A0A060YJC9_ONCMY Loading...

DDB1- and CUL4-associated factor 7

AlphaFold DB , UniProt , Accession A0A060YJC9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538639, Length 342 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
1M34.2Very low60.4Low252 Ų252129.5 Ų129.5100%1.24166%0.656SS**  0113.70-77.7172.7175.300107.4
2S36.9Very low63.4Low87 Ų87126 Ų12661%0.60863%0.633SS**  cis-146.4124.6-18.4176.70000103.6H4S2-H4 PolarHBondContact O-N 2.97Å; S2-H4 PolarHBondContact OG-CE1 2.82Å; S2-H4 PolarHBondContact OG-ND1 3.17Å
3L37Very low66Low187 Ų187118.6 Ų118.698%0.97959%0.593SS**  trans-74.676.4174.5-82.6151.6000108.6G5L3-G5 PolarHBondContact O-N 3.34Å
4H42Very low68.3Low166 Ų166119.5 Ų119.577%0.76959%0.594SS**  trans-85.494.1164.3-80.570.7000107.5S2S2-H4 PolarHBondContact O-N 2.97Å; S2-H4 PolarHBondContact OG-CE1 2.82Å; S2-H4 PolarHBondContact OG-ND1 3.17Å
5G47.2Very low70.2Confident67 Ų67111.7 Ų111.769%0.69156%0.556SS**PPolyproline II helixtrans-54.1141.5166.300000109.8L3 R7L3-G5 PolarHBondContact O-N 3.34Å; G5-R7 PolarHBondContact O-N 3.46Å
6K53.5Low71.9Confident212 Ų212111.5 Ų111.592%0.92257%0.565SS**PPolyproline II helixtrans-54117176.3-74.6-177.6174.5-175.30108.6K8K6-K8 PolarHBondContact O-N 3.06Å
7R62.5Low73.3Confident122 Ų122106.8 Ų106.846%0.4654%0.539SS..PPolyproline II helixtrans-61.9132.1176.6-166.7175.7-177.7153.39.7108.1G5 E9 E54G5-R7 PolarHBondContact O-N 3.46Å; R7-E9 PolarHBondContact O-N 2.71Å; R7-E54 IonicContact CZ-OE2 3.83Å; R7-E54 IonicContact NH2-OE2 2.76Å; R7-E54 PolarHBondContact NH2-OE2 2.94Å
8K72.9Confident74.6Confident114 Ų114104.3 Ų104.350%0.49653%0.53SS..PPolyproline II helixtrans-60.7137.3176.6-65.9-178.1-178.2172.70109.1K6 Y11K6-K8 PolarHBondContact O-N 3.06Å; K8-Y11 HydrophobicContact CB-CD1 4.34Å; K8-Y11 HydrophobicContact CB-CE1 3.85Å; K8-Y11 HydrophobicContact CB-CE2 4.18Å; K8-Y11 HydrophobicContact CD-CD1 4.16Å; K8-Y11 HydrophobicContact CD-CE1 3.97Å; K8-Y11 HydrophobicContact CG-CE1 4.34Å; K8-Y11 WeakPolarHBondContact O-CE2 3.38Å
9E87.2Confident75.8Confident135 Ų13598.9 Ų98.963%0.63150%0.503SS*.SBendtrans-90.1-14.7177.4-67.5175.3171.700111.8R7 R341R7-E9 PolarHBondContact O-N 2.71Å; E9-R341 HydrophobicContact CB-CB 4.47Å; E9-R341 WeakPolarHBondContact O-CB 3.42Å; E9-R341 PolarHBondContact O-N 3.13Å
10I94.3Very high76.8Confident75 Ų7598.5 Ų98.539%0.38550%0.496SS..EExtended strand (participates in β ladder)trans-134.1132.7178.3-57.9174.9000108.4Y310 I339 L340I10-Y310 HydrophobicContact CD1-CE2 3.81Å; I10-I339 WeakPolarHBondContact CA-O 3.47Å; I10-L340 HydrophobicContact CB-CD2 4.39Å; I10-L340 HydrophobicContact CD1-CD2 4.11Å; I10-L340 HydrophobicContact CG1-CD2 3.83Å; I10-L340 HydrophobicContact CG2-CD2 3.89Å
11Y96.4Very high77.8Confident8 Ų893.9 Ų93.93%0.03147%0.473CS..EExtended strand (participates in β ladder)trans-124.4137.8169.9-59.8-92.7000109.4K8 L52 W328 E338 I339K8-Y11 HydrophobicContact CB-CD1 4.34Å; K8-Y11 HydrophobicContact CB-CE1 3.85Å; K8-Y11 HydrophobicContact CB-CE2 4.18Å; K8-Y11 HydrophobicContact CD-CD1 4.16Å; K8-Y11 HydrophobicContact CD-CE1 3.97Å; K8-Y11 HydrophobicContact CG-CE1 4.34Å; K8-Y11 WeakPolarHBondContact O-CE2 3.38Å; Y11-L52 HydrophobicContact CD1-CD1 3.49Å; Y11-L52 VanDerWaalsContact CD1-CD1 3.49Å; Y11-L52 HydrophobicContact CD1-CD2 3.98Å; Y11-L52 HydrophobicContact CD1-CG 4.38Å; Y11-L52 HydrophobicContact CD2-CD2 3.87Å; Y11-L52 HydrophobicContact CE1-CD1 3.98Å; Y11-L52 HydrophobicContact CE1-CD2 3.96Å; Y11-L52 HydrophobicContact CE2-CD2 3.87Å; Y11-L52 HydrophobicContact CG-CD1 3.86Å; Y11-L52 HydrophobicContact CG-CD2 3.93Å; Y11-W328 AromaticContact CD2-CH2 3.61Å; Y11-W328 HydrophobicContact CD2-CH2 3.61Å; Y11-W328 AromaticContact CD2-CZ3 3.7Å; Y11-W328 HydrophobicContact CD2-CZ3 3.7Å; Y11-W328 AromaticContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CZ2 4.1Å; Y11-W328 AromaticContact CE2-CZ3 4Å; Y11-W328 HydrophobicContact CE2-CZ3 4Å; Y11-E338 WeakPolarHBondContact O-CA 3.46Å; Y11-I339 HydrophobicContact CD2-CD1 4.01Å; Y11-I339 HydrophobicContact CD2-CG1 4.1Å; Y11-I339 HydrophobicContact CG-CD1 4.45Å; Y11-I339 HydrophobicContact CG-CG1 4.38Å; Y11-I339 PolarHBondContact N-O 2.68Å; Y11-I339 PolarHBondContact O-N 3.33Å
12K96.1Very high80.8Confident87 Ų8782.1 Ų82.138%0.37842%0.415SS..EExtended strand (participates in β ladder)trans-119.2141.6-176.3-173.4172.2-171.6168.40110.6E313 Y333 C336 L337 E338K12-E313 IonicContact NZ-OE2 2.75Å; K12-E313 PolarHBondContact NZ-OE2 2.76Å; K12-Y333 PolarHBondContact NZ-OH 3.49Å; K12-C336 WeakPolarHBondContact CE-SG 3.37Å; K12-L337 CarbonylContact C-O 3.49Å; K12-L337 WeakPolarHBondContact CA-O 3.08Å; K12-E338 HydrophobicContact CB-CG 4.16Å; K12-E338 HydrophobicContact CD-CG 4.32Å; K12-E338 WeakPolarHBondContact CD-OE1 3.43Å; K12-E338 HydrophobicContact CG-CG 3.92Å; K12-E338 IonicContact NZ-OE1 2.66Å
13Y97.6Very high83.7Confident30 Ų3079 Ų7912%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-126.5123169.6176.2-103.2000108.8A15 W17 L36 Q48 V50 F59 L337Y13-A15 HydrophobicContact CE1-CB 4.16Å; Y13-W17 HydrophobicContact CE1-CZ3 4.48Å; Y13-L36 HydrophobicContact CD1-CD1 3.74Å; Y13-L36 HydrophobicContact CE1-CD1 3.94Å; Y13-Q48 VanDerWaalsContact CZ-NE2 3.33Å; Y13-Q48 PolarHBondContact OH-NE2 3.44Å; Y13-V50 HydrophobicContact CD1-CG1 3.96Å; Y13-V50 HydrophobicContact CD2-CG1 4.48Å; Y13-V50 HydrophobicContact CE1-CG1 3.67Å; Y13-V50 HydrophobicContact CE2-CG1 4.24Å; Y13-V50 HydrophobicContact CG-CG1 4.38Å; Y13-F59 HydrophobicContact CD2-CB 3.52Å; Y13-F59 HydrophobicContact CD2-CG 4.42Å; Y13-F59 HydrophobicContact CG-CB 3.96Å; Y13-F59 HydrophobicContact CG-CG 4.4Å; Y13-L337 PolarHBondContact N-O 2.8Å; Y13-L337 PolarHBondContact O-N 2.98Å
14E97.8Very high86.6Confident131 Ų13170.3 Ų70.361%0.61235%0.346SS*.EExtended strand (participates in β ladder)trans-94.4128.3174.5-167.5173.8178.200110.4N335E14-N335 WeakPolarHBondContact CG-ND2 3.47Å; E14-N335 PolarHBondContact OE1-ND2 3.09Å
15A97.3Very high89.2Confident3 Ų362.5 Ų62.53%0.02531%0.31CS..  trans-100.7137.2-16700000107.1Y13 W17 V19 N335Y13-A15 HydrophobicContact CE1-CB 4.16Å; A15-W17 VanDerWaalsContact CA-CE3 3.45Å; A15-W17 HydrophobicContact CB-CE3 3.22Å; A15-W17 HydrophobicContact CB-CH2 4.43Å; A15-W17 HydrophobicContact CB-CZ3 3.15Å; A15-W17 WeakPolarHBondContact CB-O 3.34Å; A15-W17 PolarHBondContact O-N 3.31Å; A15-V19 HydrophobicContact CB-CG2 3.61Å; A15-N335 WeakPolarHBondContact CA-O 3.37Å; A15-N335 HydrophobicContact CB-CB 4.43Å; A15-N335 WeakPolarHBondContact CB-O 3.43Å; A15-N335 PolarHBondContact N-O 3.26Å; A15-N335 WeakPolarHBondContact O-CB 3.45Å; A15-N335 PolarHBondContact O-ND2 2.97Å
16P96.8Very high91.5Very high108 Ų10860.4 Ų60.470%0.70128%0.283SS*.SBendtrans-60.70.3175.3-3137.5000117.6
17W96.9Very high93.2Very high31 Ų3152.8 Ų52.812%0.11725%0.249CC..SBendtrans-160.6165.4-169.340.8-169.4000110.8Y13 A15 V19 V40 K46 Q48 N335Y13-W17 HydrophobicContact CE1-CZ3 4.48Å; A15-W17 VanDerWaalsContact CA-CE3 3.45Å; A15-W17 HydrophobicContact CB-CE3 3.22Å; A15-W17 HydrophobicContact CB-CH2 4.43Å; A15-W17 HydrophobicContact CB-CZ3 3.15Å; A15-W17 WeakPolarHBondContact CB-O 3.34Å; A15-W17 PolarHBondContact O-N 3.31Å; W17-V19 PolarHBondContact O-N 3.46Å; W17-V40 HydrophobicContact CB-CG2 4.24Å; W17-K46 HydrophobicContact CZ2-CB 4.45Å; W17-Q48 HydrophobicContact CH2-CB 3.57Å; W17-Q48 VanDerWaalsContact CH2-CD 3.41Å; W17-Q48 HydrophobicContact CH2-CG 4.07Å; W17-Q48 HydrophobicContact CZ2-CB 3.65Å; W17-Q48 HydrophobicContact CZ2-CG 4.47Å; W17-N335 VanDerWaalsContact O-CA 3.32Å; W17-N335 WeakPolarHBondContact O-CA 3.5Å; W17-N335 VanDerWaalsContact O-CB 3.28Å; W17-N335 WeakPolarHBondContact O-CB 3.15Å
18T96.9Very high94.3Very high62 Ų6250.5 Ų50.538%0.3825%0.25SC..EExtended strand (participates in β ladder)trans-62.3131.4175.8-59.70000110.5S38 F39 N334T18-S38 CarbonylContact O-C 3.6Å; T18-S38 WeakPolarHBondContact O-CA 3.4Å; T18-F39 HydrophobicContact CG2-CB 4.24Å; T18-F39 PolarHBondContact O-N 2.83Å; T18-N334 CarbonylContact C-O 3.54Å; T18-N334 VanDerWaalsContact CA-O 3.27Å; T18-N334 WeakPolarHBondContact CA-O 3.45Å; T18-N334 WeakPolarHBondContact CG2-O 3.5Å
19V97.1Very high95.1Very high3 Ų349.1 Ų49.12%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-82.3119.1177.7179.40000108.9A15 W17 L36 N334A15-V19 HydrophobicContact CB-CG2 3.61Å; W17-V19 PolarHBondContact O-N 3.46Å; V19-L36 HydrophobicContact CG1-CD2 4.23Å; V19-N334 PolarHBondContact N-O 2.69Å
20Y96.4Very high95.3Very high90 Ų9044.4 Ų44.435%0.35323%0.225SC..EExtended strand (participates in β ladder)trans-104.3-44.7-175.8-169.7-125.2000113.1G37 F39 P70 T71Y20-G37 PolarHBondContact N-O 2.73Å; Y20-F39 HydrophobicContact CD2-CB 4.32Å; Y20-F39 AromaticContact CD2-CD2 3.81Å; Y20-F39 HydrophobicContact CD2-CD2 3.81Å; Y20-F39 HydrophobicContact CD2-CG 4.47Å; Y20-F39 HydrophobicContact CE2-CD2 4.07Å; Y20-F39 HydrophobicContact CG-CB 4.25Å; Y20-F39 HydrophobicContact CG-CD2 4.12Å; Y20-P70 HydrophobicContact CD1-CB 3.62Å; Y20-P70 HydrophobicContact CE1-CB 3.82Å; Y20-P70 HydrophobicContact CG-CB 4.32Å; Y20-T71 WeakPolarHBondContact CD1-O 3.24Å; Y20-T71 WeakPolarHBondContact CE1-O 3.42Å
21A97Very high95.2Very high2 Ų245.8 Ų45.82%0.01723%0.226CC..EExtended strand (participates in β ladder)trans-133.6150.9179.300000110.2L36 G37 T71 I74A21-L36 CarbonylContact O-C 3.57Å; A21-L36 WeakPolarHBondContact O-CA 3.33Å; A21-G37 PolarHBondContact N-O 3.2Å; A21-G37 PolarHBondContact O-N 3.48Å; A21-T71 VanDerWaalsContact CB-O 3.32Å; A21-T71 WeakPolarHBondContact CB-O 3.46Å; A21-I74 HydrophobicContact CB-CB 4.49Å; A21-I74 HydrophobicContact CB-CD1 4.16Å; A21-I74 HydrophobicContact CB-CG1 3.96Å
22M97.6Very high95.1Very high4 Ų445.5 Ų45.52%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-153.4154.8175.963.6-175.4-172.600111.9A35 L36 N318 Q320 A330 L337M22-A35 CarbonylContact C-O 3.42Å; M22-A35 WeakPolarHBondContact CA-O 3.43Å; M22-L36 HydrophobicContact CB-CD2 3.58Å; M22-N318 VanDerWaalsContact CE-C 3.43Å; M22-N318 HydrophobicContact CE-CB 3.86Å; M22-N318 WeakPolarHBondContact CE-O 3.43Å; M22-N318 HydrophobicContact CG-CB 4.33Å; M22-N318 HydrophobicContact SD-CB 4.49Å; M22-Q320 HydrophobicContact CE-CB 4.23Å; M22-Q320 HydrophobicContact CE-CG 4.01Å; M22-Q320 HydrophobicContact CG-CG 4.04Å; M22-A330 HydrophobicContact CE-CB 3.98Å; M22-A330 WeakPolarHBondContact CE-O 3.29Å; M22-A330 HydrophobicContact SD-CB 4.16Å; M22-L337 HydrophobicContact SD-CD1 3.78Å
23N98.1Very high95.1Very high21 Ų2141.9 Ų41.911%0.11221%0.208CC..EExtended strand (participates in β ladder)trans-156.3144.2171.3-171.4-111.1000112.3L34 A35 I74 M75 W76 Q320N23-L34 WeakPolarHBondContact O-CA 3.08Å; N23-A35 PolarHBondContact N-O 3.38Å; N23-A35 PolarHBondContact O-N 3.1Å; N23-I74 WeakPolarHBondContact CB-O 3.37Å; N23-M75 WeakPolarHBondContact OD1-CA 3.4Å; N23-W76 PolarHBondContact O-NE1 2.92Å; N23-W76 PolarHBondContact OD1-N 3.29Å; N23-Q320 PolarHBondContact ND2-OE1 2.82Å
24W97.6Very high95.2Very high6 Ų640.4 Ų40.42%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-75.2139175.8-69.7100.3000111.5F32 L34 W76 Q320 A322 W328 A330 I339W24-F32 HydrophobicContact CH2-CD1 4.45Å; W24-F32 HydrophobicContact CZ3-CD1 4.22Å; W24-L34 HydrophobicContact CD2-CD1 4.29Å; W24-L34 HydrophobicContact CD2-CD2 3.77Å; W24-L34 HydrophobicContact CD2-CG 3.84Å; W24-L34 HydrophobicContact CE3-CD1 3.65Å; W24-L34 HydrophobicContact CE3-CD2 4.01Å; W24-L34 HydrophobicContact CE3-CG 3.6Å; W24-L34 HydrophobicContact CG-CD2 4.28Å; W24-L34 HydrophobicContact CG-CG 4.47Å; W24-L34 HydrophobicContact CH2-CD1 3.89Å; W24-L34 HydrophobicContact CH2-CD2 4.38Å; W24-L34 HydrophobicContact CH2-CG 4.44Å; W24-L34 HydrophobicContact CZ2-CD1 4.47Å; W24-L34 HydrophobicContact CZ2-CD2 4.14Å; W24-L34 HydrophobicContact CZ3-CD1 3.42Å; W24-L34 VanDerWaalsContact CZ3-CD1 3.42Å; W24-L34 HydrophobicContact CZ3-CD2 4.29Å; W24-L34 HydrophobicContact CZ3-CG 3.91Å; W24-W76 VanDerWaalsContact C-CD1 3.4Å; W24-W76 VanDerWaalsContact O-CD1 3.25Å; W24-Q320 PolarHBondContact NE1-O 3.29Å; W24-A322 HydrophobicContact CD2-CB 3.67Å; W24-A322 HydrophobicContact CE3-CB 4.09Å; W24-A322 HydrophobicContact CG-CB 3.93Å; W24-A322 HydrophobicContact CH2-CB 4.41Å; W24-A322 HydrophobicContact CZ2-CB 4.05Å; W24-A322 HydrophobicContact CZ3-CB 4.45Å; W24-W328 HydrophobicContact CH2-CB 4.45Å; W24-W328 HydrophobicContact CZ2-CB 4.47Å; W24-A330 HydrophobicContact CZ2-CB 3.56Å; W24-I339 HydrophobicContact CH2-CB 3.97Å; W24-I339 HydrophobicContact CH2-CD1 4.08Å; W24-I339 HydrophobicContact CH2-CG2 3.44Å; W24-I339 VanDerWaalsContact CH2-CG2 3.44Å; W24-I339 HydrophobicContact CZ2-CB 4.19Å; W24-I339 HydrophobicContact CZ2-CG2 3.6Å; W24-I339 HydrophobicContact CZ3-CG2 4.49Å
25S96.4Very high95.2Very high2 Ų234.2 Ų34.21%0.01417%0.174CC..  trans-69.9133.9166.3-163.80000110.7R27 R33 T324S25-R27 VanDerWaalsContact C-N 3.33Å; S25-R33 WeakPolarHBondContact CB-O 3.1Å; S25-R33 PolarHBondContact N-O 2.75Å; S25-R33 PolarHBondContact OG-NE 2.74Å; S25-R33 PolarHBondContact OG-NH2 3.36Å; S25-T324 PolarHBondContact O-OG1 3.49Å
26V94.3Very high95.2Very high22 Ų2234.1 Ų34.113%0.13317%0.173CC..  trans-92.35177.8-55.30000113.3I77 S323 T324V26-I77 WeakPolarHBondContact CG2-O 3.34Å; V26-S323 WeakPolarHBondContact CG1-OG 3.19Å; V26-T324 HydrophobicContact CB-CG2 4.4Å; V26-T324 WeakPolarHBondContact O-CG2 3.49Å
27R90.8Very high95.3Very high52 Ų5229 Ų2920%0.19614%0.14CC..  trans-75.5125.1179.3-81.5-167.464.316510.9111.5S25 D29 K30 D86S25-R27 VanDerWaalsContact C-N 3.33Å; R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.26Å; R27-D29 IonicContact CZ-OD2 3.89Å; R27-D29 IonicContact NE-OD1 3.75Å; R27-D29 PolarHBondContact NE-OD1 3.1Å; R27-D29 IonicContact NE-OD2 2.81Å; R27-D29 VanDerWaalsContact NH2-CG 3.27Å; R27-D29 IonicContact NH2-OD1 2.91Å; R27-D29 PolarHBondContact NH2-OD1 2.89Å; R27-D29 VanDerWaalsContact NH2-OD1 3.1Å; R27-D29 IonicContact NH2-OD2 2.91Å; R27-D29 PolarHBondContact NH2-OD2 2.89Å; R27-D29 PolarHBondContact O-N 2.86Å; R27-K30 HydrophobicContact CB-CB 4.16Å; R27-K30 HydrophobicContact CB-CG 4.33Å; R27-K30 PolarHBondContact O-N 2.92Å; R27-D86 WeakPolarHBondContact CD-OD1 3.45Å; R27-D86 IonicContact CZ-OD2 3.1Å; R27-D86 IonicContact NH1-OD2 2.82Å; R27-D86 PolarHBondContact NH1-OD2 2.78Å; R27-D86 VanDerWaalsContact NH1-OD2 3.09Å
28P85.6Confident95.4Very high74 Ų7427.6 Ų27.648%0.48113%0.134SC..THydrogen-bonded Turntrans-62.5-31.3179.6-23.633.5000114K30 S80P28-K30 VanDerWaalsContact C-N 3.32Å; P28-S80 WeakPolarHBondContact CD-O 3.35Å; P28-S80 WeakPolarHBondContact CG-O 3.46Å
29D89.3Confident95.3Very high86 Ų8628.8 Ų28.846%0.4614%0.135SC..THydrogen-bonded Turntrans-82.2-7.9-178.766.2-58.1000113.7R27R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.26Å; R27-D29 IonicContact CZ-OD2 3.89Å; R27-D29 IonicContact NE-OD1 3.75Å; R27-D29 PolarHBondContact NE-OD1 3.1Å; R27-D29 IonicContact NE-OD2 2.81Å; R27-D29 VanDerWaalsContact NH2-CG 3.27Å; R27-D29 IonicContact NH2-OD1 2.91Å; R27-D29 PolarHBondContact NH2-OD1 2.89Å; R27-D29 VanDerWaalsContact NH2-OD1 3.1Å; R27-D29 IonicContact NH2-OD2 2.91Å; R27-D29 PolarHBondContact NH2-OD2 2.89Å; R27-D29 PolarHBondContact O-N 2.86Å
30K90.4Very high95.2Very high35 Ų3530.2 Ų30.215%0.15214%0.143CC..SBendtrans-123.461.4-178.8-56.3-65.7-177.5-175.90110.1R27 P28 R33 E102R27-K30 HydrophobicContact CB-CB 4.16Å; R27-K30 HydrophobicContact CB-CG 4.33Å; R27-K30 PolarHBondContact O-N 2.92Å; P28-K30 VanDerWaalsContact C-N 3.32Å; K30-R33 HydrophobicContact CB-CB 4.37Å; K30-R33 WeakPolarHBondContact O-CB 3.42Å; K30-E102 IonicContact NZ-OE1 3.35Å; K30-E102 PolarHBondContact NZ-OE1 2.89Å
31R92.4Very high94.9Very high105 Ų10534.4 Ų34.440%0.39617%0.166SC..THydrogen-bonded Turntrans-57.4147.9177.7-64.5-174.268.5-139.4-1.5111.8R33 E54R31-R33 PolarHBondContact O-N 3.49Å; R31-R33 VanDerWaalsContact O-N 3.1Å; R31-E54 IonicContact CZ-OE1 3.61Å; R31-E54 IonicContact CZ-OE2 3.78Å; R31-E54 IonicContact NH1-OE1 2.71Å; R31-E54 PolarHBondContact NH1-OE1 3.07Å; R31-E54 IonicContact NH1-OE2 2.94Å; R31-E54 PolarHBondContact NH1-OE2 3.28Å; R31-E54 IonicContact NH2-OE2 3.87Å
32F94.9Very high94.6Very high1 Ų140 Ų400%0.00419%0.192CC..THydrogen-bonded Turntrans51.430.3178.3-58.8-72.4000115.6W24 G51 L52 E54 Q325 W328 I339W24-F32 HydrophobicContact CH2-CD1 4.45Å; W24-F32 HydrophobicContact CZ3-CD1 4.22Å; F32-G51 VanDerWaalsContact O-CA 3.32Å; F32-G51 WeakPolarHBondContact O-CA 3.49Å; F32-L52 HydrophobicContact CB-CB 3.57Å; F32-L52 HydrophobicContact CB-CD2 4.48Å; F32-L52 HydrophobicContact CD1-CD2 4.35Å; F32-L52 HydrophobicContact CD2-CD2 4.3Å; F32-L52 HydrophobicContact CG-CB 4.14Å; F32-L52 HydrophobicContact CG-CD2 4.15Å; F32-L52 PolarHBondContact O-N 3.5Å; F32-L52 VanDerWaalsContact O-N 3.13Å; F32-E54 HydrophobicContact CD2-CG 4.08Å; F32-E54 HydrophobicContact CE2-CG 4.05Å; F32-Q325 HydrophobicContact CE1-CG 4.17Å; F32-Q325 HydrophobicContact CZ-CG 4.23Å; F32-W328 AromaticContact CE1-CD1 3.88Å; F32-W328 AromaticContact CE1-CD2 3.93Å; F32-W328 HydrophobicContact CE1-CD2 3.93Å; F32-W328 AromaticContact CE1-CE2 3.82Å; F32-W328 AromaticContact CE1-CG 3.95Å; F32-W328 HydrophobicContact CE1-CG 3.95Å; F32-W328 HydrophobicContact CE1-CZ2 4.5Å; F32-W328 AromaticContact CE1-NE1 3.75Å; F32-W328 AromaticContact CZ-NE1 3.86Å; F32-I339 HydrophobicContact CD1-CD1 3.91Å; F32-I339 HydrophobicContact CE1-CD1 4.28Å
33R96.9Very high94.3Very high11 Ų1146.6 Ų46.64%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-96128.6176.9-177.4173.367.1165.84.9110.2S25 K30 R31 I49 V50 W76 D86S25-R33 WeakPolarHBondContact CB-O 3.1Å; S25-R33 PolarHBondContact N-O 2.75Å; S25-R33 PolarHBondContact OG-NE 2.74Å; S25-R33 PolarHBondContact OG-NH2 3.36Å; K30-R33 HydrophobicContact CB-CB 4.37Å; K30-R33 WeakPolarHBondContact O-CB 3.42Å; R31-R33 PolarHBondContact O-N 3.49Å; R31-R33 VanDerWaalsContact O-N 3.1Å; R33-I49 HydrophobicContact CG-CG2 3.85Å; R33-V50 WeakPolarHBondContact CA-O 3.39Å; R33-W76 HydrophobicContact CG-CZ2 4.21Å; R33-D86 IonicContact CZ-OD1 2.91Å; R33-D86 IonicContact CZ-OD2 3.93Å; R33-D86 VanDerWaalsContact CZ-OD2 3.26Å; R33-D86 IonicContact NH1-OD1 2.93Å; R33-D86 IonicContact NH1-OD2 3.24Å; R33-D86 PolarHBondContact NH1-OD2 3.01Å; R33-D86 VanDerWaalsContact NH2-CG 3.3Å; R33-D86 IonicContact NH2-OD1 3.58Å; R33-D86 PolarHBondContact NH2-OD1 2.88Å; R33-D86 IonicContact NH2-OD2 3.38Å; R33-D86 PolarHBondContact NH2-OD2 3.24Å
34L97.9Very high94.1Very high0 Ų049 Ų490%023%0.23CC..EExtended strand (participates in β ladder)trans-124.3152.6173.4-62.596.2000110.7N23 W24 I49 V50 F59 A330 L337 I339N23-L34 WeakPolarHBondContact O-CA 3.08Å; W24-L34 HydrophobicContact CD2-CD1 4.29Å; W24-L34 HydrophobicContact CD2-CD2 3.77Å; W24-L34 HydrophobicContact CD2-CG 3.84Å; W24-L34 HydrophobicContact CE3-CD1 3.65Å; W24-L34 HydrophobicContact CE3-CD2 4.01Å; W24-L34 HydrophobicContact CE3-CG 3.6Å; W24-L34 HydrophobicContact CG-CD2 4.28Å; W24-L34 HydrophobicContact CG-CG 4.47Å; W24-L34 HydrophobicContact CH2-CD1 3.89Å; W24-L34 HydrophobicContact CH2-CD2 4.38Å; W24-L34 HydrophobicContact CH2-CG 4.44Å; W24-L34 HydrophobicContact CZ2-CD1 4.47Å; W24-L34 HydrophobicContact CZ2-CD2 4.14Å; W24-L34 HydrophobicContact CZ3-CD1 3.42Å; W24-L34 VanDerWaalsContact CZ3-CD1 3.42Å; W24-L34 HydrophobicContact CZ3-CD2 4.29Å; W24-L34 HydrophobicContact CZ3-CG 3.91Å; L34-I49 WeakPolarHBondContact O-CA 3.4Å; L34-V50 HydrophobicContact CB-CG2 4.03Å; L34-V50 PolarHBondContact N-O 2.94Å; L34-V50 PolarHBondContact O-N 2.93Å; L34-F59 HydrophobicContact CD1-CE1 4.01Å; L34-F59 HydrophobicContact CD1-CZ 4.37Å; L34-A330 HydrophobicContact CD2-CB 3.76Å; L34-L337 HydrophobicContact CD1-CD2 4.13Å; L34-L337 HydrophobicContact CD2-CD1 4.01Å; L34-L337 HydrophobicContact CD2-CD2 4.22Å; L34-I339 HydrophobicContact CD1-CG2 4.43Å
35A98.4Very high94.1Very high0 Ų048.7 Ų48.70%023%0.229CC..EExtended strand (participates in β ladder)trans-104.1137.9161.600000108.5M22 N23 Q48 I74 W76 L88M22-A35 CarbonylContact C-O 3.42Å; M22-A35 WeakPolarHBondContact CA-O 3.43Å; N23-A35 PolarHBondContact N-O 3.38Å; N23-A35 PolarHBondContact O-N 3.1Å; A35-Q48 CarbonylContact C-O 3.57Å; A35-Q48 WeakPolarHBondContact CA-O 3.35Å; A35-I74 HydrophobicContact CB-CG2 3.78Å; A35-W76 HydrophobicContact CB-CZ2 4.09Å; A35-L88 HydrophobicContact CB-CD1 3.78Å; A35-L88 HydrophobicContact CB-CD2 4Å
36L98.5Very high94.2Very high1 Ų151.5 Ų51.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-123134179.7-56.1-179.7000109Y13 V19 A21 M22 V47 Q48 V50 L337Y13-L36 HydrophobicContact CD1-CD1 3.74Å; Y13-L36 HydrophobicContact CE1-CD1 3.94Å; V19-L36 HydrophobicContact CG1-CD2 4.23Å; A21-L36 CarbonylContact O-C 3.57Å; A21-L36 WeakPolarHBondContact O-CA 3.33Å; M22-L36 HydrophobicContact CB-CD2 3.58Å; L36-V47 CarbonylContact O-C 3.54Å; L36-V47 VanDerWaalsContact O-CA 3.28Å; L36-V47 WeakPolarHBondContact O-CA 3.25Å; L36-Q48 PolarHBondContact N-O 2.73Å; L36-Q48 PolarHBondContact O-N 3.36Å; L36-V50 HydrophobicContact CD1-CG1 4.13Å; L36-V50 HydrophobicContact CD1-CG2 3.98Å; L36-V50 HydrophobicContact CG-CG2 4.19Å; L36-L337 HydrophobicContact CD1-CB 4.25Å; L36-L337 HydrophobicContact CD1-CD2 4.17Å; L36-L337 HydrophobicContact CD2-CB 4.46Å; L36-L337 HydrophobicContact CD2-CD1 4.23Å; L36-L337 HydrophobicContact CD2-CD2 4.12Å; L36-L337 HydrophobicContact CD2-CG 4.49Å
37G98.3Very high94.4Very high1 Ų150.5 Ų50.51%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-108.2139.517400000110.3Y20 A21 T71 I74Y20-G37 PolarHBondContact N-O 2.73Å; A21-G37 PolarHBondContact N-O 3.2Å; A21-G37 PolarHBondContact O-N 3.48Å; G37-T71 WeakPolarHBondContact CA-OG1 3.34Å; G37-I74 VanDerWaalsContact CA-CD1 3.5Å; G37-I74 VanDerWaalsContact N-CD1 3.34Å
38S97.7Very high94.7Very high1 Ų148.4 Ų48.41%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-81.4158.2179.669.10000113.8T18 N45 K46 P70T18-S38 CarbonylContact O-C 3.6Å; T18-S38 WeakPolarHBondContact O-CA 3.4Å; S38-N45 PolarHBondContact O-OD1 3.09Å; S38-N45 VanDerWaalsContact O-OD1 3.07Å; S38-N45 VanDerWaalsContact OG-CA 3.3Å; S38-N45 WeakPolarHBondContact OG-CA 3.32Å; S38-N45 VanDerWaalsContact OG-CB 3.28Å; S38-N45 WeakPolarHBondContact OG-CB 3.38Å; S38-N45 PolarHBondContact OG-OD1 3.38Å; S38-K46 PolarHBondContact N-O 3.46Å; S38-K46 PolarHBondContact OG-N 3.28Å; S38-K46 PolarHBondContact OG-O 2.79Å; S38-P70 WeakPolarHBondContact O-CA 3.47Å
39F96.5Very high95.3Very high88 Ų8845 Ų4539%0.38621%0.205SC..EExtended strand (participates in β ladder)trans-111107.2153.1-167.8-91.9000109.3T18 Y20 E41 P70T18-F39 HydrophobicContact CG2-CB 4.24Å; T18-F39 PolarHBondContact O-N 2.83Å; Y20-F39 HydrophobicContact CD2-CB 4.32Å; Y20-F39 AromaticContact CD2-CD2 3.81Å; Y20-F39 HydrophobicContact CD2-CD2 3.81Å; Y20-F39 HydrophobicContact CD2-CG 4.47Å; Y20-F39 HydrophobicContact CE2-CD2 4.07Å; Y20-F39 HydrophobicContact CG-CB 4.25Å; Y20-F39 HydrophobicContact CG-CD2 4.12Å; F39-E41 HydrophobicContact CE1-CG 4.19Å; F39-P70 HydrophobicContact CD2-CB 3.89Å; F39-P70 HydrophobicContact CD2-CG 3.77Å; F39-P70 HydrophobicContact CE2-CB 4.46Å; F39-P70 HydrophobicContact CE2-CG 4.06Å; F39-P70 HydrophobicContact CG-CG 4.46Å
40V95.3Very high95.7Very high33 Ų3341 Ų4120%0.218%0.183CC..  trans-126.8133.9167.3-173.50000106.8W17 E42 N44 N45W17-V40 HydrophobicContact CB-CG2 4.24Å; V40-E42 VanDerWaalsContact CG1-OE2 3.26Å; V40-E42 WeakPolarHBondContact CG1-OE2 3.48Å; V40-E42 PolarHBondContact O-N 3.11Å; V40-N44 WeakPolarHBondContact CG1-OD1 3.35Å; V40-N45 PolarHBondContact N-OD1 3.31Å; V40-N45 PolarHBondContact O-ND2 2.71Å; V40-N45 PolarHBondContact O-OD1 3.44Å
41E90.1Very high95.9Very high177 Ų17739.3 Ų39.383%0.82718%0.176SC*.SBendtrans-65.5-29.4-175-66-176.1178.200112.4F39F39-E41 HydrophobicContact CE1-CG 4.19Å
42E90.3Very high96.1Very high119 Ų11934.6 Ų34.656%0.55616%0.159SC*.SBendtrans-82.6168.6178.5-52.8102.8-174.800113.8V40 N44 N45V40-E42 VanDerWaalsContact CG1-OE2 3.26Å; V40-E42 WeakPolarHBondContact CG1-OE2 3.48Å; V40-E42 PolarHBondContact O-N 3.11Å; E42-N44 PolarHBondContact O-N 3.39Å; E42-N44 PolarHBondContact O-OD1 3.16Å; E42-N44 PolarHBondContact OE2-ND2 3.49Å; E42-N45 PolarHBondContact O-ND2 2.91Å
43Y90.6Very high96Very high144 Ų14438.5 Ų38.557%0.56518%0.177SC*.SBendtrans-76.358.4176.5-165.2-93.3000112.1P68 Y69Y43-P68 CarbonylContact C-O 3.52Å; Y43-P68 WeakPolarHBondContact CA-O 3.41Å; Y43-P68 HydrophobicContact CD2-CB 4.3Å; Y43-P68 VanDerWaalsContact CD2-O 3.27Å; Y43-P68 WeakPolarHBondContact CD2-O 3.37Å; Y43-P68 HydrophobicContact CE1-CB 4.13Å; Y43-P68 HydrophobicContact CE1-CG 4.45Å; Y43-P68 HydrophobicContact CE2-CB 3.53Å; Y43-P68 VanDerWaalsContact CZ-CB 3.41Å; Y43-P68 WeakPolarHBondContact OH-CB 3.41Å; Y43-Y69 HydrophobicContact CD2-CD1 4.12Å; Y43-Y69 HydrophobicContact CD2-CD2 4.46Å; Y43-Y69 AromaticContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE2 4Å; Y43-Y69 AromaticContact CD2-CZ 3.54Å; Y43-Y69 HydrophobicContact CE2-CD1 4.48Å; Y43-Y69 HydrophobicContact CE2-CD2 4.03Å; Y43-Y69 AromaticContact CE2-CE1 3.95Å; Y43-Y69 HydrophobicContact CE2-CE1 3.95Å; Y43-Y69 AromaticContact CE2-CE2 3.45Å; Y43-Y69 HydrophobicContact CE2-CE2 3.45Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.45Å; Y43-Y69 AromaticContact CE2-CZ 3.39Å
44N94.6Very high95.6Very high70 Ų7041.7 Ų41.737%0.37419%0.193SC..  trans-15325.9-174.864.2-0.8000112.5V40 E42 K46V40-N44 WeakPolarHBondContact CG1-OD1 3.35Å; E42-N44 PolarHBondContact O-N 3.39Å; E42-N44 PolarHBondContact O-OD1 3.16Å; E42-N44 PolarHBondContact OE2-ND2 3.49Å; N44-K46 WeakPolarHBondContact O-CE 3.22Å
45N97.4Very high95.1Very high1 Ų150.7 Ų50.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-59.1160.6178.9-79.5-90.3000111.3S38 V40 E42 H67 Y69 P70S38-N45 PolarHBondContact O-OD1 3.09Å; S38-N45 VanDerWaalsContact O-OD1 3.07Å; S38-N45 VanDerWaalsContact OG-CA 3.3Å; S38-N45 WeakPolarHBondContact OG-CA 3.32Å; S38-N45 VanDerWaalsContact OG-CB 3.28Å; S38-N45 WeakPolarHBondContact OG-CB 3.38Å; S38-N45 PolarHBondContact OG-OD1 3.38Å; V40-N45 PolarHBondContact N-OD1 3.31Å; V40-N45 PolarHBondContact O-ND2 2.71Å; V40-N45 PolarHBondContact O-OD1 3.44Å; E42-N45 PolarHBondContact O-ND2 2.91Å; N45-H67 CarbonylContact C-O 3.5Å; N45-H67 VanDerWaalsContact C-O 3.29Å; N45-H67 VanDerWaalsContact CA-O 3.31Å; N45-H67 WeakPolarHBondContact CA-O 3.45Å; N45-H67 HydrophobicContact CB-CB 4.47Å; N45-H67 VanDerWaalsContact CB-O 3.24Å; N45-H67 WeakPolarHBondContact CB-O 3.35Å; N45-H67 PolarHBondContact N-O 3.05Å; N45-H67 VanDerWaalsContact N-O 3.07Å; N45-H67 CarbonylContact O-C 3.56Å; N45-H67 PolarHBondContact O-N 3.27Å; N45-Y69 WeakPolarHBondContact CB-O 3.48Å; N45-Y69 VanDerWaalsContact CG-C 3.46Å; N45-P70 VanDerWaalsContact CG-N 3.33Å; N45-P70 VanDerWaalsContact ND2-CD 3.29Å; N45-P70 WeakPolarHBondContact ND2-CD 3.23Å
46K97.6Very high94.8Very high61 Ų6152.9 Ų52.927%0.26525%0.25SS..EExtended strand (participates in β ladder)trans-131.7154.6-179.6-47.3-69.1179.1-166.20110.4W17 S38 N44 T64 F65 D66W17-K46 HydrophobicContact CZ2-CB 4.45Å; S38-K46 PolarHBondContact N-O 3.46Å; S38-K46 PolarHBondContact OG-N 3.28Å; S38-K46 PolarHBondContact OG-O 2.79Å; N44-K46 WeakPolarHBondContact O-CE 3.22Å; K46-T64 HydrophobicContact CB-CG2 3.96Å; K46-T64 HydrophobicContact CD-CG2 4.47Å; K46-T64 HydrophobicContact CG-CG2 4.3Å; K46-F65 VanDerWaalsContact CA-O 3.3Å; K46-F65 WeakPolarHBondContact CA-O 3.48Å; K46-D66 VanDerWaalsContact CD-OD1 3.25Å; K46-D66 WeakPolarHBondContact CD-OD1 3.49Å; K46-D66 WeakPolarHBondContact CE-OD1 3.22Å; K46-D66 VanDerWaalsContact NZ-CG 3.3Å; K46-D66 IonicContact NZ-OD1 3.99Å; K46-D66 PolarHBondContact NZ-OD1 2.72Å; K46-D66 IonicContact NZ-OD2 2.92Å
47V98.3Very high94.4Very high0 Ų054.4 Ų54.40%026%0.261CS..EExtended strand (participates in β ladder)trans-116.4132.8162.21770000108L36 T64 F65 H67 T71 I74 L88 T90L36-V47 CarbonylContact O-C 3.54Å; L36-V47 VanDerWaalsContact O-CA 3.28Å; L36-V47 WeakPolarHBondContact O-CA 3.25Å; V47-T64 WeakPolarHBondContact O-CA 3.46Å; V47-F65 HydrophobicContact CB-CD1 4.31Å; V47-F65 HydrophobicContact CB-CD2 4.22Å; V47-F65 HydrophobicContact CB-CE1 3.71Å; V47-F65 HydrophobicContact CB-CE2 3.61Å; V47-F65 HydrophobicContact CB-CZ 3.34Å; V47-F65 HydrophobicContact CG1-CE1 3.59Å; V47-F65 HydrophobicContact CG1-CE2 4.13Å; V47-F65 HydrophobicContact CG1-CZ 3.34Å; V47-F65 HydrophobicContact CG2-CE2 4.06Å; V47-F65 HydrophobicContact CG2-CZ 4.11Å; V47-F65 PolarHBondContact N-O 2.87Å; V47-F65 WeakPolarHBondContact O-CD1 3.15Å; V47-F65 PolarHBondContact O-N 3.26Å; V47-H67 HydrophobicContact CG2-CB 4.14Å; V47-T71 HydrophobicContact CG2-CG2 3.59Å; V47-I74 HydrophobicContact CG1-CD1 4.04Å; V47-I74 HydrophobicContact CG2-CD1 4.13Å; V47-L88 HydrophobicContact CG1-CD2 4.08Å; V47-T90 HydrophobicContact CG2-CG2 4.28Å
48Q97.7Very high94.2Very high9 Ų960.5 Ų60.54%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-125.6135.2-177.5-173.7168.5-50.700111.4Y13 W17 A35 L36 V50 C61 N63 T64Y13-Q48 VanDerWaalsContact CZ-NE2 3.33Å; Y13-Q48 PolarHBondContact OH-NE2 3.44Å; W17-Q48 HydrophobicContact CH2-CB 3.57Å; W17-Q48 VanDerWaalsContact CH2-CD 3.41Å; W17-Q48 HydrophobicContact CH2-CG 4.07Å; W17-Q48 HydrophobicContact CZ2-CB 3.65Å; W17-Q48 HydrophobicContact CZ2-CG 4.47Å; A35-Q48 CarbonylContact C-O 3.57Å; A35-Q48 WeakPolarHBondContact CA-O 3.35Å; L36-Q48 PolarHBondContact N-O 2.73Å; L36-Q48 PolarHBondContact O-N 3.36Å; Q48-V50 HydrophobicContact CG-CG1 4.1Å; Q48-C61 WeakPolarHBondContact CG-SG 3.45Å; Q48-C61 PolarHBondContact NE2-SG 2.8Å; Q48-N63 CarbonylContact C-O 3.56Å; Q48-N63 WeakPolarHBondContact CA-O 3.49Å; Q48-N63 WeakPolarHBondContact CG-O 3.21Å; Q48-T64 HydrophobicContact CB-CG2 4.43Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.34Å; Q48-T64 PolarHBondContact OE1-OG1 3.3Å; Q48-T64 VanDerWaalsContact OE1-OG1 3.1Å
49I97.9Very high94.1Very high3 Ų361.5 Ų61.52%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-101.6118.7177.1-55.3177.1000107.5R33 L34 R62 N63 F65 W76 V100R33-I49 HydrophobicContact CG-CG2 3.85Å; L34-I49 WeakPolarHBondContact O-CA 3.4Å; I49-R62 PolarHBondContact O-N 2.81Å; I49-N63 HydrophobicContact CB-CB 4.26Å; I49-N63 HydrophobicContact CD1-CB 4.28Å; I49-N63 HydrophobicContact CG1-CB 4.49Å; I49-N63 PolarHBondContact N-O 2.93Å; I49-N63 PolarHBondContact O-N 3.49Å; I49-F65 HydrophobicContact CD1-CE1 4.49Å; I49-W76 HydrophobicContact CD1-CH2 3.98Å; I49-W76 HydrophobicContact CD1-CZ2 4.38Å; I49-W76 HydrophobicContact CG1-CZ2 4.44Å; I49-W76 HydrophobicContact CG2-CH2 4.26Å; I49-W76 HydrophobicContact CG2-CZ2 4.09Å; I49-V100 HydrophobicContact CD1-CB 4.27Å; I49-V100 HydrophobicContact CD1-CG1 3.52Å; I49-V100 HydrophobicContact CD1-CG2 3.68Å
50V97.4Very high94.1Very high0 Ų060.7 Ų60.70%029%0.292CS..EExtended strand (participates in β ladder)trans-115.3152.8178.8-59.90000110.2Y13 R33 L34 L36 Q48 F59 I60 L337Y13-V50 HydrophobicContact CD1-CG1 3.96Å; Y13-V50 HydrophobicContact CD2-CG1 4.48Å; Y13-V50 HydrophobicContact CE1-CG1 3.67Å; Y13-V50 HydrophobicContact CE2-CG1 4.24Å; Y13-V50 HydrophobicContact CG-CG1 4.38Å; R33-V50 WeakPolarHBondContact CA-O 3.39Å; L34-V50 HydrophobicContact CB-CG2 4.03Å; L34-V50 PolarHBondContact N-O 2.94Å; L34-V50 PolarHBondContact O-N 2.93Å; L36-V50 HydrophobicContact CD1-CG1 4.13Å; L36-V50 HydrophobicContact CD1-CG2 3.98Å; L36-V50 HydrophobicContact CG-CG2 4.19Å; Q48-V50 HydrophobicContact CG-CG1 4.1Å; V50-F59 HydrophobicContact CB-CD1 4.38Å; V50-F59 HydrophobicContact CG2-CD1 4.28Å; V50-F59 HydrophobicContact CG2-CE1 4.47Å; V50-I60 WeakPolarHBondContact CA-O 3.35Å; V50-L337 HydrophobicContact CG2-CD2 4Å
51G96.1Very high94.1Very high0 Ų061.7 Ų61.70%030%0.3CS..EExtended strand (participates in β ladder)trans-143.7138.7173.100000111.5F32 E53 I60F32-G51 VanDerWaalsContact O-CA 3.32Å; F32-G51 WeakPolarHBondContact O-CA 3.49Å; G51-E53 PolarHBondContact O-N 2.91Å; G51-I60 PolarHBondContact N-O 2.96Å; G51-I60 PolarHBondContact O-N 3.39Å
52L95.6Very high94.3Very high6 Ų659.1 Ų59.13%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-74124.2171.5-176.171.3000109.3Y11 F32 F59 I339Y11-L52 HydrophobicContact CD1-CD1 3.49Å; Y11-L52 VanDerWaalsContact CD1-CD1 3.49Å; Y11-L52 HydrophobicContact CD1-CD2 3.98Å; Y11-L52 HydrophobicContact CD1-CG 4.38Å; Y11-L52 HydrophobicContact CD2-CD2 3.87Å; Y11-L52 HydrophobicContact CE1-CD1 3.98Å; Y11-L52 HydrophobicContact CE1-CD2 3.96Å; Y11-L52 HydrophobicContact CE2-CD2 3.87Å; Y11-L52 HydrophobicContact CG-CD1 3.86Å; Y11-L52 HydrophobicContact CG-CD2 3.93Å; F32-L52 HydrophobicContact CB-CB 3.57Å; F32-L52 HydrophobicContact CB-CD2 4.48Å; F32-L52 HydrophobicContact CD1-CD2 4.35Å; F32-L52 HydrophobicContact CD2-CD2 4.3Å; F32-L52 HydrophobicContact CG-CB 4.14Å; F32-L52 HydrophobicContact CG-CD2 4.15Å; F32-L52 PolarHBondContact O-N 3.5Å; F32-L52 VanDerWaalsContact O-N 3.13Å; L52-F59 HydrophobicContact CB-CD1 4.06Å; L52-F59 HydrophobicContact CB-CE1 3.83Å; L52-F59 HydrophobicContact CB-CZ 4.11Å; L52-F59 HydrophobicContact CD1-CD2 3.97Å; L52-F59 HydrophobicContact CD1-CE2 4.13Å; L52-F59 HydrophobicContact CD1-CG 4.25Å; L52-I339 HydrophobicContact CD2-CD1 4.26Å
53E93.4Very high94.5Very high84 Ų8454.8 Ų54.839%0.39326%0.263SS..EExtended strand (participates in β ladder)trans-87.3111.5167.3-177.1173.5-11300108.7G51 E55 S56 S57 E58 I60G51-E53 PolarHBondContact O-N 2.91Å; E53-E55 VanDerWaalsContact C-N 3.26Å; E53-E55 PolarHBondContact O-N 3.05Å; E53-S56 WeakPolarHBondContact CB-OG 3.41Å; E53-S56 WeakPolarHBondContact CG-OG 3.28Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 3.13Å; E53-S56 WeakPolarHBondContact OE2-CB 3.49Å; E53-S56 PolarHBondContact OE2-OG 2.79Å; E53-S57 WeakPolarHBondContact O-CA 3.48Å; E53-S57 PolarHBondContact O-N 3.36Å; E53-E58 PolarHBondContact N-O 2.96Å; E53-I60 HydrophobicContact CB-CD1 3.8Å; E53-I60 HydrophobicContact CB-CG1 4.42Å; E53-I60 HydrophobicContact CG-CD1 4.38Å; E53-I60 WeakPolarHBondContact OE2-CD1 3.08Å
54E87.8Confident94.8Very high78 Ų7850.9 Ų50.936%0.36426%0.255SS..THydrogen-bonded Turntrans-66-28.8-172.5-72.8-179.1-98.400112.7R7 R31 F32R7-E54 IonicContact CZ-OE2 3.83Å; R7-E54 IonicContact NH2-OE2 2.76Å; R7-E54 PolarHBondContact NH2-OE2 2.94Å; R31-E54 IonicContact CZ-OE1 3.61Å; R31-E54 IonicContact CZ-OE2 3.78Å; R31-E54 IonicContact NH1-OE1 2.71Å; R31-E54 PolarHBondContact NH1-OE1 3.07Å; R31-E54 IonicContact NH1-OE2 2.94Å; R31-E54 PolarHBondContact NH1-OE2 3.28Å; R31-E54 IonicContact NH2-OE2 3.87Å; F32-E54 HydrophobicContact CD2-CG 4.08Å; F32-E54 HydrophobicContact CE2-CG 4.05Å
55E88.7Confident94.9Very high188 Ų18848.4 Ų48.488%0.87924%0.241SC*.THydrogen-bonded Turntrans-70-46.6179.7-64.4-175.4-178.100112.2E53E53-E55 VanDerWaalsContact C-N 3.26Å; E53-E55 PolarHBondContact O-N 3.05Å
56S90.9Very high94.9Very high47 Ų4753.5 Ų53.533%0.32927%0.268SS..THydrogen-bonded Turntrans-84.8-16.8177.855.30000112.7E53 E58E53-S56 WeakPolarHBondContact CB-OG 3.41Å; E53-S56 WeakPolarHBondContact CG-OG 3.28Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 3.13Å; E53-S56 WeakPolarHBondContact OE2-CB 3.49Å; E53-S56 PolarHBondContact OE2-OG 2.79Å; S56-E58 PolarHBondContact O-N 2.84Å
57S91.3Very high94.9Very high33 Ų3350.8 Ų50.823%0.23126%0.256CS..THydrogen-bonded Turntrans58.134.4-174-74.40000112.8E53E53-S57 WeakPolarHBondContact O-CA 3.48Å; E53-S57 PolarHBondContact O-N 3.36Å
58E93.6Very high94.6Very high128 Ų12851.9 Ų51.960%0.59826%0.263SS*.EExtended strand (participates in β ladder)trans-128.9146.5-178.8-69.8-176.1174.500111.1E53 S56E53-E58 PolarHBondContact N-O 2.96Å; S56-E58 PolarHBondContact O-N 2.84Å
59F95.8Very high94.5Very high22 Ų2256.7 Ų56.710%0.09628%0.282CS..EExtended strand (participates in β ladder)trans-83.4135173-87.9-79.5000110.6Y13 L34 V50 L52 L337 I339Y13-F59 HydrophobicContact CD2-CB 3.52Å; Y13-F59 HydrophobicContact CD2-CG 4.42Å; Y13-F59 HydrophobicContact CG-CB 3.96Å; Y13-F59 HydrophobicContact CG-CG 4.4Å; L34-F59 HydrophobicContact CD1-CE1 4.01Å; L34-F59 HydrophobicContact CD1-CZ 4.37Å; V50-F59 HydrophobicContact CB-CD1 4.38Å; V50-F59 HydrophobicContact CG2-CD1 4.28Å; V50-F59 HydrophobicContact CG2-CE1 4.47Å; L52-F59 HydrophobicContact CB-CD1 4.06Å; L52-F59 HydrophobicContact CB-CE1 3.83Å; L52-F59 HydrophobicContact CB-CZ 4.11Å; L52-F59 HydrophobicContact CD1-CD2 3.97Å; L52-F59 HydrophobicContact CD1-CE2 4.13Å; L52-F59 HydrophobicContact CD1-CG 4.25Å; F59-L337 HydrophobicContact CE1-CD2 4.36Å; F59-L337 HydrophobicContact CZ-CD2 4.29Å; F59-I339 HydrophobicContact CE2-CD1 4.15Å; F59-I339 HydrophobicContact CE2-CG1 3.96Å; F59-I339 HydrophobicContact CZ-CD1 3.7Å; F59-I339 HydrophobicContact CZ-CG1 3.85Å; F59-I339 HydrophobicContact CZ-CG2 3.96Å
60I95.4Very high94.4Very high71 Ų7157.7 Ų57.736%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-117.1132.7178.6-57176.1000109V50 G51 E53 R62V50-I60 WeakPolarHBondContact CA-O 3.35Å; G51-I60 PolarHBondContact N-O 2.96Å; G51-I60 PolarHBondContact O-N 3.39Å; E53-I60 HydrophobicContact CB-CD1 3.8Å; E53-I60 HydrophobicContact CB-CG1 4.42Å; E53-I60 HydrophobicContact CG-CD1 4.38Å; E53-I60 WeakPolarHBondContact OE2-CD1 3.08Å; I60-R62 PolarHBondContact O-N 2.62Å
61C95.6Very high94.4Very high54 Ų5457.8 Ų57.837%0.36529%0.289SS..EExtended strand (participates in β ladder)trans-70118.6165.9176.80000109.5Q48 T64Q48-C61 WeakPolarHBondContact CG-SG 3.45Å; Q48-C61 PolarHBondContact NE2-SG 2.8Å; C61-T64 PolarHBondContact SG-OG1 2.85Å; C61-T64 VanDerWaalsContact SG-OG1 3.42Å
62R94.4Very high94.3Very high123 Ų12359.5 Ų59.546%0.46430%0.3SS..EExtended strand (participates in β ladder)trans-94.9-35.2-179.6-62.4-169.5175.8-1651.2112.5I49 I60I49-R62 PolarHBondContact O-N 2.81Å; I60-R62 PolarHBondContact O-N 2.62Å
63N95.2Very high94.5Very high28 Ų2861.3 Ų61.315%0.1531%0.307CS..EExtended strand (participates in β ladder)trans-160.2142.9-176.7-161.8-31.6000110.2Q48 I49 E104 T105Q48-N63 CarbonylContact C-O 3.56Å; Q48-N63 WeakPolarHBondContact CA-O 3.49Å; Q48-N63 WeakPolarHBondContact CG-O 3.21Å; I49-N63 HydrophobicContact CB-CB 4.26Å; I49-N63 HydrophobicContact CD1-CB 4.28Å; I49-N63 HydrophobicContact CG1-CB 4.49Å; I49-N63 PolarHBondContact N-O 2.93Å; I49-N63 PolarHBondContact O-N 3.49Å; N63-E104 VanDerWaalsContact ND2-C 3.33Å; N63-T105 PolarHBondContact ND2-N 2.78Å; N63-T105 VanDerWaalsContact ND2-N 3.16Å; N63-T105 PolarHBondContact ND2-OG1 3.34Å
64T96.7Very high94.7Very high63 Ų6357.5 Ų57.539%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-135.2134.2173.5-56.10000108.6K46 V47 Q48 C61K46-T64 HydrophobicContact CB-CG2 3.96Å; K46-T64 HydrophobicContact CD-CG2 4.47Å; K46-T64 HydrophobicContact CG-CG2 4.3Å; V47-T64 WeakPolarHBondContact O-CA 3.46Å; Q48-T64 HydrophobicContact CB-CG2 4.43Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.34Å; Q48-T64 PolarHBondContact OE1-OG1 3.3Å; Q48-T64 VanDerWaalsContact OE1-OG1 3.1Å; C61-T64 PolarHBondContact SG-OG1 2.85Å; C61-T64 VanDerWaalsContact SG-OG1 3.42Å
65F96.9Very high95.2Very high17 Ų1755 Ų558%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-139.6160.7177.661.4-86.9000111.7K46 V47 I49 L88 W98 T105K46-F65 VanDerWaalsContact CA-O 3.3Å; K46-F65 WeakPolarHBondContact CA-O 3.48Å; V47-F65 HydrophobicContact CB-CD1 4.31Å; V47-F65 HydrophobicContact CB-CD2 4.22Å; V47-F65 HydrophobicContact CB-CE1 3.71Å; V47-F65 HydrophobicContact CB-CE2 3.61Å; V47-F65 HydrophobicContact CB-CZ 3.34Å; V47-F65 HydrophobicContact CG1-CE1 3.59Å; V47-F65 HydrophobicContact CG1-CE2 4.13Å; V47-F65 HydrophobicContact CG1-CZ 3.34Å; V47-F65 HydrophobicContact CG2-CE2 4.06Å; V47-F65 HydrophobicContact CG2-CZ 4.11Å; V47-F65 PolarHBondContact N-O 2.87Å; V47-F65 WeakPolarHBondContact O-CD1 3.15Å; V47-F65 PolarHBondContact O-N 3.26Å; I49-F65 HydrophobicContact CD1-CE1 4.49Å; F65-L88 HydrophobicContact CE1-CD2 4.28Å; F65-L88 HydrophobicContact CZ-CD2 3.95Å; F65-W98 HydrophobicContact CD2-CD2 4.17Å; F65-W98 AromaticContact CD2-CE3 3.87Å; F65-W98 HydrophobicContact CD2-CE3 3.87Å; F65-W98 AromaticContact CD2-CH2 3.87Å; F65-W98 HydrophobicContact CD2-CH2 3.87Å; F65-W98 HydrophobicContact CD2-CZ2 4.16Å; F65-W98 AromaticContact CD2-CZ3 3.72Å; F65-W98 HydrophobicContact CD2-CZ3 3.72Å; F65-W98 AromaticContact CE2-CD2 3.53Å; F65-W98 HydrophobicContact CE2-CD2 3.53Å; F65-W98 AromaticContact CE2-CE2 3.54Å; F65-W98 AromaticContact CE2-CE3 3.73Å; F65-W98 HydrophobicContact CE2-CE3 3.73Å; F65-W98 HydrophobicContact CE2-CG 4.07Å; F65-W98 AromaticContact CE2-CH2 3.94Å; F65-W98 HydrophobicContact CE2-CH2 3.94Å; F65-W98 AromaticContact CE2-CZ2 3.76Å; F65-W98 HydrophobicContact CE2-CZ2 3.76Å; F65-W98 AromaticContact CE2-CZ3 3.92Å; F65-W98 HydrophobicContact CE2-CZ3 3.92Å; F65-W98 HydrophobicContact CZ-CD2 4.11Å; F65-W98 HydrophobicContact CZ-CE3 4.49Å; F65-W98 HydrophobicContact CZ-CG 4.19Å; F65-T105 HydrophobicContact CD1-CG2 3.69Å; F65-T105 HydrophobicContact CE1-CG2 3.61Å; F65-T105 HydrophobicContact CE2-CG2 4.47Å; F65-T105 HydrophobicContact CG-CG2 4.17Å; F65-T105 HydrophobicContact CZ-CG2 3.99Å
66D96.9Very high95.6Very high109 Ų10946.2 Ų46.258%0.58324%0.237SC*.EExtended strand (participates in β ladder)trans-79.9140.6-173.1-64.2-9.6000111.8K46K46-D66 VanDerWaalsContact CD-OD1 3.25Å; K46-D66 WeakPolarHBondContact CD-OD1 3.49Å; K46-D66 WeakPolarHBondContact CE-OD1 3.22Å; K46-D66 VanDerWaalsContact NZ-CG 3.3Å; K46-D66 IonicContact NZ-OD1 3.99Å; K46-D66 PolarHBondContact NZ-OD1 2.72Å; K46-D66 IonicContact NZ-OD2 2.92Å
67H96.9Very high95.9Very high3 Ų344.2 Ų44.21%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-133.6131.1173.8-161.4-86.7000109.7N45 V47 Y69 T90 W98N45-H67 CarbonylContact C-O 3.5Å; N45-H67 VanDerWaalsContact C-O 3.29Å; N45-H67 VanDerWaalsContact CA-O 3.31Å; N45-H67 WeakPolarHBondContact CA-O 3.45Å; N45-H67 HydrophobicContact CB-CB 4.47Å; N45-H67 VanDerWaalsContact CB-O 3.24Å; N45-H67 WeakPolarHBondContact CB-O 3.35Å; N45-H67 PolarHBondContact N-O 3.05Å; N45-H67 VanDerWaalsContact N-O 3.07Å; N45-H67 CarbonylContact O-C 3.56Å; N45-H67 PolarHBondContact O-N 3.27Å; V47-H67 HydrophobicContact CG2-CB 4.14Å; H67-Y69 PolarHBondContact ND1-O 2.77Å; H67-Y69 PolarHBondContact O-N 2.82Å; H67-T90 PolarHBondContact CD2-OG1 2.84Å; H67-T90 PolarHBondContact NE2-OG1 2.76Å; H67-W98 AromaticContact CD2-CZ2 3.92Å
68P93.3Very high96.1Very high23 Ų2343.8 Ų43.815%0.14922%0.219CC..SBendtrans-48.7-49.4179.9-41.946.3000116.7Y43Y43-P68 CarbonylContact C-O 3.52Å; Y43-P68 WeakPolarHBondContact CA-O 3.41Å; Y43-P68 HydrophobicContact CD2-CB 4.3Å; Y43-P68 VanDerWaalsContact CD2-O 3.27Å; Y43-P68 WeakPolarHBondContact CD2-O 3.37Å; Y43-P68 HydrophobicContact CE1-CB 4.13Å; Y43-P68 HydrophobicContact CE1-CG 4.45Å; Y43-P68 HydrophobicContact CE2-CB 3.53Å; Y43-P68 VanDerWaalsContact CZ-CB 3.41Å; Y43-P68 WeakPolarHBondContact OH-CB 3.41Å
69Y94.4Very high96Very high110 Ų11038.1 Ų38.143%0.43119%0.193SC..SBendtrans-130.3168.8-173.5-66.3-71.5000110.4Y43 N45 H67 T71 D93Y43-Y69 HydrophobicContact CD2-CD1 4.12Å; Y43-Y69 HydrophobicContact CD2-CD2 4.46Å; Y43-Y69 AromaticContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE1 3.61Å; Y43-Y69 HydrophobicContact CD2-CE2 4Å; Y43-Y69 AromaticContact CD2-CZ 3.54Å; Y43-Y69 HydrophobicContact CE2-CD1 4.48Å; Y43-Y69 HydrophobicContact CE2-CD2 4.03Å; Y43-Y69 AromaticContact CE2-CE1 3.95Å; Y43-Y69 HydrophobicContact CE2-CE1 3.95Å; Y43-Y69 AromaticContact CE2-CE2 3.45Å; Y43-Y69 HydrophobicContact CE2-CE2 3.45Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.45Å; Y43-Y69 AromaticContact CE2-CZ 3.39Å; N45-Y69 WeakPolarHBondContact CB-O 3.48Å; N45-Y69 VanDerWaalsContact CG-C 3.46Å; H67-Y69 PolarHBondContact ND1-O 2.77Å; H67-Y69 PolarHBondContact O-N 2.82Å; Y69-T71 PolarHBondContact O-N 2.77Å; Y69-D93 HydrophobicContact CD2-CB 3.89Å; Y69-D93 HydrophobicContact CE2-CB 3.9Å
70P96.3Very high95.6Very high25 Ų2540.7 Ų40.716%0.16221%0.214CC..  trans-54.7133.7168.8-24.135.3000109.9Y20 S38 F39 N45 T72Y20-P70 HydrophobicContact CD1-CB 3.62Å; Y20-P70 HydrophobicContact CE1-CB 3.82Å; Y20-P70 HydrophobicContact CG-CB 4.32Å; S38-P70 WeakPolarHBondContact O-CA 3.47Å; F39-P70 HydrophobicContact CD2-CB 3.89Å; F39-P70 HydrophobicContact CD2-CG 3.77Å; F39-P70 HydrophobicContact CE2-CB 4.46Å; F39-P70 HydrophobicContact CE2-CG 4.06Å; F39-P70 HydrophobicContact CG-CG 4.46Å; N45-P70 VanDerWaalsContact CG-N 3.33Å; N45-P70 VanDerWaalsContact ND2-CD 3.29Å; N45-P70 WeakPolarHBondContact ND2-CD 3.23Å; P70-T72 PolarHBondContact O-N 2.78Å
71T96.1Very high95.3Very high1 Ų145.7 Ų45.71%0.00623%0.233CC..  trans-73.2111.6-179.750.80000109.6Y20 A21 G37 V47 Y69 K73 I74 T90 S91Y20-T71 WeakPolarHBondContact CD1-O 3.24Å; Y20-T71 WeakPolarHBondContact CE1-O 3.42Å; A21-T71 VanDerWaalsContact CB-O 3.32Å; A21-T71 WeakPolarHBondContact CB-O 3.46Å; G37-T71 WeakPolarHBondContact CA-OG1 3.34Å; V47-T71 HydrophobicContact CG2-CG2 3.59Å; Y69-T71 PolarHBondContact O-N 2.77Å; T71-K73 PolarHBondContact O-N 2.9Å; T71-I74 HydrophobicContact CG2-CD1 4.11Å; T71-I74 HydrophobicContact CG2-CG1 4.05Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.28Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.47Å; T71-T90 HydrophobicContact CG2-CG2 4.26Å; T71-S91 CarbonylContact C-O 3.52Å; T71-S91 WeakPolarHBondContact CA-O 2.94Å
72T96.1Very high94.9Very high36 Ų3644.6 Ų44.622%0.22123%0.231CC..SBendtrans-62.1-27.4179.851.90000112.3P70 S91 L123P70-T72 PolarHBondContact O-N 2.78Å; T72-S91 PolarHBondContact N-O 2.77Å; T72-S91 WeakPolarHBondContact OG1-CB 3.41Å; T72-S91 PolarHBondContact OG1-OG 2.98Å; T72-L123 WeakPolarHBondContact CB-O 3.38Å; T72-L123 WeakPolarHBondContact CG2-O 3.2Å; T72-L123 PolarHBondContact OG1-O 2.93Å
73K97.8Very high94.6Very high45 Ų4543.1 Ų43.120%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-155.7157.1169-162.5157.4173-1720110.1T71 M75 S91 S125 F126 D179T71-K73 PolarHBondContact O-N 2.9Å; K73-M75 HydrophobicContact CG-CG 4.42Å; K73-S91 PolarHBondContact N-OG 2.85Å; K73-S91 PolarHBondContact O-N 3.11Å; K73-S91 VanDerWaalsContact O-N 3.08Å; K73-S91 PolarHBondContact O-OG 3.43Å; K73-S125 WeakPolarHBondContact CD-OG 3.35Å; K73-S125 PolarHBondContact NZ-OG 2.86Å; K73-F126 HydrophobicContact CB-CD1 3.79Å; K73-F126 HydrophobicContact CB-CE1 3.79Å; K73-F126 WeakPolarHBondContact CD-O 3.5Å; K73-F126 WeakPolarHBondContact CE-O 3.39Å; K73-F126 HydrophobicContact CG-CD1 4.27Å; K73-F126 HydrophobicContact CG-CE1 4.13Å; K73-F126 PolarHBondContact NZ-O 3.1Å; K73-F126 WeakPolarHBondContact O-CE1 3.2Å; K73-D179 IonicContact NZ-OD1 2.72Å; K73-D179 PolarHBondContact NZ-OD1 2.84Å
74I98.4Very high94.3Very high3 Ų343.4 Ų43.42%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-134.8136.6174.3-62.7-178.8000107.3A21 N23 A35 G37 V47 T71 L88 A89 T90A21-I74 HydrophobicContact CB-CB 4.49Å; A21-I74 HydrophobicContact CB-CD1 4.16Å; A21-I74 HydrophobicContact CB-CG1 3.96Å; N23-I74 WeakPolarHBondContact CB-O 3.37Å; A35-I74 HydrophobicContact CB-CG2 3.78Å; G37-I74 VanDerWaalsContact CA-CD1 3.5Å; G37-I74 VanDerWaalsContact N-CD1 3.34Å; V47-I74 HydrophobicContact CG1-CD1 4.04Å; V47-I74 HydrophobicContact CG2-CD1 4.13Å; T71-I74 HydrophobicContact CG2-CD1 4.11Å; T71-I74 HydrophobicContact CG2-CG1 4.05Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.28Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.47Å; I74-L88 HydrophobicContact CG2-CD1 3.62Å; I74-L88 HydrophobicContact CG2-CD2 4.47Å; I74-L88 HydrophobicContact CG2-CG 4.2Å; I74-A89 WeakPolarHBondContact CA-O 3.46Å; I74-T90 HydrophobicContact CG1-CG2 4.08Å; I74-T90 HydrophobicContact CG2-CG2 4.43Å
75M98.4Very high93.9Very high26 Ų2641.7 Ų41.713%0.12822%0.224CC..EExtended strand (participates in β ladder)trans-146.1136.1173.9-64.2-179.674.200111.1N23 K73 A89 F126 D127 W128N23-M75 WeakPolarHBondContact OD1-CA 3.4Å; K73-M75 HydrophobicContact CG-CG 4.42Å; M75-A89 PolarHBondContact N-O 3.4Å; M75-A89 PolarHBondContact O-N 2.78Å; M75-F126 HydrophobicContact CB-CE2 3.83Å; M75-F126 HydrophobicContact CB-CZ 3.69Å; M75-F126 HydrophobicContact CG-CE2 3.97Å; M75-F126 HydrophobicContact CG-CZ 3.8Å; M75-F126 HydrophobicContact SD-CD2 4.27Å; M75-F126 HydrophobicContact SD-CE2 3.85Å; M75-F126 HydrophobicContact SD-CZ 4.23Å; M75-D127 WeakPolarHBondContact CE-OD1 3.48Å; M75-W128 HydrophobicContact CE-CB 4.23Å; M75-W128 HydrophobicContact SD-CB 4.48Å
76W97.9Very high93.7Very high4 Ų441.5 Ų41.52%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-72.4151.4165.2-68.288.6000110.1N23 W24 R33 A35 I49 D86 L88 V100N23-W76 PolarHBondContact O-NE1 2.92Å; N23-W76 PolarHBondContact OD1-N 3.29Å; W24-W76 VanDerWaalsContact C-CD1 3.4Å; W24-W76 VanDerWaalsContact O-CD1 3.25Å; R33-W76 HydrophobicContact CG-CZ2 4.21Å; A35-W76 HydrophobicContact CB-CZ2 4.09Å; I49-W76 HydrophobicContact CD1-CH2 3.98Å; I49-W76 HydrophobicContact CD1-CZ2 4.38Å; I49-W76 HydrophobicContact CG1-CZ2 4.44Å; I49-W76 HydrophobicContact CG2-CH2 4.26Å; I49-W76 HydrophobicContact CG2-CZ2 4.09Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.24Å; W76-L88 HydrophobicContact CD2-CD1 3.7Å; W76-L88 HydrophobicContact CE3-CB 4.39Å; W76-L88 HydrophobicContact CE3-CD1 4.17Å; W76-L88 HydrophobicContact CG-CD1 3.91Å; W76-L88 HydrophobicContact CZ2-CD1 4.24Å; W76-L88 HydrophobicContact CZ3-CB 4.48Å; W76-V100 HydrophobicContact CH2-CB 4.2Å; W76-V100 HydrophobicContact CH2-CG1 4.07Å; W76-V100 HydrophobicContact CH2-CG2 3.84Å; W76-V100 HydrophobicContact CZ3-CB 3.99Å; W76-V100 HydrophobicContact CZ3-CG1 4.3Å; W76-V100 HydrophobicContact CZ3-CG2 3.71Å
77I96.3Very high93.7Very high4 Ų436.3 Ų36.32%0.02120%0.197CC..  trans-52.5132.6168.9-174.8169.3000109.6V26 D79 Y84 L87 W128 P133V26-I77 WeakPolarHBondContact CG2-O 3.34Å; I77-D79 HydrophobicContact CG1-CB 4.24Å; I77-D79 HydrophobicContact CG2-CB 4.16Å; I77-D79 PolarHBondContact O-N 2.84Å; I77-Y84 HydrophobicContact CD1-CD1 4.25Å; I77-Y84 HydrophobicContact CD1-CD2 4.26Å; I77-Y84 HydrophobicContact CD1-CG 3.79Å; I77-L87 HydrophobicContact CB-CB 4.1Å; I77-L87 HydrophobicContact CD1-CD1 4.23Å; I77-L87 HydrophobicContact CG2-CB 4.13Å; I77-L87 WeakPolarHBondContact CG2-O 3.32Å; I77-L87 PolarHBondContact N-O 2.91Å; I77-W128 HydrophobicContact CB-CE3 4.42Å; I77-W128 HydrophobicContact CB-CH2 3.76Å; I77-W128 HydrophobicContact CB-CZ2 3.92Å; I77-W128 HydrophobicContact CB-CZ3 3.99Å; I77-W128 HydrophobicContact CD1-CZ2 4.15Å; I77-W128 HydrophobicContact CG1-CH2 4.23Å; I77-W128 HydrophobicContact CG1-CZ2 3.85Å; I77-P133 HydrophobicContact CD1-CB 4.24Å; I77-P133 HydrophobicContact CG1-CB 4.18Å
78P94.8Very high93.7Very high24 Ų2436.2 Ų36.216%0.15620%0.196CC..  trans-75.349.8-177.930.2-35.8000112.6W128 N129 E130 P133P78-W128 VanDerWaalsContact CD-CG 3.47Å; P78-W128 HydrophobicContact CG-CB 4.28Å; P78-W128 HydrophobicContact CG-CG 4.07Å; P78-N129 WeakPolarHBondContact CG-O 3.48Å; P78-E130 HydrophobicContact CB-CB 4.32Å; P78-E130 HydrophobicContact CB-CG 3.95Å; P78-P133 HydrophobicContact CG-CB 4.48Å
79D91.9Very high94Very high9 Ų935.1 Ų35.15%0.04819%0.189CC..  trans-100.885.8-178.6-179.819.3000112I77 K81 G82 V83 Y84I77-D79 HydrophobicContact CG1-CB 4.24Å; I77-D79 HydrophobicContact CG2-CB 4.16Å; I77-D79 PolarHBondContact O-N 2.84Å; D79-K81 PolarHBondContact O-N 2.87Å; D79-K81 PolarHBondContact OD1-N 2.66Å; D79-K81 VanDerWaalsContact OD1-N 3.07Å; D79-G82 VanDerWaalsContact CG-N 3.27Å; D79-G82 PolarHBondContact OD1-N 3.01Å; D79-G82 WeakPolarHBondContact OD2-CA 3.5Å; D79-G82 PolarHBondContact OD2-N 3.25Å; D79-V83 PolarHBondContact OD1-N 2.87Å; D79-V83 PolarHBondContact OD2-N 2.8Å; D79-Y84 HydrophobicContact CB-CD2 3.96Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.18Å; D79-Y84 PolarHBondContact OD2-N 3.35Å
80S88.6Confident94.1Very high77 Ų7729.9 Ų29.954%0.53817%0.168SC..THydrogen-bonded Turntrans-69-12.5175.556.50000114.2P28P28-S80 WeakPolarHBondContact CD-O 3.35Å; P28-S80 WeakPolarHBondContact CG-O 3.46Å
81K88.9Confident94.2Very high175 Ų17528.7 Ų28.776%0.76116%0.161SC*.THydrogen-bonded Turntrans-102.4-12-177.7-65.3-178.7-178.7174.20113.1D79 V83D79-K81 PolarHBondContact O-N 2.87Å; D79-K81 PolarHBondContact OD1-N 2.66Å; D79-K81 VanDerWaalsContact OD1-N 3.07Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.9Å; K81-V83 PolarHBondContact O-N 2.95Å
82G86.7Confident94.1Very high32 Ų3228.9 Ų28.933%0.3316%0.163SC..  trans66.331.2-177.700000113.2D79D79-G82 VanDerWaalsContact CG-N 3.27Å; D79-G82 PolarHBondContact OD1-N 3.01Å; D79-G82 WeakPolarHBondContact OD2-CA 3.5Å; D79-G82 PolarHBondContact OD2-N 3.25Å
83V87.8Confident93.8Very high92 Ų9228.4 Ų28.456%0.55816%0.159SC*.  trans-87.1-19.1179.1-61.20000113.3D79 K81D79-V83 PolarHBondContact OD1-N 2.87Å; D79-V83 PolarHBondContact OD2-N 2.8Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.9Å; K81-V83 PolarHBondContact O-N 2.95Å
84Y88.2Confident93.7Very high33 Ų3328.4 Ų28.413%0.12916%0.158CC..SBendtrans-98.5162.2176.3-66.9-86.4000110.7I77 D79 P133 T152 Q154I77-Y84 HydrophobicContact CD1-CD1 4.25Å; I77-Y84 HydrophobicContact CD1-CD2 4.26Å; I77-Y84 HydrophobicContact CD1-CG 3.79Å; D79-Y84 HydrophobicContact CB-CD2 3.96Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.18Å; D79-Y84 PolarHBondContact OD2-N 3.35Å; Y84-P133 HydrophobicContact CE2-CB 4.11Å; Y84-P133 HydrophobicContact CE2-CG 3.9Å; Y84-T152 WeakPolarHBondContact CD1-OG1 3.46Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.33Å; Y84-Q154 HydrophobicContact CD1-CG 4.48Å; Y84-Q154 HydrophobicContact CE1-CG 3.9Å; Y84-Q154 PolarHBondContact OH-NE2 3.24Å
85P89.7Confident93.6Very high27 Ų2728.3 Ų28.318%0.17516%0.157CC..  trans-53151.2163.2-25.936.5000112.1L87 R99P85-L87 HydrophobicContact CB-CD2 3.97Å; P85-L87 HydrophobicContact CB-CG 4.08Å; P85-L87 PolarHBondContact O-N 2.89Å; P85-R99 VanDerWaalsContact CG-NH1 3.3Å
86D92.8Very high93.5Very high14 Ų1427.9 Ų27.98%0.07515%0.154CC..  trans-72.194.6174.7-152.8-2.6000108.9R27 R33 W76 V100R27-D86 WeakPolarHBondContact CD-OD1 3.45Å; R27-D86 IonicContact CZ-OD2 3.1Å; R27-D86 IonicContact NH1-OD2 2.82Å; R27-D86 PolarHBondContact NH1-OD2 2.78Å; R27-D86 VanDerWaalsContact NH1-OD2 3.09Å; R33-D86 IonicContact CZ-OD1 2.91Å; R33-D86 IonicContact CZ-OD2 3.93Å; R33-D86 VanDerWaalsContact CZ-OD2 3.26Å; R33-D86 IonicContact NH1-OD1 2.93Å; R33-D86 IonicContact NH1-OD2 3.24Å; R33-D86 PolarHBondContact NH1-OD2 3.01Å; R33-D86 VanDerWaalsContact NH2-CG 3.3Å; R33-D86 IonicContact NH2-OD1 3.58Å; R33-D86 PolarHBondContact NH2-OD1 2.88Å; R33-D86 IonicContact NH2-OD2 3.38Å; R33-D86 PolarHBondContact NH2-OD2 3.24Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.24Å; D86-V100 HydrophobicContact CB-CB 4.49Å; D86-V100 WeakPolarHBondContact CB-O 3.4Å; D86-V100 PolarHBondContact O-N 2.8Å
87L95.7Very high93.5Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-107.1143.4-177-57.6180000110.8I77 P85 I97 W98 R99 W128 T152 V162I77-L87 HydrophobicContact CB-CB 4.1Å; I77-L87 HydrophobicContact CD1-CD1 4.23Å; I77-L87 HydrophobicContact CG2-CB 4.13Å; I77-L87 WeakPolarHBondContact CG2-O 3.32Å; I77-L87 PolarHBondContact N-O 2.91Å; P85-L87 HydrophobicContact CB-CD2 3.97Å; P85-L87 HydrophobicContact CB-CG 4.08Å; P85-L87 PolarHBondContact O-N 2.89Å; L87-I97 HydrophobicContact CB-CG2 4.18Å; L87-I97 HydrophobicContact CD1-CG2 4.04Å; L87-I97 HydrophobicContact CD2-CG2 4.21Å; L87-I97 HydrophobicContact CG-CG2 4.36Å; L87-W98 CarbonylContact C-O 3.37Å; L87-W98 VanDerWaalsContact CA-O 3.26Å; L87-W98 WeakPolarHBondContact CA-O 3.47Å; L87-R99 HydrophobicContact CD2-CB 4.04Å; L87-R99 HydrophobicContact CD2-CG 4.42Å; L87-W128 HydrophobicContact CB-CH2 3.83Å; L87-T152 HydrophobicContact CD1-CG2 3.85Å; L87-V162 HydrophobicContact CD1-CG2 3.99Å; L87-V162 HydrophobicContact CD2-CG2 4.17Å
88L97.8Very high93.5Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-124.6130.9173.7-176.571.9000107.7A35 V47 F65 I74 W76 T90 W98 V100A35-L88 HydrophobicContact CB-CD1 3.78Å; A35-L88 HydrophobicContact CB-CD2 4Å; V47-L88 HydrophobicContact CG1-CD2 4.08Å; F65-L88 HydrophobicContact CE1-CD2 4.28Å; F65-L88 HydrophobicContact CZ-CD2 3.95Å; I74-L88 HydrophobicContact CG2-CD1 3.62Å; I74-L88 HydrophobicContact CG2-CD2 4.47Å; I74-L88 HydrophobicContact CG2-CG 4.2Å; W76-L88 HydrophobicContact CD2-CD1 3.7Å; W76-L88 HydrophobicContact CE3-CB 4.39Å; W76-L88 HydrophobicContact CE3-CD1 4.17Å; W76-L88 HydrophobicContact CG-CD1 3.91Å; W76-L88 HydrophobicContact CZ2-CD1 4.24Å; W76-L88 HydrophobicContact CZ3-CB 4.48Å; L88-T90 HydrophobicContact CG-CG2 4.5Å; L88-W98 HydrophobicContact CB-CB 4.34Å; L88-W98 PolarHBondContact N-O 2.97Å; L88-W98 VanDerWaalsContact O-CD1 3.31Å; L88-W98 PolarHBondContact O-N 3.16Å; L88-V100 HydrophobicContact CB-CG2 3.99Å
89A98.4Very high93.5Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-106.5140.5174.600000110.2I74 M75 L95 R96 I97 F126 W128 L136I74-A89 WeakPolarHBondContact CA-O 3.46Å; M75-A89 PolarHBondContact N-O 3.4Å; M75-A89 PolarHBondContact O-N 2.78Å; A89-L95 HydrophobicContact CB-CD1 4.31Å; A89-R96 CarbonylContact C-O 3.21Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.46Å; A89-I97 HydrophobicContact CB-CD1 3.71Å; A89-F126 HydrophobicContact CB-CE2 3.5Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.31Å; A89-W128 HydrophobicContact CB-CE3 3.67Å; A89-W128 HydrophobicContact CB-CH2 4.15Å; A89-W128 HydrophobicContact CB-CZ3 3.35Å; A89-L136 HydrophobicContact CB-CD2 4.06Å
90T98.4Very high93.7Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-135.1140.2175.769.40000110.2V47 H67 T71 I74 L88 R96 W98V47-T90 HydrophobicContact CG2-CG2 4.28Å; H67-T90 PolarHBondContact CD2-OG1 2.84Å; H67-T90 PolarHBondContact NE2-OG1 2.76Å; T71-T90 HydrophobicContact CG2-CG2 4.26Å; I74-T90 HydrophobicContact CG1-CG2 4.08Å; I74-T90 HydrophobicContact CG2-CG2 4.43Å; L88-T90 HydrophobicContact CG-CG2 4.5Å; T90-R96 PolarHBondContact N-O 2.85Å; T90-R96 PolarHBondContact O-N 2.88Å; T90-W98 PolarHBondContact OG1-NE1 2.9Å
91S96.9Very high93.8Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-109.7156.817458.20000111.9T71 T72 K73 F126T71-S91 CarbonylContact C-O 3.52Å; T71-S91 WeakPolarHBondContact CA-O 2.94Å; T72-S91 PolarHBondContact N-O 2.77Å; T72-S91 WeakPolarHBondContact OG1-CB 3.41Å; T72-S91 PolarHBondContact OG1-OG 2.98Å; K73-S91 PolarHBondContact N-OG 2.85Å; K73-S91 PolarHBondContact O-N 3.11Å; K73-S91 VanDerWaalsContact O-N 3.08Å; K73-S91 PolarHBondContact O-OG 3.43Å; S91-F126 WeakPolarHBondContact OG-CD1 3.38Å
92G93.9Very high93.6Very high5 Ų528.2 Ų28.25%0.05215%0.151CC..SBendtrans-178-118178.100000107.9Y94 L123G92-Y94 VanDerWaalsContact C-N 3.34Å; G92-Y94 PolarHBondContact N-O 3.26Å; G92-L123 WeakPolarHBondContact O-CB 3.1Å; G92-L123 PolarHBondContact O-N 2.71Å
93D91.5Very high93.5Very high26 Ų2632.9 Ų32.914%0.13917%0.173CC..SBendtrans-62.8-38164.756.8-25.8000113.1Y69 R96Y69-D93 HydrophobicContact CD2-CB 3.89Å; Y69-D93 HydrophobicContact CE2-CB 3.9Å; D93-R96 VanDerWaalsContact CG-NH2 3.31Å; D93-R96 IonicContact OD1-CZ 2.7Å; D93-R96 VanDerWaalsContact OD1-CZ 3.24Å; D93-R96 IonicContact OD1-NH1 3.66Å; D93-R96 PolarHBondContact OD1-NH1 3.1Å; D93-R96 IonicContact OD1-NH2 2.88Å; D93-R96 PolarHBondContact OD1-NH2 3.29Å; D93-R96 IonicContact OD2-CZ 3.69Å; D93-R96 IonicContact OD2-NH2 3.24Å; D93-R96 PolarHBondContact OD2-NH2 2.94Å
94Y94.5Very high93.6Very high46 Ų4633.4 Ų33.418%0.1817%0.169CC..SBendtrans-136161.4177.9-59.5-61.1000110.7G92 R96 L110 N112 C120G92-Y94 VanDerWaalsContact C-N 3.34Å; G92-Y94 PolarHBondContact N-O 3.26Å; Y94-R96 PolarHBondContact O-NH1 3.42Å; Y94-L110 HydrophobicContact CD2-CD1 4.03Å; Y94-L110 HydrophobicContact CD2-CD2 4.41Å; Y94-L110 HydrophobicContact CG-CD1 4.04Å; Y94-N112 HydrophobicContact CD1-CB 3.78Å; Y94-N112 HydrophobicContact CE1-CB 3.93Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.38Å; Y94-N112 VanDerWaalsContact CE1-OD1 3.32Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.46Å; Y94-C120 HydrophobicContact CD1-CB 4.48Å; Y94-C120 HydrophobicContact CE1-CB 3.62Å
95L96.6Very high94Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-83.8122.8168.4176.564.3000108.6A89 L111 L123 F126 L136 T138 W148A89-L95 HydrophobicContact CB-CD1 4.31Å; L95-L111 HydrophobicContact CB-CB 3.98Å; L95-L111 HydrophobicContact CB-CD1 4.48Å; L95-L111 HydrophobicContact CD2-CB 4.33Å; L95-L111 HydrophobicContact CD2-CD1 3.41Å; L95-L111 VanDerWaalsContact CD2-CD1 3.41Å; L95-L111 HydrophobicContact CD2-CG 4.5Å; L95-L111 HydrophobicContact CG-CB 4.28Å; L95-L111 HydrophobicContact CG-CD1 3.9Å; L95-L111 PolarHBondContact N-O 3.36Å; L95-L111 WeakPolarHBondContact O-CB 3.43Å; L95-L111 PolarHBondContact O-N 3.12Å; L95-L123 HydrophobicContact CB-CD1 3.75Å; L95-F126 HydrophobicContact CD1-CB 4.48Å; L95-F126 HydrophobicContact CD1-CD1 4.18Å; L95-F126 HydrophobicContact CD1-CD2 4.11Å; L95-F126 HydrophobicContact CD1-CE1 4.41Å; L95-F126 HydrophobicContact CD1-CE2 4.37Å; L95-F126 HydrophobicContact CD1-CG 4.01Å; L95-L136 HydrophobicContact CD2-CB 4.18Å; L95-L136 HydrophobicContact CD2-CD2 4.14Å; L95-T138 HydrophobicContact CB-CG2 4.05Å; L95-T138 HydrophobicContact CD1-CG2 4.49Å; L95-T138 HydrophobicContact CD2-CG2 3.54Å; L95-T138 HydrophobicContact CG-CG2 4.24Å; L95-W148 HydrophobicContact CD2-CG 4.28Å
96R97.1Very high94.2Very high17 Ų1736 Ų366%0.06418%0.178CC..EExtended strand (participates in β ladder)trans-115.9134.6-179.5-71.6176.8-176.177.6-1.3110A89 T90 D93 Y94 W98 L107 L110A89-R96 CarbonylContact C-O 3.21Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.46Å; T90-R96 PolarHBondContact N-O 2.85Å; T90-R96 PolarHBondContact O-N 2.88Å; D93-R96 VanDerWaalsContact CG-NH2 3.31Å; D93-R96 IonicContact OD1-CZ 2.7Å; D93-R96 VanDerWaalsContact OD1-CZ 3.24Å; D93-R96 IonicContact OD1-NH1 3.66Å; D93-R96 PolarHBondContact OD1-NH1 3.1Å; D93-R96 IonicContact OD1-NH2 2.88Å; D93-R96 PolarHBondContact OD1-NH2 3.29Å; D93-R96 IonicContact OD2-CZ 3.69Å; D93-R96 IonicContact OD2-NH2 3.24Å; D93-R96 PolarHBondContact OD2-NH2 2.94Å; Y94-R96 PolarHBondContact O-NH1 3.42Å; R96-W98 HydrophobicContact CB-CZ2 4.04Å; R96-W98 VanDerWaalsContact CD-CZ2 3.49Å; R96-W98 HydrophobicContact CG-CZ2 4.36Å; R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.93Å; R96-L110 HydrophobicContact CG-CD1 3.47Å; R96-L110 VanDerWaalsContact CG-CD1 3.47Å
97I97.4Very high94.3Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-108123171-49.1-58.1000108.2L87 A89 E108 C109 L111 W128 L136 L150L87-I97 HydrophobicContact CB-CG2 4.18Å; L87-I97 HydrophobicContact CD1-CG2 4.04Å; L87-I97 HydrophobicContact CD2-CG2 4.21Å; L87-I97 HydrophobicContact CG-CG2 4.36Å; A89-I97 HydrophobicContact CB-CD1 3.71Å; I97-E108 PolarHBondContact O-N 3.46Å; I97-C109 HydrophobicContact CB-CB 3.96Å; I97-C109 HydrophobicContact CG1-CB 4.14Å; I97-C109 PolarHBondContact N-O 2.76Å; I97-C109 PolarHBondContact O-N 3.21Å; I97-C109 VanDerWaalsContact O-N 3.12Å; I97-L111 HydrophobicContact CG1-CD1 4.44Å; I97-W128 HydrophobicContact CD1-CH2 4.27Å; I97-W128 HydrophobicContact CG2-CH2 4.5Å; I97-L136 HydrophobicContact CD1-CD2 4.16Å; I97-L150 HydrophobicContact CD1-CD1 4.21Å; I97-L150 HydrophobicContact CG1-CD1 4.25Å; I97-L150 HydrophobicContact CG1-CD2 4.23Å
98W97Very high94.1Very high21 Ų2140.3 Ų40.38%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-110.6138.9-179.9-50.186.6000109F65 H67 L87 L88 T90 R96 T105 R106 L107F65-W98 HydrophobicContact CD2-CD2 4.17Å; F65-W98 AromaticContact CD2-CE3 3.87Å; F65-W98 HydrophobicContact CD2-CE3 3.87Å; F65-W98 AromaticContact CD2-CH2 3.87Å; F65-W98 HydrophobicContact CD2-CH2 3.87Å; F65-W98 HydrophobicContact CD2-CZ2 4.16Å; F65-W98 AromaticContact CD2-CZ3 3.72Å; F65-W98 HydrophobicContact CD2-CZ3 3.72Å; F65-W98 AromaticContact CE2-CD2 3.53Å; F65-W98 HydrophobicContact CE2-CD2 3.53Å; F65-W98 AromaticContact CE2-CE2 3.54Å; F65-W98 AromaticContact CE2-CE3 3.73Å; F65-W98 HydrophobicContact CE2-CE3 3.73Å; F65-W98 HydrophobicContact CE2-CG 4.07Å; F65-W98 AromaticContact CE2-CH2 3.94Å; F65-W98 HydrophobicContact CE2-CH2 3.94Å; F65-W98 AromaticContact CE2-CZ2 3.76Å; F65-W98 HydrophobicContact CE2-CZ2 3.76Å; F65-W98 AromaticContact CE2-CZ3 3.92Å; F65-W98 HydrophobicContact CE2-CZ3 3.92Å; F65-W98 HydrophobicContact CZ-CD2 4.11Å; F65-W98 HydrophobicContact CZ-CE3 4.49Å; F65-W98 HydrophobicContact CZ-CG 4.19Å; H67-W98 AromaticContact CD2-CZ2 3.92Å; L87-W98 CarbonylContact C-O 3.37Å; L87-W98 VanDerWaalsContact CA-O 3.26Å; L87-W98 WeakPolarHBondContact CA-O 3.47Å; L88-W98 HydrophobicContact CB-CB 4.34Å; L88-W98 PolarHBondContact N-O 2.97Å; L88-W98 VanDerWaalsContact O-CD1 3.31Å; L88-W98 PolarHBondContact O-N 3.16Å; T90-W98 PolarHBondContact OG1-NE1 2.9Å; R96-W98 HydrophobicContact CB-CZ2 4.04Å; R96-W98 VanDerWaalsContact CD-CZ2 3.49Å; R96-W98 HydrophobicContact CG-CZ2 4.36Å; W98-T105 HydrophobicContact CB-CG2 3.84Å; W98-T105 HydrophobicContact CE3-CG2 4.31Å; W98-T105 HydrophobicContact CG-CG2 4.5Å; W98-R106 CarbonylContact C-O 3.58Å; W98-R106 VanDerWaalsContact CA-O 3.3Å; W98-R106 WeakPolarHBondContact CA-O 3.45Å; W98-L107 HydrophobicContact CD2-CD1 4.05Å; W98-L107 HydrophobicContact CE3-CB 3.86Å; W98-L107 HydrophobicContact CE3-CD1 4.08Å; W98-L107 HydrophobicContact CH2-CB 4.44Å; W98-L107 HydrophobicContact CH2-CD1 4.18Å; W98-L107 HydrophobicContact CZ2-CD1 4.14Å; W98-L107 HydrophobicContact CZ3-CB 3.75Å; W98-L107 HydrophobicContact CZ3-CD1 4.15Å; W98-L107 HydrophobicContact CZ3-CG 4.48Å
99R94.8Very high93.9Very high56 Ų5641 Ų4121%0.21120%0.204CC..EExtended strand (participates in β ladder)trans-94.2123.5165.5-178.1-179.5-52.6-109.6-3.1108.9P85 L87 T105 R106 E108P85-R99 VanDerWaalsContact CG-NH1 3.3Å; L87-R99 HydrophobicContact CD2-CB 4.04Å; L87-R99 HydrophobicContact CD2-CG 4.42Å; R99-T105 WeakPolarHBondContact O-CA 3.46Å; R99-R106 HydrophobicContact CB-CG 4.11Å; R99-R106 PolarHBondContact N-O 2.89Å; R99-R106 PolarHBondContact O-N 2.92Å; R99-E108 HydrophobicContact CB-CG 3.42Å; R99-E108 VanDerWaalsContact CB-CG 3.42Å; R99-E108 WeakPolarHBondContact CB-OE1 3.5Å; R99-E108 WeakPolarHBondContact CD-OE1 3.44Å; R99-E108 IonicContact CZ-OE1 3.09Å; R99-E108 IonicContact CZ-OE2 3.96Å; R99-E108 IonicContact NE-OE1 3.41Å; R99-E108 PolarHBondContact NE-OE1 2.97Å; R99-E108 IonicContact NE-OE2 3.75Å; R99-E108 IonicContact NH2-OE1 3.26Å; R99-E108 IonicContact NH2-OE2 2.87Å; R99-E108 PolarHBondContact NH2-OE2 3.07Å
100V94.4Very high93.7Very high10 Ų1044.9 Ų44.96%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-95.2130.5175.2-177.10000108.6I49 W76 D86 L88 T105I49-V100 HydrophobicContact CD1-CB 4.27Å; I49-V100 HydrophobicContact CD1-CG1 3.52Å; I49-V100 HydrophobicContact CD1-CG2 3.68Å; W76-V100 HydrophobicContact CH2-CB 4.2Å; W76-V100 HydrophobicContact CH2-CG1 4.07Å; W76-V100 HydrophobicContact CH2-CG2 3.84Å; W76-V100 HydrophobicContact CZ3-CB 3.99Å; W76-V100 HydrophobicContact CZ3-CG1 4.3Å; W76-V100 HydrophobicContact CZ3-CG2 3.71Å; D86-V100 HydrophobicContact CB-CB 4.49Å; D86-V100 WeakPolarHBondContact CB-O 3.4Å; D86-V100 PolarHBondContact O-N 2.8Å; L88-V100 HydrophobicContact CB-CG2 3.99Å; V100-T105 HydrophobicContact CG2-CG2 4.16Å
101S90.9Very high93.5Very high50 Ų5045.1 Ų45.135%0.3523%0.226SC..  trans-124.2178.6168.671.60000109.6T103 E104S101-T103 PolarHBondContact O-N 2.69Å; S101-T103 PolarHBondContact OG-N 2.82Å; S101-E104 WeakPolarHBondContact CB-O 3.36Å; S101-E104 PolarHBondContact N-O 3.33Å; S101-E104 WeakPolarHBondContact OG-CG 3.42Å; S101-E104 PolarHBondContact OG-N 3.42Å; S101-E104 PolarHBondContact OG-O 2.81Å
102E84.7Confident93Very high163 Ų16347.1 Ų47.176%0.76224%0.237SC*.SBendtrans-69-26.4177.5-59.5-166.5155.700112.5K30K30-E102 IonicContact NZ-OE1 3.35Å; K30-E102 PolarHBondContact NZ-OE1 2.89Å
103T85.1Confident92.1Very high131 Ų13149.9 Ų49.980%0.80425%0.251SS*.SBendtrans-105.2-33.3-174.353.20000113.5S101S101-T103 PolarHBondContact O-N 2.69Å; S101-T103 PolarHBondContact OG-N 2.82Å
104E90.7Very high91.1Very high102 Ų10251.1 Ų51.148%0.47726%0.257SS..  trans-146.8155.5-175.363.6173.6-159.300112.6N63 S101N63-E104 VanDerWaalsContact ND2-C 3.33Å; S101-E104 WeakPolarHBondContact CB-O 3.36Å; S101-E104 PolarHBondContact N-O 3.33Å; S101-E104 WeakPolarHBondContact OG-CG 3.42Å; S101-E104 PolarHBondContact OG-N 3.42Å; S101-E104 PolarHBondContact OG-O 2.81Å
105T95.3Very high89.5Confident21 Ų2158 Ų5813%0.12929%0.288CS..EExtended strand (participates in β ladder)trans-115126.4165.5-64.80000107.6N63 F65 W98 R99 V100N63-T105 PolarHBondContact ND2-N 2.78Å; N63-T105 VanDerWaalsContact ND2-N 3.16Å; N63-T105 PolarHBondContact ND2-OG1 3.34Å; F65-T105 HydrophobicContact CD1-CG2 3.69Å; F65-T105 HydrophobicContact CE1-CG2 3.61Å; F65-T105 HydrophobicContact CE2-CG2 4.47Å; F65-T105 HydrophobicContact CG-CG2 4.17Å; F65-T105 HydrophobicContact CZ-CG2 3.99Å; W98-T105 HydrophobicContact CB-CG2 3.84Å; W98-T105 HydrophobicContact CE3-CG2 4.31Å; W98-T105 HydrophobicContact CG-CG2 4.5Å; R99-T105 WeakPolarHBondContact O-CA 3.46Å; V100-T105 HydrophobicContact CG2-CG2 4.16Å
106R94.5Very high87.6Confident94 Ų9465.6 Ų65.636%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-124.8143-176.969.2-174.2-165.7179.97.8111.2W98 R99 E108W98-R106 CarbonylContact C-O 3.58Å; W98-R106 VanDerWaalsContact CA-O 3.3Å; W98-R106 WeakPolarHBondContact CA-O 3.45Å; R99-R106 HydrophobicContact CB-CG 4.11Å; R99-R106 PolarHBondContact N-O 2.89Å; R99-R106 PolarHBondContact O-N 2.92Å; R106-E108 IonicContact CZ-OE1 3.51Å; R106-E108 IonicContact NE-OE1 2.95Å; R106-E108 PolarHBondContact NE-OE1 2.78Å; R106-E108 IonicContact NH2-OE1 3.7Å; R106-E108 PolarHBondContact NH2-OE1 2.67Å; R106-E108 PolarHBondContact O-N 2.87Å
107L95Very high86Confident85 Ų8567.4 Ų67.445%0.44534%0.344SS..EExtended strand (participates in β ladder)trans-68.5120172-176.366.2000108.9R96 W98R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.93Å; W98-L107 HydrophobicContact CD2-CD1 4.05Å; W98-L107 HydrophobicContact CE3-CB 3.86Å; W98-L107 HydrophobicContact CE3-CD1 4.08Å; W98-L107 HydrophobicContact CH2-CB 4.44Å; W98-L107 HydrophobicContact CH2-CD1 4.18Å; W98-L107 HydrophobicContact CZ2-CD1 4.14Å; W98-L107 HydrophobicContact CZ3-CB 3.75Å; W98-L107 HydrophobicContact CZ3-CD1 4.15Å; W98-L107 HydrophobicContact CZ3-CG 4.48Å
108E92.2Very high84.1Confident19 Ų1974.9 Ų74.99%0.08938%0.384CS..EExtended strand (participates in β ladder)trans-95.5-44176.9-74.2-80.1146.900112I97 R99 R106 V162I97-E108 PolarHBondContact O-N 3.46Å; R99-E108 HydrophobicContact CB-CG 3.42Å; R99-E108 VanDerWaalsContact CB-CG 3.42Å; R99-E108 WeakPolarHBondContact CB-OE1 3.5Å; R99-E108 WeakPolarHBondContact CD-OE1 3.44Å; R99-E108 IonicContact CZ-OE1 3.09Å; R99-E108 IonicContact CZ-OE2 3.96Å; R99-E108 IonicContact NE-OE1 3.41Å; R99-E108 PolarHBondContact NE-OE1 2.97Å; R99-E108 IonicContact NE-OE2 3.75Å; R99-E108 IonicContact NH2-OE1 3.26Å; R99-E108 IonicContact NH2-OE2 2.87Å; R99-E108 PolarHBondContact NH2-OE2 3.07Å; R106-E108 IonicContact CZ-OE1 3.51Å; R106-E108 IonicContact NE-OE1 2.95Å; R106-E108 PolarHBondContact NE-OE1 2.78Å; R106-E108 IonicContact NH2-OE1 3.7Å; R106-E108 PolarHBondContact NH2-OE1 2.67Å; R106-E108 PolarHBondContact O-N 2.87Å; E108-V162 HydrophobicContact CB-CB 4.09Å; E108-V162 HydrophobicContact CB-CG2 4.39Å; E108-V162 HydrophobicContact CG-CG2 4.44Å; E108-V162 PolarHBondContact OE2-N 3.27Å
109C92.9Very high82.3Confident14 Ų1482.4 Ų82.410%0.09542%0.417CS..EExtended strand (participates in β ladder)trans-144.7132.2-172.2-164.90000110.5I97 V162I97-C109 HydrophobicContact CB-CB 3.96Å; I97-C109 HydrophobicContact CG1-CB 4.14Å; I97-C109 PolarHBondContact N-O 2.76Å; I97-C109 PolarHBondContact O-N 3.21Å; I97-C109 VanDerWaalsContact O-N 3.12Å; C109-V162 HydrophobicContact CB-CG1 4.42Å; C109-V162 WeakPolarHBondContact CB-O 3.06Å
110L94.3Very high81.4Confident83 Ų8381.9 Ų81.944%0.43542%0.422SS..EExtended strand (participates in β ladder)trans-107.9113.3168.5-177.473.5000107.7Y94 R96Y94-L110 HydrophobicContact CD2-CD1 4.03Å; Y94-L110 HydrophobicContact CD2-CD2 4.41Å; Y94-L110 HydrophobicContact CG-CD1 4.04Å; R96-L110 HydrophobicContact CG-CD1 3.47Å; R96-L110 VanDerWaalsContact CG-CD1 3.47Å
111L92.8Very high81Confident4 Ų482.6 Ų82.62%0.02143%0.429CS..EExtended strand (participates in β ladder)trans-91.4107.4178.3-72.2175.8000109.1L95 I97 W148 L150L95-L111 HydrophobicContact CB-CB 3.98Å; L95-L111 HydrophobicContact CB-CD1 4.48Å; L95-L111 HydrophobicContact CD2-CB 4.33Å; L95-L111 HydrophobicContact CD2-CD1 3.41Å; L95-L111 VanDerWaalsContact CD2-CD1 3.41Å; L95-L111 HydrophobicContact CD2-CG 4.5Å; L95-L111 HydrophobicContact CG-CB 4.28Å; L95-L111 HydrophobicContact CG-CD1 3.9Å; L95-L111 PolarHBondContact N-O 3.36Å; L95-L111 WeakPolarHBondContact O-CB 3.43Å; L95-L111 PolarHBondContact O-N 3.12Å; I97-L111 HydrophobicContact CG1-CD1 4.44Å; L111-W148 HydrophobicContact CB-CD2 4.05Å; L111-W148 HydrophobicContact CB-CE3 3.81Å; L111-W148 HydrophobicContact CB-CH2 4.11Å; L111-W148 HydrophobicContact CB-CZ2 4.36Å; L111-W148 HydrophobicContact CB-CZ3 3.82Å; L111-W148 HydrophobicContact CD1-CB 3.92Å; L111-W148 HydrophobicContact CD1-CD2 3.99Å; L111-W148 HydrophobicContact CD1-CE3 4.15Å; L111-W148 HydrophobicContact CD1-CG 3.9Å; L111-W148 HydrophobicContact CD2-CD2 4.26Å; L111-W148 HydrophobicContact CD2-CE3 3.56Å; L111-W148 HydrophobicContact CD2-CZ3 3.99Å; L111-W148 HydrophobicContact CG-CD2 4.34Å; L111-W148 HydrophobicContact CG-CE3 4.04Å; L111-W148 HydrophobicContact CG-CZ3 4.45Å; L111-L150 HydrophobicContact CD1-CD2 3.93Å; L111-L150 HydrophobicContact CD2-CD2 4.42Å
112N86.6Confident81Confident43 Ų4383.2 Ų83.223%0.2343%0.431CS..  trans-132.7131.7179.2179.611.6000109.5Y94 N114Y94-N112 HydrophobicContact CD1-CB 3.78Å; Y94-N112 HydrophobicContact CE1-CB 3.93Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.38Å; Y94-N112 VanDerWaalsContact CE1-OD1 3.32Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.46Å; N112-N114 PolarHBondContact ND2-O 2.85Å; N112-N114 PolarHBondContact OD1-N 2.95Å
113N74.8Confident81.6Confident63 Ų6376.2 Ų76.234%0.33740%0.399SS..SBendtrans-87.3-23.2-179.6-167.611.8000111.5W148 V166 Q169N113-W148 HydrophobicContact CB-CH2 3.95Å; N113-V166 HydrophobicContact CB-CG2 4.27Å; N113-Q169 PolarHBondContact ND2-NE2 2.92Å; N113-Q169 PolarHBondContact ND2-OE1 3.34Å
114N71Confident82.1Confident52 Ų5271 Ų7128%0.27837%0.367SS..  trans-103.898.5-174.2-158.4-20.5000111.9N112 N116 S117 F119N112-N114 PolarHBondContact ND2-O 2.85Å; N112-N114 PolarHBondContact OD1-N 2.95Å; N114-N116 PolarHBondContact OD1-N 3.17Å; N114-S117 VanDerWaalsContact CG-OG 3.3Å; N114-S117 PolarHBondContact ND2-OG 3.33Å; N114-S117 PolarHBondContact OD1-N 3.44Å; N114-S117 PolarHBondContact OD1-OG 3.14Å; N114-F119 PolarHBondContact ND2-O 3.28Å
115K61.9Low82.5Confident190 Ų19066.1 Ų66.183%0.82634%0.344SS*.SBendtrans-87.4-9.9176.3-65.6-174.4180179.40113.9
116N57Low82.7Confident160 Ų16065.1 Ų65.186%0.85634%0.338SS*.SBendtrans-122.2-6.8-164.5-73-12.8000115N114N114-N116 PolarHBondContact OD1-N 3.17Å
117S62.2Low82.8Confident54 Ų5461 Ų6138%0.37832%0.323SS..  trans-136.1148.9171.776.50000112.3N114 F119N114-S117 VanDerWaalsContact CG-OG 3.3Å; N114-S117 PolarHBondContact ND2-OG 3.33Å; N114-S117 PolarHBondContact OD1-N 3.44Å; N114-S117 PolarHBondContact OD1-OG 3.14Å; S117-F119 PolarHBondContact O-N 2.88Å; S117-F119 VanDerWaalsContact O-N 3.13Å; S117-F119 PolarHBondContact OG-O 3.01Å
118D58.4Low83Confident157 Ų15757 Ų5784%0.8430%0.302SS*.SBendtrans-70.1-4.6179.5-59.4-40.8000113.9
119F59.4Low83.2Confident179 Ų17956.2 Ų56.279%0.78530%0.299SS*.  trans-112.7122.8-179.6-67.7-84.3000111.6N114 S117N114-F119 PolarHBondContact ND2-O 3.28Å; S117-F119 PolarHBondContact O-N 2.88Å; S117-F119 VanDerWaalsContact O-N 3.13Å; S117-F119 PolarHBondContact OG-O 3.01Å
120C75Confident83.2Confident45 Ų4558.7 Ų58.730%0.30431%0.309SS..  trans-123137.1169-170.60000108.3Y94Y94-C120 HydrophobicContact CD1-CB 4.48Å; Y94-C120 HydrophobicContact CE1-CB 3.62Å
121A86.3Confident83.2Confident25 Ų2558.1 Ų58.121%0.20731%0.309CS..PPolyproline II helixtrans-68130.6174.900000109.2S140 I141 D142A121-S140 WeakPolarHBondContact CB-OG 3.28Å; A121-I141 HydrophobicContact CB-CG1 3.99Å; A121-D142 HydrophobicContact CB-CB 3.67Å
122P91.1Very high83.2Confident63 Ų6359 Ų5941%0.40931%0.314SS..PPolyproline II helixtrans-63144.9-178.226.8-35.6000111.4I141P122-I141 HydrophobicContact CG-CD1 3.78Å; P122-I141 HydrophobicContact CG-CG1 4.19Å
123L96.2Very high83.5Confident16 Ų1657.6 Ų57.68%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-78.7125.7177.8-55.5-177.1000110.1T72 G92 L95 T138 S139T72-L123 WeakPolarHBondContact CB-O 3.38Å; T72-L123 WeakPolarHBondContact CG2-O 3.2Å; T72-L123 PolarHBondContact OG1-O 2.93Å; G92-L123 WeakPolarHBondContact O-CB 3.1Å; G92-L123 PolarHBondContact O-N 2.71Å; L95-L123 HydrophobicContact CB-CD1 3.75Å; L123-T138 HydrophobicContact CD1-CG2 3.84Å; L123-S139 CarbonylContact C-O 3.57Å; L123-S139 WeakPolarHBondContact CA-O 3.42Å
124T97.4Very high84.4Confident21 Ų2156.4 Ų56.413%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-81.1-30.2179.253.10000112.3S139 I141 V177 Y178T124-S139 PolarHBondContact N-O 2.82Å; T124-S139 VanDerWaalsContact OG1-C 3.3Å; T124-S139 WeakPolarHBondContact OG1-CB 3.46Å; T124-S139 PolarHBondContact OG1-O 2.97Å; T124-S139 PolarHBondContact OG1-OG 2.74Å; T124-I141 HydrophobicContact CG2-CG2 3.42Å; T124-I141 VanDerWaalsContact CG2-CG2 3.42Å; T124-V177 WeakPolarHBondContact CB-O 3.37Å; T124-V177 VanDerWaalsContact CG2-O 3.3Å; T124-V177 WeakPolarHBondContact CG2-O 3.42Å; T124-V177 PolarHBondContact OG1-O 3.05Å; T124-Y178 HydrophobicContact CG2-CD1 4.29Å
125S98.1Very high85.6Confident0 Ų054.2 Ų54.20%029%0.289CS..EExtended strand (participates in β ladder)trans-166.9174.1178.9-169.50000110.6K73 S139 Y178 D179K73-S125 WeakPolarHBondContact CD-OG 3.35Å; K73-S125 PolarHBondContact NZ-OG 2.86Å; S125-S139 WeakPolarHBondContact CB-OG 3.47Å; S125-S139 PolarHBondContact N-OG 2.98Å; S125-S139 PolarHBondContact O-N 2.94Å; S125-S139 PolarHBondContact O-OG 2.72Å; S125-Y178 WeakPolarHBondContact CB-O 3.28Å; S125-D179 VanDerWaalsContact CB-OD1 3.23Å; S125-D179 WeakPolarHBondContact CB-OD1 3.44Å; S125-D179 PolarHBondContact OG-OD1 2.88Å
126F98.6Very high87.3Confident0 Ų045.2 Ų45.20%025%0.249CC..EExtended strand (participates in β ladder)trans-151.5165.816679.5-83.9000111.1K73 M75 A89 S91 L95 L136 G137 T138K73-F126 HydrophobicContact CB-CD1 3.79Å; K73-F126 HydrophobicContact CB-CE1 3.79Å; K73-F126 WeakPolarHBondContact CD-O 3.5Å; K73-F126 WeakPolarHBondContact CE-O 3.39Å; K73-F126 HydrophobicContact CG-CD1 4.27Å; K73-F126 HydrophobicContact CG-CE1 4.13Å; K73-F126 PolarHBondContact NZ-O 3.1Å; K73-F126 WeakPolarHBondContact O-CE1 3.2Å; M75-F126 HydrophobicContact CB-CE2 3.83Å; M75-F126 HydrophobicContact CB-CZ 3.69Å; M75-F126 HydrophobicContact CG-CE2 3.97Å; M75-F126 HydrophobicContact CG-CZ 3.8Å; M75-F126 HydrophobicContact SD-CD2 4.27Å; M75-F126 HydrophobicContact SD-CE2 3.85Å; M75-F126 HydrophobicContact SD-CZ 4.23Å; A89-F126 HydrophobicContact CB-CE2 3.5Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.31Å; S91-F126 WeakPolarHBondContact OG-CD1 3.38Å; L95-F126 HydrophobicContact CD1-CB 4.48Å; L95-F126 HydrophobicContact CD1-CD1 4.18Å; L95-F126 HydrophobicContact CD1-CD2 4.11Å; L95-F126 HydrophobicContact CD1-CE1 4.41Å; L95-F126 HydrophobicContact CD1-CE2 4.37Å; L95-F126 HydrophobicContact CD1-CG 4.01Å; F126-L136 HydrophobicContact CD2-CD2 3.99Å; F126-L136 HydrophobicContact CE2-CD2 4.02Å; F126-G137 CarbonylContact C-O 3.55Å; F126-G137 WeakPolarHBondContact CA-O 3.33Å; F126-G137 WeakPolarHBondContact CB-O 3.38Å; F126-T138 HydrophobicContact CB-CG2 3.79Å
127D98.5Very high89.3Confident9 Ų937.6 Ų37.65%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-137.5150.8168.1-168.637.3000111M75 L136 G137 I180 A181 F182M75-D127 WeakPolarHBondContact CE-OD1 3.48Å; D127-L136 WeakPolarHBondContact O-CA 3.22Å; D127-G137 PolarHBondContact N-O 3.38Å; D127-G137 PolarHBondContact O-N 2.74Å; D127-I180 WeakPolarHBondContact CB-O 3.43Å; D127-A181 HydrophobicContact CB-CB 4.38Å; D127-A181 VanDerWaalsContact OD2-CA 3.32Å; D127-A181 WeakPolarHBondContact OD2-CA 3.26Å; D127-F182 HydrophobicContact CB-CD2 4.19Å; D127-F182 PolarHBondContact OD2-N 2.97Å
128W97.6Very high91Very high1 Ų135 Ų350%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-108.9121.9179.7-151.1-31.5000109.1M75 I77 P78 L87 A89 I97 E130 P133 L136 L150M75-W128 HydrophobicContact CE-CB 4.23Å; M75-W128 HydrophobicContact SD-CB 4.48Å; I77-W128 HydrophobicContact CB-CE3 4.42Å; I77-W128 HydrophobicContact CB-CH2 3.76Å; I77-W128 HydrophobicContact CB-CZ2 3.92Å; I77-W128 HydrophobicContact CB-CZ3 3.99Å; I77-W128 HydrophobicContact CD1-CZ2 4.15Å; I77-W128 HydrophobicContact CG1-CH2 4.23Å; I77-W128 HydrophobicContact CG1-CZ2 3.85Å; P78-W128 VanDerWaalsContact CD-CG 3.47Å; P78-W128 HydrophobicContact CG-CB 4.28Å; P78-W128 HydrophobicContact CG-CG 4.07Å; L87-W128 HydrophobicContact CB-CH2 3.83Å; A89-W128 HydrophobicContact CB-CE3 3.67Å; A89-W128 HydrophobicContact CB-CH2 4.15Å; A89-W128 HydrophobicContact CB-CZ3 3.35Å; I97-W128 HydrophobicContact CD1-CH2 4.27Å; I97-W128 HydrophobicContact CG2-CH2 4.5Å; W128-E130 PolarHBondContact O-N 2.7Å; W128-E130 VanDerWaalsContact O-N 3.17Å; W128-P133 PolarHBondContact NE1-O 2.88Å; W128-L136 HydrophobicContact CB-CD2 4.34Å; W128-L136 HydrophobicContact CB-CG 4.41Å; W128-L136 HydrophobicContact CD2-CD1 4.31Å; W128-L136 HydrophobicContact CD2-CD2 3.61Å; W128-L136 HydrophobicContact CD2-CG 3.95Å; W128-L136 HydrophobicContact CE3-CD2 3.95Å; W128-L136 HydrophobicContact CG-CD1 4.43Å; W128-L136 HydrophobicContact CG-CD2 3.83Å; W128-L136 HydrophobicContact CG-CG 3.79Å; W128-L136 HydrophobicContact CZ2-CD1 4.13Å; W128-L136 HydrophobicContact CZ2-CD2 4.38Å; W128-L136 HydrophobicContact CZ3-CD2 4.46Å; W128-L150 HydrophobicContact CZ2-CD1 3.81Å
129N96.6Very high92.9Very high1 Ų127.6 Ų27.61%0.00515%0.151CC..  trans-65119.4-176.6-170.2-56.3000111.1P78 V131 D132 L135 F182 G188 R189P78-N129 WeakPolarHBondContact CG-O 3.48Å; N129-V131 VanDerWaalsContact C-N 3.3Å; N129-V131 PolarHBondContact O-N 2.91Å; N129-V131 WeakPolarHBondContact OD1-CA 3.47Å; N129-V131 WeakPolarHBondContact OD1-CB 3.48Å; N129-V131 PolarHBondContact OD1-N 2.81Å; N129-D132 WeakPolarHBondContact CB-O 3.35Å; N129-D132 CarbonylContact O-C 3.57Å; N129-D132 PolarHBondContact OD1-N 3.05Å; N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.45Å; N129-L135 PolarHBondContact N-O 2.97Å; N129-F182 HydrophobicContact CB-CB 4.47Å; N129-F182 HydrophobicContact CB-CD1 4.27Å; N129-F182 HydrophobicContact CB-CD2 3.77Å; N129-F182 HydrophobicContact CB-CE1 4.47Å; N129-F182 HydrophobicContact CB-CE2 3.98Å; N129-F182 HydrophobicContact CB-CG 3.92Å; N129-F182 HydrophobicContact CB-CZ 4.34Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.01Å; N129-G188 PolarHBondContact ND2-O 3.01Å; N129-G188 PolarHBondContact OD1-O 2.93Å; N129-R189 PolarHBondContact ND2-O 2.75Å
130E93.8Very high94.7Very high66 Ų6619.2 Ų19.231%0.30812%0.115SC..SBendtrans-72.5-19.9-178.6-69.1178.7-166.700114.1P78 W128 R184 K231P78-E130 HydrophobicContact CB-CB 4.32Å; P78-E130 HydrophobicContact CB-CG 3.95Å; W128-E130 PolarHBondContact O-N 2.7Å; W128-E130 VanDerWaalsContact O-N 3.17Å; E130-R184 WeakPolarHBondContact OE2-CD 3.44Å; E130-R184 IonicContact OE2-CZ 3.61Å; E130-R184 IonicContact OE2-NH1 2.78Å; E130-R184 PolarHBondContact OE2-NH1 2.74Å; E130-K231 WeakPolarHBondContact OE1-CD 3.48Å; E130-K231 VanDerWaalsContact OE1-CE 3.22Å; E130-K231 WeakPolarHBondContact OE1-CE 3.36Å; E130-K231 IonicContact OE1-NZ 3.87Å; E130-K231 PolarHBondContact OE1-NZ 3Å; E130-K231 IonicContact OE2-NZ 2.73Å
131V93.8Very high95.7Very high72 Ų7220.6 Ų20.644%0.43612%0.118SC..SBendtrans-92.8-40.6-179.7-178.80000111.3N129 G187N129-V131 VanDerWaalsContact C-N 3.3Å; N129-V131 PolarHBondContact O-N 2.91Å; N129-V131 WeakPolarHBondContact OD1-CA 3.47Å; N129-V131 WeakPolarHBondContact OD1-CB 3.48Å; N129-V131 PolarHBondContact OD1-N 2.81Å; V131-G187 WeakPolarHBondContact CG1-O 3.3Å
132D93.4Very high96.1Very high23 Ų2322.5 Ų22.512%0.12313%0.125CC..  trans-121.689.2175.1-171.2-6.3000109.7N129 N134 L135 R189N129-D132 WeakPolarHBondContact CB-O 3.35Å; N129-D132 CarbonylContact O-C 3.57Å; N129-D132 PolarHBondContact OD1-N 3.05Å; D132-N134 PolarHBondContact O-N 3.48Å; D132-N134 WeakPolarHBondContact OD1-CB 3.46Å; D132-N134 PolarHBondContact OD1-N 2.98Å; D132-L135 HydrophobicContact CB-CD1 4.16Å; D132-L135 HydrophobicContact CB-CG 4.36Å; D132-L135 PolarHBondContact O-N 2.81Å; D132-R189 HydrophobicContact CB-CG 4Å; D132-R189 IonicContact OD2-CZ 3.93Å; D132-R189 IonicContact OD2-NE 3.65Å; D132-R189 PolarHBondContact OD2-NE 2.97Å; D132-R189 IonicContact OD2-NH2 2.9Å; D132-R189 PolarHBondContact OD2-NH2 3.12Å; D132-R189 VanDerWaalsContact OD2-NH2 3.1Å
133P93.3Very high96.4Very high13 Ų1321.3 Ų21.38%0.08412%0.116CC..THydrogen-bonded Turntrans-61.7-3.8-178.1-25.535.6000115I77 P78 Y84 W128 L135I77-P133 HydrophobicContact CD1-CB 4.24Å; I77-P133 HydrophobicContact CG1-CB 4.18Å; P78-P133 HydrophobicContact CG-CB 4.48Å; Y84-P133 HydrophobicContact CE2-CB 4.11Å; Y84-P133 HydrophobicContact CE2-CG 3.9Å; W128-P133 PolarHBondContact NE1-O 2.88Å; P133-L135 VanDerWaalsContact C-N 3.29Å
134N93.4Very high96.4Very high38 Ų3821.2 Ų21.220%0.20312%0.117CC..THydrogen-bonded Turntrans-84.7-0.6170.2-66.6-43.1000112.9D132 G149 L150 T152D132-N134 PolarHBondContact O-N 3.48Å; D132-N134 WeakPolarHBondContact OD1-CB 3.46Å; D132-N134 PolarHBondContact OD1-N 2.98Å; N134-G149 CarbonylContact O-C 3.57Å; N134-G149 WeakPolarHBondContact O-CA 3.36Å; N134-L150 VanDerWaalsContact CB-O 3.27Å; N134-L150 WeakPolarHBondContact CB-O 3.17Å; N134-L150 PolarHBondContact O-N 2.78Å; N134-L150 PolarHBondContact OD1-O 2.82Å; N134-T152 PolarHBondContact OD1-OG1 3.41Å
135L95.9Very high96.4Very high6 Ų620.2 Ų20.23%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-113.9129.7179.4-64.6178.1000111.6N129 D132 P133 W148 K167 R189N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.45Å; N129-L135 PolarHBondContact N-O 2.97Å; D132-L135 HydrophobicContact CB-CD1 4.16Å; D132-L135 HydrophobicContact CB-CG 4.36Å; D132-L135 PolarHBondContact O-N 2.81Å; P133-L135 VanDerWaalsContact C-N 3.29Å; L135-W148 WeakPolarHBondContact CA-O 3.17Å; L135-K167 HydrophobicContact CD2-CD 3.79Å; L135-R189 HydrophobicContact CD1-CG 4.2Å
136L97.9Very high96.3Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-125.4152.2167.7-65.294.7000109.6A89 L95 I97 F126 D127 W128 I147 W148 L150A89-L136 HydrophobicContact CB-CD2 4.06Å; L95-L136 HydrophobicContact CD2-CB 4.18Å; L95-L136 HydrophobicContact CD2-CD2 4.14Å; I97-L136 HydrophobicContact CD1-CD2 4.16Å; F126-L136 HydrophobicContact CD2-CD2 3.99Å; F126-L136 HydrophobicContact CE2-CD2 4.02Å; D127-L136 WeakPolarHBondContact O-CA 3.22Å; W128-L136 HydrophobicContact CB-CD2 4.34Å; W128-L136 HydrophobicContact CB-CG 4.41Å; W128-L136 HydrophobicContact CD2-CD1 4.31Å; W128-L136 HydrophobicContact CD2-CD2 3.61Å; W128-L136 HydrophobicContact CD2-CG 3.95Å; W128-L136 HydrophobicContact CE3-CD2 3.95Å; W128-L136 HydrophobicContact CG-CD1 4.43Å; W128-L136 HydrophobicContact CG-CD2 3.83Å; W128-L136 HydrophobicContact CG-CG 3.79Å; W128-L136 HydrophobicContact CZ2-CD1 4.13Å; W128-L136 HydrophobicContact CZ2-CD2 4.38Å; W128-L136 HydrophobicContact CZ3-CD2 4.46Å; L136-I147 CarbonylContact O-C 3.59Å; L136-I147 WeakPolarHBondContact O-CA 3.27Å; L136-W148 HydrophobicContact CB-CB 4.42Å; L136-W148 PolarHBondContact N-O 3.46Å; L136-W148 VanDerWaalsContact N-O 3.15Å; L136-W148 PolarHBondContact O-N 2.86Å; L136-L150 HydrophobicContact CD1-CD1 3.22Å; L136-L150 HydrophobicContact CD1-CD2 4.39Å; L136-L150 HydrophobicContact CD1-CG 3.5Å; L136-L150 VanDerWaalsContact CD1-CG 3.5Å
137G98Very high96.3Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-126.7134.6174.700000109.3F126 D127 T146 I180F126-G137 CarbonylContact C-O 3.55Å; F126-G137 WeakPolarHBondContact CA-O 3.33Å; F126-G137 WeakPolarHBondContact CB-O 3.38Å; D127-G137 PolarHBondContact N-O 3.38Å; D127-G137 PolarHBondContact O-N 2.74Å; G137-T146 CarbonylContact C-O 3.48Å; G137-T146 WeakPolarHBondContact CA-O 3.44Å; G137-I180 WeakPolarHBondContact O-CG2 3.2Å
138T98.4Very high96.2Very high1 Ų120.6 Ų20.61%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-119.3143.8177.956.90000110.2L95 L123 F126 C145 T146 W148L95-T138 HydrophobicContact CB-CG2 4.05Å; L95-T138 HydrophobicContact CD1-CG2 4.49Å; L95-T138 HydrophobicContact CD2-CG2 3.54Å; L95-T138 HydrophobicContact CG-CG2 4.24Å; L123-T138 HydrophobicContact CD1-CG2 3.84Å; F126-T138 HydrophobicContact CB-CG2 3.79Å; T138-C145 CarbonylContact O-C 3.53Å; T138-C145 VanDerWaalsContact O-CA 3.26Å; T138-C145 WeakPolarHBondContact O-CA 3.41Å; T138-T146 PolarHBondContact N-O 3.06Å; T138-T146 PolarHBondContact O-N 3.34Å; T138-T146 PolarHBondContact OG1-O 2.93Å; T138-W148 VanDerWaalsContact CG2-NE1 3.32Å; T138-W148 PolarHBondContact OG1-NE1 3.37Å
139S98.3Very high96.1Very high0 Ų020.8 Ų20.80%012%0.115CC..EExtended strand (participates in β ladder)trans-107.6151.5170.156.60000110.6L123 T124 S125L123-S139 CarbonylContact C-O 3.57Å; L123-S139 WeakPolarHBondContact CA-O 3.42Å; T124-S139 PolarHBondContact N-O 2.82Å; T124-S139 VanDerWaalsContact OG1-C 3.3Å; T124-S139 WeakPolarHBondContact OG1-CB 3.46Å; T124-S139 PolarHBondContact OG1-O 2.97Å; T124-S139 PolarHBondContact OG1-OG 2.74Å; S125-S139 WeakPolarHBondContact CB-OG 3.47Å; S125-S139 PolarHBondContact N-OG 2.98Å; S125-S139 PolarHBondContact O-N 2.94Å; S125-S139 PolarHBondContact O-OG 2.72Å
140S97Very high96Very high4 Ų421.1 Ų21.13%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-140.7156.7-175.7175.50000111.5A121 D142 T143 T144 V177A121-S140 WeakPolarHBondContact CB-OG 3.28Å; S140-D142 WeakPolarHBondContact CB-OD1 3.3Å; S140-D142 PolarHBondContact O-N 3.44Å; S140-D142 PolarHBondContact OG-N 2.94Å; S140-D142 PolarHBondContact OG-OD1 2.92Å; S140-D142 PolarHBondContact OG-OD2 3.21Å; S140-T143 PolarHBondContact O-N 2.83Å; S140-T144 PolarHBondContact N-O 2.78Å; S140-T144 VanDerWaalsContact N-O 3.17Å; S140-V177 PolarHBondContact O-N 2.8Å; S140-V177 VanDerWaalsContact O-N 3.08Å
141I95.9Very high95.7Very high74 Ų7423.8 Ų23.838%0.37913%0.129SC..THydrogen-bonded Turntrans-66.1-17.2171.863.6169.3000112.3A121 P122 T124 T143 E176A121-I141 HydrophobicContact CB-CG1 3.99Å; P122-I141 HydrophobicContact CG-CD1 3.78Å; P122-I141 HydrophobicContact CG-CG1 4.19Å; T124-I141 HydrophobicContact CG2-CG2 3.42Å; T124-I141 VanDerWaalsContact CG2-CG2 3.42Å; I141-T143 PolarHBondContact O-N 2.91Å; I141-E176 HydrophobicContact CB-CB 4.41Å; I141-E176 HydrophobicContact CB-CG 3.89Å; I141-E176 HydrophobicContact CG2-CG 4.27Å; I141-E176 WeakPolarHBondContact O-CG 3.25Å
142D95Very high94.9Very high64 Ų6420.7 Ų20.734%0.34211%0.11SC..THydrogen-bonded Turntrans-76.518.2177.267.813.9000114.5A121 S140 T144A121-D142 HydrophobicContact CB-CB 3.67Å; S140-D142 WeakPolarHBondContact CB-OD1 3.3Å; S140-D142 PolarHBondContact O-N 3.44Å; S140-D142 PolarHBondContact OG-N 2.94Å; S140-D142 PolarHBondContact OG-OD1 2.92Å; S140-D142 PolarHBondContact OG-OD2 3.21Å; D142-T144 PolarHBondContact O-N 3.33Å; D142-T144 VanDerWaalsContact OD1-CB 3.29Å; D142-T144 WeakPolarHBondContact OD1-CB 3.23Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.29Å; D142-T144 PolarHBondContact OD1-N 3.07Å; D142-T144 PolarHBondContact OD1-OG1 3.15Å
143T96.6Very high93.6Very high38 Ų3820.9 Ų20.923%0.23312%0.118CC..SBendtrans71.90.9-178.578.70000115.3S140 I141 A172 H173 K175 V177S140-T143 PolarHBondContact O-N 2.83Å; I141-T143 PolarHBondContact O-N 2.91Å; T143-A172 PolarHBondContact O-N 2.7Å; T143-H173 WeakPolarHBondContact CB-O 3.27Å; T143-H173 PolarHBondContact O-N 2.97Å; T143-K175 WeakPolarHBondContact CA-O 3.4Å; T143-K175 WeakPolarHBondContact CB-O 3.32Å; T143-K175 WeakPolarHBondContact CG2-O 3.23Å; T143-V177 WeakPolarHBondContact O-CG2 3.47Å
144T96.4Very high91.9Very high15 Ų1526.1 Ų26.19%0.09214%0.141CC..EExtended strand (participates in β ladder)trans-101.1150.3-174.174.70000114.6S140 D142 Q169 L170 I171S140-T144 PolarHBondContact N-O 2.78Å; S140-T144 VanDerWaalsContact N-O 3.17Å; D142-T144 PolarHBondContact O-N 3.33Å; D142-T144 VanDerWaalsContact OD1-CB 3.29Å; D142-T144 WeakPolarHBondContact OD1-CB 3.23Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.29Å; D142-T144 PolarHBondContact OD1-N 3.07Å; D142-T144 PolarHBondContact OD1-OG1 3.15Å; T144-Q169 HydrophobicContact CG2-CG 4.41Å; T144-Q169 PolarHBondContact OG1-NE2 3.26Å; T144-L170 CarbonylContact C-O 3.57Å; T144-L170 WeakPolarHBondContact CA-O 3.14Å; T144-L170 VanDerWaalsContact CB-O 3.24Å; T144-L170 WeakPolarHBondContact CB-O 3.44Å; T144-I171 HydrophobicContact CG2-CG1 4.35Å
145C97.6Very high89.9Confident0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-107.4132.9158-72.20000109.2T138 Q169 L170 A172 I180 F192T138-C145 CarbonylContact O-C 3.53Å; T138-C145 VanDerWaalsContact O-CA 3.26Å; T138-C145 WeakPolarHBondContact O-CA 3.41Å; C145-Q169 WeakPolarHBondContact O-CA 3.27Å; C145-L170 HydrophobicContact CB-CD2 4.41Å; C145-L170 HydrophobicContact CB-CG 4.38Å; C145-L170 PolarHBondContact N-O 2.87Å; C145-L170 PolarHBondContact O-N 3.23Å; C145-A172 HydrophobicContact CB-CB 4.08Å; C145-A172 VanDerWaalsContact SG-CB 3.56Å; C145-I180 HydrophobicContact CB-CD1 4.12Å; C145-F192 HydrophobicContact CB-CE2 4.3Å
146T97.3Very high87.6Confident8 Ų837.9 Ų37.95%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-115.3129.7175.2-54.80000109.9G137 T138 W148 V166 Q169G137-T146 CarbonylContact C-O 3.48Å; G137-T146 WeakPolarHBondContact CA-O 3.44Å; T138-T146 PolarHBondContact N-O 3.06Å; T138-T146 PolarHBondContact O-N 3.34Å; T138-T146 PolarHBondContact OG1-O 2.93Å; T146-W148 HydrophobicContact CG2-CD2 4.09Å; T146-W148 HydrophobicContact CG2-CH2 4.22Å; T146-W148 HydrophobicContact CG2-CZ2 3.59Å; T146-V166 HydrophobicContact CG2-CG1 3.92Å; T146-V166 HydrophobicContact CG2-CG2 4.34Å; T146-Q169 HydrophobicContact CG2-CB 4.35Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.28Å
147I97.6Very high85.4Confident0 Ų041.7 Ų41.70%025%0.246CC..EExtended strand (participates in β ladder)trans-103.8127.8176.1-50.5-63.3000108.4L136 K167 T168 I180 F182 F192 L206L136-I147 CarbonylContact O-C 3.59Å; L136-I147 WeakPolarHBondContact O-CA 3.27Å; I147-K167 HydrophobicContact CG2-CB 4.44Å; I147-K167 HydrophobicContact CG2-CD 4.33Å; I147-K167 WeakPolarHBondContact O-CA 3.32Å; I147-K167 WeakPolarHBondContact O-CB 3.42Å; I147-K167 PolarHBondContact O-N 2.93Å; I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.68Å; I147-T168 PolarHBondContact N-O 3.35Å; I147-T168 PolarHBondContact O-N 3.09Å; I147-I180 HydrophobicContact CD1-CD1 4.29Å; I147-F182 HydrophobicContact CD1-CZ 4.19Å; I147-F192 HydrophobicContact CD1-CD1 4.24Å; I147-F192 HydrophobicContact CD1-CE1 3.99Å; I147-F192 HydrophobicContact CD1-CZ 4.31Å; I147-F192 HydrophobicContact CG1-CE1 4.48Å; I147-L206 HydrophobicContact CD1-CD2 4.16Å; I147-L206 HydrophobicContact CG1-CD2 3.71Å; I147-L206 HydrophobicContact CG2-CD1 4.32Å; I147-L206 HydrophobicContact CG2-CD2 4.36Å
148W97.2Very high83.1Confident8 Ų851.8 Ų51.83%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-109.2135.7-175.3-55.190.6000110L95 L111 N113 L135 L136 T138 T146 H165 V166L95-W148 HydrophobicContact CD2-CG 4.28Å; L111-W148 HydrophobicContact CB-CD2 4.05Å; L111-W148 HydrophobicContact CB-CE3 3.81Å; L111-W148 HydrophobicContact CB-CH2 4.11Å; L111-W148 HydrophobicContact CB-CZ2 4.36Å; L111-W148 HydrophobicContact CB-CZ3 3.82Å; L111-W148 HydrophobicContact CD1-CB 3.92Å; L111-W148 HydrophobicContact CD1-CD2 3.99Å; L111-W148 HydrophobicContact CD1-CE3 4.15Å; L111-W148 HydrophobicContact CD1-CG 3.9Å; L111-W148 HydrophobicContact CD2-CD2 4.26Å; L111-W148 HydrophobicContact CD2-CE3 3.56Å; L111-W148 HydrophobicContact CD2-CZ3 3.99Å; L111-W148 HydrophobicContact CG-CD2 4.34Å; L111-W148 HydrophobicContact CG-CE3 4.04Å; L111-W148 HydrophobicContact CG-CZ3 4.45Å; N113-W148 HydrophobicContact CB-CH2 3.95Å; L135-W148 WeakPolarHBondContact CA-O 3.17Å; L136-W148 HydrophobicContact CB-CB 4.42Å; L136-W148 PolarHBondContact N-O 3.46Å; L136-W148 VanDerWaalsContact N-O 3.15Å; L136-W148 PolarHBondContact O-N 2.86Å; T138-W148 VanDerWaalsContact CG2-NE1 3.32Å; T138-W148 PolarHBondContact OG1-NE1 3.37Å; T146-W148 HydrophobicContact CG2-CD2 4.09Å; T146-W148 HydrophobicContact CG2-CH2 4.22Å; T146-W148 HydrophobicContact CG2-CZ2 3.59Å; W148-H165 WeakPolarHBondContact CA-O 3.43Å; W148-V166 HydrophobicContact CE3-CG2 3.84Å; W148-V166 HydrophobicContact CH2-CG2 3.76Å; W148-V166 HydrophobicContact CZ3-CB 4.43Å; W148-V166 HydrophobicContact CZ3-CG2 3.3Å
149G95.2Very high80.9Confident6 Ų658.1 Ų58.16%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-98125165.600000109.7N134 G164 H165N134-G149 CarbonylContact O-C 3.57Å; N134-G149 WeakPolarHBondContact O-CA 3.36Å; G149-G164 CarbonylContact O-C 3.57Å; G149-G164 WeakPolarHBondContact O-CA 3.42Å; G149-H165 PolarHBondContact N-O 3.4Å; G149-H165 PolarHBondContact O-N 3.1Å; G149-H165 PolarHBondContact O-ND1 2.83Å
150L93.4Very high79.2Confident7 Ų763 Ų634%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-99.3139.2170.6-67.7-172.8000110.7I97 L111 W128 N134 L136 T152 V162 S163I97-L150 HydrophobicContact CD1-CD1 4.21Å; I97-L150 HydrophobicContact CG1-CD1 4.25Å; I97-L150 HydrophobicContact CG1-CD2 4.23Å; L111-L150 HydrophobicContact CD1-CD2 3.93Å; L111-L150 HydrophobicContact CD2-CD2 4.42Å; W128-L150 HydrophobicContact CZ2-CD1 3.81Å; N134-L150 VanDerWaalsContact CB-O 3.27Å; N134-L150 WeakPolarHBondContact CB-O 3.17Å; N134-L150 PolarHBondContact O-N 2.78Å; N134-L150 PolarHBondContact OD1-O 2.82Å; L136-L150 HydrophobicContact CD1-CD1 3.22Å; L136-L150 HydrophobicContact CD1-CD2 4.39Å; L136-L150 HydrophobicContact CD1-CG 3.5Å; L136-L150 VanDerWaalsContact CD1-CG 3.5Å; L150-T152 HydrophobicContact CB-CG2 3.99Å; L150-T152 HydrophobicContact CD1-CG2 4.18Å; L150-V162 HydrophobicContact CD2-CG1 4.3Å; L150-S163 WeakPolarHBondContact CA-O 3.44Å
151E89.3Confident78.1Confident122 Ų12268.8 Ų68.857%0.5738%0.379SS*.EExtended strand (participates in β ladder)trans-100.879.1165.6-63.2178.216700107.6G153 S163E151-G153 PolarHBondContact O-N 2.83Å; E151-S163 PolarHBondContact N-O 2.82Å; E151-S163 PolarHBondContact OE2-OG 3.22Å
152T76.3Confident77.5Confident7 Ų765.4 Ų65.44%0.04336%0.362CS..  trans-74.8109.1171.563.90000106.9Y84 L87 N134 L150 Q154 V162Y84-T152 WeakPolarHBondContact CD1-OG1 3.46Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.33Å; L87-T152 HydrophobicContact CD1-CG2 3.85Å; N134-T152 PolarHBondContact OD1-OG1 3.41Å; L150-T152 HydrophobicContact CB-CG2 3.99Å; L150-T152 HydrophobicContact CD1-CG2 4.18Å; T152-Q154 PolarHBondContact O-N 2.89Å; T152-V162 HydrophobicContact CG2-CG1 4.25Å
153G64.9Low77.2Confident28 Ų2864.6 Ų64.629%0.28936%0.361SS..  trans-54.4101-179.300000110.4E151E151-G153 PolarHBondContact O-N 2.83Å
154Q59.3Low77Confident123 Ų12364.1 Ų64.158%0.57536%0.363SS*.  trans-71.3138.7178-75.7-172.1-14.800108.7Y84 T152Y84-Q154 HydrophobicContact CD1-CG 4.48Å; Y84-Q154 HydrophobicContact CE1-CG 3.9Å; Y84-Q154 PolarHBondContact OH-NE2 3.24Å; T152-Q154 PolarHBondContact O-N 2.89Å
155V50.8Low76.8Confident111 Ų11167.7 Ų67.767%0.67338%0.379SS*.SBendtrans97.7120.3174.1-1670000116G157V155-G157 PolarHBondContact O-N 3.15Å
156L48Very low76.7Confident179 Ų17970.3 Ų70.394%0.93740%0.395SS*.THydrogen-bonded Turntrans-37.3117.7161.7-80.7147.2000111.7
157G50.8Low76.6Confident80 Ų8074.4 Ų74.483%0.82541%0.412SS*.THydrogen-bonded Turntrans111.10.5168.500000117V155V155-G157 PolarHBondContact O-N 3.15Å
158R49.3Very low76.4Confident212 Ų21276.2 Ų76.280%0.842%0.423SS*.  trans-119.4127.5166.6-75.8-171.4177.1-164.9-0.1112N160R158-N160 PolarHBondContact O-N 2.78Å
159V52.7Low76.3Confident134 Ų13479.8 Ų79.881%0.81244%0.44SS*.  trans-8338.3-172.2-157.80000111.7L161V159-L161 PolarHBondContact O-N 3.36Å
160N63.2Low76.3Confident104 Ų10480.5 Ų80.556%0.55644%0.442SS*.PPolyproline II helixtrans-72.4127179.2-71.5-2000108.8R158R158-N160 PolarHBondContact O-N 2.78Å
161L72.7Confident76.5Confident124 Ų12486 Ų8665%0.64947%0.471SS*.PPolyproline II helixtrans-59.4141.4172.7-72.5160.4000109.3V159 S163V159-L161 PolarHBondContact O-N 3.36Å; L161-S163 PolarHBondContact O-N 3.24Å
162V84.8Confident76.8Confident4 Ų480.3 Ų80.32%0.02444%0.444CS..PPolyproline II helixtrans-67.1120.5171.1-179.20000108L87 E108 C109 L150 T152L87-V162 HydrophobicContact CD1-CG2 3.99Å; L87-V162 HydrophobicContact CD2-CG2 4.17Å; E108-V162 HydrophobicContact CB-CB 4.09Å; E108-V162 HydrophobicContact CB-CG2 4.39Å; E108-V162 HydrophobicContact CG-CG2 4.44Å; E108-V162 PolarHBondContact OE2-N 3.27Å; C109-V162 HydrophobicContact CB-CG1 4.42Å; C109-V162 WeakPolarHBondContact CB-O 3.06Å; L150-V162 HydrophobicContact CD2-CG1 4.3Å; T152-V162 HydrophobicContact CG2-CG1 4.25Å
163S88.4Confident77.9Confident47 Ų4780 Ų8033%0.32944%0.442SS..EExtended strand (participates in β ladder)trans-105.515917294.10000109.3L150 E151 L161L150-S163 WeakPolarHBondContact CA-O 3.44Å; E151-S163 PolarHBondContact N-O 2.82Å; E151-S163 PolarHBondContact OE2-OG 3.22Å; L161-S163 PolarHBondContact O-N 3.24Å
164G91.6Very high79.3Confident27 Ų2784.6 Ų84.628%0.27846%0.46SS..EExtended strand (participates in β ladder)trans-148.1151174.600000111.9G149G149-G164 CarbonylContact O-C 3.57Å; G149-G164 WeakPolarHBondContact O-CA 3.42Å
165H92.6Very high81.1Confident91 Ų9184 Ų8442%0.42146%0.456SS..EExtended strand (participates in β ladder)trans-139.8155.3-178.761.8-85.5000110.7W148 G149 K167W148-H165 WeakPolarHBondContact CA-O 3.43Å; G149-H165 PolarHBondContact N-O 3.4Å; G149-H165 PolarHBondContact O-N 3.1Å; G149-H165 PolarHBondContact O-ND1 2.83Å; H165-K167 PolarHBondContact O-N 3.15Å
166V95Very high83.4Confident54 Ų5482.5 Ų82.533%0.32744%0.441SS..EExtended strand (participates in β ladder)trans-70.3116.4170.3179.40000107.6N113 T146 W148N113-V166 HydrophobicContact CB-CG2 4.27Å; T146-V166 HydrophobicContact CG2-CG1 3.92Å; T146-V166 HydrophobicContact CG2-CG2 4.34Å; W148-V166 HydrophobicContact CE3-CG2 3.84Å; W148-V166 HydrophobicContact CH2-CG2 3.76Å; W148-V166 HydrophobicContact CZ3-CB 4.43Å; W148-V166 HydrophobicContact CZ3-CG2 3.3Å
167K94.8Very high85.8Confident94 Ų9474 Ų7441%0.40940%0.397SS..EExtended strand (participates in β ladder)trans-81.4-44173.3179175.7176.7177.20110.3L135 I147 H165L135-K167 HydrophobicContact CD2-CD 3.79Å; I147-K167 HydrophobicContact CG2-CB 4.44Å; I147-K167 HydrophobicContact CG2-CD 4.33Å; I147-K167 WeakPolarHBondContact O-CA 3.32Å; I147-K167 WeakPolarHBondContact O-CB 3.42Å; I147-K167 PolarHBondContact O-N 2.93Å; H165-K167 PolarHBondContact O-N 3.15Å
168T94.9Very high88.1Confident38 Ų3872.7 Ų72.723%0.23337%0.367CS..EExtended strand (participates in β ladder)trans-161.4156.3175-174.60000110.1I147 L206 L209I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.68Å; I147-T168 PolarHBondContact N-O 3.35Å; I147-T168 PolarHBondContact O-N 3.09Å; T168-L206 HydrophobicContact CG2-CD2 4.45Å; T168-L209 HydrophobicContact CG2-CD1 3.74Å; T168-L209 WeakPolarHBondContact OG1-CD1 3.19Å
169Q94.9Very high90.4Very high83 Ų8362.8 Ų62.839%0.38833%0.33SS..EExtended strand (participates in β ladder)trans-135.7137.7170.1-178.3-176.621.800107.8N113 T144 C145 T146N113-Q169 PolarHBondContact ND2-NE2 2.92Å; N113-Q169 PolarHBondContact ND2-OE1 3.34Å; T144-Q169 HydrophobicContact CG2-CG 4.41Å; T144-Q169 PolarHBondContact OG1-NE2 3.26Å; C145-Q169 WeakPolarHBondContact O-CA 3.27Å; T146-Q169 HydrophobicContact CG2-CB 4.35Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.28Å
170L95.5Very high92.6Very high22 Ų2256.4 Ų56.412%0.11529%0.292CS..EExtended strand (participates in β ladder)trans-136.6151.8178.961.6137.2000110.9T144 C145 A172 F192 F204 L209T144-L170 CarbonylContact C-O 3.57Å; T144-L170 WeakPolarHBondContact CA-O 3.14Å; T144-L170 VanDerWaalsContact CB-O 3.24Å; T144-L170 WeakPolarHBondContact CB-O 3.44Å; C145-L170 HydrophobicContact CB-CD2 4.41Å; C145-L170 HydrophobicContact CB-CG 4.38Å; C145-L170 PolarHBondContact N-O 2.87Å; C145-L170 PolarHBondContact O-N 3.23Å; L170-A172 HydrophobicContact CD1-CB 4.28Å; L170-A172 PolarHBondContact O-N 3.24Å; L170-F192 HydrophobicContact CD1-CZ 4.37Å; L170-F192 HydrophobicContact CD2-CZ 4.07Å; L170-F204 HydrophobicContact CD1-CD1 3.42Å; L170-F204 VanDerWaalsContact CD1-CD1 3.42Å; L170-F204 HydrophobicContact CD1-CE1 3.34Å; L170-F204 HydrophobicContact CD1-CG 4.28Å; L170-F204 HydrophobicContact CD1-CZ 4.19Å; L170-L209 HydrophobicContact CD2-CD2 4.1Å
171I95.9Very high94.3Very high123 Ų12351.8 Ų51.863%0.63127%0.268SS*.EExtended strand (participates in β ladder)trans-75.1111.8163.9-61.4171.5000106.1T144 H173T144-I171 HydrophobicContact CG2-CG1 4.35Å; I171-H173 WeakPolarHBondContact CG2-O 3.27Å
172A97.1Very high95.5Very high2 Ų246.1 Ų46.12%0.01724%0.238CC..  trans-90.1-39.3-174.600000111.5T143 C145 L170 V177 R202 F204T143-A172 PolarHBondContact O-N 2.7Å; C145-A172 HydrophobicContact CB-CB 4.08Å; C145-A172 VanDerWaalsContact SG-CB 3.56Å; L170-A172 HydrophobicContact CD1-CB 4.28Å; L170-A172 PolarHBondContact O-N 3.24Å; A172-V177 HydrophobicContact CB-CG2 4.13Å; A172-R202 WeakPolarHBondContact O-CD 3.37Å; A172-R202 PolarHBondContact O-NH1 2.88Å; A172-R202 VanDerWaalsContact O-NH1 3.08Å; A172-F204 HydrophobicContact CB-CE1 4.37Å; A172-F204 HydrophobicContact CB-CE2 4.36Å; A172-F204 HydrophobicContact CB-CZ 3.77Å
173H97.8Very high96Very high0 Ų046 Ų460%024%0.237CC..  trans-131.4168-176.1-71-97.5000111.1T143 I171 K175 V177 S194 D198 S200T143-H173 WeakPolarHBondContact CB-O 3.27Å; T143-H173 PolarHBondContact O-N 2.97Å; I171-H173 WeakPolarHBondContact CG2-O 3.27Å; H173-K175 VanDerWaalsContact C-N 3.27Å; H173-K175 WeakPolarHBondContact CB-O 3.4Å; H173-V177 HydrophobicContact CB-CG2 4.16Å; H173-S194 PolarHBondContact CD2-OG 2.87Å; H173-S194 PolarHBondContact NE2-O 2.88Å; H173-S194 PolarHBondContact NE2-OG 2.9Å; H173-D198 IonicContact CE1-OD1 3.58Å; H173-D198 IonicContact CG-OD1 3.43Å; H173-D198 IonicContact CG-OD2 3.79Å; H173-D198 VanDerWaalsContact ND1-CG 3.28Å; H173-D198 IonicContact ND1-OD1 2.89Å; H173-D198 PolarHBondContact ND1-OD1 2.92Å; H173-D198 IonicContact ND1-OD2 3.78Å; H173-D198 PolarHBondContact ND1-OD2 2.87Å; H173-S200 PolarHBondContact CE1-O 3.08Å; H173-S200 PolarHBondContact CE1-OG 3.37Å; H173-S200 VanDerWaalsContact CE1-OG 3.29Å; H173-S200 PolarHBondContact ND1-OG 2.91Å
174D95.4Very high96.1Very high125 Ų12549.4 Ų49.467%0.66824%0.243SC*.SBendtrans-86.6-3.1175.9-54.9-57.9000112.4R202D174-R202 IonicContact OD2-CZ 2.58Å; D174-R202 IonicContact OD2-NH1 3.65Å; D174-R202 IonicContact OD2-NH2 3.82Å; D174-R202 PolarHBondContact OD2-NH2 3.29Å
175K97.8Very high95.9Very high110 Ų11049.2 Ų49.248%0.47824%0.239SC..SBendtrans-141.7-176.1176.2-63.5-172.4-176.8172.90110.2T143 H173 V177 A197 D198T143-K175 WeakPolarHBondContact CA-O 3.4Å; T143-K175 WeakPolarHBondContact CB-O 3.32Å; T143-K175 WeakPolarHBondContact CG2-O 3.23Å; H173-K175 VanDerWaalsContact C-N 3.27Å; H173-K175 WeakPolarHBondContact CB-O 3.4Å; K175-V177 PolarHBondContact O-N 2.99Å; K175-A197 HydrophobicContact CB-CB 3.84Å; K175-A197 HydrophobicContact CD-CB 4.16Å; K175-A197 WeakPolarHBondContact CD-O 3.4Å; K175-D198 HydrophobicContact CB-CB 4.41Å; K175-D198 HydrophobicContact CD-CB 4.5Å; K175-D198 HydrophobicContact CG-CB 4.43Å
176E98.1Very high95.2Very high79 Ų7948.1 Ų48.137%0.36925%0.252SS..  trans-48.8134.9179.9-62.876.6-176.600111.8I141 Y178 G196 A197I141-E176 HydrophobicContact CB-CB 4.41Å; I141-E176 HydrophobicContact CB-CG 3.89Å; I141-E176 HydrophobicContact CG2-CG 4.27Å; I141-E176 WeakPolarHBondContact O-CG 3.25Å; E176-Y178 HydrophobicContact CB-CD1 4.31Å; E176-Y178 HydrophobicContact CB-CE1 3.71Å; E176-Y178 HydrophobicContact CG-CE1 4.48Å; E176-G196 CarbonylContact O-C 3.47Å; E176-G196 WeakPolarHBondContact O-CA 3.45Å; E176-A197 HydrophobicContact CB-CB 4.16Å; E176-A197 PolarHBondContact O-N 2.94Å; E176-A197 WeakPolarHBondContact OE2-CB 3.27Å
177V98.6Very high94.6Very high0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-94128.1173.6-167.40000108.1T124 S140 T143 A172 H173 K175 V195T124-V177 WeakPolarHBondContact CB-O 3.37Å; T124-V177 VanDerWaalsContact CG2-O 3.3Å; T124-V177 WeakPolarHBondContact CG2-O 3.42Å; T124-V177 PolarHBondContact OG1-O 3.05Å; S140-V177 PolarHBondContact O-N 2.8Å; S140-V177 VanDerWaalsContact O-N 3.08Å; T143-V177 WeakPolarHBondContact O-CG2 3.47Å; A172-V177 HydrophobicContact CB-CG2 4.13Å; H173-V177 HydrophobicContact CB-CG2 4.16Å; K175-V177 PolarHBondContact O-N 2.99Å; V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.26Å
178Y98.4Very high94.1Very high54 Ų5443.9 Ų43.921%0.21225%0.246CC..EExtended strand (participates in β ladder)trans-103.5-28.6-174.8-67.2-35.9000114.6T124 S125 E176 V195 A197 P223 L224 L225 R226T124-Y178 HydrophobicContact CG2-CD1 4.29Å; S125-Y178 WeakPolarHBondContact CB-O 3.28Å; E176-Y178 HydrophobicContact CB-CD1 4.31Å; E176-Y178 HydrophobicContact CB-CE1 3.71Å; E176-Y178 HydrophobicContact CG-CE1 4.48Å; Y178-V195 PolarHBondContact N-O 3.26Å; Y178-A197 HydrophobicContact CE2-CB 3.75Å; Y178-P223 HydrophobicContact CE2-CB 3.94Å; Y178-L224 WeakPolarHBondContact CD2-O 3.45Å; Y178-L225 HydrophobicContact CD2-CD2 3.64Å; Y178-L225 HydrophobicContact CE2-CD2 3.92Å; Y178-L225 HydrophobicContact CG-CD2 4.21Å; Y178-R226 PolarHBondContact O-NH1 2.85Å
179D98.6Very high93.8Very high4 Ų447.9 Ų47.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-150157.3175.6-155.49.9000112K73 S125 S194 V195 R226 L227K73-D179 IonicContact NZ-OD1 2.72Å; K73-D179 PolarHBondContact NZ-OD1 2.84Å; S125-D179 VanDerWaalsContact CB-OD1 3.23Å; S125-D179 WeakPolarHBondContact CB-OD1 3.44Å; S125-D179 PolarHBondContact OG-OD1 2.88Å; D179-S194 WeakPolarHBondContact O-CA 3.47Å; D179-S194 WeakPolarHBondContact O-CB 3.39Å; D179-V195 HydrophobicContact CB-CG2 3.7Å; D179-V195 PolarHBondContact N-O 2.78Å; D179-V195 PolarHBondContact O-N 3.38Å; D179-R226 WeakPolarHBondContact OD2-CA 3.36Å; D179-R226 VanDerWaalsContact OD2-CD 3.27Å; D179-R226 WeakPolarHBondContact OD2-CD 3.47Å; D179-L227 PolarHBondContact OD2-N 2.81Å; D179-L227 VanDerWaalsContact OD2-N 3.1Å
180I98.7Very high93.7Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-139.7139.5176-174.5174.3000107.9D127 G137 C145 I147 F192 A193D127-I180 WeakPolarHBondContact CB-O 3.43Å; G137-I180 WeakPolarHBondContact O-CG2 3.2Å; C145-I180 HydrophobicContact CB-CD1 4.12Å; I147-I180 HydrophobicContact CD1-CD1 4.29Å; I180-F192 HydrophobicContact CD1-CD2 3.63Å; I180-F192 HydrophobicContact CD1-CE2 3.82Å; I180-F192 HydrophobicContact CD1-CG 4.3Å; I180-F192 HydrophobicContact CG1-CD2 3.67Å; I180-F192 HydrophobicContact CG1-CE2 4.24Å; I180-F192 HydrophobicContact CG1-CG 4.42Å; I180-A193 CarbonylContact C-O 3.51Å; I180-A193 WeakPolarHBondContact CA-O 3.16Å
181A98.4Very high93.7Very high7 Ų745.5 Ų45.56%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-147.3136.9167.400000112.9D127 F192 A193 L227 W229D127-A181 HydrophobicContact CB-CB 4.38Å; D127-A181 VanDerWaalsContact OD2-CA 3.32Å; D127-A181 WeakPolarHBondContact OD2-CA 3.26Å; A181-F192 WeakPolarHBondContact O-CA 3.3Å; A181-F192 WeakPolarHBondContact O-CB 3.27Å; A181-A193 PolarHBondContact N-O 2.79Å; A181-A193 PolarHBondContact O-N 2.87Å; A181-L227 HydrophobicContact CB-CD1 3.35Å; A181-L227 HydrophobicContact CB-CG 4.31Å; A181-W229 PolarHBondContact O-NE1 2.82Å
182F97.9Very high93.8Very high5 Ų539.6 Ų39.62%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-68.7133.2172.9-73.1-77.4000110.4D127 N129 I147 F192 L206D127-F182 HydrophobicContact CB-CD2 4.19Å; D127-F182 PolarHBondContact OD2-N 2.97Å; N129-F182 HydrophobicContact CB-CB 4.47Å; N129-F182 HydrophobicContact CB-CD1 4.27Å; N129-F182 HydrophobicContact CB-CD2 3.77Å; N129-F182 HydrophobicContact CB-CE1 4.47Å; N129-F182 HydrophobicContact CB-CE2 3.98Å; N129-F182 HydrophobicContact CB-CG 3.92Å; N129-F182 HydrophobicContact CB-CZ 4.34Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.01Å; I147-F182 HydrophobicContact CD1-CZ 4.19Å; F182-F192 HydrophobicContact CD1-CB 3.84Å; F182-F192 HydrophobicContact CE1-CB 4.22Å; F182-F192 HydrophobicContact CG-CB 4.35Å; F182-L206 HydrophobicContact CE1-CD1 4.37Å
183S95.1Very high93.8Very high1 Ų139.6 Ų39.61%0.00722%0.216CC..  trans-84.3150.2171.8-171.40000109.7A185 G188 M191 W229S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 VanDerWaalsContact OG-CB 3.23Å; S183-A185 WeakPolarHBondContact OG-CB 3.47Å; S183-A185 PolarHBondContact OG-N 2.77Å; S183-G188 CarbonylContact O-C 3.49Å; S183-G188 WeakPolarHBondContact O-CA 3.45Å; S183-M191 PolarHBondContact N-O 2.87Å; S183-W229 VanDerWaalsContact CB-CZ2 3.5Å
184R91.6Very high93.8Very high118 Ų11839.6 Ų39.645%0.44522%0.216SC..  trans-87.9-1.6165.8-65.417868.2137.2-4.9112.5E130 G188 P234E130-R184 WeakPolarHBondContact OE2-CD 3.44Å; E130-R184 IonicContact OE2-CZ 3.61Å; E130-R184 IonicContact OE2-NH1 2.78Å; E130-R184 PolarHBondContact OE2-NH1 2.74Å; R184-G188 PolarHBondContact O-N 2.88Å; R184-P234 HydrophobicContact CB-CB 4.18Å
185A85.9Confident94Very high24 Ų2433.6 Ų33.620%0.19818%0.184CC..G310 helixtrans-63.7152.6175.800000111.4S183 G187 G188 P234S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 VanDerWaalsContact OG-CB 3.23Å; S183-A185 WeakPolarHBondContact OG-CB 3.47Å; S183-A185 PolarHBondContact OG-N 2.77Å; A185-G187 PolarHBondContact O-N 3.25Å; A185-G187 VanDerWaalsContact O-N 3.15Å; A185-G188 PolarHBondContact O-N 3.19Å; A185-P234 HydrophobicContact CB-CB 4.21Å
186G78.9Confident94Very high67 Ų6728.4 Ų28.469%0.69116%0.161SC*.G310 helixtrans59.828.5173.800000114.9
187G82.2Confident94Very high58 Ų5825 Ų2560%0.59815%0.146SC*.G310 helixtrans91.9-4.8-175.900000114.2V131 A185 R189V131-G187 WeakPolarHBondContact CG1-O 3.3Å; A185-G187 PolarHBondContact O-N 3.25Å; A185-G187 VanDerWaalsContact O-N 3.15Å; G187-R189 PolarHBondContact O-N 3.05Å; G187-R189 VanDerWaalsContact O-N 3.09Å
188G83.6Confident94Very high1 Ų125.8 Ų25.81%0.0115%0.151CC..SBendtrans73.4-3.9165.600000117.7N129 S183 R184 A185N129-G188 PolarHBondContact ND2-O 3.01Å; N129-G188 PolarHBondContact OD1-O 2.93Å; S183-G188 CarbonylContact O-C 3.49Å; S183-G188 WeakPolarHBondContact O-CA 3.45Å; R184-G188 PolarHBondContact O-N 2.88Å; A185-G188 PolarHBondContact O-N 3.19Å
189R89.4Confident94Very high123 Ų12323.2 Ų23.246%0.46414%0.141SC..SBendtrans-84.5-37.1-179.9-171.3179.3-171.5-157.2-0.1113.2N129 D132 L135 G187N129-R189 PolarHBondContact ND2-O 2.75Å; D132-R189 HydrophobicContact CB-CG 4Å; D132-R189 IonicContact OD2-CZ 3.93Å; D132-R189 IonicContact OD2-NE 3.65Å; D132-R189 PolarHBondContact OD2-NE 2.97Å; D132-R189 IonicContact OD2-NH2 2.9Å; D132-R189 PolarHBondContact OD2-NH2 3.12Å; D132-R189 VanDerWaalsContact OD2-NH2 3.1Å; L135-R189 HydrophobicContact CD1-CG 4.2Å; G187-R189 PolarHBondContact O-N 3.05Å; G187-R189 VanDerWaalsContact O-N 3.09Å
190D92.8Very high94Very high28 Ų2823.1 Ų23.115%0.1514%0.14CC..SBendtrans-112.2-4.4-163-58.2-47.5000113.8D205 L206 R207D190-D205 CarbonylContact O-C 3.53Å; D190-D205 WeakPolarHBondContact O-CA 3.31Å; D190-L206 HydrophobicContact CB-CB 4.23Å; D190-L206 WeakPolarHBondContact O-CB 3.32Å; D190-L206 WeakPolarHBondContact O-CG 3.13Å; D190-L206 PolarHBondContact O-N 2.83Å; D190-R207 HydrophobicContact CB-CG 4.12Å; D190-R207 WeakPolarHBondContact OD2-CD 3.4Å; D190-R207 IonicContact OD2-NE 3.39Å; D190-R207 IonicContact OD2-NH1 3.94Å
191M95.2Very high93.9Very high26 Ų2623.1 Ų23.113%0.12814%0.14CC..EExtended strand (participates in β ladder)trans-111.5134.7-175.1-61.4-60.8-61.100111.2S183 M203 F204 D205S183-M191 PolarHBondContact N-O 2.87Å; M191-M203 HydrophobicContact CE-CE 3.85Å; M191-M203 HydrophobicContact CE-CG 3.78Å; M191-M203 HydrophobicContact CE-SD 3.91Å; M191-F204 WeakPolarHBondContact CA-O 3.36Å; M191-D205 HydrophobicContact CE-CB 4.19Å; M191-D205 HydrophobicContact SD-CB 3.48Å; M191-D205 WeakPolarHBondContact SD-CB 3.39Å; M191-D205 VanDerWaalsContact SD-CG 3.56Å
192F97.4Very high93.9Very high0 Ų024.2 Ų24.20%014%0.143CC..EExtended strand (participates in β ladder)trans-143.2162169.571.6-88.4000110.9C145 I147 L170 I180 A181 F182 M203 F204 L206C145-F192 HydrophobicContact CB-CE2 4.3Å; I147-F192 HydrophobicContact CD1-CD1 4.24Å; I147-F192 HydrophobicContact CD1-CE1 3.99Å; I147-F192 HydrophobicContact CD1-CZ 4.31Å; I147-F192 HydrophobicContact CG1-CE1 4.48Å; L170-F192 HydrophobicContact CD1-CZ 4.37Å; L170-F192 HydrophobicContact CD2-CZ 4.07Å; I180-F192 HydrophobicContact CD1-CD2 3.63Å; I180-F192 HydrophobicContact CD1-CE2 3.82Å; I180-F192 HydrophobicContact CD1-CG 4.3Å; I180-F192 HydrophobicContact CG1-CD2 3.67Å; I180-F192 HydrophobicContact CG1-CE2 4.24Å; I180-F192 HydrophobicContact CG1-CG 4.42Å; A181-F192 WeakPolarHBondContact O-CA 3.3Å; A181-F192 WeakPolarHBondContact O-CB 3.27Å; F182-F192 HydrophobicContact CD1-CB 3.84Å; F182-F192 HydrophobicContact CE1-CB 4.22Å; F182-F192 HydrophobicContact CG-CB 4.35Å; F192-M203 WeakPolarHBondContact O-CA 3.33Å; F192-F204 HydrophobicContact CD1-CB 4Å; F192-F204 HydrophobicContact CD2-CB 4.35Å; F192-F204 AromaticContact CD2-CD2 3.98Å; F192-F204 HydrophobicContact CD2-CD2 3.98Å; F192-F204 HydrophobicContact CD2-CG 4.48Å; F192-F204 HydrophobicContact CE1-CB 3.47Å; F192-F204 VanDerWaalsContact CE1-CB 3.47Å; F192-F204 HydrophobicContact CE1-CG 4.15Å; F192-F204 HydrophobicContact CE2-CB 3.88Å; F192-F204 AromaticContact CE2-CD2 3.4Å; F192-F204 HydrophobicContact CE2-CD2 3.4Å; F192-F204 VanDerWaalsContact CE2-CD2 3.4Å; F192-F204 HydrophobicContact CE2-CE2 4.11Å; F192-F204 AromaticContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CG-CB 4.41Å; F192-F204 HydrophobicContact CZ-CB 3.4Å; F192-F204 VanDerWaalsContact CZ-CB 3.4Å; F192-F204 HydrophobicContact CZ-CD1 4.25Å; F192-F204 AromaticContact CZ-CD2 3.75Å; F192-F204 HydrophobicContact CZ-CD2 3.75Å; F192-F204 AromaticContact CZ-CG 3.54Å; F192-F204 HydrophobicContact CZ-CG 3.54Å; F192-F204 PolarHBondContact N-O 3.32Å; F192-F204 VanDerWaalsContact N-O 3.12Å; F192-F204 PolarHBondContact O-N 3.43Å; F192-L206 HydrophobicContact CD1-CD2 3.93Å; F192-L206 HydrophobicContact CD1-CG 4.32Å; F192-L206 HydrophobicContact CE1-CD2 3.58Å; F192-L206 HydrophobicContact CE1-CG 4.38Å
193A98.2Very high93.9Very high1 Ų125.6 Ų25.61%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-121.1155.5169.700000110.6I180 A181 V201 R202 L227 W229 L237I180-A193 CarbonylContact C-O 3.51Å; I180-A193 WeakPolarHBondContact CA-O 3.16Å; A181-A193 PolarHBondContact N-O 2.79Å; A181-A193 PolarHBondContact O-N 2.87Å; A193-V201 HydrophobicContact CB-CG1 4.46Å; A193-R202 CarbonylContact C-O 3.57Å; A193-R202 WeakPolarHBondContact CA-O 3.37Å; A193-R202 WeakPolarHBondContact CB-O 3.08Å; A193-L227 HydrophobicContact CB-CD1 4.21Å; A193-L227 HydrophobicContact CB-CD2 4.26Å; A193-L227 WeakPolarHBondContact O-CD2 3.39Å; A193-W229 HydrophobicContact CB-CZ2 3.7Å; A193-L237 HydrophobicContact CB-CD2 4.42Å
194S98.6Very high94Very high0 Ų025.9 Ų25.90%015%0.151CC..EExtended strand (participates in β ladder)trans-134.6156.8171.362.10000111.3H173 D179 V201 R202 F204 L227H173-S194 PolarHBondContact CD2-OG 2.87Å; H173-S194 PolarHBondContact NE2-O 2.88Å; H173-S194 PolarHBondContact NE2-OG 2.9Å; D179-S194 WeakPolarHBondContact O-CA 3.47Å; D179-S194 WeakPolarHBondContact O-CB 3.39Å; S194-V201 WeakPolarHBondContact O-CA 3.12Å; S194-R202 PolarHBondContact N-O 2.84Å; S194-R202 PolarHBondContact O-N 3.07Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.25Å; S194-L227 VanDerWaalsContact CA-CD2 3.48Å
195V98.7Very high94.1Very high0 Ų021.5 Ų21.50%014%0.136CC..EExtended strand (participates in β ladder)trans-128.3153.3172.2-68.60000110.5V177 Y178 D179 S200 V201 L224 L227V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.26Å; Y178-V195 PolarHBondContact N-O 3.26Å; D179-V195 HydrophobicContact CB-CG2 3.7Å; D179-V195 PolarHBondContact N-O 2.78Å; D179-V195 PolarHBondContact O-N 3.38Å; V195-S200 WeakPolarHBondContact CA-O 3.32Å; V195-V201 HydrophobicContact CG1-CB 4.16Å; V195-V201 HydrophobicContact CG1-CG1 4.25Å; V195-V201 HydrophobicContact CG1-CG2 3.64Å; V195-L224 HydrophobicContact CB-CB 3.8Å; V195-L224 HydrophobicContact CG1-CB 4.07Å; V195-L224 HydrophobicContact CG1-CD1 4.3Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.42Å; V195-L227 HydrophobicContact CB-CD2 4.28Å; V195-L227 HydrophobicContact CG1-CB 4.02Å; V195-L227 HydrophobicContact CG1-CD2 3.77Å; V195-L227 HydrophobicContact CG2-CB 4.48Å; V195-L227 HydrophobicContact CG2-CD2 4.05Å
196G98.2Very high94.5Very high0 Ų021.4 Ų21.40%013%0.132CC..EExtended strand (participates in β ladder)trans-154.5-176.1-177.800000115.3E176 D198 G199 L224E176-G196 CarbonylContact O-C 3.47Å; E176-G196 WeakPolarHBondContact O-CA 3.45Å; G196-D198 PolarHBondContact O-N 2.85Å; G196-G199 PolarHBondContact O-N 3.18Å; G196-L224 PolarHBondContact O-N 2.91Å; G196-L224 VanDerWaalsContact O-N 3.09Å
197A98.4Very high95.2Very high7 Ų724.9 Ų24.96%0.05813%0.125CC..THydrogen-bonded Turntrans-69-7.9-179.900000114.4K175 E176 Y178K175-A197 HydrophobicContact CB-CB 3.84Å; K175-A197 HydrophobicContact CD-CB 4.16Å; K175-A197 WeakPolarHBondContact CD-O 3.4Å; E176-A197 HydrophobicContact CB-CB 4.16Å; E176-A197 PolarHBondContact O-N 2.94Å; E176-A197 WeakPolarHBondContact OE2-CB 3.27Å; Y178-A197 HydrophobicContact CE2-CB 3.75Å
198D97.8Very high95.7Very high18 Ų1828 Ų2810%0.09612%0.123CC..THydrogen-bonded Turntrans-79.8-417069.41.8000113H173 K175 G196 S200 R202H173-D198 IonicContact CE1-OD1 3.58Å; H173-D198 IonicContact CG-OD1 3.43Å; H173-D198 IonicContact CG-OD2 3.79Å; H173-D198 VanDerWaalsContact ND1-CG 3.28Å; H173-D198 IonicContact ND1-OD1 2.89Å; H173-D198 PolarHBondContact ND1-OD1 2.92Å; H173-D198 IonicContact ND1-OD2 3.78Å; H173-D198 PolarHBondContact ND1-OD2 2.87Å; K175-D198 HydrophobicContact CB-CB 4.41Å; K175-D198 HydrophobicContact CD-CB 4.5Å; K175-D198 HydrophobicContact CG-CB 4.43Å; G196-D198 PolarHBondContact O-N 2.85Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 WeakPolarHBondContact OD1-CB 3.33Å; D198-S200 PolarHBondContact OD1-N 3.48Å; D198-S200 PolarHBondContact OD1-OG 2.98Å; D198-S200 PolarHBondContact OD2-OG 3.09Å; D198-S200 VanDerWaalsContact OD2-OG 3.09Å; D198-R202 IonicContact OD2-CZ 3.72Å; D198-R202 IonicContact OD2-NE 3.43Å; D198-R202 IonicContact OD2-NH2 2.92Å; D198-R202 PolarHBondContact OD2-NH2 2.99Å
199G97.9Very high96Very high0 Ų030.5 Ų30.50%014%0.136CC..SBendtrans77.216.1177.600000114.1G196 E217 D218 H222 L224G196-G199 PolarHBondContact O-N 3.18Å; G199-E217 WeakPolarHBondContact O-CA 3.43Å; G199-D218 PolarHBondContact O-N 2.9Å; G199-H222 WeakPolarHBondContact CA-O 3.17Å; G199-L224 WeakPolarHBondContact O-CD1 3.48Å
200S98.2Very high96Very high1 Ų133.1 Ų33.11%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-110.1150-177.8720000113.4H173 V195 D198 R202 Y216H173-S200 PolarHBondContact CE1-O 3.08Å; H173-S200 PolarHBondContact CE1-OG 3.37Å; H173-S200 VanDerWaalsContact CE1-OG 3.29Å; H173-S200 PolarHBondContact ND1-OG 2.91Å; V195-S200 WeakPolarHBondContact CA-O 3.32Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 WeakPolarHBondContact OD1-CB 3.33Å; D198-S200 PolarHBondContact OD1-N 3.48Å; D198-S200 PolarHBondContact OD1-OG 2.98Å; D198-S200 PolarHBondContact OD2-OG 3.09Å; D198-S200 VanDerWaalsContact OD2-OG 3.09Å; S200-R202 PolarHBondContact OG-NE 3.31Å; S200-R202 VanDerWaalsContact OG-NE 3.15Å; S200-Y216 CarbonylContact C-O 3.53Å; S200-Y216 WeakPolarHBondContact CA-O 3.3Å
201V98.4Very high95.8Very high0 Ų038.6 Ų38.60%018%0.178CC..EExtended strand (participates in β ladder)trans-101.9118.5161.9-176.20000107.1A193 S194 V195 I215 Y216 L224 L237 T239 L250A193-V201 HydrophobicContact CB-CG1 4.46Å; S194-V201 WeakPolarHBondContact O-CA 3.12Å; V195-V201 HydrophobicContact CG1-CB 4.16Å; V195-V201 HydrophobicContact CG1-CG1 4.25Å; V195-V201 HydrophobicContact CG1-CG2 3.64Å; V201-I215 HydrophobicContact CG1-CB 4.36Å; V201-I215 PolarHBondContact O-N 2.74Å; V201-Y216 HydrophobicContact CG2-CD1 4.05Å; V201-Y216 PolarHBondContact N-O 2.75Å; V201-Y216 PolarHBondContact O-N 2.91Å; V201-L224 HydrophobicContact CG2-CD1 3.64Å; V201-L237 HydrophobicContact CG1-CD2 3.66Å; V201-T239 HydrophobicContact CG2-CG2 4.04Å; V201-L250 HydrophobicContact CB-CD1 4.45Å; V201-L250 HydrophobicContact CG2-CD1 3.91Å
202R98Very high95.7Very high31 Ų3139.8 Ų39.812%0.11719%0.189CC..EExtended strand (participates in β ladder)trans-114.8139179.1-64.8179.8-172.8-159.70.6110.3A172 D174 A193 S194 D198 S200 F204 T213 I214A172-R202 WeakPolarHBondContact O-CD 3.37Å; A172-R202 PolarHBondContact O-NH1 2.88Å; A172-R202 VanDerWaalsContact O-NH1 3.08Å; D174-R202 IonicContact OD2-CZ 2.58Å; D174-R202 IonicContact OD2-NH1 3.65Å; D174-R202 IonicContact OD2-NH2 3.82Å; D174-R202 PolarHBondContact OD2-NH2 3.29Å; A193-R202 CarbonylContact C-O 3.57Å; A193-R202 WeakPolarHBondContact CA-O 3.37Å; A193-R202 WeakPolarHBondContact CB-O 3.08Å; S194-R202 PolarHBondContact N-O 2.84Å; S194-R202 PolarHBondContact O-N 3.07Å; D198-R202 IonicContact OD2-CZ 3.72Å; D198-R202 IonicContact OD2-NE 3.43Å; D198-R202 IonicContact OD2-NH2 2.92Å; D198-R202 PolarHBondContact OD2-NH2 2.99Å; S200-R202 PolarHBondContact OG-NE 3.31Å; S200-R202 VanDerWaalsContact OG-NE 3.15Å; R202-F204 HydrophobicContact CB-CE2 3.51Å; R202-F204 HydrophobicContact CB-CZ 3.71Å; R202-F204 WeakPolarHBondContact O-CE2 3.11Å; R202-T213 CarbonylContact C-O 3.41Å; R202-T213 WeakPolarHBondContact CA-O 3.28Å; R202-I214 HydrophobicContact CG-CG1 4.17Å
203M96.6Very high95.6Very high34 Ų3443.2 Ų43.217%0.16721%0.21CC..EExtended strand (participates in β ladder)trans-112.1139.3177.6-170.5171.17500110.6M191 F192 S212 T213 I215 W229M191-M203 HydrophobicContact CE-CE 3.85Å; M191-M203 HydrophobicContact CE-CG 3.78Å; M191-M203 HydrophobicContact CE-SD 3.91Å; F192-M203 WeakPolarHBondContact O-CA 3.33Å; M203-S212 WeakPolarHBondContact O-CA 3.42Å; M203-T213 PolarHBondContact N-O 3.45Å; M203-T213 PolarHBondContact O-N 3Å; M203-I215 HydrophobicContact CB-CD1 4.03Å; M203-I215 HydrophobicContact CB-CG1 3.65Å; M203-I215 HydrophobicContact CE-CD1 4.02Å; M203-I215 HydrophobicContact SD-CD1 4.34Å; M203-W229 HydrophobicContact SD-CH2 4.39Å
204F96.8Very high95.5Very high6 Ų646.6 Ų46.63%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-130.7142.7-173.2-58.1-97.3000110.5L170 A172 M191 F192 S194 R202L170-F204 HydrophobicContact CD1-CD1 3.42Å; L170-F204 VanDerWaalsContact CD1-CD1 3.42Å; L170-F204 HydrophobicContact CD1-CE1 3.34Å; L170-F204 HydrophobicContact CD1-CG 4.28Å; L170-F204 HydrophobicContact CD1-CZ 4.19Å; A172-F204 HydrophobicContact CB-CE1 4.37Å; A172-F204 HydrophobicContact CB-CE2 4.36Å; A172-F204 HydrophobicContact CB-CZ 3.77Å; M191-F204 WeakPolarHBondContact CA-O 3.36Å; F192-F204 HydrophobicContact CD1-CB 4Å; F192-F204 HydrophobicContact CD2-CB 4.35Å; F192-F204 AromaticContact CD2-CD2 3.98Å; F192-F204 HydrophobicContact CD2-CD2 3.98Å; F192-F204 HydrophobicContact CD2-CG 4.48Å; F192-F204 HydrophobicContact CE1-CB 3.47Å; F192-F204 VanDerWaalsContact CE1-CB 3.47Å; F192-F204 HydrophobicContact CE1-CG 4.15Å; F192-F204 HydrophobicContact CE2-CB 3.88Å; F192-F204 AromaticContact CE2-CD2 3.4Å; F192-F204 HydrophobicContact CE2-CD2 3.4Å; F192-F204 VanDerWaalsContact CE2-CD2 3.4Å; F192-F204 HydrophobicContact CE2-CE2 4.11Å; F192-F204 AromaticContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CE2-CG 3.74Å; F192-F204 HydrophobicContact CG-CB 4.41Å; F192-F204 HydrophobicContact CZ-CB 3.4Å; F192-F204 VanDerWaalsContact CZ-CB 3.4Å; F192-F204 HydrophobicContact CZ-CD1 4.25Å; F192-F204 AromaticContact CZ-CD2 3.75Å; F192-F204 HydrophobicContact CZ-CD2 3.75Å; F192-F204 AromaticContact CZ-CG 3.54Å; F192-F204 HydrophobicContact CZ-CG 3.54Å; F192-F204 PolarHBondContact N-O 3.32Å; F192-F204 VanDerWaalsContact N-O 3.12Å; F192-F204 PolarHBondContact O-N 3.43Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.25Å; R202-F204 HydrophobicContact CB-CE2 3.51Å; R202-F204 HydrophobicContact CB-CZ 3.71Å; R202-F204 WeakPolarHBondContact O-CE2 3.11Å
205D95.1Very high95.4Very high26 Ų2646.9 Ų46.914%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-109.4118.7169-173.4-23.7000108.7D190 M191 R207 H208 L209D190-D205 CarbonylContact O-C 3.53Å; D190-D205 WeakPolarHBondContact O-CA 3.31Å; M191-D205 HydrophobicContact CE-CB 4.19Å; M191-D205 HydrophobicContact SD-CB 3.48Å; M191-D205 WeakPolarHBondContact SD-CB 3.39Å; M191-D205 VanDerWaalsContact SD-CG 3.56Å; D205-R207 PolarHBondContact O-N 2.78Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.2Å; D205-R207 WeakPolarHBondContact OD1-CG 3.13Å; D205-R207 IonicContact OD1-CZ 2.74Å; D205-R207 PolarHBondContact OD1-N 2.85Å; D205-R207 IonicContact OD1-NE 3.33Å; D205-R207 PolarHBondContact OD1-NE 2.95Å; D205-R207 IonicContact OD1-NH2 3.55Å; D205-R207 IonicContact OD2-CZ 3.13Å; D205-R207 IonicContact OD2-NE 2.91Å; D205-R207 PolarHBondContact OD2-NE 2.66Å; D205-R207 IonicContact OD2-NH2 2.7Å; D205-R207 PolarHBondContact OD2-NH2 3.46Å; D205-H208 HydrophobicContact CB-CB 4.47Å; D205-H208 CarbonylContact O-C 3.53Å; D205-H208 PolarHBondContact O-N 2.83Å; D205-H208 IonicContact OD2-ND1 3.38Å; D205-L209 WeakPolarHBondContact O-CD2 3.43Å; D205-L209 PolarHBondContact O-N 2.58Å
206L94.3Very high95.3Very high23 Ų2347 Ų4712%0.1223%0.229CC..THydrogen-bonded Turntrans-58.5-19.2178.8-67.4-175.7000113.5I147 T168 F182 D190 F192 L209I147-L206 HydrophobicContact CD1-CD2 4.16Å; I147-L206 HydrophobicContact CG1-CD2 3.71Å; I147-L206 HydrophobicContact CG2-CD1 4.32Å; I147-L206 HydrophobicContact CG2-CD2 4.36Å; T168-L206 HydrophobicContact CG2-CD2 4.45Å; F182-L206 HydrophobicContact CE1-CD1 4.37Å; D190-L206 HydrophobicContact CB-CB 4.23Å; D190-L206 WeakPolarHBondContact O-CB 3.32Å; D190-L206 WeakPolarHBondContact O-CG 3.13Å; D190-L206 PolarHBondContact O-N 2.83Å; F192-L206 HydrophobicContact CD1-CD2 3.93Å; F192-L206 HydrophobicContact CD1-CG 4.32Å; F192-L206 HydrophobicContact CE1-CD2 3.58Å; F192-L206 HydrophobicContact CE1-CG 4.38Å; L206-L209 HydrophobicContact CD2-CD2 4.25Å
207R92.8Very high95.3Very high140 Ų14051.2 Ų51.253%0.52825%0.249SC..THydrogen-bonded Turntrans-84.7-20.1176.3-56.4167.1-63.5-172.18.2112.2D190 D205D190-R207 HydrophobicContact CB-CG 4.12Å; D190-R207 WeakPolarHBondContact OD2-CD 3.4Å; D190-R207 IonicContact OD2-NE 3.39Å; D190-R207 IonicContact OD2-NH1 3.94Å; D205-R207 PolarHBondContact O-N 2.78Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.2Å; D205-R207 WeakPolarHBondContact OD1-CG 3.13Å; D205-R207 IonicContact OD1-CZ 2.74Å; D205-R207 PolarHBondContact OD1-N 2.85Å; D205-R207 IonicContact OD1-NE 3.33Å; D205-R207 PolarHBondContact OD1-NE 2.95Å; D205-R207 IonicContact OD1-NH2 3.55Å; D205-R207 IonicContact OD2-CZ 3.13Å; D205-R207 IonicContact OD2-NE 2.91Å; D205-R207 PolarHBondContact OD2-NE 2.66Å; D205-R207 IonicContact OD2-NH2 2.7Å; D205-R207 PolarHBondContact OD2-NH2 3.46Å
208H92.2Very high95.2Very high123 Ų12351.5 Ų51.557%0.56925%0.25SC*.  trans-139.658.6-173.7-57.3101.1000111.5D205 E210 H211D205-H208 HydrophobicContact CB-CB 4.47Å; D205-H208 CarbonylContact O-C 3.53Å; D205-H208 PolarHBondContact O-N 2.83Å; D205-H208 IonicContact OD2-ND1 3.38Å; H208-E210 PolarHBondContact O-N 3.07Å; H208-E210 VanDerWaalsContact O-N 3.12Å; H208-H211 PolarHBondContact O-N 2.86Å
209L91.2Very high95Very high54 Ų5455.6 Ų55.628%0.28328%0.277SS..THydrogen-bonded Turntrans-69.7-6.2-175.4-68.6172.8000115T168 L170 D205 L206 H211T168-L209 HydrophobicContact CG2-CD1 3.74Å; T168-L209 WeakPolarHBondContact OG1-CD1 3.19Å; L170-L209 HydrophobicContact CD2-CD2 4.1Å; D205-L209 WeakPolarHBondContact O-CD2 3.43Å; D205-L209 PolarHBondContact O-N 2.58Å; L206-L209 HydrophobicContact CD2-CD2 4.25Å; L209-H211 PolarHBondContact O-N 2.81Å
210E88.6Confident94.9Very high177 Ų17762.4 Ų62.483%0.82731%0.309SS*.THydrogen-bonded Turntrans-68.8-17.7174.8-61.3-177.1174.900112.3H208H208-E210 PolarHBondContact O-N 3.07Å; H208-E210 VanDerWaalsContact O-N 3.12Å
211H88.6Confident94.7Very high143 Ų14367.4 Ų67.466%0.66233%0.332SS*.  trans-132.1134.8-179.3-59.5-50.4000111.2H208 L209H208-H211 PolarHBondContact O-N 2.86Å; L209-H211 PolarHBondContact O-N 2.81Å
212S93.5Very high94.6Very high52 Ų5271.5 Ų71.536%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-112.7155.5164.966.60000109.6M203M203-S212 WeakPolarHBondContact O-CA 3.42Å
213T94.5Very high94.7Very high72 Ų7271.7 Ų71.744%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-112123.7174.7-55.90000108.9R202 M203 I215R202-T213 CarbonylContact C-O 3.41Å; R202-T213 WeakPolarHBondContact CA-O 3.28Å; M203-T213 PolarHBondContact N-O 3.45Å; M203-T213 PolarHBondContact O-N 3Å; T213-I215 HydrophobicContact CG2-CD1 3.81Å; T213-I215 PolarHBondContact O-N 3.26Å
214I96.1Very high94.7Very high72 Ų7270.2 Ų70.237%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-75.7116.3170.2-60.3170.9000107.6R202 E217R202-I214 HydrophobicContact CG-CG1 4.17Å; I214-E217 HydrophobicContact CG2-CB 4.48Å
215I96.8Very high94.8Very high5 Ų572 Ų723%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-92.4-31.9-178.6-59.3-60000111.1V201 M203 T213 L250 V252 C256V201-I215 HydrophobicContact CG1-CB 4.36Å; V201-I215 PolarHBondContact O-N 2.74Å; M203-I215 HydrophobicContact CB-CD1 4.03Å; M203-I215 HydrophobicContact CB-CG1 3.65Å; M203-I215 HydrophobicContact CE-CD1 4.02Å; M203-I215 HydrophobicContact SD-CD1 4.34Å; T213-I215 HydrophobicContact CG2-CD1 3.81Å; T213-I215 PolarHBondContact O-N 3.26Å; I215-L250 HydrophobicContact CG2-CD1 4.5Å; I215-V252 HydrophobicContact CG2-CB 4.35Å; I215-V252 HydrophobicContact CG2-CG1 4.08Å; I215-C256 PolarHBondContact O-N 3.34Å
216Y98Very high94.9Very high4 Ų474.7 Ų74.72%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-155.1148.6178174.1-102.5000109.1S200 V201 D218 L224 T239 V248 L250 R261S200-Y216 CarbonylContact C-O 3.53Å; S200-Y216 WeakPolarHBondContact CA-O 3.3Å; V201-Y216 HydrophobicContact CG2-CD1 4.05Å; V201-Y216 PolarHBondContact N-O 2.75Å; V201-Y216 PolarHBondContact O-N 2.91Å; Y216-D218 HydrophobicContact CE1-CB 4.26Å; Y216-D218 PolarHBondContact OH-OD2 3.07Å; Y216-L224 HydrophobicContact CD1-CD1 3.88Å; Y216-L224 HydrophobicContact CE1-CD1 4.08Å; Y216-L224 HydrophobicContact CE1-CD2 4.47Å; Y216-T239 HydrophobicContact CD1-CG2 4.36Å; Y216-V248 HydrophobicContact CE2-CG1 4.37Å; Y216-L250 HydrophobicContact CD1-CD1 4.47Å; Y216-L250 HydrophobicContact CD2-CD2 3.68Å; Y216-L250 HydrophobicContact CE2-CD2 4.4Å; Y216-L250 HydrophobicContact CG-CD1 4.04Å; Y216-L250 HydrophobicContact CG-CD2 3.78Å; Y216-R261 PolarHBondContact OH-NH2 3.05Å
217E97.4Very high95Very high87 Ų8773.9 Ų73.941%0.40736%0.363SS..EExtended strand (participates in β ladder)trans-137.1130.6170.2-171.6168-166.600107.1G199 I214 H221G199-E217 WeakPolarHBondContact O-CA 3.43Å; I214-E217 HydrophobicContact CG2-CB 4.48Å; E217-H221 IonicContact OE1-CE1 2.98Å; E217-H221 PolarHBondContact OE1-CE1 3.25Å; E217-H221 IonicContact OE1-ND1 2.8Å; E217-H221 PolarHBondContact OE1-ND1 3.33Å
218D96.3Very high95.2Very high14 Ų1468.7 Ų68.78%0.07535%0.347CS..  trans-63.4129176.2-175.2-101.7000109.7G199 Y216 Q220 H221 H222 L224G199-D218 PolarHBondContact O-N 2.9Å; Y216-D218 HydrophobicContact CE1-CB 4.26Å; Y216-D218 PolarHBondContact OH-OD2 3.07Å; D218-Q220 PolarHBondContact O-N 2.94Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.43Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.49Å; D218-Q220 PolarHBondContact OD1-N 2.87Å; D218-H221 WeakPolarHBondContact O-CA 3.26Å; D218-H221 PolarHBondContact O-N 3.12Å; D218-H221 PolarHBondContact OD1-N 2.78Å; D218-H222 IonicContact OD1-CG 2.74Å; D218-H222 PolarHBondContact OD1-N 3.15Å; D218-H222 VanDerWaalsContact OD1-N 3.09Å; D218-H222 IonicContact OD1-ND1 3.7Å; D218-H222 PolarHBondContact OD1-ND1 2.9Å; D218-L224 HydrophobicContact CB-CD2 4.5Å
219P93.9Very high95.5Very high103 Ų10363.1 Ų63.167%0.66932%0.321SS*.THydrogen-bonded Turntrans-59.6-22.5-177.5-26.534.9000114.7
220Q94.7Very high95.8Very high143 Ų14360.6 Ų60.667%0.66831%0.308SS*.THydrogen-bonded Turntrans-103.44.6177.3-58-175.321.800111.8D218 H222D218-Q220 PolarHBondContact O-N 2.94Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.43Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.49Å; D218-Q220 PolarHBondContact OD1-N 2.87Å; Q220-H222 PolarHBondContact O-N 2.89Å; Q220-H222 PolarHBondContact OE1-CE1 2.91Å
221H94.9Very high95.9Very high107 Ų10754.9 Ų54.950%0.49528%0.281SS..  trans52.433.8-173.8-54-85.4000113E217 D218E217-H221 IonicContact OE1-CE1 2.98Å; E217-H221 PolarHBondContact OE1-CE1 3.25Å; E217-H221 IonicContact OE1-ND1 2.8Å; E217-H221 PolarHBondContact OE1-ND1 3.33Å; D218-H221 WeakPolarHBondContact O-CA 3.26Å; D218-H221 PolarHBondContact O-N 3.12Å; D218-H221 PolarHBondContact OD1-N 2.78Å
222H97.3Very high96.2Very high85 Ų8553.2 Ų53.239%0.39427%0.273SS..PPolyproline II helixtrans-63.6137.9170.3-68.9126.4000109.9G199 D218 Q220 L224 A241G199-H222 WeakPolarHBondContact CA-O 3.17Å; D218-H222 IonicContact OD1-CG 2.74Å; D218-H222 PolarHBondContact OD1-N 3.15Å; D218-H222 VanDerWaalsContact OD1-N 3.09Å; D218-H222 IonicContact OD1-ND1 3.7Å; D218-H222 PolarHBondContact OD1-ND1 2.9Å; Q220-H222 PolarHBondContact O-N 2.89Å; Q220-H222 PolarHBondContact OE1-CE1 2.91Å; H222-L224 PolarHBondContact O-N 2.84Å; H222-A241 HydrophobicContact CB-CB 4.28Å
223P98.4Very high96.3Very high36 Ų3652.7 Ų52.723%0.23427%0.266CS..PPolyproline II helixtrans-53.3136.5176.5-28.736.7000112.8Y178 A241 M242Y178-P223 HydrophobicContact CE2-CB 3.94Å; P223-A241 CarbonylContact O-C 3.57Å; P223-A241 VanDerWaalsContact O-CA 3.28Å; P223-A241 WeakPolarHBondContact O-CA 3.14Å; P223-M242 HydrophobicContact CB-CB 4.01Å; P223-M242 HydrophobicContact CB-SD 4.49Å; P223-M242 PolarHBondContact O-N 2.66Å
224L98.4Very high96.2Very high2 Ų251 Ų511%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-101.1124.2175.4-63.6-176.4000110.2Y178 V195 G196 G199 V201 Y216 D218 H222 T239 A241Y178-L224 WeakPolarHBondContact CD2-O 3.45Å; V195-L224 HydrophobicContact CB-CB 3.8Å; V195-L224 HydrophobicContact CG1-CB 4.07Å; V195-L224 HydrophobicContact CG1-CD1 4.3Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.42Å; G196-L224 PolarHBondContact O-N 2.91Å; G196-L224 VanDerWaalsContact O-N 3.09Å; G199-L224 WeakPolarHBondContact O-CD1 3.48Å; V201-L224 HydrophobicContact CG2-CD1 3.64Å; Y216-L224 HydrophobicContact CD1-CD1 3.88Å; Y216-L224 HydrophobicContact CE1-CD1 4.08Å; Y216-L224 HydrophobicContact CE1-CD2 4.47Å; D218-L224 HydrophobicContact CB-CD2 4.5Å; H222-L224 PolarHBondContact O-N 2.84Å; L224-T239 HydrophobicContact CD1-CG2 4.45Å; L224-A241 HydrophobicContact CD2-CB 3.95Å
225L97.4Very high96.1Very high44 Ų4449.6 Ų49.623%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-94.3-34.6-167.7-70.4-174.5000115.1Y178 M240 M242Y178-L225 HydrophobicContact CD2-CD2 3.64Å; Y178-L225 HydrophobicContact CE2-CD2 3.92Å; Y178-L225 HydrophobicContact CG-CD2 4.21Å; L225-M240 PolarHBondContact N-O 2.82Å; L225-M242 HydrophobicContact CD1-CB 3.89Å; L225-M242 HydrophobicContact CD1-CG 4.01Å; L225-M242 HydrophobicContact CD2-CB 3.92Å; L225-M242 HydrophobicContact CD2-CG 4.17Å; L225-M242 HydrophobicContact CD2-SD 4.24Å; L225-M242 HydrophobicContact CG-CB 3.71Å; L225-M242 HydrophobicContact CG-CG 4.24Å
226R97.1Very high96.1Very high82 Ų8251.5 Ų51.531%0.30926%0.257SS..EExtended strand (participates in β ladder)trans-146.4148.1-171.4-68.5-65.3178.8-1066.3111.2Y178 D179 T239 M240Y178-R226 PolarHBondContact O-NH1 2.85Å; D179-R226 WeakPolarHBondContact OD2-CA 3.36Å; D179-R226 VanDerWaalsContact OD2-CD 3.27Å; D179-R226 WeakPolarHBondContact OD2-CD 3.47Å; R226-T239 VanDerWaalsContact O-CA 3.3Å; R226-T239 WeakPolarHBondContact O-CA 3.47Å; R226-T239 PolarHBondContact O-OG1 3.08Å; R226-T239 VanDerWaalsContact O-OG1 3.08Å; R226-M240 HydrophobicContact CB-CE 3.4Å; R226-M240 VanDerWaalsContact CB-CE 3.4Å; R226-M240 HydrophobicContact CB-CG 4.18Å; R226-M240 HydrophobicContact CG-CE 3.36Å; R226-M240 PolarHBondContact O-N 3.26Å
227L97.4Very high96.1Very high7 Ų751.3 Ų51.34%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-133.6141.2171.973.795.5000110.3D179 A181 A193 S194 V195 L237 A238D179-L227 PolarHBondContact OD2-N 2.81Å; D179-L227 VanDerWaalsContact OD2-N 3.1Å; A181-L227 HydrophobicContact CB-CD1 3.35Å; A181-L227 HydrophobicContact CB-CG 4.31Å; A193-L227 HydrophobicContact CB-CD1 4.21Å; A193-L227 HydrophobicContact CB-CD2 4.26Å; A193-L227 WeakPolarHBondContact O-CD2 3.39Å; S194-L227 VanDerWaalsContact CA-CD2 3.48Å; V195-L227 HydrophobicContact CB-CD2 4.28Å; V195-L227 HydrophobicContact CG1-CB 4.02Å; V195-L227 HydrophobicContact CG1-CD2 3.77Å; V195-L227 HydrophobicContact CG2-CB 4.48Å; V195-L227 HydrophobicContact CG2-CD2 4.05Å; L227-L237 HydrophobicContact CB-CD1 4.1Å; L227-L237 HydrophobicContact CB-CD2 4.48Å; L227-L237 HydrophobicContact CD1-CD1 3.63Å; L227-A238 CarbonylContact C-O 3.41Å; L227-A238 VanDerWaalsContact CA-O 3.27Å; L227-A238 WeakPolarHBondContact CA-O 3.34Å
228C97.6Very high96.1Very high31 Ų3147.2 Ų47.221%0.20924%0.237CC..EExtended strand (participates in β ladder)trans-139.1121.7-179.7-161.70000110.6L237 A238 I272 W274C228-L237 VanDerWaalsContact C-CD1 3.45Å; C228-L237 WeakPolarHBondContact O-CD1 3.21Å; C228-A238 PolarHBondContact N-O 3.31Å; C228-A238 PolarHBondContact O-N 2.93Å; C228-I272 HydrophobicContact CB-CB 4.31Å; C228-I272 HydrophobicContact CB-CG2 3.98Å; C228-W274 PolarHBondContact O-NE1 2.85Å
229W97.4Very high96.2Very high5 Ų546.5 Ų46.52%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-78.2138.7177.7-71.2103.2000111.7A181 S183 A193 M203 K231 P234 L237 V252 W274A181-W229 PolarHBondContact O-NE1 2.82Å; S183-W229 VanDerWaalsContact CB-CZ2 3.5Å; A193-W229 HydrophobicContact CB-CZ2 3.7Å; M203-W229 HydrophobicContact SD-CH2 4.39Å; W229-K231 PolarHBondContact O-N 2.54Å; W229-P234 VanDerWaalsContact CZ3-O 3.32Å; W229-P234 WeakPolarHBondContact CZ3-O 3.4Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.42Å; W229-L237 HydrophobicContact CD2-CD1 3.6Å; W229-L237 HydrophobicContact CE3-CB 3.96Å; W229-L237 HydrophobicContact CE3-CD1 4.03Å; W229-L237 HydrophobicContact CG-CD1 3.81Å; W229-L237 HydrophobicContact CZ2-CD1 4.36Å; W229-L237 HydrophobicContact CZ2-CD2 4.47Å; W229-L237 HydrophobicContact CZ3-CB 4.02Å; W229-V252 HydrophobicContact CH2-CG1 3.69Å; W229-V252 HydrophobicContact CZ3-CG1 3.64Å; W229-V252 HydrophobicContact CZ3-CG2 4.42Å; W229-W274 VanDerWaalsContact O-CD1 3.23Å
230N96.9Very high96.4Very high1 Ų141.8 Ų41.81%0.00520%0.202CC..  trans-68.4118.1163.8-177.6-24.9000109.2Q232 D233 Y236 W274 S279N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact OD1-N 3.4Å; N230-D233 VanDerWaalsContact CB-O 3.31Å; N230-D233 WeakPolarHBondContact CB-O 3.42Å; N230-D233 CarbonylContact O-C 3.54Å; N230-D233 PolarHBondContact OD1-N 2.88Å; N230-Y236 WeakPolarHBondContact CB-O 3.43Å; N230-Y236 PolarHBondContact N-O 3.1Å; N230-W274 HydrophobicContact CB-CD2 3.67Å; N230-W274 HydrophobicContact CB-CE3 3.78Å; N230-W274 HydrophobicContact CB-CG 4.17Å; N230-W274 HydrophobicContact CB-CH2 4.11Å; N230-W274 HydrophobicContact CB-CZ2 4.02Å; N230-W274 HydrophobicContact CB-CZ3 4Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.49Å; N230-S279 PolarHBondContact ND2-O 2.93Å
231K91.4Very high96.6Very high58 Ų5835.9 Ų35.925%0.25218%0.178SC..SBendtrans-79.4-19.5-174.3-57.6-66.8177.5163.20113E130 W229E130-K231 WeakPolarHBondContact OE1-CD 3.48Å; E130-K231 VanDerWaalsContact OE1-CE 3.22Å; E130-K231 WeakPolarHBondContact OE1-CE 3.36Å; E130-K231 IonicContact OE1-NZ 3.87Å; E130-K231 PolarHBondContact OE1-NZ 3Å; E130-K231 IonicContact OE2-NZ 2.73Å; W229-K231 PolarHBondContact O-N 2.54Å
232Q94.4Very high96.6Very high108 Ų10834.8 Ų34.851%0.50517%0.174SC..SBendtrans-91.7-34.5177.4-67.1-59.2-38.900112.2N230 P276N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact OD1-N 3.4Å; Q232-P276 PolarHBondContact NE2-O 2.8Å
233D95.2Very high96.5Very high41 Ų4136.3 Ų36.322%0.21919%0.185CC..  trans-127.598172.1-171.7-13.6000110.7N230 N235 Y236N230-D233 VanDerWaalsContact CB-O 3.31Å; N230-D233 WeakPolarHBondContact CB-O 3.42Å; N230-D233 CarbonylContact O-C 3.54Å; N230-D233 PolarHBondContact OD1-N 2.88Å; D233-N235 PolarHBondContact O-N 3.39Å; D233-N235 WeakPolarHBondContact OD1-CB 3.48Å; D233-N235 PolarHBondContact OD1-N 3.33Å; D233-N235 VanDerWaalsContact OD1-N 3.12Å; D233-N235 PolarHBondContact OD1-ND2 2.81Å; D233-Y236 HydrophobicContact CB-CD2 4.04Å; D233-Y236 PolarHBondContact O-N 3.47Å; D233-Y236 VanDerWaalsContact O-N 3.14Å; D233-Y236 VanDerWaalsContact OD2-CE2 3.28Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.41Å
234P93.3Very high96.4Very high35 Ų3535.3 Ų35.323%0.22718%0.181CC..THydrogen-bonded Turntrans-71.22.3-17431.6-36.8000114R184 A185 W229 Y236R184-P234 HydrophobicContact CB-CB 4.18Å; A185-P234 HydrophobicContact CB-CB 4.21Å; W229-P234 VanDerWaalsContact CZ3-O 3.32Å; W229-P234 WeakPolarHBondContact CZ3-O 3.4Å; P234-Y236 VanDerWaalsContact C-N 3.31Å
235N94.6Very high96.3Very high43 Ų4339.6 Ų39.623%0.2320%0.202CC..THydrogen-bonded Turntrans-76.5-21.9171-59.2-59000112.1D233 D251 V252 R253D233-N235 PolarHBondContact O-N 3.39Å; D233-N235 WeakPolarHBondContact OD1-CB 3.48Å; D233-N235 PolarHBondContact OD1-N 3.33Å; D233-N235 VanDerWaalsContact OD1-N 3.12Å; D233-N235 PolarHBondContact OD1-ND2 2.81Å; N235-D251 WeakPolarHBondContact O-CA 3.07Å; N235-V252 PolarHBondContact O-N 2.91Å; N235-R253 WeakPolarHBondContact OD1-CD 3.23Å
236Y96.6Very high96.3Very high46 Ų4640.6 Ų40.618%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-102135.9-177.1-63.1-70.1000112.8N230 D233 P234 I249 L250 D251 V259 M299N230-Y236 WeakPolarHBondContact CB-O 3.43Å; N230-Y236 PolarHBondContact N-O 3.1Å; D233-Y236 HydrophobicContact CB-CD2 4.04Å; D233-Y236 PolarHBondContact O-N 3.47Å; D233-Y236 VanDerWaalsContact O-N 3.14Å; D233-Y236 VanDerWaalsContact OD2-CE2 3.28Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.41Å; P234-Y236 VanDerWaalsContact C-N 3.31Å; Y236-I249 HydrophobicContact CD1-CG2 4.35Å; Y236-L250 VanDerWaalsContact CA-O 3.31Å; Y236-L250 WeakPolarHBondContact CA-O 3.21Å; Y236-D251 HydrophobicContact CD1-CB 4.16Å; Y236-D251 HydrophobicContact CE1-CB 3.92Å; Y236-V259 HydrophobicContact CD1-CG2 4.2Å; Y236-V259 HydrophobicContact CE1-CG2 4.08Å; Y236-M299 HydrophobicContact CD1-CE 4.37Å; Y236-M299 HydrophobicContact CE1-CE 4.02Å
237L97.3Very high96.3Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-130.6138.1175.5178.172.4000108.9A193 V201 L227 C228 W229 L250 V252A193-L237 HydrophobicContact CB-CD2 4.42Å; V201-L237 HydrophobicContact CG1-CD2 3.66Å; L227-L237 HydrophobicContact CB-CD1 4.1Å; L227-L237 HydrophobicContact CB-CD2 4.48Å; L227-L237 HydrophobicContact CD1-CD1 3.63Å; C228-L237 VanDerWaalsContact C-CD1 3.45Å; C228-L237 WeakPolarHBondContact O-CD1 3.21Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.42Å; W229-L237 HydrophobicContact CD2-CD1 3.6Å; W229-L237 HydrophobicContact CE3-CB 3.96Å; W229-L237 HydrophobicContact CE3-CD1 4.03Å; W229-L237 HydrophobicContact CG-CD1 3.81Å; W229-L237 HydrophobicContact CZ2-CD1 4.36Å; W229-L237 HydrophobicContact CZ2-CD2 4.47Å; W229-L237 HydrophobicContact CZ3-CB 4.02Å; L237-L250 HydrophobicContact CD2-CD1 4.47Å; L237-L250 PolarHBondContact N-O 3.33Å; L237-L250 PolarHBondContact O-N 2.7Å; L237-V252 HydrophobicContact CB-CG1 4.36Å
238A98.3Very high96.3Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-103.7143.6170.200000110L227 C228 V247 V248 I249 I272 W274 I282L227-A238 CarbonylContact C-O 3.41Å; L227-A238 VanDerWaalsContact CA-O 3.27Å; L227-A238 WeakPolarHBondContact CA-O 3.34Å; C228-A238 PolarHBondContact N-O 3.31Å; C228-A238 PolarHBondContact O-N 2.93Å; A238-V247 HydrophobicContact CB-CG1 3.97Å; A238-V248 CarbonylContact C-O 3.29Å; A238-V248 WeakPolarHBondContact CA-O 3.49Å; A238-I249 HydrophobicContact CB-CD1 3.7Å; A238-I272 HydrophobicContact CB-CD1 4.43Å; A238-I272 HydrophobicContact CB-CG2 3.9Å; A238-W274 HydrophobicContact CB-CZ2 3.91Å; A238-I282 HydrophobicContact CB-CD1 3.73Å
239T98.4Very high96.3Very high0 Ų035.3 Ų35.30%018%0.181CC..EExtended strand (participates in β ladder)trans-140.3156.9173.5-170.40000110.7V201 Y216 L224 R226 V248 L250V201-T239 HydrophobicContact CG2-CG2 4.04Å; Y216-T239 HydrophobicContact CD1-CG2 4.36Å; L224-T239 HydrophobicContact CD1-CG2 4.45Å; R226-T239 VanDerWaalsContact O-CA 3.3Å; R226-T239 WeakPolarHBondContact O-CA 3.47Å; R226-T239 PolarHBondContact O-OG1 3.08Å; R226-T239 VanDerWaalsContact O-OG1 3.08Å; T239-V248 HydrophobicContact CG2-CB 4.02Å; T239-V248 PolarHBondContact N-O 3.48Å; T239-V248 PolarHBondContact O-N 2.93Å; T239-L250 HydrophobicContact CG2-CD1 4Å
240M97.7Very high96.3Very high3 Ų335.2 Ų35.22%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-136.6147.6173.258.9-172.1166.400112L225 R226 V247 V269 N270 I272L225-M240 PolarHBondContact N-O 2.82Å; R226-M240 HydrophobicContact CB-CE 3.4Å; R226-M240 VanDerWaalsContact CB-CE 3.4Å; R226-M240 HydrophobicContact CB-CG 4.18Å; R226-M240 HydrophobicContact CG-CE 3.36Å; R226-M240 PolarHBondContact O-N 3.26Å; M240-V247 HydrophobicContact CB-CG2 4.45Å; M240-V269 HydrophobicContact SD-CB 3.85Å; M240-V269 HydrophobicContact SD-CG1 3.56Å; M240-V269 VanDerWaalsContact SD-CG1 3.56Å; M240-N270 VanDerWaalsContact CE-C 3.42Å; M240-N270 WeakPolarHBondContact CE-O 3.34Å; M240-I272 HydrophobicContact CB-CD1 4.02Å; M240-I272 HydrophobicContact CE-CD1 4.05Å; M240-I272 HydrophobicContact CE-CG1 3.98Å; M240-I272 HydrophobicContact CG-CD1 3.77Å; M240-I272 HydrophobicContact SD-CD1 3.72Å; M240-I272 HydrophobicContact SD-CG1 3.81Å
241A97.6Very high96.2Very high19 Ų1935.7 Ų35.716%0.15718%0.184CC..EExtended strand (participates in β ladder)trans-83.6156176.300000111.6H222 P223 L224 D243 G244H222-A241 HydrophobicContact CB-CB 4.28Å; P223-A241 CarbonylContact O-C 3.57Å; P223-A241 VanDerWaalsContact O-CA 3.28Å; P223-A241 WeakPolarHBondContact O-CA 3.14Å; L224-A241 HydrophobicContact CD2-CB 3.95Å; A241-D243 PolarHBondContact O-N 2.68Å; A241-G244 PolarHBondContact O-N 3Å; A241-G244 VanDerWaalsContact O-N 3.12Å
242M95.9Very high96.4Very high84 Ų8434 Ų3441%0.41418%0.178SC..THydrogen-bonded Turntrans-60.8132.2169.6-174.4166.5-170.300109.8P223 L225 G244P223-M242 HydrophobicContact CB-CB 4.01Å; P223-M242 HydrophobicContact CB-SD 4.49Å; P223-M242 PolarHBondContact O-N 2.66Å; L225-M242 HydrophobicContact CD1-CB 3.89Å; L225-M242 HydrophobicContact CD1-CG 4.01Å; L225-M242 HydrophobicContact CD2-CB 3.92Å; L225-M242 HydrophobicContact CD2-CG 4.17Å; L225-M242 HydrophobicContact CD2-SD 4.24Å; L225-M242 HydrophobicContact CG-CB 3.71Å; L225-M242 HydrophobicContact CG-CG 4.24Å; M242-G244 PolarHBondContact O-N 2.91Å
243D94.9Very high96.3Very high118 Ų11835.7 Ų35.763%0.63118%0.18SC*.THydrogen-bonded Turntrans55.718-174.7-50.4-37.4000114.1A241 C268A241-D243 PolarHBondContact O-N 2.68Å; D243-C268 VanDerWaalsContact CA-SG 3.54Å
244G96.4Very high96.1Very high14 Ų1437.4 Ų37.414%0.14419%0.192CC..  trans-81.5138.8-179.800000111.7A241 M242 C268 V269A241-G244 PolarHBondContact O-N 3Å; A241-G244 VanDerWaalsContact O-N 3.12Å; M242-G244 PolarHBondContact O-N 2.91Å; G244-C268 WeakPolarHBondContact O-CA 3.2Å; G244-V269 PolarHBondContact O-N 3.07Å
245M97.3Very high96Very high92 Ų9238.7 Ų38.745%0.45320%0.2SC..SBendtrans-94.74176.4-56.8173.757.300112.6H265 R266M245-H265 WeakPolarHBondContact CE-O 3.48Å; M245-R266 VanDerWaalsContact CE-CA 3.41Å; M245-R266 WeakPolarHBondContact CE-O 3.5Å
246E96.4Very high95.8Very high66 Ų6640.9 Ų40.931%0.30822%0.218SC..  trans-126.7150.3-176.164.1175.9162.900111.8R261 L262 N263E246-R261 IonicContact OE1-NH1 3.38Å; E246-R261 PolarHBondContact OE1-NH1 2.88Å; E246-R261 WeakPolarHBondContact OE2-CD 3.38Å; E246-R261 IonicContact OE2-CZ 3.1Å; E246-R261 IonicContact OE2-NH1 2.83Å; E246-R261 PolarHBondContact OE2-NH1 3.33Å; E246-L262 VanDerWaalsContact CA-O 3.27Å; E246-L262 WeakPolarHBondContact CA-O 3.3Å; E246-N263 HydrophobicContact CB-CB 4.35Å
247V97.9Very high95.6Very high1 Ų142.7 Ų42.71%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-108.2130.3168.5176.80000109A238 M240 I249 R261 L262 V269 I272 T284A238-V247 HydrophobicContact CB-CG1 3.97Å; M240-V247 HydrophobicContact CB-CG2 4.45Å; V247-I249 HydrophobicContact CG1-CD1 4.13Å; V247-R261 CarbonylContact O-C 3.57Å; V247-R261 WeakPolarHBondContact O-CA 3.43Å; V247-L262 HydrophobicContact CB-CB 4.3Å; V247-L262 HydrophobicContact CB-CD1 4.35Å; V247-L262 HydrophobicContact CG1-CD1 4.46Å; V247-L262 PolarHBondContact N-O 2.82Å; V247-L262 VanDerWaalsContact N-O 3.09Å; V247-L262 PolarHBondContact O-N 2.9Å; V247-V269 HydrophobicContact CG2-CB 4.43Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.37Å; V247-I272 HydrophobicContact CG1-CD1 3.77Å; V247-I272 HydrophobicContact CG1-CG1 4.28Å; V247-I272 HydrophobicContact CG2-CD1 4.04Å; V247-I272 HydrophobicContact CG2-CG1 4.02Å; V247-T284 HydrophobicContact CB-CG2 4.26Å; V247-T284 HydrophobicContact CG2-CG2 3.66Å
248V97.3Very high95.5Very high7 Ų744.6 Ų44.64%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-97.8126.8179.1-176.90000109.3Y216 A238 T239 L250 P258Y216-V248 HydrophobicContact CE2-CG1 4.37Å; A238-V248 CarbonylContact C-O 3.29Å; A238-V248 WeakPolarHBondContact CA-O 3.49Å; T239-V248 HydrophobicContact CG2-CB 4.02Å; T239-V248 PolarHBondContact N-O 3.48Å; T239-V248 PolarHBondContact O-N 2.93Å; V248-L250 HydrophobicContact CG1-CD2 3.69Å; V248-L250 HydrophobicContact CG1-CG 4.33Å; V248-P258 HydrophobicContact CG1-CB 3.46Å; V248-P258 VanDerWaalsContact CG1-CB 3.46Å; V248-P258 HydrophobicContact CG1-CG 4.44Å
249I97.7Very high95.4Very high0 Ų046.3 Ų46.30%026%0.256CS..EExtended strand (participates in β ladder)trans-99.9129.2173.5-48.8-59.1000108.8Y236 A238 V247 V259 A260 L262 W274 I282 I296 M299Y236-I249 HydrophobicContact CD1-CG2 4.35Å; A238-I249 HydrophobicContact CB-CD1 3.7Å; V247-I249 HydrophobicContact CG1-CD1 4.13Å; I249-V259 HydrophobicContact CB-CG2 4.07Å; I249-V259 HydrophobicContact CG2-CG2 3.74Å; I249-V259 VanDerWaalsContact O-CG2 3.3Å; I249-V259 WeakPolarHBondContact O-CG2 3.15Å; I249-V259 PolarHBondContact O-N 3.19Å; I249-A260 HydrophobicContact CB-CB 4.11Å; I249-A260 HydrophobicContact CG1-CB 4.18Å; I249-A260 PolarHBondContact N-O 3.12Å; I249-A260 PolarHBondContact O-N 2.89Å; I249-L262 HydrophobicContact CD1-CD1 4.09Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.33Å; I249-W274 HydrophobicContact CD1-CH2 4.26Å; I249-W274 HydrophobicContact CD1-CZ2 4.07Å; I249-W274 HydrophobicContact CG2-CH2 4.24Å; I249-W274 HydrophobicContact CG2-CZ2 4.45Å; I249-I282 HydrophobicContact CD1-CD1 3.93Å; I249-I296 HydrophobicContact CG2-CD1 4.49Å; I249-M299 HydrophobicContact CB-SD 4.49Å; I249-M299 HydrophobicContact CG2-SD 4.04Å
250L97.1Very high95.2Very high3 Ų347 Ų472%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-117.3141-176.1-55.3175.5000109.8V201 I215 Y216 Y236 L237 T239 V248 P258V201-L250 HydrophobicContact CB-CD1 4.45Å; V201-L250 HydrophobicContact CG2-CD1 3.91Å; I215-L250 HydrophobicContact CG2-CD1 4.5Å; Y216-L250 HydrophobicContact CD1-CD1 4.47Å; Y216-L250 HydrophobicContact CD2-CD2 3.68Å; Y216-L250 HydrophobicContact CE2-CD2 4.4Å; Y216-L250 HydrophobicContact CG-CD1 4.04Å; Y216-L250 HydrophobicContact CG-CD2 3.78Å; Y236-L250 VanDerWaalsContact CA-O 3.31Å; Y236-L250 WeakPolarHBondContact CA-O 3.21Å; L237-L250 HydrophobicContact CD2-CD1 4.47Å; L237-L250 PolarHBondContact N-O 3.33Å; L237-L250 PolarHBondContact O-N 2.7Å; T239-L250 HydrophobicContact CG2-CD1 4Å; V248-L250 HydrophobicContact CG1-CD2 3.69Å; V248-L250 HydrophobicContact CG1-CG 4.33Å; L250-P258 HydrophobicContact CD2-CB 4.08Å
251D95.2Very high95.1Very high12 Ų1250.7 Ų50.76%0.06428%0.276CS..EExtended strand (participates in β ladder)trans-103114.3163.2-177.6-18.1000108.1N235 Y236 R253 V254 V259N235-D251 WeakPolarHBondContact O-CA 3.07Å; Y236-D251 HydrophobicContact CD1-CB 4.16Å; Y236-D251 HydrophobicContact CE1-CB 3.92Å; D251-R253 PolarHBondContact O-N 3.03Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.43Å; D251-R253 WeakPolarHBondContact OD1-CG 3.35Å; D251-R253 IonicContact OD1-CZ 2.88Å; D251-R253 PolarHBondContact OD1-N 3.07Å; D251-R253 IonicContact OD1-NE 3.54Å; D251-R253 PolarHBondContact OD1-NE 3.05Å; D251-R253 IonicContact OD1-NH2 3.98Å; D251-R253 IonicContact OD2-CZ 3.54Å; D251-R253 IonicContact OD2-NE 2.71Å; D251-R253 PolarHBondContact OD2-NE 2.84Å; D251-R253 IonicContact OD2-NH2 3.54Å; D251-R253 PolarHBondContact OD2-NH2 3.31Å; D251-V254 CarbonylContact O-C 3.56Å; D251-V254 PolarHBondContact O-N 2.86Å; D251-V259 HydrophobicContact CB-CG1 3.66Å
252V94.1Very high95.1Very high21 Ų2149.8 Ų49.813%0.12727%0.269CS..THydrogen-bonded Turntrans-67.8-11-174.2-53.90000113.6I215 W229 N235 L237 V254I215-V252 HydrophobicContact CG2-CB 4.35Å; I215-V252 HydrophobicContact CG2-CG1 4.08Å; W229-V252 HydrophobicContact CH2-CG1 3.69Å; W229-V252 HydrophobicContact CZ3-CG1 3.64Å; W229-V252 HydrophobicContact CZ3-CG2 4.42Å; N235-V252 PolarHBondContact O-N 2.91Å; L237-V252 HydrophobicContact CB-CG1 4.36Å; V252-V254 VanDerWaalsContact C-N 3.35Å
253R92.4Very high95.1Very high144 Ų14450.8 Ų50.854%0.54328%0.275SS..THydrogen-bonded Turntrans-81.4-18.2173.2-54.8170.1-65.5-172.83.6112.2N235 D251 P255N235-R253 WeakPolarHBondContact OD1-CD 3.23Å; D251-R253 PolarHBondContact O-N 3.03Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.43Å; D251-R253 WeakPolarHBondContact OD1-CG 3.35Å; D251-R253 IonicContact OD1-CZ 2.88Å; D251-R253 PolarHBondContact OD1-N 3.07Å; D251-R253 IonicContact OD1-NE 3.54Å; D251-R253 PolarHBondContact OD1-NE 3.05Å; D251-R253 IonicContact OD1-NH2 3.98Å; D251-R253 IonicContact OD2-CZ 3.54Å; D251-R253 IonicContact OD2-NE 2.71Å; D251-R253 PolarHBondContact OD2-NE 2.84Å; D251-R253 IonicContact OD2-NH2 3.54Å; D251-R253 PolarHBondContact OD2-NH2 3.31Å; R253-P255 WeakPolarHBondContact O-CD 3.45Å
254V92.4Very high95.2Very high77 Ų7747.3 Ų47.347%0.46726%0.257SS..SBendtrans-124.474.6-180-169.40000108.4D251 V252D251-V254 CarbonylContact O-C 3.56Å; D251-V254 PolarHBondContact O-N 2.86Å; V252-V254 VanDerWaalsContact C-N 3.35Å
255P91.1Very high95.3Very high62 Ų6247.1 Ų47.140%0.40325%0.252SS..THydrogen-bonded Turntrans-62.3159.7-175.527.1-35.4000112.3R253 T257R253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-T257 PolarHBondContact O-N 3.46Å
256C90.6Very high95.3Very high89 Ų8952.2 Ų52.260%0.60127%0.266SS*.THydrogen-bonded Turntrans68-9.6178.8-50.40000115.9I215I215-C256 PolarHBondContact O-N 3.34Å
257T92.5Very high95.4Very high84 Ų8450.3 Ų50.352%0.51526%0.262SS..  trans-118.7116.1-178.3-520000110.9P255P255-T257 PolarHBondContact O-N 3.46Å
258P94.8Very high95.3Very high41 Ų4151.7 Ų51.727%0.26627%0.271SS..EExtended strand (participates in β ladder)trans-69140.5173.929.8-34.4000110.9V248 L250V248-P258 HydrophobicContact CG1-CB 3.46Å; V248-P258 VanDerWaalsContact CG1-CB 3.46Å; V248-P258 HydrophobicContact CG1-CG 4.44Å; L250-P258 HydrophobicContact CD2-CB 4.08Å
259V95.2Very high95.4Very high35 Ų3551.5 Ų51.521%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-88.5-24.4178.7-660000112.7Y236 I249 D251 M299Y236-V259 HydrophobicContact CD1-CG2 4.2Å; Y236-V259 HydrophobicContact CE1-CG2 4.08Å; I249-V259 HydrophobicContact CB-CG2 4.07Å; I249-V259 HydrophobicContact CG2-CG2 3.74Å; I249-V259 VanDerWaalsContact O-CG2 3.3Å; I249-V259 WeakPolarHBondContact O-CG2 3.15Å; I249-V259 PolarHBondContact O-N 3.19Å; D251-V259 HydrophobicContact CB-CG1 3.66Å; V259-M299 HydrophobicContact CG2-SD 3.9Å
260A95.4Very high95.3Very high14 Ų1453.7 Ų53.712%0.11628%0.282CS..EExtended strand (participates in β ladder)trans-156.1159.3172.900000111.5I249 M299 I303I249-A260 HydrophobicContact CB-CB 4.11Å; I249-A260 HydrophobicContact CG1-CB 4.18Å; I249-A260 PolarHBondContact N-O 3.12Å; I249-A260 PolarHBondContact O-N 2.89Å; A260-M299 HydrophobicContact CB-CG 3.96Å; A260-M299 HydrophobicContact CB-SD 3.74Å; A260-I303 HydrophobicContact CB-CD1 4.15Å
261R95.6Very high95.3Very high81 Ų8153.8 Ų53.831%0.30628%0.284SS..EExtended strand (participates in β ladder)trans-129.6128.3170.2-69.5174.7174.2-84.8-4.9107.6Y216 E246 V247Y216-R261 PolarHBondContact OH-NH2 3.05Å; E246-R261 IonicContact OE1-NH1 3.38Å; E246-R261 PolarHBondContact OE1-NH1 2.88Å; E246-R261 WeakPolarHBondContact OE2-CD 3.38Å; E246-R261 IonicContact OE2-CZ 3.1Å; E246-R261 IonicContact OE2-NH1 2.83Å; E246-R261 PolarHBondContact OE2-NH1 3.33Å; V247-R261 CarbonylContact O-C 3.57Å; V247-R261 WeakPolarHBondContact O-CA 3.43Å
262L97.4Very high95.4Very high1 Ų154 Ų541%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-101.5109.8179.3-51.6178.4000107.9E246 V247 I249 I282 T284 W294 I296 I303E246-L262 VanDerWaalsContact CA-O 3.27Å; E246-L262 WeakPolarHBondContact CA-O 3.3Å; V247-L262 HydrophobicContact CB-CB 4.3Å; V247-L262 HydrophobicContact CB-CD1 4.35Å; V247-L262 HydrophobicContact CG1-CD1 4.46Å; V247-L262 PolarHBondContact N-O 2.82Å; V247-L262 VanDerWaalsContact N-O 3.09Å; V247-L262 PolarHBondContact O-N 2.9Å; I249-L262 HydrophobicContact CD1-CD1 4.09Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.33Å; L262-I282 HydrophobicContact CD1-CG2 3.76Å; L262-T284 HydrophobicContact CD1-CG2 4.39Å; L262-W294 HydrophobicContact CB-CD2 4.06Å; L262-W294 HydrophobicContact CB-CE3 4.22Å; L262-W294 HydrophobicContact CB-CH2 3.99Å; L262-W294 HydrophobicContact CB-CZ2 3.9Å; L262-W294 HydrophobicContact CB-CZ3 4.19Å; L262-W294 HydrophobicContact CD1-CB 4.21Å; L262-W294 HydrophobicContact CD1-CD2 4.06Å; L262-W294 HydrophobicContact CD1-CG 3.79Å; L262-W294 HydrophobicContact CD2-CB 4.36Å; L262-W294 HydrophobicContact CD2-CD2 4.05Å; L262-W294 HydrophobicContact CD2-CE3 3.93Å; L262-W294 HydrophobicContact CD2-CG 4.26Å; L262-W294 HydrophobicContact CD2-CZ3 4.45Å; L262-W294 HydrophobicContact CG-CD2 4.28Å; L262-W294 HydrophobicContact CG-CG 4.46Å; L262-I296 HydrophobicContact CD2-CG2 4.39Å; L262-I303 HydrophobicContact CD2-CB 4.22Å; L262-I303 HydrophobicContact CD2-CD1 3.74Å; L262-I303 HydrophobicContact CD2-CG2 4.2Å
263N95.4Very high95.6Very high104 Ų10453.3 Ų53.356%0.55628%0.281SS*.  trans-13655.4-162.167.7-19.6000114.3E246E246-N263 HydrophobicContact CB-CB 4.35Å
264N96.6Very high95.9Very high45 Ų4547 Ų4724%0.24126%0.257CS..  trans-115.6-11.5178.2-153-63.1000112.6L292 W294 E304 D305N264-L292 HydrophobicContact CB-CD1 4.18Å; N264-W294 HydrophobicContact CB-CH2 3.4Å; N264-W294 HydrophobicContact CB-CZ2 4.18Å; N264-W294 HydrophobicContact CB-CZ3 4.16Å; N264-E304 PolarHBondContact ND2-O 2.95Å; N264-D305 PolarHBondContact ND2-OD1 2.93Å
265H97.9Very high96.1Very high10 Ų1043.4 Ų43.45%0.04624%0.235CC..  trans-64.8148.1175.1-78.4-64.1000112.3M245 V269 T284 A286 D288M245-H265 WeakPolarHBondContact CE-O 3.48Å; H265-V269 HydrophobicContact CB-CG2 4.21Å; H265-T284 WeakPolarHBondContact NE2-CB 3.39Å; H265-T284 PolarHBondContact NE2-OG1 2.82Å; H265-A286 HydrophobicContact CB-CB 4.26Å; H265-A286 VanDerWaalsContact ND1-CB 3.29Å; H265-A286 WeakPolarHBondContact ND1-CB 3.38Å; H265-D288 WeakPolarHBondContact CA-OD2 3.42Å; H265-D288 WeakPolarHBondContact CB-OD2 3.27Å; H265-D288 IonicContact CE1-OD1 3.8Å; H265-D288 IonicContact CG-OD2 2.72Å; H265-D288 IonicContact ND1-OD1 3.81Å; H265-D288 PolarHBondContact ND1-OD1 3.25Å; H265-D288 IonicContact ND1-OD2 2.82Å; H265-D288 PolarHBondContact ND1-OD2 3.27Å
266R97.6Very high96.3Very high199 Ų19941.7 Ų41.775%0.75122%0.224SC*.SBendtrans-107.20.1-178.1-62.3-175.7-175.9-82.8-6.6113.8M245 D288M245-R266 VanDerWaalsContact CE-CA 3.41Å; M245-R266 WeakPolarHBondContact CE-O 3.5Å; R266-D288 HydrophobicContact CB-CB 4.03Å; R266-D288 PolarHBondContact N-OD2 3.17Å
267A97.9Very high96.4Very high26 Ų2642 Ų4222%0.21522%0.217CC..SBendtrans-149.9-175172.600000109.9D287 D288A267-D287 HydrophobicContact CB-CB 3.6Å; A267-D288 HydrophobicContact CB-CB 4.03Å
268C97.8Very high96.6Very high30 Ų3039.1 Ų39.120%0.20320%0.2CC..  trans-61.2134.7-174-55.10000111.8D243 G244 A286 D287D243-C268 VanDerWaalsContact CA-SG 3.54Å; G244-C268 WeakPolarHBondContact O-CA 3.2Å; C268-A286 CarbonylContact O-C 3.51Å; C268-A286 WeakPolarHBondContact O-CA 3.42Å; C268-A286 WeakPolarHBondContact O-CB 3.47Å; C268-D287 PolarHBondContact O-N 2.82Å
269V98.2Very high96.6Very high3 Ų339.4 Ų39.42%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-81.9128.9174.9-171.20000109.2M240 G244 V247 H265 A285 A286M240-V269 HydrophobicContact SD-CB 3.85Å; M240-V269 HydrophobicContact SD-CG1 3.56Å; M240-V269 VanDerWaalsContact SD-CG1 3.56Å; G244-V269 PolarHBondContact O-N 3.07Å; V247-V269 HydrophobicContact CG2-CB 4.43Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.37Å; H265-V269 HydrophobicContact CB-CG2 4.21Å; V269-A285 WeakPolarHBondContact CG1-O 3.48Å; V269-A286 HydrophobicContact CG2-CB 4.47Å
270N96.8Very high96.7Very high47 Ų4739.2 Ų39.225%0.25120%0.202SC..EExtended strand (participates in β ladder)trans-113.5-20.5-176.8-61.3-42.8000113.4M240 A285 D287 I316M240-N270 VanDerWaalsContact CE-C 3.42Å; M240-N270 WeakPolarHBondContact CE-O 3.34Å; N270-A285 PolarHBondContact N-O 2.76Å; N270-D287 PolarHBondContact ND2-OD1 3.46Å; N270-I316 WeakPolarHBondContact CB-O 3.36Å; N270-I316 PolarHBondContact ND2-O 2.95Å
271G96.3Very high96.8Very high5 Ų540.8 Ų40.85%0.05221%0.208CC..EExtended strand (participates in β ladder)trans-140.4141.7-173.700000114T284 A285 V319G271-T284 WeakPolarHBondContact O-CA 3.5Å; G271-A285 PolarHBondContact N-O 3.37Å; G271-A285 VanDerWaalsContact N-O 3.07Å; G271-A285 PolarHBondContact O-N 3.05Å; G271-V319 VanDerWaalsContact C-CG1 3.46Å
272I98.1Very high96.9Very high16 Ų1637 Ų378%0.08219%0.193CC..EExtended strand (participates in β ladder)trans-135.6129.3174.5-55.9168.4000108.6C228 A238 M240 V247 I282 C283C228-I272 HydrophobicContact CB-CB 4.31Å; C228-I272 HydrophobicContact CB-CG2 3.98Å; A238-I272 HydrophobicContact CB-CD1 4.43Å; A238-I272 HydrophobicContact CB-CG2 3.9Å; M240-I272 HydrophobicContact CB-CD1 4.02Å; M240-I272 HydrophobicContact CE-CD1 4.05Å; M240-I272 HydrophobicContact CE-CG1 3.98Å; M240-I272 HydrophobicContact CG-CD1 3.77Å; M240-I272 HydrophobicContact SD-CD1 3.72Å; M240-I272 HydrophobicContact SD-CG1 3.81Å; V247-I272 HydrophobicContact CG1-CD1 3.77Å; V247-I272 HydrophobicContact CG1-CG1 4.28Å; V247-I272 HydrophobicContact CG2-CD1 4.04Å; V247-I272 HydrophobicContact CG2-CG1 4.02Å; I272-I282 HydrophobicContact CG2-CD1 3.58Å; I272-I282 HydrophobicContact CG2-CG1 4Å; I272-C283 WeakPolarHBondContact CA-O 3.26Å
273A97.9Very high96.9Very high6 Ų637 Ų375%0.0519%0.193CC..EExtended strand (participates in β ladder)trans-141117.4174.600000111.6C283 V319 W321A273-C283 PolarHBondContact N-O 3.38Å; A273-C283 PolarHBondContact O-N 3.36Å; A273-V319 HydrophobicContact CB-CG1 4.11Å; A273-V319 HydrophobicContact CB-CG2 4.46Å; A273-W321 HydrophobicContact CB-CB 4.33Å
274W97.9Very high97.1Very high13 Ų1332 Ų325%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-71.6143.4171.6-71.194.9000111.6C228 W229 N230 A238 I249 I282 I296C228-W274 PolarHBondContact O-NE1 2.85Å; W229-W274 VanDerWaalsContact O-CD1 3.23Å; N230-W274 HydrophobicContact CB-CD2 3.67Å; N230-W274 HydrophobicContact CB-CE3 3.78Å; N230-W274 HydrophobicContact CB-CG 4.17Å; N230-W274 HydrophobicContact CB-CH2 4.11Å; N230-W274 HydrophobicContact CB-CZ2 4.02Å; N230-W274 HydrophobicContact CB-CZ3 4Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.49Å; A238-W274 HydrophobicContact CB-CZ2 3.91Å; I249-W274 HydrophobicContact CD1-CH2 4.26Å; I249-W274 HydrophobicContact CD1-CZ2 4.07Å; I249-W274 HydrophobicContact CG2-CH2 4.24Å; I249-W274 HydrophobicContact CG2-CZ2 4.45Å; W274-I282 HydrophobicContact CD2-CB 4.18Å; W274-I282 HydrophobicContact CD2-CD1 3.88Å; W274-I282 HydrophobicContact CD2-CG1 4.03Å; W274-I282 HydrophobicContact CE3-CB 3.9Å; W274-I282 HydrophobicContact CE3-CD1 4.3Å; W274-I282 HydrophobicContact CE3-CG1 4.27Å; W274-I282 HydrophobicContact CG-CD1 4.42Å; W274-I282 HydrophobicContact CG-CG1 4.34Å; W274-I282 HydrophobicContact CH2-CD1 4.23Å; W274-I282 HydrophobicContact CZ2-CD1 3.79Å; W274-I282 HydrophobicContact CZ3-CB 4.17Å; W274-I282 HydrophobicContact CZ3-CD1 4.46Å; W274-I296 HydrophobicContact CH2-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CG1 4.44Å
275A97.1Very high97.2Very high0 Ų029.9 Ų29.90%016%0.155CC..  trans-68.1132.4175.500000110.8H277 S278 H281 W321A275-H277 PolarHBondContact O-N 2.93Å; A275-S278 VanDerWaalsContact O-O 3.07Å; A275-H281 HydrophobicContact CB-CB 3.58Å; A275-H281 WeakPolarHBondContact CB-O 3.47Å; A275-H281 PolarHBondContact N-O 2.81Å; A275-W321 HydrophobicContact CB-CD2 4.13Å; A275-W321 HydrophobicContact CB-CE3 3.97Å; A275-W321 HydrophobicContact CB-CH2 3.81Å; A275-W321 HydrophobicContact CB-CZ2 3.97Å; A275-W321 HydrophobicContact CB-CZ3 3.8Å
276P94.4Very high97.2Very high27 Ų2729.4 Ų29.418%0.17515%0.153CC..THydrogen-bonded Turntrans-75.3-15.6179.729.1-33.2000112.5Q232 W321 A322 P326Q232-P276 PolarHBondContact NE2-O 2.8Å; P276-W321 HydrophobicContact CG-CG 4.15Å; P276-A322 WeakPolarHBondContact CG-O 3.27Å; P276-P326 HydrophobicContact CG-CB 4.01Å; P276-P326 HydrophobicContact CG-CG 4.35Å
277H93.6Very high97.2Very high96 Ų9622 Ų2244%0.44413%0.128SC..THydrogen-bonded Turntrans-105.4-5.6-177.964.7-96.8000114A275 H281 W321 P326A275-H277 PolarHBondContact O-N 2.93Å; H277-H281 AromaticContact NE2-ND1 3.85Å; H277-W321 AromaticContact CE1-CZ2 3.63Å; H277-P326 HydrophobicContact CB-CB 3.8Å; H277-P326 HydrophobicContact CB-CG 4.47Å; H277-P326 PolarHBondContact CE1-O 2.77Å; H277-P326 WeakPolarHBondContact ND1-CB 3.33Å; H277-P326 PolarHBondContact ND1-O 2.9Å; H277-P326 VanDerWaalsContact ND1-O 3.16Å
278S95.9Very high97.2Very high22 Ų2222.1 Ų22.115%0.15413%0.126CC..  trans-142.3132.1-175.8175.50000110.5A275 C280 H281A275-S278 VanDerWaalsContact O-O 3.07Å; S278-C280 PolarHBondContact O-N 2.98Å; S278-C280 PolarHBondContact OG-N 3.34Å; S278-C280 VanDerWaalsContact OG-N 3.11Å; S278-H281 PolarHBondContact OG-N 3.35Å
279S96Very high97.3Very high48 Ų4824 Ų2434%0.33613%0.131SC..SBendtrans-74.5-9.3171.557.50000113.1N230N230-S279 PolarHBondContact ND2-O 2.93Å
280C96.4Very high97.3Very high30 Ų3025.9 Ų25.920%0.20314%0.14CC..SBendtrans-112.7-5-174.2-56.60000113.1S278 D295 I296 Q297S278-C280 PolarHBondContact O-N 2.98Å; S278-C280 PolarHBondContact OG-N 3.34Å; S278-C280 VanDerWaalsContact OG-N 3.11Å; C280-D295 WeakPolarHBondContact O-CA 3.24Å; C280-I296 HydrophobicContact CB-CG1 4.34Å; C280-I296 WeakPolarHBondContact O-CG1 3.31Å; C280-I296 PolarHBondContact O-N 3.34Å; C280-Q297 HydrophobicContact CB-CB 4.06Å
281H97.4Very high97.3Very high48 Ų4823.9 Ų23.922%0.22213%0.129CC..EExtended strand (participates in β ladder)trans-105.7133.6-179.4-61.3159.8000111.6A275 H277 S278 W294A275-H281 HydrophobicContact CB-CB 3.58Å; A275-H281 WeakPolarHBondContact CB-O 3.47Å; A275-H281 PolarHBondContact N-O 2.81Å; H277-H281 AromaticContact NE2-ND1 3.85Å; S278-H281 PolarHBondContact OG-N 3.35Å; H281-W294 WeakPolarHBondContact CA-O 3.35Å
282I98.1Very high97.4Very high0 Ų023.7 Ų23.70%013%0.127CC..EExtended strand (participates in β ladder)trans-138.8140.5176.1-171.8175.4000108.9A238 I249 L262 I272 W274 I293 W294 I296A238-I282 HydrophobicContact CB-CD1 3.73Å; I249-I282 HydrophobicContact CD1-CD1 3.93Å; L262-I282 HydrophobicContact CD1-CG2 3.76Å; I272-I282 HydrophobicContact CG2-CD1 3.58Å; I272-I282 HydrophobicContact CG2-CG1 4Å; W274-I282 HydrophobicContact CD2-CB 4.18Å; W274-I282 HydrophobicContact CD2-CD1 3.88Å; W274-I282 HydrophobicContact CD2-CG1 4.03Å; W274-I282 HydrophobicContact CE3-CB 3.9Å; W274-I282 HydrophobicContact CE3-CD1 4.3Å; W274-I282 HydrophobicContact CE3-CG1 4.27Å; W274-I282 HydrophobicContact CG-CD1 4.42Å; W274-I282 HydrophobicContact CG-CG1 4.34Å; W274-I282 HydrophobicContact CH2-CD1 4.23Å; W274-I282 HydrophobicContact CZ2-CD1 3.79Å; W274-I282 HydrophobicContact CZ3-CB 4.17Å; W274-I282 HydrophobicContact CZ3-CD1 4.46Å; I282-I293 WeakPolarHBondContact O-CA 3.29Å; I282-W294 HydrophobicContact CG2-CB 3.77Å; I282-W294 HydrophobicContact CG2-CG 4.23Å; I282-W294 PolarHBondContact N-O 2.76Å; I282-W294 PolarHBondContact O-N 2.8Å; I282-I296 HydrophobicContact CG2-CG2 4.07Å
283C98.3Very high97.4Very high2 Ų223.4 Ų23.41%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-107.3135.7173.2-174.70000110.1I272 A273 L292 I293 W321 I329I272-C283 WeakPolarHBondContact CA-O 3.26Å; A273-C283 PolarHBondContact N-O 3.38Å; A273-C283 PolarHBondContact O-N 3.36Å; C283-L292 CarbonylContact C-O 3.5Å; C283-L292 VanDerWaalsContact CA-O 3.23Å; C283-L292 WeakPolarHBondContact CA-O 3.46Å; C283-I293 HydrophobicContact CB-CG1 4.4Å; C283-W321 HydrophobicContact CB-CE3 3.96Å; C283-W321 HydrophobicContact CB-CZ3 3.75Å; C283-I329 HydrophobicContact CB-CD1 3.92Å
284T98.5Very high97.4Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-122.1147.517461.90000109.6V247 L262 H265 G271 A291 L292 W294V247-T284 HydrophobicContact CB-CG2 4.26Å; V247-T284 HydrophobicContact CG2-CG2 3.66Å; L262-T284 HydrophobicContact CD1-CG2 4.39Å; H265-T284 WeakPolarHBondContact NE2-CB 3.39Å; H265-T284 PolarHBondContact NE2-OG1 2.82Å; G271-T284 WeakPolarHBondContact O-CA 3.5Å; T284-A291 CarbonylContact O-C 3.46Å; T284-A291 VanDerWaalsContact O-CA 3.27Å; T284-A291 WeakPolarHBondContact O-CA 3.5Å; T284-L292 PolarHBondContact N-O 2.58Å; T284-L292 PolarHBondContact O-N 3.09Å; T284-W294 PolarHBondContact OG1-NE1 3.32Å
285A98.3Very high97.4Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-138.8143.8179.900000111.3V269 N270 G271 Q290 I316 V319V269-A285 WeakPolarHBondContact CG1-O 3.48Å; N270-A285 PolarHBondContact N-O 2.76Å; G271-A285 PolarHBondContact N-O 3.37Å; G271-A285 VanDerWaalsContact N-O 3.07Å; G271-A285 PolarHBondContact O-N 3.05Å; A285-Q290 WeakPolarHBondContact CA-O 3.42Å; A285-I316 HydrophobicContact CB-CB 3.93Å; A285-I316 HydrophobicContact CB-CD1 4.45Å; A285-I316 HydrophobicContact CB-CG2 3.54Å; A285-V319 HydrophobicContact CB-CB 3.89Å; A285-V319 HydrophobicContact CB-CG1 4.01Å
286A98.5Very high97.3Very high0 Ų024.7 Ų24.70%013%0.133CC..EExtended strand (participates in β ladder)trans-146.5173.4-167.400000114H265 C268 V269 D288 H289 Q290 I316H265-A286 HydrophobicContact CB-CB 4.26Å; H265-A286 VanDerWaalsContact ND1-CB 3.29Å; H265-A286 WeakPolarHBondContact ND1-CB 3.38Å; C268-A286 CarbonylContact O-C 3.51Å; C268-A286 WeakPolarHBondContact O-CA 3.42Å; C268-A286 WeakPolarHBondContact O-CB 3.47Å; V269-A286 HydrophobicContact CG2-CB 4.47Å; A286-D288 WeakPolarHBondContact CB-OD1 3.24Å; A286-D288 PolarHBondContact O-N 3.43Å; A286-H289 PolarHBondContact O-N 2.78Å; A286-Q290 PolarHBondContact N-O 3.44Å; A286-I316 PolarHBondContact O-N 3.23Å; A286-I316 VanDerWaalsContact O-N 3.15Å
287D98.3Very high97.2Very high43 Ų4330.2 Ų30.223%0.2316%0.156CC..THydrogen-bonded Turntrans-67.5-9.6174.4-72.1-18.8000113.6A267 C268 N270 H289 E315A267-D287 HydrophobicContact CB-CB 3.6Å; C268-D287 PolarHBondContact O-N 2.82Å; N270-D287 PolarHBondContact ND2-OD1 3.46Å; D287-H289 PolarHBondContact O-CD2 2.94Å; D287-H289 VanDerWaalsContact O-CD2 3.24Å; D287-H289 PolarHBondContact O-N 3.2Å; D287-H289 VanDerWaalsContact O-N 3.15Å; D287-E315 HydrophobicContact CB-CG 4.18Å; D287-E315 WeakPolarHBondContact O-CG 3.34Å
288D98.3Very high97Very high29 Ų2931.5 Ų31.516%0.15516%0.162CC..THydrogen-bonded Turntrans-79.411.4174.161.810.4000112.8H265 R266 A267 A286 Q290H265-D288 WeakPolarHBondContact CA-OD2 3.42Å; H265-D288 WeakPolarHBondContact CB-OD2 3.27Å; H265-D288 IonicContact CE1-OD1 3.8Å; H265-D288 IonicContact CG-OD2 2.72Å; H265-D288 IonicContact ND1-OD1 3.81Å; H265-D288 PolarHBondContact ND1-OD1 3.25Å; H265-D288 IonicContact ND1-OD2 2.82Å; H265-D288 PolarHBondContact ND1-OD2 3.27Å; R266-D288 HydrophobicContact CB-CB 4.03Å; R266-D288 PolarHBondContact N-OD2 3.17Å; A267-D288 HydrophobicContact CB-CB 4.03Å; A286-D288 WeakPolarHBondContact CB-OD1 3.24Å; A286-D288 PolarHBondContact O-N 3.43Å; D288-Q290 PolarHBondContact O-N 3.3Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.37Å; D288-Q290 VanDerWaalsContact OD1-CB 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.26Å; D288-Q290 PolarHBondContact OD1-N 3.36Å
289H98.2Very high96.7Very high68 Ų6832.1 Ų32.132%0.31516%0.164SC..SBendtrans64.411.6-175-46.8176.5000113.4A286 D287 T311 A312 G314 E315A286-H289 PolarHBondContact O-N 2.78Å; D287-H289 PolarHBondContact O-CD2 2.94Å; D287-H289 VanDerWaalsContact O-CD2 3.24Å; D287-H289 PolarHBondContact O-N 3.2Å; D287-H289 VanDerWaalsContact O-N 3.15Å; H289-T311 HydrophobicContact CB-CG2 4.37Å; H289-T311 CarbonylContact O-C 3.58Å; H289-T311 WeakPolarHBondContact O-CA 3.41Å; H289-A312 PolarHBondContact O-N 3.09Å; H289-G314 WeakPolarHBondContact CA-O 3.41Å; H289-G314 WeakPolarHBondContact CB-O 3.3Å; H289-E315 PolarHBondContact CD2-N 3.19Å; H289-E315 VanDerWaalsContact CD2-N 3.27Å
290Q98.1Very high96.1Very high44 Ų4435.5 Ų35.521%0.20618%0.184CC..EExtended strand (participates in β ladder)trans-101139.8-177-55.2-161.1-46.700112.7A285 A286 D288 L292 Y310A285-Q290 WeakPolarHBondContact CA-O 3.42Å; A286-Q290 PolarHBondContact N-O 3.44Å; D288-Q290 PolarHBondContact O-N 3.3Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.37Å; D288-Q290 VanDerWaalsContact OD1-CB 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.26Å; D288-Q290 PolarHBondContact OD1-N 3.36Å; Q290-L292 HydrophobicContact CB-CD2 4.04Å; Q290-L292 HydrophobicContact CB-CG 4.31Å; Q290-Y310 CarbonylContact C-O 3.53Å; Q290-Y310 VanDerWaalsContact CA-O 3.24Å; Q290-Y310 WeakPolarHBondContact CA-O 3.43Å
291A98.3Very high95.6Very high4 Ų442.8 Ų42.83%0.03321%0.207CC..EExtended strand (participates in β ladder)trans-109.2120.4158.600000108.5T284 Y310 I316 I331T284-A291 CarbonylContact O-C 3.46Å; T284-A291 VanDerWaalsContact O-CA 3.27Å; T284-A291 WeakPolarHBondContact O-CA 3.5Å; A291-Y310 PolarHBondContact N-O 2.84Å; A291-Y310 PolarHBondContact O-N 3.27Å; A291-I316 HydrophobicContact CB-CD1 3.91Å; A291-I331 HydrophobicContact CB-CG2 4.26Å
292L98.3Very high95.1Very high1 Ų144.3 Ų44.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-111.1135.1-176.2-57.4-177.7000109.6N264 C283 T284 Q290 W294 P306 L308 A309N264-L292 HydrophobicContact CB-CD1 4.18Å; C283-L292 CarbonylContact C-O 3.5Å; C283-L292 VanDerWaalsContact CA-O 3.23Å; C283-L292 WeakPolarHBondContact CA-O 3.46Å; T284-L292 PolarHBondContact N-O 2.58Å; T284-L292 PolarHBondContact O-N 3.09Å; Q290-L292 HydrophobicContact CB-CD2 4.04Å; Q290-L292 HydrophobicContact CB-CG 4.31Å; L292-W294 HydrophobicContact CB-CZ2 4.11Å; L292-W294 HydrophobicContact CD1-CH2 4.31Å; L292-W294 HydrophobicContact CD1-CZ2 3.65Å; L292-P306 HydrophobicContact CB-CB 3.98Å; L292-P306 HydrophobicContact CB-CG 4.37Å; L292-P306 HydrophobicContact CD1-CG 4.26Å; L292-P306 HydrophobicContact CD2-CB 4.46Å; L292-P306 HydrophobicContact CD2-CG 4.04Å; L292-P306 HydrophobicContact CG-CG 4.45Å; L292-L308 WeakPolarHBondContact CA-O 3.32Å; L292-A309 HydrophobicContact CD2-CB 3.5Å; L292-A309 VanDerWaalsContact CD2-CB 3.5Å
293I98.1Very high94.8Very high11 Ų1145.1 Ų45.16%0.05623%0.232CC..EExtended strand (participates in β ladder)trans-106.8129.4171.4-56.6179000108.3I282 C283 P306 I307 L308 W321 I329 V342I282-I293 WeakPolarHBondContact O-CA 3.29Å; C283-I293 HydrophobicContact CB-CG1 4.4Å; I293-P306 CarbonylContact O-C 3.54Å; I293-P306 WeakPolarHBondContact O-CA 3.38Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.42Å; I293-I307 HydrophobicContact CB-CG1 4.28Å; I293-I307 HydrophobicContact CG2-CD1 4.01Å; I293-I307 HydrophobicContact CG2-CG1 3.95Å; I293-I307 VanDerWaalsContact O-CG1 3.25Å; I293-I307 WeakPolarHBondContact O-CG1 3.32Å; I293-I307 PolarHBondContact O-N 2.6Å; I293-L308 HydrophobicContact CB-CB 4.06Å; I293-L308 HydrophobicContact CD1-CB 4.2Å; I293-L308 HydrophobicContact CD1-CD2 4Å; I293-L308 HydrophobicContact CD1-CG 4.48Å; I293-L308 HydrophobicContact CG1-CB 4.33Å; I293-L308 HydrophobicContact CG1-CD2 4.37Å; I293-L308 PolarHBondContact N-O 2.71Å; I293-L308 PolarHBondContact O-N 3.05Å; I293-W321 HydrophobicContact CD1-CH2 4.2Å; I293-W321 HydrophobicContact CG2-CH2 4.4Å; I293-I329 HydrophobicContact CD1-CD1 3.99Å; I293-I329 HydrophobicContact CG1-CD1 4.39Å; I293-V342 HydrophobicContact CD1-CB 3.79Å; I293-V342 HydrophobicContact CD1-CG1 3.71Å; I293-V342 HydrophobicContact CD1-CG2 4.41Å
294W98Very high94.2Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-113.6143.7-176.5-50.183.5000110.3L262 N264 H281 I282 T284 L292 I296 I303 P306L262-W294 HydrophobicContact CB-CD2 4.06Å; L262-W294 HydrophobicContact CB-CE3 4.22Å; L262-W294 HydrophobicContact CB-CH2 3.99Å; L262-W294 HydrophobicContact CB-CZ2 3.9Å; L262-W294 HydrophobicContact CB-CZ3 4.19Å; L262-W294 HydrophobicContact CD1-CB 4.21Å; L262-W294 HydrophobicContact CD1-CD2 4.06Å; L262-W294 HydrophobicContact CD1-CG 3.79Å; L262-W294 HydrophobicContact CD2-CB 4.36Å; L262-W294 HydrophobicContact CD2-CD2 4.05Å; L262-W294 HydrophobicContact CD2-CE3 3.93Å; L262-W294 HydrophobicContact CD2-CG 4.26Å; L262-W294 HydrophobicContact CD2-CZ3 4.45Å; L262-W294 HydrophobicContact CG-CD2 4.28Å; L262-W294 HydrophobicContact CG-CG 4.46Å; N264-W294 HydrophobicContact CB-CH2 3.4Å; N264-W294 HydrophobicContact CB-CZ2 4.18Å; N264-W294 HydrophobicContact CB-CZ3 4.16Å; H281-W294 WeakPolarHBondContact CA-O 3.35Å; I282-W294 HydrophobicContact CG2-CB 3.77Å; I282-W294 HydrophobicContact CG2-CG 4.23Å; I282-W294 PolarHBondContact N-O 2.76Å; I282-W294 PolarHBondContact O-N 2.8Å; T284-W294 PolarHBondContact OG1-NE1 3.32Å; L292-W294 HydrophobicContact CB-CZ2 4.11Å; L292-W294 HydrophobicContact CD1-CH2 4.31Å; L292-W294 HydrophobicContact CD1-CZ2 3.65Å; W294-I296 HydrophobicContact CB-CG2 4.46Å; W294-I303 HydrophobicContact CE3-CG2 3.94Å; W294-I303 HydrophobicContact CZ3-CG2 4.47Å; W294-P306 HydrophobicContact CD2-CB 4.08Å; W294-P306 HydrophobicContact CE3-CB 4.04Å; W294-P306 HydrophobicContact CZ3-CB 4.34Å
295D96.4Very high93.9Very high43 Ų4357.3 Ų57.323%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-105.8115.6165.4-178.63.7000109.5C280 Q297 I307C280-D295 WeakPolarHBondContact O-CA 3.24Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.4Å; D295-Q297 PolarHBondContact OD1-N 2.98Å; D295-I307 HydrophobicContact CB-CD1 4.25Å; D295-I307 HydrophobicContact CB-CG2 3.78Å
296I95.2Very high93.8Very high2 Ų258.7 Ų58.71%0.0130%0.301CS..  trans-99.910.8-178.277.2175.9000112.9I249 L262 W274 C280 I282 W294 Q298 M299 I303I249-I296 HydrophobicContact CG2-CD1 4.49Å; L262-I296 HydrophobicContact CD2-CG2 4.39Å; W274-I296 HydrophobicContact CH2-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CG1 4.44Å; C280-I296 HydrophobicContact CB-CG1 4.34Å; C280-I296 WeakPolarHBondContact O-CG1 3.31Å; C280-I296 PolarHBondContact O-N 3.34Å; I282-I296 HydrophobicContact CG2-CG2 4.07Å; W294-I296 HydrophobicContact CB-CG2 4.46Å; I296-Q298 PolarHBondContact O-N 3.47Å; I296-Q298 VanDerWaalsContact O-N 3.11Å; I296-M299 HydrophobicContact CB-CE 3.86Å; I296-M299 HydrophobicContact CB-CG 4.05Å; I296-M299 HydrophobicContact CB-SD 3.85Å; I296-M299 HydrophobicContact CD1-CE 3.33Å; I296-M299 HydrophobicContact CD1-SD 3.93Å; I296-M299 HydrophobicContact CG1-CE 3.53Å; I296-M299 HydrophobicContact CG1-SD 4.16Å; I296-M299 WeakPolarHBondContact O-CB 3.35Å; I296-M299 WeakPolarHBondContact O-CE 3.39Å; I296-M299 WeakPolarHBondContact O-CG 3.44Å; I296-M299 PolarHBondContact O-N 3.12Å; I296-M299 VanDerWaalsContact O-N 3.1Å; I296-I303 HydrophobicContact CB-CD1 3.67Å; I296-I303 HydrophobicContact CG2-CD1 3.58Å
297Q93.8Very high93.7Very high143 Ų14363.5 Ų63.567%0.66833%0.326SS*.THydrogen-bonded Turntrans-56.5-31.2-178-175.5178.620.500113C280 D295 M299C280-Q297 HydrophobicContact CB-CB 4.06Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.4Å; D295-Q297 PolarHBondContact OD1-N 2.98Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.15Å
298Q88.8Confident93.7Very high123 Ų12364.8 Ų64.858%0.57533%0.333SS*.THydrogen-bonded Turntrans-84.23.8-176.9-59-169.526.700114.1I296 R301I296-Q298 PolarHBondContact O-N 3.47Å; I296-Q298 VanDerWaalsContact O-N 3.11Å; Q298-R301 HydrophobicContact CB-CB 4.35Å; Q298-R301 WeakPolarHBondContact O-CA 3.31Å; Q298-R301 WeakPolarHBondContact O-CB 3.21Å; Q298-R301 PolarHBondContact O-N 3.08Å
299M89.6Confident93.6Very high36 Ų3666.3 Ų66.318%0.17735%0.349CS..THydrogen-bonded Turntrans-53.2141.5175.1-75.2-174.7-50.300111.8Y236 I249 V259 A260 I296 Q297 R301 I303Y236-M299 HydrophobicContact CD1-CE 4.37Å; Y236-M299 HydrophobicContact CE1-CE 4.02Å; I249-M299 HydrophobicContact CB-SD 4.49Å; I249-M299 HydrophobicContact CG2-SD 4.04Å; V259-M299 HydrophobicContact CG2-SD 3.9Å; A260-M299 HydrophobicContact CB-CG 3.96Å; A260-M299 HydrophobicContact CB-SD 3.74Å; I296-M299 HydrophobicContact CB-CE 3.86Å; I296-M299 HydrophobicContact CB-CG 4.05Å; I296-M299 HydrophobicContact CB-SD 3.85Å; I296-M299 HydrophobicContact CD1-CE 3.33Å; I296-M299 HydrophobicContact CD1-SD 3.93Å; I296-M299 HydrophobicContact CG1-CE 3.53Å; I296-M299 HydrophobicContact CG1-SD 4.16Å; I296-M299 WeakPolarHBondContact O-CB 3.35Å; I296-M299 WeakPolarHBondContact O-CE 3.39Å; I296-M299 WeakPolarHBondContact O-CG 3.44Å; I296-M299 PolarHBondContact O-N 3.12Å; I296-M299 VanDerWaalsContact O-N 3.1Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.15Å; M299-R301 VanDerWaalsContact C-N 3.34Å; M299-I303 HydrophobicContact CG-CD1 4.09Å
300P82.9Confident93.6Very high118 Ų11865.4 Ų65.477%0.76634%0.344SS*.THydrogen-bonded Turncis-88.314.87.737.2-37.4000113.9
301R87.3Confident93.6Very high184 Ų18467.5 Ų67.569%0.69436%0.359SS*.SBendtrans-63143.2173.7-152.4178.9-168.9-1782.1109.1Q298 M299 I303Q298-R301 HydrophobicContact CB-CB 4.35Å; Q298-R301 WeakPolarHBondContact O-CA 3.31Å; Q298-R301 WeakPolarHBondContact O-CB 3.21Å; Q298-R301 PolarHBondContact O-N 3.08Å; M299-R301 VanDerWaalsContact C-N 3.34Å; R301-I303 PolarHBondContact O-N 3.35Å
302A85.3Confident93.5Very high79 Ų7967.7 Ų67.765%0.65336%0.361SS*.  trans-57.1137.7179.100000110.8
303I91.4Very high93.5Very high17 Ų1774.3 Ų74.39%0.08739%0.392CS..  trans-101.6103.2177-56.4169.1000105.5A260 L262 W294 I296 M299 R301A260-I303 HydrophobicContact CB-CD1 4.15Å; L262-I303 HydrophobicContact CD2-CB 4.22Å; L262-I303 HydrophobicContact CD2-CD1 3.74Å; L262-I303 HydrophobicContact CD2-CG2 4.2Å; W294-I303 HydrophobicContact CE3-CG2 3.94Å; W294-I303 HydrophobicContact CZ3-CG2 4.47Å; I296-I303 HydrophobicContact CB-CD1 3.67Å; I296-I303 HydrophobicContact CG2-CD1 3.58Å; M299-I303 HydrophobicContact CG-CD1 4.09Å; R301-I303 PolarHBondContact O-N 3.35Å
304E86.4Confident93.4Very high149 Ų14974 Ų7470%0.69639%0.391SS*.  trans-82.9-42.3-171.6-62.9-176.4170.800111.9N264N264-E304 PolarHBondContact ND2-O 2.95Å
305D93.1Very high93.4Very high110 Ų11078.5 Ų78.559%0.58841%0.412SS*.SBendtrans-131.1145.1-173.7-68.3-62.2000112.3N264N264-D305 PolarHBondContact ND2-OD1 2.93Å
306P96.4Very high93.5Very high28 Ų2876.4 Ų76.418%0.18240%0.401CS..  trans-67.2151.3167.931.3-35.5000110.6L292 I293 W294L292-P306 HydrophobicContact CB-CB 3.98Å; L292-P306 HydrophobicContact CB-CG 4.37Å; L292-P306 HydrophobicContact CD1-CG 4.26Å; L292-P306 HydrophobicContact CD2-CB 4.46Å; L292-P306 HydrophobicContact CD2-CG 4.04Å; L292-P306 HydrophobicContact CG-CG 4.45Å; I293-P306 CarbonylContact O-C 3.54Å; I293-P306 WeakPolarHBondContact O-CA 3.38Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.42Å; W294-P306 HydrophobicContact CD2-CB 4.08Å; W294-P306 HydrophobicContact CE3-CB 4.04Å; W294-P306 HydrophobicContact CZ3-CB 4.34Å
307I96.6Very high93.5Very high102 Ų10279.1 Ų79.152%0.52342%0.416SS..SBendtrans-80.9-21.8176.958.6162.1000112.8I293 D295I293-I307 HydrophobicContact CB-CG1 4.28Å; I293-I307 HydrophobicContact CG2-CD1 4.01Å; I293-I307 HydrophobicContact CG2-CG1 3.95Å; I293-I307 VanDerWaalsContact O-CG1 3.25Å; I293-I307 WeakPolarHBondContact O-CG1 3.32Å; I293-I307 PolarHBondContact O-N 2.6Å; D295-I307 HydrophobicContact CB-CD1 4.25Å; D295-I307 HydrophobicContact CB-CG2 3.78Å
308L96.4Very high93.5Very high70 Ų7073.8 Ų73.837%0.36639%0.392SS..EExtended strand (participates in β ladder)trans-146.6142.8176.1-168.6146.3000109.7L292 I293L292-L308 WeakPolarHBondContact CA-O 3.32Å; I293-L308 HydrophobicContact CB-CB 4.06Å; I293-L308 HydrophobicContact CD1-CB 4.2Å; I293-L308 HydrophobicContact CD1-CD2 4Å; I293-L308 HydrophobicContact CD1-CG 4.48Å; I293-L308 HydrophobicContact CG1-CB 4.33Å; I293-L308 HydrophobicContact CG1-CD2 4.37Å; I293-L308 PolarHBondContact N-O 2.71Å; I293-L308 PolarHBondContact O-N 3.05Å
309A97.1Very high93.9Very high61 Ų6168 Ų6850%0.50437%0.365SS..EExtended strand (participates in β ladder)trans-132.2131.2174.400000109.7L292L292-A309 HydrophobicContact CD2-CB 3.5Å; L292-A309 VanDerWaalsContact CD2-CB 3.5Å
310Y97.6Very high94.3Very high49 Ų4968.8 Ų68.819%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-114.5145.6170.3178.4-99.8000109.3I10 Q290 A291 A312 I331 E338 L340I10-Y310 HydrophobicContact CD1-CE2 3.81Å; Q290-Y310 CarbonylContact C-O 3.53Å; Q290-Y310 VanDerWaalsContact CA-O 3.24Å; Q290-Y310 WeakPolarHBondContact CA-O 3.43Å; A291-Y310 PolarHBondContact N-O 2.84Å; A291-Y310 PolarHBondContact O-N 3.27Å; Y310-A312 HydrophobicContact CE1-CB 4.02Å; Y310-I331 HydrophobicContact CD1-CD1 3.84Å; Y310-I331 HydrophobicContact CE1-CD1 3.46Å; Y310-I331 VanDerWaalsContact CE1-CD1 3.46Å; Y310-E338 PolarHBondContact OH-OE2 2.68Å; Y310-L340 HydrophobicContact CD1-CD1 3.48Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.48Å; Y310-L340 HydrophobicContact CD1-CD2 4.44Å; Y310-L340 HydrophobicContact CD2-CD1 4.06Å; Y310-L340 HydrophobicContact CD2-CD2 4.29Å; Y310-L340 HydrophobicContact CE1-CD1 3.79Å; Y310-L340 HydrophobicContact CE1-CD2 3.98Å; Y310-L340 HydrophobicContact CE2-CD1 4.34Å; Y310-L340 HydrophobicContact CE2-CD2 3.82Å; Y310-L340 HydrophobicContact CG-CD1 3.61Å
311T97.8Very high95Very high88 Ų8864.2 Ų64.254%0.5434%0.335SS..EExtended strand (participates in β ladder)trans-121.8115.2176.7-58.10000109.3H289H289-T311 HydrophobicContact CB-CG2 4.37Å; H289-T311 CarbonylContact O-C 3.58Å; H289-T311 WeakPolarHBondContact O-CA 3.41Å
312A97.5Very high95.4Very high7 Ų755.4 Ų55.46%0.05830%0.302CS..  trans-81.2172.4176.300000111.5H289 Y310 G314 I316 I331 Y333H289-A312 PolarHBondContact O-N 3.09Å; Y310-A312 HydrophobicContact CE1-CB 4.02Å; A312-G314 PolarHBondContact O-N 3.29Å; A312-I316 HydrophobicContact CB-CD1 3.85Å; A312-I316 HydrophobicContact CB-CG1 3.84Å; A312-I331 HydrophobicContact CB-CD1 4.06Å; A312-Y333 HydrophobicContact CB-CD1 3.88Å; A312-Y333 HydrophobicContact CB-CE1 3.96Å; A312-Y333 HydrophobicContact CB-CG 4.31Å
313E96.9Very high95.8Very high140 Ų14054.6 Ų54.665%0.65429%0.291SS*.SBendtrans-81.91176.8-61176.5148.500113.3K12 Y333K12-E313 IonicContact NZ-OE2 2.75Å; K12-E313 PolarHBondContact NZ-OE2 2.76Å; E313-Y333 HydrophobicContact CB-CE2 3.83Å; E313-Y333 PolarHBondContact OE2-OH 2.97Å
314G97.2Very high95.8Very high4 Ų455.9 Ų55.94%0.04130%0.3CS..SBendtrans-166.1180177.900000113H289 A312 I316H289-G314 WeakPolarHBondContact CA-O 3.41Å; H289-G314 WeakPolarHBondContact CB-O 3.3Å; A312-G314 PolarHBondContact O-N 3.29Å; G314-I316 PolarHBondContact O-N 3Å
315E97.9Very high96.2Very high95 Ų9549.5 Ų49.544%0.44427%0.27SS..  trans-58.6122.6179.2-65.5167.5176.400110.9D287 H289 N317 Y333D287-E315 HydrophobicContact CB-CG 4.18Å; D287-E315 WeakPolarHBondContact O-CG 3.34Å; H289-E315 PolarHBondContact CD2-N 3.19Å; H289-E315 VanDerWaalsContact CD2-N 3.27Å; E315-N317 PolarHBondContact O-N 2.92Å; E315-N317 PolarHBondContact O-ND2 2.89Å; E315-Y333 WeakPolarHBondContact O-CA 3.4Å; E315-Y333 WeakPolarHBondContact O-CB 3.4Å
316I98.1Very high96.2Very high0 Ų046.3 Ų46.30%026%0.256CS..EExtended strand (participates in β ladder)trans-87.1112.5-177.4-52179000108.4N270 A285 A286 A291 A312 G314 N318 I331N270-I316 WeakPolarHBondContact CB-O 3.36Å; N270-I316 PolarHBondContact ND2-O 2.95Å; A285-I316 HydrophobicContact CB-CB 3.93Å; A285-I316 HydrophobicContact CB-CD1 4.45Å; A285-I316 HydrophobicContact CB-CG2 3.54Å; A286-I316 PolarHBondContact O-N 3.23Å; A286-I316 VanDerWaalsContact O-N 3.15Å; A291-I316 HydrophobicContact CB-CD1 3.91Å; A312-I316 HydrophobicContact CB-CD1 3.85Å; A312-I316 HydrophobicContact CB-CG1 3.84Å; G314-I316 PolarHBondContact O-N 3Å; I316-N318 WeakPolarHBondContact CG2-O 3.28Å; I316-I331 HydrophobicContact CD1-CD1 4.05Å; I316-I331 HydrophobicContact CD1-CG2 4.49Å; I316-I331 HydrophobicContact CG2-CB 3.92Å; I316-I331 HydrophobicContact CG2-CG2 4.17Å
317N95.1Very high96.1Very high59 Ų5948.7 Ų48.732%0.31627%0.267SS..EExtended strand (participates in β ladder)trans-90.6-22.8-176.1-65.7-58.5000112.9E315 G332E315-N317 PolarHBondContact O-N 2.92Å; E315-N317 PolarHBondContact O-ND2 2.89Å; N317-G332 PolarHBondContact N-O 2.84Å
318N94.4Very high96.1Very high31 Ų3144.3 Ų44.317%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-150.8144.2-175.8-152.5-40.3000110.8M22 I316 Q320 I331 G332M22-N318 VanDerWaalsContact CE-C 3.43Å; M22-N318 HydrophobicContact CE-CB 3.86Å; M22-N318 WeakPolarHBondContact CE-O 3.43Å; M22-N318 HydrophobicContact CG-CB 4.33Å; M22-N318 HydrophobicContact SD-CB 4.49Å; I316-N318 WeakPolarHBondContact CG2-O 3.28Å; N318-Q320 PolarHBondContact OD1-NE2 3.03Å; N318-I331 WeakPolarHBondContact O-CA 3.46Å; N318-G332 PolarHBondContact O-N 3.46Å
319V97.6Very high96.2Very high1 Ų141.2 Ų41.21%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-138.2135.9175.466.60000109.7G271 A273 A285 I329 A330 I331G271-V319 VanDerWaalsContact C-CG1 3.46Å; A273-V319 HydrophobicContact CB-CG1 4.11Å; A273-V319 HydrophobicContact CB-CG2 4.46Å; A285-V319 HydrophobicContact CB-CB 3.89Å; A285-V319 HydrophobicContact CB-CG1 4.01Å; V319-I329 HydrophobicContact CG2-CG2 3.48Å; V319-I329 VanDerWaalsContact CG2-CG2 3.48Å; V319-A330 CarbonylContact C-O 3.56Å; V319-A330 VanDerWaalsContact CA-O 3.32Å; V319-A330 WeakPolarHBondContact CA-O 3.49Å; V319-I331 HydrophobicContact CB-CG2 4.43Å; V319-I331 HydrophobicContact CG2-CG2 3.98Å
320Q97.6Very high96.2Very high52 Ų5238.3 Ų38.324%0.24320%0.203CC..EExtended strand (participates in β ladder)trans-142126.8-179.6-66.3-66.7-45.500110.6M22 N23 W24 N318 A330M22-Q320 HydrophobicContact CE-CB 4.23Å; M22-Q320 HydrophobicContact CE-CG 4.01Å; M22-Q320 HydrophobicContact CG-CG 4.04Å; N23-Q320 PolarHBondContact ND2-OE1 2.82Å; W24-Q320 PolarHBondContact NE1-O 3.29Å; N318-Q320 PolarHBondContact OD1-NE2 3.03Å; Q320-A330 PolarHBondContact N-O 2.99Å; Q320-A330 PolarHBondContact O-N 3.26Å
321W97.1Very high96.3Very high22 Ų2236 Ų368%0.08319%0.194CC..EExtended strand (participates in β ladder)trans-86.3132.8173.4-146.3-53.3000110.7A273 A275 P276 H277 C283 I293 S323 P326 W328 I329 V342A273-W321 HydrophobicContact CB-CB 4.33Å; A275-W321 HydrophobicContact CB-CD2 4.13Å; A275-W321 HydrophobicContact CB-CE3 3.97Å; A275-W321 HydrophobicContact CB-CH2 3.81Å; A275-W321 HydrophobicContact CB-CZ2 3.97Å; A275-W321 HydrophobicContact CB-CZ3 3.8Å; P276-W321 HydrophobicContact CG-CG 4.15Å; H277-W321 AromaticContact CE1-CZ2 3.63Å; C283-W321 HydrophobicContact CB-CE3 3.96Å; C283-W321 HydrophobicContact CB-CZ3 3.75Å; I293-W321 HydrophobicContact CD1-CH2 4.2Å; I293-W321 HydrophobicContact CG2-CH2 4.4Å; W321-S323 PolarHBondContact O-N 3.21Å; W321-P326 PolarHBondContact NE1-O 2.86Å; W321-W328 VanDerWaalsContact CD1-O 3.28Å; W321-I329 HydrophobicContact CD2-CD1 3.87Å; W321-I329 HydrophobicContact CD2-CG1 3.63Å; W321-I329 HydrophobicContact CE3-CD1 3.61Å; W321-I329 HydrophobicContact CE3-CG1 3.91Å; W321-I329 HydrophobicContact CG-CG1 4.05Å; W321-I329 HydrophobicContact CH2-CD1 3.69Å; W321-I329 HydrophobicContact CH2-CG1 4.32Å; W321-I329 HydrophobicContact CZ2-CD1 3.92Å; W321-I329 HydrophobicContact CZ2-CG1 4.06Å; W321-I329 HydrophobicContact CZ3-CD1 3.53Å; W321-I329 HydrophobicContact CZ3-CG1 4.25Å; W321-V342 HydrophobicContact CH2-CG2 4.12Å; W321-V342 HydrophobicContact CZ2-CG2 3.45Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.45Å
322A96.2Very high96.3Very high0 Ų031.8 Ų31.80%017%0.169CC..  trans-74.3113.4177.700000111.3W24 P276 T324 Q325 P326 W328W24-A322 HydrophobicContact CD2-CB 3.67Å; W24-A322 HydrophobicContact CE3-CB 4.09Å; W24-A322 HydrophobicContact CG-CB 3.93Å; W24-A322 HydrophobicContact CH2-CB 4.41Å; W24-A322 HydrophobicContact CZ2-CB 4.05Å; W24-A322 HydrophobicContact CZ3-CB 4.45Å; P276-A322 WeakPolarHBondContact CG-O 3.27Å; A322-T324 VanDerWaalsContact C-N 3.33Å; A322-T324 PolarHBondContact O-N 3.29Å; A322-Q325 HydrophobicContact CB-CB 3.98Å; A322-Q325 WeakPolarHBondContact CB-O 3.45Å; A322-Q325 CarbonylContact O-C 3.6Å; A322-Q325 PolarHBondContact O-N 3.08Å; A322-P326 WeakPolarHBondContact O-CA 3.14Å; A322-W328 HydrophobicContact CB-CB 4.29Å; A322-W328 WeakPolarHBondContact CB-O 3.47Å; A322-W328 PolarHBondContact N-O 3.06Å
323S92.5Very high96.3Very high61 Ų6131.6 Ų31.643%0.42717%0.167SC..SBendtrans-66.5-33.3178.259.40000113.4V26 W321V26-S323 WeakPolarHBondContact CG1-OG 3.19Å; W321-S323 PolarHBondContact O-N 3.21Å
324T92.8Very high96.2Very high44 Ų4428.6 Ų28.627%0.2716%0.155SC..SBendtrans-90.1-12.7179.151.80000113.4S25 V26 A322S25-T324 PolarHBondContact O-OG1 3.49Å; V26-T324 HydrophobicContact CB-CG2 4.4Å; V26-T324 WeakPolarHBondContact O-CG2 3.49Å; A322-T324 VanDerWaalsContact C-N 3.33Å; A322-T324 PolarHBondContact O-N 3.29Å
325Q93.9Very high96.2Very high15 Ų1530.7 Ų30.77%0.0717%0.166CC..SBendtrans-134.473.9174.6-72.792.482.300109.2F32 A322 D327 W328F32-Q325 HydrophobicContact CE1-CG 4.17Å; F32-Q325 HydrophobicContact CZ-CG 4.23Å; A322-Q325 HydrophobicContact CB-CB 3.98Å; A322-Q325 WeakPolarHBondContact CB-O 3.45Å; A322-Q325 CarbonylContact O-C 3.6Å; A322-Q325 PolarHBondContact O-N 3.08Å; Q325-D327 PolarHBondContact O-N 3.05Å; Q325-W328 HydrophobicContact CB-CB 4.41Å; Q325-W328 HydrophobicContact CB-CG 4.42Å; Q325-W328 PolarHBondContact O-N 2.98Å
326P93.6Very high96.2Very high44 Ų4426.5 Ų26.529%0.28615%0.147SC..THydrogen-bonded Turntrans-61.2-12.3-169-26.436.5000116.5P276 H277 W321 A322 W328P276-P326 HydrophobicContact CG-CB 4.01Å; P276-P326 HydrophobicContact CG-CG 4.35Å; H277-P326 HydrophobicContact CB-CB 3.8Å; H277-P326 HydrophobicContact CB-CG 4.47Å; H277-P326 PolarHBondContact CE1-O 2.77Å; H277-P326 WeakPolarHBondContact ND1-CB 3.33Å; H277-P326 PolarHBondContact ND1-O 2.9Å; H277-P326 VanDerWaalsContact ND1-O 3.16Å; W321-P326 PolarHBondContact NE1-O 2.86Å; A322-P326 WeakPolarHBondContact O-CA 3.14Å; P326-W328 PolarHBondContact O-N 3.23Å
327D94.6Very high96.2Very high78 Ų7826.5 Ų26.542%0.41715%0.147SC..THydrogen-bonded Turntrans-81.40.7173.8-57.7-5.4000112.3Q325 R341 V342Q325-D327 PolarHBondContact O-N 3.05Å; D327-R341 HydrophobicContact CB-CG 4.31Å; D327-R341 CarbonylContact O-C 3.2Å; D327-R341 VanDerWaalsContact O-CA 3.24Å; D327-R341 WeakPolarHBondContact O-CA 3.24Å; D327-R341 IonicContact OD2-NH2 3.81Å; D327-V342 PolarHBondContact O-N 2.87Å
328W96.4Very high96.3Very high10 Ų1024.2 Ų24.24%0.03813%0.134CC..EExtended strand (participates in β ladder)trans-124.4132.7-171.4-66.583.4000113.2Y11 W24 F32 W321 A322 Q325 P326 I339 L340 R341Y11-W328 AromaticContact CD2-CH2 3.61Å; Y11-W328 HydrophobicContact CD2-CH2 3.61Å; Y11-W328 AromaticContact CD2-CZ3 3.7Å; Y11-W328 HydrophobicContact CD2-CZ3 3.7Å; Y11-W328 AromaticContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CZ2 4.1Å; Y11-W328 AromaticContact CE2-CZ3 4Å; Y11-W328 HydrophobicContact CE2-CZ3 4Å; W24-W328 HydrophobicContact CH2-CB 4.45Å; W24-W328 HydrophobicContact CZ2-CB 4.47Å; F32-W328 AromaticContact CE1-CD1 3.88Å; F32-W328 AromaticContact CE1-CD2 3.93Å; F32-W328 HydrophobicContact CE1-CD2 3.93Å; F32-W328 AromaticContact CE1-CE2 3.82Å; F32-W328 AromaticContact CE1-CG 3.95Å; F32-W328 HydrophobicContact CE1-CG 3.95Å; F32-W328 HydrophobicContact CE1-CZ2 4.5Å; F32-W328 AromaticContact CE1-NE1 3.75Å; F32-W328 AromaticContact CZ-NE1 3.86Å; W321-W328 VanDerWaalsContact CD1-O 3.28Å; A322-W328 HydrophobicContact CB-CB 4.29Å; A322-W328 WeakPolarHBondContact CB-O 3.47Å; A322-W328 PolarHBondContact N-O 3.06Å; Q325-W328 HydrophobicContact CB-CB 4.41Å; Q325-W328 HydrophobicContact CB-CG 4.42Å; Q325-W328 PolarHBondContact O-N 2.98Å; P326-W328 PolarHBondContact O-N 3.23Å; W328-I339 HydrophobicContact CD2-CD1 4.43Å; W328-I339 HydrophobicContact CE3-CB 4.06Å; W328-I339 HydrophobicContact CE3-CD1 3.78Å; W328-I339 HydrophobicContact CE3-CG1 3.88Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.98Å; W328-L340 WeakPolarHBondContact CA-O 3.17Å; W328-L340 VanDerWaalsContact CE3-C 3.5Å; W328-R341 HydrophobicContact CD2-CB 4.42Å; W328-R341 HydrophobicContact CE3-CB 4.25Å; W328-R341 HydrophobicContact CH2-CB 3.8Å; W328-R341 HydrophobicContact CH2-CG 4.45Å; W328-R341 HydrophobicContact CZ2-CB 4.01Å; W328-R341 HydrophobicContact CZ2-CG 4.17Å; W328-R341 HydrophobicContact CZ3-CB 3.94Å
329I97.6Very high96.4Very high4 Ų422.8 Ų22.82%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-114.4139170.2-59.5-177.4000108.4C283 I293 V319 W321 I331 I339 L340 V342C283-I329 HydrophobicContact CB-CD1 3.92Å; I293-I329 HydrophobicContact CD1-CD1 3.99Å; I293-I329 HydrophobicContact CG1-CD1 4.39Å; V319-I329 HydrophobicContact CG2-CG2 3.48Å; V319-I329 VanDerWaalsContact CG2-CG2 3.48Å; W321-I329 HydrophobicContact CD2-CD1 3.87Å; W321-I329 HydrophobicContact CD2-CG1 3.63Å; W321-I329 HydrophobicContact CE3-CD1 3.61Å; W321-I329 HydrophobicContact CE3-CG1 3.91Å; W321-I329 HydrophobicContact CG-CG1 4.05Å; W321-I329 HydrophobicContact CH2-CD1 3.69Å; W321-I329 HydrophobicContact CH2-CG1 4.32Å; W321-I329 HydrophobicContact CZ2-CD1 3.92Å; W321-I329 HydrophobicContact CZ2-CG1 4.06Å; W321-I329 HydrophobicContact CZ3-CD1 3.53Å; W321-I329 HydrophobicContact CZ3-CG1 4.25Å; I329-I331 HydrophobicContact CG2-CG2 4.3Å; I329-I339 CarbonylContact O-C 3.59Å; I329-I339 WeakPolarHBondContact O-CA 3.35Å; I329-L340 PolarHBondContact N-O 3.19Å; I329-L340 PolarHBondContact O-N 3.04Å; I329-V342 HydrophobicContact CD1-CB 4.39Å; I329-V342 HydrophobicContact CD1-CG1 3.81Å; I329-V342 HydrophobicContact CD1-CG2 3.95Å; I329-V342 HydrophobicContact CG1-CG1 4.08Å; I329-V342 HydrophobicContact CG1-CG2 3.85Å
330A98.3Very high96.4Very high0 Ų023.2 Ų23.20%013%0.128CC..EExtended strand (participates in β ladder)trans-99.8136.3165.900000109.7M22 W24 L34 V319 Q320 L337 E338 I339M22-A330 HydrophobicContact CE-CB 3.98Å; M22-A330 WeakPolarHBondContact CE-O 3.29Å; M22-A330 HydrophobicContact SD-CB 4.16Å; W24-A330 HydrophobicContact CZ2-CB 3.56Å; L34-A330 HydrophobicContact CD2-CB 3.76Å; V319-A330 CarbonylContact C-O 3.56Å; V319-A330 VanDerWaalsContact CA-O 3.32Å; V319-A330 WeakPolarHBondContact CA-O 3.49Å; Q320-A330 PolarHBondContact N-O 2.99Å; Q320-A330 PolarHBondContact O-N 3.26Å; A330-L337 HydrophobicContact CB-CD1 3.96Å; A330-E338 CarbonylContact C-O 3.52Å; A330-E338 WeakPolarHBondContact CA-O 3.48Å; A330-I339 HydrophobicContact CB-CG2 4.04Å
331I98.4Very high96.2Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-122.1144.5168.658.5164.8000109.6A291 Y310 A312 I316 N318 V319 I329 Y333 E338 L340A291-I331 HydrophobicContact CB-CG2 4.26Å; Y310-I331 HydrophobicContact CD1-CD1 3.84Å; Y310-I331 HydrophobicContact CE1-CD1 3.46Å; Y310-I331 VanDerWaalsContact CE1-CD1 3.46Å; A312-I331 HydrophobicContact CB-CD1 4.06Å; I316-I331 HydrophobicContact CD1-CD1 4.05Å; I316-I331 HydrophobicContact CD1-CG2 4.49Å; I316-I331 HydrophobicContact CG2-CB 3.92Å; I316-I331 HydrophobicContact CG2-CG2 4.17Å; N318-I331 WeakPolarHBondContact O-CA 3.46Å; V319-I331 HydrophobicContact CB-CG2 4.43Å; V319-I331 HydrophobicContact CG2-CG2 3.98Å; I329-I331 HydrophobicContact CG2-CG2 4.3Å; I331-Y333 HydrophobicContact CD1-CD1 4.26Å; I331-Y333 HydrophobicContact CD1-CE1 4.33Å; I331-E338 HydrophobicContact CD1-CB 4.24Å; I331-E338 HydrophobicContact CG1-CB 3.85Å; I331-E338 PolarHBondContact N-O 3.18Å; I331-E338 PolarHBondContact O-N 3.04Å; I331-L340 HydrophobicContact CD1-CD1 3.98Å; I331-L340 HydrophobicContact CG1-CD1 4.25Å; I331-L340 HydrophobicContact CG1-CG 4.48Å; I331-L340 HydrophobicContact CG2-CD1 4.42Å
332G97.9Very high95.9Very high1 Ų129 Ų291%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-121.3126.7175.200000110.6N317 N318 C336N317-G332 PolarHBondContact N-O 2.84Å; N318-G332 PolarHBondContact O-N 3.46Å; G332-C336 WeakPolarHBondContact CA-O 3.49Å
333Y97.3Very high95.9Very high2 Ų230.5 Ų30.51%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-146.2142.3176.565.4-89.9000109.3K12 A312 E313 E315 I331 N335 C336 E338K12-Y333 PolarHBondContact NZ-OH 3.49Å; A312-Y333 HydrophobicContact CB-CD1 3.88Å; A312-Y333 HydrophobicContact CB-CE1 3.96Å; A312-Y333 HydrophobicContact CB-CG 4.31Å; E313-Y333 HydrophobicContact CB-CE2 3.83Å; E313-Y333 PolarHBondContact OE2-OH 2.97Å; E315-Y333 WeakPolarHBondContact O-CA 3.4Å; E315-Y333 WeakPolarHBondContact O-CB 3.4Å; I331-Y333 HydrophobicContact CD1-CD1 4.26Å; I331-Y333 HydrophobicContact CD1-CE1 4.33Å; Y333-N335 PolarHBondContact O-N 3.43Å; Y333-C336 HydrophobicContact CD1-CB 4.45Å; Y333-C336 HydrophobicContact CD2-CB 4.21Å; Y333-C336 HydrophobicContact CE1-CB 4.04Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 PolarHBondContact N-O 2.92Å; Y333-C336 VanDerWaalsContact N-O 3.07Å; Y333-C336 WeakPolarHBondContact O-CA 3.11Å; Y333-C336 WeakPolarHBondContact O-CB 3.49Å; Y333-C336 PolarHBondContact O-N 3.25Å; Y333-C336 VanDerWaalsContact O-O 3.13Å; Y333-E338 HydrophobicContact CE1-CB 4.45Å; Y333-E338 HydrophobicContact CE1-CG 3.79Å; Y333-E338 VanDerWaalsContact OH-CD 3.24Å; Y333-E338 PolarHBondContact OH-OE1 2.97Å
334N96.1Very high96Very high78 Ų7828.9 Ų28.942%0.41715%0.15SC..THydrogen-bonded Turntrans45.2-126.3-173.6-61.8-33.7000111.5T18 V19T18-N334 CarbonylContact C-O 3.54Å; T18-N334 VanDerWaalsContact CA-O 3.27Å; T18-N334 WeakPolarHBondContact CA-O 3.45Å; T18-N334 WeakPolarHBondContact CG2-O 3.5Å; V19-N334 PolarHBondContact N-O 2.69Å
335N97.1Very high96.2Very high48 Ų4828.1 Ų28.126%0.25714%0.144SC..THydrogen-bonded Turntrans-97.924.3174.273.6-33.2000112.8E14 A15 W17 Y333E14-N335 WeakPolarHBondContact CG-ND2 3.47Å; E14-N335 PolarHBondContact OE1-ND2 3.09Å; A15-N335 WeakPolarHBondContact CA-O 3.37Å; A15-N335 HydrophobicContact CB-CB 4.43Å; A15-N335 WeakPolarHBondContact CB-O 3.43Å; A15-N335 PolarHBondContact N-O 3.26Å; A15-N335 WeakPolarHBondContact O-CB 3.45Å; A15-N335 PolarHBondContact O-ND2 2.97Å; W17-N335 VanDerWaalsContact O-CA 3.32Å; W17-N335 WeakPolarHBondContact O-CA 3.5Å; W17-N335 VanDerWaalsContact O-CB 3.28Å; W17-N335 WeakPolarHBondContact O-CB 3.15Å; Y333-N335 PolarHBondContact O-N 3.43Å
336C97.6Very high96.4Very high7 Ų728.8 Ų28.85%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-119.9133.3-174.5-710000111.4K12 G332 Y333K12-C336 WeakPolarHBondContact CE-SG 3.37Å; G332-C336 WeakPolarHBondContact CA-O 3.49Å; Y333-C336 HydrophobicContact CD1-CB 4.45Å; Y333-C336 HydrophobicContact CD2-CB 4.21Å; Y333-C336 HydrophobicContact CE1-CB 4.04Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 PolarHBondContact N-O 2.92Å; Y333-C336 VanDerWaalsContact N-O 3.07Å; Y333-C336 WeakPolarHBondContact O-CA 3.11Å; Y333-C336 WeakPolarHBondContact O-CB 3.49Å; Y333-C336 PolarHBondContact O-N 3.25Å; Y333-C336 VanDerWaalsContact O-O 3.13Å
337L97.8Very high96.5Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-101.5128.3159.7166.475000107.6K12 Y13 M22 L34 L36 V50 F59 A330 I339K12-L337 CarbonylContact C-O 3.49Å; K12-L337 WeakPolarHBondContact CA-O 3.08Å; Y13-L337 PolarHBondContact N-O 2.8Å; Y13-L337 PolarHBondContact O-N 2.98Å; M22-L337 HydrophobicContact SD-CD1 3.78Å; L34-L337 HydrophobicContact CD1-CD2 4.13Å; L34-L337 HydrophobicContact CD2-CD1 4.01Å; L34-L337 HydrophobicContact CD2-CD2 4.22Å; L36-L337 HydrophobicContact CD1-CB 4.25Å; L36-L337 HydrophobicContact CD1-CD2 4.17Å; L36-L337 HydrophobicContact CD2-CB 4.46Å; L36-L337 HydrophobicContact CD2-CD1 4.23Å; L36-L337 HydrophobicContact CD2-CD2 4.12Å; L36-L337 HydrophobicContact CD2-CG 4.49Å; V50-L337 HydrophobicContact CG2-CD2 4Å; F59-L337 HydrophobicContact CE1-CD2 4.36Å; F59-L337 HydrophobicContact CZ-CD2 4.29Å; A330-L337 HydrophobicContact CB-CD1 3.96Å; L337-I339 HydrophobicContact CD1-CG2 4.47Å
338E97.4Very high96.7Very high11 Ų1124.5 Ų24.55%0.05112%0.121CC..EExtended strand (participates in β ladder)trans-120138.4167-67.5-171.8155.700110.1Y11 K12 Y310 A330 I331 Y333 L340Y11-E338 WeakPolarHBondContact O-CA 3.46Å; K12-E338 HydrophobicContact CB-CG 4.16Å; K12-E338 HydrophobicContact CD-CG 4.32Å; K12-E338 WeakPolarHBondContact CD-OE1 3.43Å; K12-E338 HydrophobicContact CG-CG 3.92Å; K12-E338 IonicContact NZ-OE1 2.66Å; Y310-E338 PolarHBondContact OH-OE2 2.68Å; A330-E338 CarbonylContact C-O 3.52Å; A330-E338 WeakPolarHBondContact CA-O 3.48Å; I331-E338 HydrophobicContact CD1-CB 4.24Å; I331-E338 HydrophobicContact CG1-CB 3.85Å; I331-E338 PolarHBondContact N-O 3.18Å; I331-E338 PolarHBondContact O-N 3.04Å; Y333-E338 HydrophobicContact CE1-CB 4.45Å; Y333-E338 HydrophobicContact CE1-CG 3.79Å; Y333-E338 VanDerWaalsContact OH-CD 3.24Å; Y333-E338 PolarHBondContact OH-OE1 2.97Å; E338-L340 HydrophobicContact CB-CD2 4.36Å
339I97.4Very high96.7Very high0 Ų025.6 Ų25.60%013%0.127CC..EExtended strand (participates in β ladder)trans-110.8129.3167.567.4164000108.9I10 Y11 W24 F32 L34 L52 F59 W328 I329 A330 L337I10-I339 WeakPolarHBondContact CA-O 3.47Å; Y11-I339 HydrophobicContact CD2-CD1 4.01Å; Y11-I339 HydrophobicContact CD2-CG1 4.1Å; Y11-I339 HydrophobicContact CG-CD1 4.45Å; Y11-I339 HydrophobicContact CG-CG1 4.38Å; Y11-I339 PolarHBondContact N-O 2.68Å; Y11-I339 PolarHBondContact O-N 3.33Å; W24-I339 HydrophobicContact CH2-CB 3.97Å; W24-I339 HydrophobicContact CH2-CD1 4.08Å; W24-I339 HydrophobicContact CH2-CG2 3.44Å; W24-I339 VanDerWaalsContact CH2-CG2 3.44Å; W24-I339 HydrophobicContact CZ2-CB 4.19Å; W24-I339 HydrophobicContact CZ2-CG2 3.6Å; W24-I339 HydrophobicContact CZ3-CG2 4.49Å; F32-I339 HydrophobicContact CD1-CD1 3.91Å; F32-I339 HydrophobicContact CE1-CD1 4.28Å; L34-I339 HydrophobicContact CD1-CG2 4.43Å; L52-I339 HydrophobicContact CD2-CD1 4.26Å; F59-I339 HydrophobicContact CE2-CD1 4.15Å; F59-I339 HydrophobicContact CE2-CG1 3.96Å; F59-I339 HydrophobicContact CZ-CD1 3.7Å; F59-I339 HydrophobicContact CZ-CG1 3.85Å; F59-I339 HydrophobicContact CZ-CG2 3.96Å; W328-I339 HydrophobicContact CD2-CD1 4.43Å; W328-I339 HydrophobicContact CE3-CB 4.06Å; W328-I339 HydrophobicContact CE3-CD1 3.78Å; W328-I339 HydrophobicContact CE3-CG1 3.88Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.98Å; I329-I339 CarbonylContact O-C 3.59Å; I329-I339 WeakPolarHBondContact O-CA 3.35Å; A330-I339 HydrophobicContact CB-CG2 4.04Å; L337-I339 HydrophobicContact CD1-CG2 4.47Å
340L96.2Very high96.6Very high10 Ų1027.2 Ų27.25%0.05214%0.135CC..EExtended strand (participates in β ladder)trans-115.1133.2-172.7-50.4176.7000108.6I10 Y310 W328 I329 I331 E338 V342I10-L340 HydrophobicContact CB-CD2 4.39Å; I10-L340 HydrophobicContact CD1-CD2 4.11Å; I10-L340 HydrophobicContact CG1-CD2 3.83Å; I10-L340 HydrophobicContact CG2-CD2 3.89Å; Y310-L340 HydrophobicContact CD1-CD1 3.48Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.48Å; Y310-L340 HydrophobicContact CD1-CD2 4.44Å; Y310-L340 HydrophobicContact CD2-CD1 4.06Å; Y310-L340 HydrophobicContact CD2-CD2 4.29Å; Y310-L340 HydrophobicContact CE1-CD1 3.79Å; Y310-L340 HydrophobicContact CE1-CD2 3.98Å; Y310-L340 HydrophobicContact CE2-CD1 4.34Å; Y310-L340 HydrophobicContact CE2-CD2 3.82Å; Y310-L340 HydrophobicContact CG-CD1 3.61Å; W328-L340 WeakPolarHBondContact CA-O 3.17Å; W328-L340 VanDerWaalsContact CE3-C 3.5Å; I329-L340 PolarHBondContact N-O 3.19Å; I329-L340 PolarHBondContact O-N 3.04Å; I331-L340 HydrophobicContact CD1-CD1 3.98Å; I331-L340 HydrophobicContact CG1-CD1 4.25Å; I331-L340 HydrophobicContact CG1-CG 4.48Å; I331-L340 HydrophobicContact CG2-CD1 4.42Å; E338-L340 HydrophobicContact CB-CD2 4.36Å; L340-V342 HydrophobicContact CB-CG1 4.5Å
341R94.7Very high96.5Very high123 Ų12329.5 Ų29.546%0.46415%0.146SC..EExtended strand (participates in β ladder)trans-82.1131.6168.2-164.7178.9-175.5-169.9-1.7109.7E9 D327 W328E9-R341 HydrophobicContact CB-CB 4.47Å; E9-R341 WeakPolarHBondContact O-CB 3.42Å; E9-R341 PolarHBondContact O-N 3.13Å; D327-R341 HydrophobicContact CB-CG 4.31Å; D327-R341 CarbonylContact O-C 3.2Å; D327-R341 VanDerWaalsContact O-CA 3.24Å; D327-R341 WeakPolarHBondContact O-CA 3.24Å; D327-R341 IonicContact OD2-NH2 3.81Å; W328-R341 HydrophobicContact CD2-CB 4.42Å; W328-R341 HydrophobicContact CE3-CB 4.25Å; W328-R341 HydrophobicContact CH2-CB 3.8Å; W328-R341 HydrophobicContact CH2-CG 4.45Å; W328-R341 HydrophobicContact CZ2-CB 4.01Å; W328-R341 HydrophobicContact CZ2-CG 4.17Å; W328-R341 HydrophobicContact CZ3-CB 3.94Å
342V89.9Confident96.3Very high74 Ų7432.2 Ų32.245%0.44816%0.16SC..  trans-127.30-174.6-62.30000113.3I293 W321 D327 I329 L340I293-V342 HydrophobicContact CD1-CB 3.79Å; I293-V342 HydrophobicContact CD1-CG1 3.71Å; I293-V342 HydrophobicContact CD1-CG2 4.41Å; W321-V342 HydrophobicContact CH2-CG2 4.12Å; W321-V342 HydrophobicContact CZ2-CG2 3.45Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.45Å; D327-V342 PolarHBondContact O-N 2.87Å; I329-V342 HydrophobicContact CD1-CB 4.39Å; I329-V342 HydrophobicContact CD1-CG1 3.81Å; I329-V342 HydrophobicContact CD1-CG2 3.95Å; I329-V342 HydrophobicContact CG1-CG1 4.08Å; I329-V342 HydrophobicContact CG1-CG2 3.85Å; L340-V342 HydrophobicContact CB-CG1 4.5Å

Retrieved 342 of 342 residues in 241 ms (Link to these results)

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