 S395 I399T375-D397 PolarHBondContact OG1-OD2 2.65Å; A376-D397 HydrophobicContact CB-CB 3.67Å; A376-D397 VanDerWaalsContact CB-CG 3.43Å; A376-D397 PolarHBondContact N-OD2 3.43Å; S395-D397 WeakPolarHBondContact CB-OD1 3.29Å; S395-D397 PolarHBondContact O-N 3.27Å; S395-D397 PolarHBondContact OG-OD1 3.09Å; D397-I399 PolarHBondContact O-N 2.97Å
398N97.4Very high96.8Very high47 Ų4726.5 Ų26.525%0.25114%0.136SC..SBendtrans67.17.6-179.9-53.657.2000115L40 E41 W42 P43 S395 E396L40-N398 WeakPolarHBondContact CB-O 3.45Å; L40-N398 PolarHBondContact N-O 3.47Å; L40-N398 WeakPolarHBondContact O-CB 3.48Å; L40-N398 PolarHBondContact O-ND2 3.22Å; E41-N398 PolarHBondContact O-ND2 2.83Å; E41-N398 VanDerWaalsContact O-ND2 3.08Å; W42-N398 VanDerWaalsContact CA-ND2 3.3Å; W42-N398 WeakPolarHBondContact CA-ND2 3.44Å; P43-N398 WeakPolarHBondContact CD-ND2 3.48Å; P43-N398 WeakPolarHBondContact CG-OD1 3.35Å; S395-N398 PolarHBondContact O-N 3.33Å; E396-N398 VanDerWaalsContact C-N 3.26Å; E396-N398 PolarHBondContact O-N 3.35Å
399I97.8Very high96.6Very high34 Ų3425.8 Ų25.817%0.17413%0.129CC..EExtended strand (participates in β ladder)trans-87.8123.4-176.2-60-60.7000110.7T37 A39 V394 S395 D397 Q401T37-I399 HydrophobicContact CG2-CG2 3.92Å; A39-I399 HydrophobicContact CB-CD1 4.29Å; V394-I399 WeakPolarHBondContact CA-O 3.47Å; S395-I399 PolarHBondContact N-O 3.17Å; S395-I399 PolarHBondContact OG-O 3.16Å; D397-I399 PolarHBondContact O-N 2.97Å; I399-Q401 HydrophobicContact CG2-CG 3.73Å
400M97.9Very high96.4Very high0 Ų027.8 Ų27.80%014%0.137CC..EExtended strand (participates in β ladder)trans-104.8131.8163.2-175.9175.776.700109.1H38 L40 L66 L68 I115 S393 V394H38-M400 HydrophobicContact CB-CE 4.3Å; H38-M400 PolarHBondContact N-O 3.38Å; H38-M400 PolarHBondContact O-N 2.85Å; L40-M400 HydrophobicContact CD1-CB 3.99Å; L40-M400 HydrophobicContact CD2-CB 4.45Å; L40-M400 HydrophobicContact CD2-SD 4.49Å; L40-M400 HydrophobicContact CG-CB 4.05Å; L66-M400 HydrophobicContact CD1-CE 4.4Å; L66-M400 HydrophobicContact CD1-SD 3.94Å; L68-M400 HydrophobicContact CD1-SD 3.79Å; L68-M400 HydrophobicContact CD2-SD 4.14Å; I115-M400 HydrophobicContact CB-CE 4.4Å; I115-M400 HydrophobicContact CD1-CE 3.5Å; I115-M400 HydrophobicContact CG1-CE 4.04Å; I115-M400 HydrophobicContact CG2-CE 3.59Å; S393-M400 WeakPolarHBondContact O-CA 3.16Å; V394-M400 HydrophobicContact CG1-CB 4.04Å; V394-M400 HydrophobicContact CG1-CG 3.81Å; V394-M400 HydrophobicContact CG1-SD 4.41Å
401Q97.5Very high96Very high1 Ų131 Ų311%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-121.4130172.7-59.9-166.82.500110.5M36 T37 H371 G373 C392 S393 I399M36-Q401 CarbonylContact O-C 3.59Å; M36-Q401 VanDerWaalsContact O-CA 3.28Å; M36-Q401 WeakPolarHBondContact O-CA 3.18Å; T37-Q401 HydrophobicContact CG2-CG 4.29Å; H371-Q401 PolarHBondContact CE1-OE1 2.89Å; H371-Q401 PolarHBondContact NE2-OE1 2.95Å; H371-Q401 VanDerWaalsContact NE2-OE1 3.13Å; G373-Q401 PolarHBondContact O-NE2 3.26Å; C392-Q401 CarbonylContact C-O 3.5Å; C392-Q401 WeakPolarHBondContact CA-O 3.48Å; S393-Q401 PolarHBondContact N-O 3.43Å; S393-Q401 PolarHBondContact O-N 3.22Å; I399-Q401 HydrophobicContact CG2-CG 3.73Å
402V97.4Very high94.6Very high0 Ų035.9 Ų35.90%018%0.18CC..EExtended strand (participates in β ladder)trans-109.1118.5165.7-179.80000107.3L34 M36 W49 V84 L86 V390 I391 C392L34-V402 HydrophobicContact CD2-CG1 4.42Å; M36-V402 HydrophobicContact CB-CB 4.2Å; M36-V402 WeakPolarHBondContact CB-O 3.35Å; M36-V402 PolarHBondContact N-O 3.12Å; M36-V402 PolarHBondContact O-N 2.94Å; M36-V402 HydrophobicContact SD-CB 4.48Å; W49-V402 HydrophobicContact CH2-CG1 4.09Å; W49-V402 HydrophobicContact CH2-CG2 4.33Å; W49-V402 HydrophobicContact CZ2-CG1 3.88Å; W49-V402 HydrophobicContact CZ2-CG2 4.26Å; V84-V402 HydrophobicContact CG1-CG2 4.34Å; L86-V402 HydrophobicContact CD2-CG1 3.86Å; V390-V402 HydrophobicContact CG1-CG1 3.86Å; I391-V402 CarbonylContact O-C 3.56Å; I391-V402 WeakPolarHBondContact O-CA 3.3Å; C392-V402 HydrophobicContact CB-CG2 4.2Å
403W96.4Very high92.3Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-145.6158.2-169.959.3-87.2000112.1Y32 L34 L343 V345 F369 H371 V390 I391 S393Y32-W403 HydrophobicContact CD1-CB 4.32Å; Y32-W403 AromaticContact CD1-CE3 3.95Å; Y32-W403 HydrophobicContact CD1-CE3 3.95Å; Y32-W403 HydrophobicContact CE1-CB 4.47Å; Y32-W403 HydrophobicContact CE1-CD2 4.18Å; Y32-W403 AromaticContact CE1-CE3 3.59Å; Y32-W403 HydrophobicContact CE1-CE3 3.59Å; Y32-W403 HydrophobicContact CE1-CZ3 4.17Å; L34-W403 CarbonylContact O-C 3.6Å; L34-W403 WeakPolarHBondContact O-CA 3.31Å; L34-W403 WeakPolarHBondContact O-CB 3.45Å; L343-W403 HydrophobicContact CD1-CZ2 4.01Å; L343-W403 HydrophobicContact CD2-CH2 3.85Å; L343-W403 HydrophobicContact CD2-CZ2 3.72Å; L343-W403 HydrophobicContact CG-CZ2 4.3Å; V345-W403 HydrophobicContact CG2-CH2 4.24Å; F369-W403 HydrophobicContact CD1-CH2 4.24Å; F369-W403 AromaticContact CD1-CZ3 3.97Å; F369-W403 HydrophobicContact CD1-CZ3 3.97Å; F369-W403 HydrophobicContact CE1-CE3 4.37Å; F369-W403 HydrophobicContact CE1-CH2 4.22Å; F369-W403 AromaticContact CE1-CZ3 3.68Å; F369-W403 HydrophobicContact CE1-CZ3 3.68Å; H371-W403 HydrophobicContact CB-CH2 3.61Å; H371-W403 HydrophobicContact CB-CZ2 3.55Å; H371-W403 HydrophobicContact CB-CZ3 4.19Å; H371-W403 AromaticContact CE1-CD1 3.65Å; H371-W403 AromaticContact CE1-CD2 3.97Å; H371-W403 AromaticContact CE1-CE2 3.89Å; H371-W403 AromaticContact CE1-CG 3.83Å; H371-W403 AromaticContact CE1-NE1 3.67Å; H371-W403 AromaticContact CG-CE2 3.6Å; H371-W403 AromaticContact CG-CZ2 3.58Å; H371-W403 AromaticContact CG-NE1 3.95Å; H371-W403 AromaticContact ND1-CD1 3.94Å; H371-W403 AromaticContact ND1-CD2 3.48Å; H371-W403 AromaticContact ND1-CE2 3.44Å; H371-W403 AromaticContact ND1-CE3 3.94Å; H371-W403 AromaticContact ND1-CG 3.81Å; H371-W403 AromaticContact ND1-CZ2 3.87Å; H371-W403 AromaticContact ND1-NE1 3.72Å; H371-W403 AromaticContact NE2-NE1 3.9Å; V390-W403 WeakPolarHBondContact CA-O 3.13Å; I391-W403 HydrophobicContact CB-CD2 4.37Å; I391-W403 HydrophobicContact CB-CH2 4.45Å; I391-W403 HydrophobicContact CB-CZ2 3.92Å; I391-W403 HydrophobicContact CD1-CH2 3.69Å; I391-W403 HydrophobicContact CD1-CZ2 3.79Å; I391-W403 HydrophobicContact CD1-CZ3 4.4Å; I391-W403 HydrophobicContact CG1-CZ2 4.41Å; I391-W403 HydrophobicContact CG2-CZ2 3.9Å; I391-W403 PolarHBondContact N-O 2.57Å; I391-W403 PolarHBondContact O-N 3.46Å; S393-W403 PolarHBondContact OG-NE1 3.12Å
404Q95.9Very high89.7Confident39 Ų3949.6 Ų49.618%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-140.7125.2178.3-169.9-179.12600107.7Y32 D33 L34 P388 W389 V390Y32-Q404 VanDerWaalsContact CA-O 3.23Å; Y32-Q404 WeakPolarHBondContact CA-O 3.46Å; Y32-Q404 WeakPolarHBondContact CB-O 3.42Å; Y32-Q404 WeakPolarHBondContact CD1-O 3.41Å; D33-Q404 PolarHBondContact N-O 2.74Å; L34-Q404 HydrophobicContact CB-CB 3.79Å; L34-Q404 PolarHBondContact N-O 3.34Å; L34-Q404 PolarHBondContact O-N 2.84Å; P388-Q404 PolarHBondContact O-NE2 3.33Å; W389-Q404 HydrophobicContact CB-CG 3.96Å; V390-Q404 HydrophobicContact CG2-CB 4.17Å; V390-Q404 HydrophobicContact CG2-CG 4.09Å
405M95.4Very high87.1Confident0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-66.9154.7176.574.1-17970.200110.6L31 V345 L368 F369 W389 I409 Y410L31-M405 WeakPolarHBondContact O-CA 3.32Å; V345-M405 HydrophobicContact CB-CE 3.93Å; V345-M405 HydrophobicContact CG1-CE 3.93Å; V345-M405 HydrophobicContact CG2-CE 3.68Å; L368-M405 HydrophobicContact CD2-SD 4.37Å; F369-M405 HydrophobicContact CB-CE 3.9Å; F369-M405 HydrophobicContact CB-SD 4.16Å; F369-M405 HydrophobicContact CD1-CB 4.33Å; F369-M405 HydrophobicContact CD1-CE 4.17Å; F369-M405 HydrophobicContact CD2-CB 4.26Å; F369-M405 HydrophobicContact CE1-CB 4.24Å; F369-M405 HydrophobicContact CE2-CB 4.17Å; F369-M405 HydrophobicContact CG-CB 4.32Å; F369-M405 HydrophobicContact CG-CE 4.13Å; F369-M405 HydrophobicContact CG-SD 4.35Å; F369-M405 HydrophobicContact CZ-CB 4.15Å; W389-M405 HydrophobicContact CE3-CE 3.82Å; W389-M405 HydrophobicContact CE3-CG 4.44Å; W389-M405 HydrophobicContact CE3-SD 3.93Å; W389-M405 HydrophobicContact CZ3-CE 4.03Å; W389-M405 HydrophobicContact CZ3-SD 4.04Å; M405-I409 HydrophobicContact CB-CD1 4.35Å; M405-I409 HydrophobicContact SD-CG2 4.18Å; M405-Y410 HydrophobicContact CG-CD1 3.63Å; M405-Y410 HydrophobicContact CG-CE1 3.81Å; M405-Y410 HydrophobicContact SD-CD1 3.79Å
406A92.6Very high84.4Confident5 Ų563.1 Ų63.14%0.04132%0.321CS..  trans-65.1141.3-178.600000112.5L31 D33 N408 I409 Y410L31-A406 PolarHBondContact O-N 3.16Å; D33-A406 WeakPolarHBondContact OD2-CA 3.31Å; A406-N408 VanDerWaalsContact C-N 3.27Å; A406-N408 WeakPolarHBondContact CB-OD1 3.31Å; A406-N408 PolarHBondContact O-N 3.16Å; A406-I409 HydrophobicContact CB-CD1 4.1Å; A406-I409 HydrophobicContact CB-CG1 4.31Å; A406-I409 WeakPolarHBondContact O-CB 3.46Å; A406-I409 PolarHBondContact O-N 3.06Å; A406-Y410 WeakPolarHBondContact O-CE1 3.47Å
407E92.3Very high81.5Confident105 Ų10561.7 Ų61.749%0.49133%0.331SS..Hα-helixtrans-53.5-40.6-176.9-172.5-179.8-177.800114.2D33 I409 Y410 N411D33-E407 PolarHBondContact OD2-N 2.9Å; E407-I409 PolarHBondContact O-N 3.22Å; E407-Y410 VanDerWaalsContact CA-CE1 3.5Å; E407-Y410 VanDerWaalsContact CA-CZ 3.49Å; E407-Y410 HydrophobicContact CG-CE2 4.06Å; E407-Y410 PolarHBondContact O-N 3.16Å; E407-N411 HydrophobicContact CG-CB 3.92Å; E407-N411 VanDerWaalsContact O-CB 3.29Å; E407-N411 WeakPolarHBondContact O-CB 3.3Å; E407-N411 PolarHBondContact O-N 3.21Å; E407-N411 PolarHBondContact OE1-ND2 2.95Å
408N91.8Very high78.6Confident115 Ų11563.1 Ų63.162%0.61535%0.349SS*.Hα-helixtrans-66.5-6.6-178.768.6-44.5000114.6A406A406-N408 VanDerWaalsContact C-N 3.27Å; A406-N408 WeakPolarHBondContact CB-OD1 3.31Å; A406-N408 PolarHBondContact O-N 3.16Å
409I94.1Very high75.8Confident35 Ų3564.5 Ų64.518%0.17937%0.367CS..Hα-helixtrans-83.5-36.7177.1-60.9175.7000110.8L368 F369 M405 A406 E407L368-I409 HydrophobicContact CD1-CG2 4.19Å; L368-I409 WeakPolarHBondContact CD1-O 3.49Å; L368-I409 HydrophobicContact CG-CG2 4.29Å; F369-I409 HydrophobicContact CD2-CD1 3.72Å; F369-I409 HydrophobicContact CD2-CG2 4.3Å; F369-I409 HydrophobicContact CE2-CD1 3.62Å; M405-I409 HydrophobicContact CB-CD1 4.35Å; M405-I409 HydrophobicContact SD-CG2 4.18Å; A406-I409 HydrophobicContact CB-CD1 4.1Å; A406-I409 HydrophobicContact CB-CG1 4.31Å; A406-I409 WeakPolarHBondContact O-CB 3.46Å; A406-I409 PolarHBondContact O-N 3.06Å; E407-I409 PolarHBondContact O-N 3.22Å
410Y92.6Very high73.1Confident61 Ų6170.1 Ų70.124%0.23940%0.398CS..Hα-helixtrans-111.8-17.3-17558.5-100000113.7W389 M405 A406 E407W389-Y410 HydrophobicContact CB-CE1 4.32Å; W389-Y410 AromaticContact CD1-CE1 3.92Å; W389-Y410 AromaticContact CD1-CE2 3.66Å; W389-Y410 AromaticContact CD1-CZ 3.48Å; W389-Y410 VanDerWaalsContact CD1-CZ 3.48Å; W389-Y410 AromaticContact CD2-CD1 3.95Å; W389-Y410 HydrophobicContact CD2-CD1 3.95Å; W389-Y410 HydrophobicContact CD2-CD2 4.37Å; W389-Y410 HydrophobicContact CD2-CE1 4.05Å; W389-Y410 HydrophobicContact CD2-CE2 4.48Å; W389-Y410 HydrophobicContact CD2-CG 4.1Å; W389-Y410 AromaticContact CE2-CD2 3.61Å; W389-Y410 AromaticContact CE2-CE2 3.89Å; W389-Y410 AromaticContact CE2-CG 3.67Å; W389-Y410 HydrophobicContact CE3-CD1 4.25Å; W389-Y410 HydrophobicContact CE3-CG 4.48Å; W389-Y410 HydrophobicContact CG-CD1 4.27Å; W389-Y410 AromaticContact CG-CE1 3.86Å; W389-Y410 HydrophobicContact CG-CE1 3.86Å; W389-Y410 HydrophobicContact CG-CE2 4.36Å; W389-Y410 AromaticContact CG-CZ 3.9Å; W389-Y410 HydrophobicContact CH2-CG 4.03Å; W389-Y410 HydrophobicContact CZ2-CD1 4.33Å; W389-Y410 AromaticContact CZ2-CD2 3.73Å; W389-Y410 HydrophobicContact CZ2-CD2 3.73Å; W389-Y410 HydrophobicContact CZ2-CE2 4.45Å; W389-Y410 AromaticContact CZ2-CG 3.65Å; W389-Y410 HydrophobicContact CZ2-CG 3.65Å; W389-Y410 HydrophobicContact CZ3-CG 4.44Å; W389-Y410 AromaticContact NE1-CD2 3.53Å; W389-Y410 AromaticContact NE1-CE2 3.35Å; W389-Y410 VanDerWaalsContact NE1-CE2 3.35Å; W389-Y410 AromaticContact NE1-CZ 3.67Å; M405-Y410 HydrophobicContact CG-CD1 3.63Å; M405-Y410 HydrophobicContact CG-CE1 3.81Å; M405-Y410 HydrophobicContact SD-CD1 3.79Å; A406-Y410 WeakPolarHBondContact O-CE1 3.47Å; E407-Y410 VanDerWaalsContact CA-CE1 3.5Å; E407-Y410 VanDerWaalsContact CA-CZ 3.49Å; E407-Y410 HydrophobicContact CG-CE2 4.06Å; E407-Y410 PolarHBondContact O-N 3.16Å
411N89.6Confident70.3Confident71 Ų7174.9 Ų74.938%0.3843%0.431SS..  trans-101.183.2176.5-160.911.7000109.1E407 E413E407-N411 HydrophobicContact CG-CB 3.92Å; E407-N411 VanDerWaalsContact O-CB 3.29Å; E407-N411 WeakPolarHBondContact O-CB 3.3Å; E407-N411 PolarHBondContact O-N 3.21Å; E407-N411 PolarHBondContact OE1-ND2 2.95Å; N411-E413 PolarHBondContact O-N 3.41Å
412D68.8Low67.6Low103 Ų10383.5 Ų83.555%0.55147%0.471SS*.  trans-74.176.6171.4-73.6-36.5000108.7K350 D414K350-D412 IonicContact NZ-OD2 3.73Å; K350-D412 PolarHBondContact NZ-OD2 3.06Å; D412-D414 PolarHBondContact O-N 3.17Å
413E50.8Low65.2Low160 Ų16089.2 Ų89.275%0.74851%0.506SS*.  trans-68.791.8157.6-79.1-162.5166.900107.4N411 P415N411-E413 PolarHBondContact O-N 3.41Å; E413-P415 WeakPolarHBondContact O-CD 3.49Å
414D44.2Very low62.5Low129 Ų12998.4 Ų98.469%0.6955%0.549SS*.  trans-51.4109.9165.6-103.2-29.4000108.6D412 E416 G417D412-D414 PolarHBondContact O-N 3.17Å; D414-E416 PolarHBondContact O-N 3.2Å; D414-G417 PolarHBondContact O-N 3.04Å
415P44Very low59.7Low112 Ų112105.1 Ų105.173%0.72761%0.611SS**THydrogen-bonded Turntrans-65.3-12.4179.5-17.531.7000112E413E413-P415 WeakPolarHBondContact O-CD 3.49Å
416E41.7Very low57.9Low171 Ų171110.4 Ų110.480%0.79964%0.641SS**THydrogen-bonded Turntrans-81-13.5-178.2-64.2-162.615800113.7D414D414-E416 PolarHBondContact O-N 3.2Å
417G36.8Very low56.1Low61 Ų61115.9 Ų115.963%0.62967%0.673SS**SBendtrans-82.9-1917900000115.4D414D414-G417 PolarHBondContact O-N 3.04Å
418A36.6Very low54.1Low77 Ų77116.6 Ų116.664%0.63668%0.683SS**SBendtrans-87.4-17.1-175.500000113.8
419A38.6Very low51.9Low75 Ų75116.6 Ų116.662%0.6269%0.687SS**THydrogen-bonded Turntrans-80.9-15.4-174.800000114.8
420D40Very low49.3Very low153 Ų153121.8 Ų121.882%0.81872%0.719SS**THydrogen-bonded Turntrans-98.54-173.9-98.3-4.3000115
421S40.3Very low46.4Very low99 Ų99125.8 Ų125.869%0.69275%0.751SS**SBendtrans-101.1-5.9179.667.20000115.8
422E40.7Very low43.3Very low183 Ų183129.7 Ų129.786%0.85578%0.777SS**SBendtrans-98.36.2177.6-78.5-161.9154.600115.2
423V45.3Very low41.3Very low120 Ų120131.8 Ų131.873%0.72780%0.795SS**SBendtrans-113.759.6173.2-164.90000111.2
424Q40.1Very low40.5Very low193 Ų193129.4 Ų129.490%0.90280%0.799SS**  trans-17889.8148.7-103.4162.26300111.7
425A38.2Very low40.2Very low180 Ų180129.5 Ų129.5100%1.48881%0.809SS**  trans-1600146.300000110.5

Retrieved 425 of 425 residues in 810.2 ms (Link to these results)

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