A0A3Q0KLA3_SCHMA Loading...

Putative neurotrimin (HNT)

AlphaFold DB , UniProt , Accession A0A3Q0KLA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M39.5Very low38.3Very low248 Ų248150.1 Ų150.1100%1.22282%0.819SS**  0117.50-98.5167.8170.100108
2V32.6Very low38.3Very low134 Ų134147.6 Ų147.681%0.81281%0.811SS**  trans-66.5131.9167.9174.50000108.2
3C34.1Very low38.4Very low114 Ų114145 Ų14577%0.7781%0.806SS**  trans-154.880.4148.3-90.30000107F5C3-F5 PolarHBondContact O-N 3.33Å
4A37.8Very low38.5Very low93 Ų93143.4 Ų143.477%0.76981%0.807SS**  trans-78.9111.3171.400000108.8
5F37.2Very low38.6Very low187 Ų187145.9 Ų145.982%0.8281%0.81SS**  trans-88.2122.3167.8-81.6-87.6000108.8C3 S7C3-F5 PolarHBondContact O-N 3.33Å; F5-S7 PolarHBondContact O-N 2.67Å; F5-S7 VanDerWaalsContact O-N 3.15Å
6P45.2Very low38.9Very low110 Ų110148.2 Ų148.271%0.71481%0.812SS**  trans-78.4101.7177.330.6-30.4000109.1Y8P6-Y8 PolarHBondContact O-N 3Å
7S42.3Very low39.3Very low88 Ų88145.9 Ų145.962%0.61580%0.803SS**  trans-67.7107.6168.850.30000109.2F5 F9F5-S7 PolarHBondContact O-N 2.67Å; F5-S7 VanDerWaalsContact O-N 3.15Å; S7-F9 WeakPolarHBondContact O-CD2 3.47Å; S7-F9 PolarHBondContact O-N 2.81Å
8Y40.1Very low39.8Very low221 Ų221142.7 Ų142.787%0.86779%0.789SS**  trans-57.6105.9167.6-86-100000109.4P6 C10P6-Y8 PolarHBondContact O-N 3Å; Y8-C10 PolarHBondContact O-N 3.29Å; Y8-C10 VanDerWaalsContact O-N 3.09Å
9F37.7Very low39.6Very low179 Ų179140.1 Ų140.179%0.78578%0.777SS**  trans-71.894.7167.9-81.5-92.1000108.6S7 L11S7-F9 WeakPolarHBondContact O-CD2 3.47Å; S7-F9 PolarHBondContact O-N 2.81Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.37Å
10C35Very low39.8Very low119 Ų119133.5 Ų133.580%0.80474%0.741SS**  trans-6893.8160.8-95.20000108.5Y8 V12Y8-C10 PolarHBondContact O-N 3.29Å; Y8-C10 VanDerWaalsContact O-N 3.09Å; C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 2.52Å
11L39.4Very low40.5Very low158 Ų158133.5 Ų133.583%0.82774%0.735SS**  trans-7287163.6-73.9164.2000107.9F9 P13F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.37Å; L11-P13 WeakPolarHBondContact O-CD 3.46Å
12V38.5Very low41.4Very low120 Ų120122.5 Ų122.573%0.72768%0.682SS**  trans-70.5117.9164-177.50000106.3C10 C14C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 2.52Å; V12-C14 PolarHBondContact O-N 2.84Å
13P39.7Very low42.9Very low114 Ų114116.5 Ų116.574%0.7465%0.646SS**  trans-61128.3178.7-17.429.9000109.1L11 E15L11-P13 WeakPolarHBondContact O-CD 3.46Å; P13-E15 PolarHBondContact O-N 3.33Å
14C39.9Very low44.2Very low122 Ų122111.1 Ų111.182%0.82461%0.61SS**  trans-62.1104.6169.1-76.70000108V12 Q16V12-C14 PolarHBondContact O-N 2.84Å; C14-Q16 PolarHBondContact O-N 3.49Å
15E39.3Very low45.4Very low182 Ų182109.5 Ų109.585%0.8558%0.584SS**  trans-55.4108.8165.2-104.4177162.200107.5P13 V17P13-E15 PolarHBondContact O-N 3.33Å; E15-V17 PolarHBondContact O-N 2.88Å
16Q43.6Very low46.3Very low182 Ų182101 Ų10185%0.8555%0.547SS*.  trans-67.3104.5171.9-68.9-155.8-42.500107.5C14 V18C14-Q16 PolarHBondContact O-N 3.49Å; Q16-V18 PolarHBondContact O-N 3.4Å
17V46.3Very low47Very low109 Ų10996.3 Ų96.366%0.66152%0.516SS*.  trans-69.799.2176.6-177.60000107.7E15 T19E15-V17 PolarHBondContact O-N 2.88Å; V17-T19 PolarHBondContact O-N 3.32Å
18V49.1Very low47.5Very low89 Ų8994.7 Ų94.754%0.53950%0.502SS..PPolyproline II helixtrans-65.5126.6171.8-179.20000107.9Q16 N62Q16-V18 PolarHBondContact O-N 3.4Å; V18-N62 HydrophobicContact CG1-CB 4.39Å
19T35.9Very low48.1Very low93 Ų9388.1 Ų88.157%0.57149%0.486SS*.PPolyproline II helixtrans-65.2130.3176.348.10000110V17V17-T19 PolarHBondContact O-N 3.32Å
20P42.6Very low48.4Very low7 Ų782.1 Ų82.15%0.04546%0.463CS..PPolyproline II helixtrans-67140.2179.325.5-32.1000111.3V60 F61 P64 Y129 A136P20-V60 HydrophobicContact CB-CG1 3.9Å; P20-F61 VanDerWaalsContact CA-O 3.27Å; P20-F61 WeakPolarHBondContact CA-O 3.25Å; P20-F61 WeakPolarHBondContact CB-O 3.41Å; P20-P64 HydrophobicContact CG-CG 4.27Å; P20-Y129 HydrophobicContact CG-CD1 3.8Å; P20-Y129 HydrophobicContact CG-CE1 3.54Å; P20-A136 HydrophobicContact CG-CB 4.36Å
21E55.7Low49.3Very low134 Ų13481.4 Ų81.463%0.62647%0.465SS*.EExtended strand (participates in β ladder)trans-101.3130173.8-69.1-174.6178.300109.5V60 F61E21-V60 WeakPolarHBondContact O-CA 3.33Å; E21-F61 HydrophobicContact CB-CB 4.44Å; E21-F61 HydrophobicContact CB-CD2 4.38Å; E21-F61 PolarHBondContact N-O 3.24Å; E21-F61 PolarHBondContact O-N 3.42Å
22V58Low49.7Very low17 Ų1781.7 Ų81.710%0.10347%0.467CS..EExtended strand (participates in β ladder)trans-109.8130.2179.7-1680000109.2C58 N59 V60 C125 C127 A136 V138V22-C58 WeakPolarHBondContact CG1-SG 2.99Å; V22-N59 WeakPolarHBondContact CA-O 3.49Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CG1 4.47Å; V22-V60 HydrophobicContact CG2-CG2 4.11Å; V22-C125 HydrophobicContact CG1-CB 4.25Å; V22-C127 HydrophobicContact CG2-CB 3.82Å; V22-A136 HydrophobicContact CG2-CB 3.58Å; V22-V138 HydrophobicContact CB-CG1 3.84Å; V22-V138 HydrophobicContact CG1-CG1 3.43Å; V22-V138 VanDerWaalsContact CG1-CG1 3.43Å
23S64.2Low50.2Low8 Ų880.7 Ų80.76%0.05646%0.461CS..EExtended strand (participates in β ladder)trans-129.5144.417562.50000111.6Y25 C58 N59 F61S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; S23-Y25 PolarHBondContact OG-OH 3.36Å; S23-C58 WeakPolarHBondContact O-CA 3.47Å; S23-N59 PolarHBondContact N-O 2.98Å; S23-N59 PolarHBondContact O-N 3.28Å; S23-F61 WeakPolarHBondContact OG-CE2 3.46Å
24I60.9Low50.4Low1 Ų177.9 Ų77.91%0.00545%0.453CS..EExtended strand (participates in β ladder)trans-110126.6173.5-67.7166.4000109I56 Q57 C58 W71 C125 V138 R140I24-I56 HydrophobicContact CG2-CG2 3.4Å; I24-Q57 CarbonylContact C-O 3.57Å; I24-Q57 VanDerWaalsContact CA-O 3.27Å; I24-Q57 WeakPolarHBondContact CA-O 3.39Å; I24-C58 HydrophobicContact CG1-CB 4.4Å; I24-W71 HydrophobicContact CD1-CH2 3.64Å; I24-W71 HydrophobicContact CD1-CZ3 3.68Å; I24-W71 HydrophobicContact CG1-CH2 3.74Å; I24-W71 HydrophobicContact CG1-CZ3 4.29Å; I24-W71 HydrophobicContact CG2-CH2 4.27Å; I24-C125 HydrophobicContact CD1-CB 3.97Å; I24-C125 HydrophobicContact CG1-CB 4.13Å; I24-V138 HydrophobicContact CD1-CB 4.41Å; I24-V138 HydrophobicContact CD1-CG1 3.7Å; I24-V138 HydrophobicContact CD1-CG2 4.27Å; I24-V138 WeakPolarHBondContact CD1-O 3.37Å; I24-V138 HydrophobicContact CG1-CG1 3.6Å; I24-V138 HydrophobicContact CG1-CG2 4.42Å; I24-R140 HydrophobicContact CB-CG 4.01Å; I24-R140 HydrophobicContact CD1-CG 4.07Å; I24-R140 HydrophobicContact CG2-CG 3.53Å; I24-R140 PolarHBondContact O-NH2 3.06Å
25Y62.3Low50.2Low60 Ų6081.5 Ų81.524%0.23545%0.449CS..EExtended strand (participates in β ladder)trans-111133170.8-56.2-86.2000108.9S23 Q57 N59S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; S23-Y25 PolarHBondContact OG-OH 3.36Å; Y25-Q57 PolarHBondContact N-O 3.48Å; Y25-Q57 PolarHBondContact O-N 3.17Å; Y25-N59 WeakPolarHBondContact CD2-ND2 3.35Å; Y25-N59 HydrophobicContact CE2-CB 4.13Å; Y25-N59 WeakPolarHBondContact CE2-ND2 3.19Å
26D57.2Low50.3Low8 Ų875 Ų754%0.04342%0.422CS..EExtended strand (participates in β ladder)trans-83.8137.8171.7-165.7-1.1000109L39 I46D26-L39 HydrophobicContact CB-CB 4.34Å; D26-L39 HydrophobicContact CB-CD1 3.58Å; D26-L39 HydrophobicContact CB-CG 4.18Å; D26-I46 HydrophobicContact CB-CG1 4.47Å; D26-I46 WeakPolarHBondContact OD2-CG2 3.22Å
27E58.9Low50.2Low12 Ų1270.1 Ų70.16%0.05640%0.404CS..EExtended strand (participates in β ladder)trans-119.269.3175.5-64-158.6162.300110.1V36 I55 Q57 K103E27-V36 HydrophobicContact CB-CG1 3.72Å; E27-V36 HydrophobicContact CG-CG1 3.8Å; E27-I55 HydrophobicContact CB-CB 4.27Å; E27-I55 HydrophobicContact CB-CG2 4.16Å; E27-I55 PolarHBondContact N-O 2.94Å; E27-Q57 PolarHBondContact OE1-OE1 2.92Å; E27-K103 VanDerWaalsContact CD-NZ 3.27Å; E27-K103 WeakPolarHBondContact OE1-CE 3.41Å; E27-K103 IonicContact OE1-NZ 2.7Å; E27-K103 PolarHBondContact OE1-NZ 2.88Å; E27-K103 IonicContact OE2-NZ 2.66Å; E27-K103 PolarHBondContact OE2-NZ 3.11Å; E27-K103 VanDerWaalsContact OE2-NZ 3.16Å
28T53.9Low50.1Low53 Ų5371.5 Ų71.533%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-83125.5165.755.30000109.6D30T28-D30 PolarHBondContact O-N 3.45Å
29P52Low50.1Low83 Ų8369.8 Ų69.854%0.53939%0.386SS..EExtended strand (participates in β ladder)trans-65.1129.8170.6-5.417000109.8A31P29-A31 PolarHBondContact O-N 3.06Å
30D44.1Very low50.8Low54 Ų5472.1 Ų72.129%0.28939%0.39SS..PPolyproline II helixtrans-60.9125.1169.9172.548.1000110.2T28 L32 T33 G34 R35 V37T28-D30 PolarHBondContact O-N 3.45Å; D30-L32 PolarHBondContact O-N 2.8Å; D30-T33 WeakPolarHBondContact CB-OG1 3.36Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.48Å; D30-T33 VanDerWaalsContact OD2-CG2 3.3Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.38Å; D30-T33 PolarHBondContact OD2-N 2.77Å; D30-T33 PolarHBondContact OD2-OG1 2.99Å; D30-G34 WeakPolarHBondContact O-CA 3.4Å; D30-G34 PolarHBondContact O-N 2.76Å; D30-R35 WeakPolarHBondContact CB-O 3.31Å; D30-R35 PolarHBondContact N-O 3.42Å; D30-V37 HydrophobicContact CB-CG2 4.32Å
31A53.3Low51.3Low104 Ų10476.2 Ų76.286%0.8641%0.412SS*.THydrogen-bonded Turntrans-63.8-24.1-173.400000113.6P29P29-A31 PolarHBondContact O-N 3.06Å
32L48.2Very low51.2Low164 Ų16478.1 Ų78.186%0.85942%0.418SS*.THydrogen-bonded Turntrans-91.3-40.8179.2-87.6109.4000113.5D30D30-L32 PolarHBondContact O-N 2.8Å
33T50.3Low51Low98 Ų9880 Ų8060%0.60143%0.43SS*.THydrogen-bonded Turntrans-104.9-9.9-173.965.20000113.6D30 R35D30-T33 WeakPolarHBondContact CB-OG1 3.36Å; D30-T33 PolarHBondContact O-N 3.23Å; D30-T33 VanDerWaalsContact OD2-CB 3.23Å; D30-T33 WeakPolarHBondContact OD2-CB 3.48Å; D30-T33 VanDerWaalsContact OD2-CG2 3.3Å; D30-T33 WeakPolarHBondContact OD2-CG2 3.38Å; D30-T33 PolarHBondContact OD2-N 2.77Å; D30-T33 PolarHBondContact OD2-OG1 2.99Å; T33-R35 PolarHBondContact O-N 2.93Å; T33-R35 WeakPolarHBondContact OG1-CB 3.1Å; T33-R35 PolarHBondContact OG1-N 2.8Å
34G42.8Very low51.3Low55 Ų5583 Ų8357%0.56745%0.448SS*.  trans62.36.2-169.400000113.3D30D30-G34 WeakPolarHBondContact O-CA 3.4Å; D30-G34 PolarHBondContact O-N 2.76Å
35R36.1Very low52.3Low198 Ų19886 Ų8675%0.74746%0.464SS*.PPolyproline II helixtrans-87.6128.6-173.3-156.8175.3-174.4-172.80.6109.2D30 T33 V37D30-R35 WeakPolarHBondContact CB-O 3.31Å; D30-R35 PolarHBondContact N-O 3.42Å; T33-R35 PolarHBondContact O-N 2.93Å; T33-R35 WeakPolarHBondContact OG1-CB 3.1Å; T33-R35 PolarHBondContact OG1-N 2.8Å; R35-V37 PolarHBondContact O-N 3.33Å
36V41.4Very low53.4Low47 Ų4783.3 Ų83.329%0.28545%0.453SS..EExtended strand (participates in β ladder)trans-67.5127179.9-179.10000109.9E27E27-V36 HydrophobicContact CB-CG1 3.72Å; E27-V36 HydrophobicContact CG-CG1 3.8Å
37V41.6Very low54.9Low79 Ų7987.1 Ų87.148%0.47947%0.474SS..EExtended strand (participates in β ladder)trans-100.3121.9177.6-178.90000109.2D30 R35D30-V37 HydrophobicContact CB-CG2 4.32Å; R35-V37 PolarHBondContact O-N 3.33Å
38Y44Very low56.4Low137 Ų13786.8 Ų86.854%0.53747%0.473SS..EExtended strand (participates in β ladder)trans-83.8122.6177.2-62.7-86.4000110.3
39L48.9Very low58.1Low53 Ų5385.8 Ų85.828%0.27747%0.465SS..PPolyproline II helixtrans-88.5127.4172.9-67.1174.1000110.7D26 T43D26-L39 HydrophobicContact CB-CB 4.34Å; D26-L39 HydrophobicContact CB-CD1 3.58Å; D26-L39 HydrophobicContact CB-CG 4.18Å; L39-T43 WeakPolarHBondContact CB-OG1 3.23Å; L39-T43 HydrophobicContact CD2-CG2 4.45Å
40E51.1Low60.1Low142 Ų14285.2 Ų85.266%0.66446%0.46SS*.PPolyproline II helixtrans-60.9162.4174.3-70.1-175.9174.300111.5K42 T43E40-K42 PolarHBondContact O-N 2.89Å; E40-T43 PolarHBondContact O-N 2.92Å
41N53.4Low62.3Low94 Ų9484.7 Ų84.750%0.50347%0.468SS..THydrogen-bonded Turntrans-59.31-176.7-156.412.9000115.5R140N41-R140 PolarHBondContact OD1-NH2 2.82Å
42K52.2Low64.1Low174 Ų17484.2 Ų84.276%0.75745%0.448SS*.THydrogen-bonded Turntrans-90.7-25.6-177.5-68.5-178-179.6171.70114.5E40 V44E40-K42 PolarHBondContact O-N 2.89Å; K42-V44 PolarHBondContact O-N 3.17Å
43T54.4Low66Low56 Ų5680.3 Ų80.334%0.34442%0.424SS..  trans-82.6104-179.853.50000110.1L39 E40 L45 R140L39-T43 WeakPolarHBondContact CB-OG1 3.23Å; L39-T43 HydrophobicContact CD2-CG2 4.45Å; E40-T43 PolarHBondContact O-N 2.92Å; T43-L45 PolarHBondContact O-N 2.81Å; T43-R140 WeakPolarHBondContact O-CD 3.18Å; T43-R140 PolarHBondContact O-NE 3.24Å
44V70.5Confident67.9Low71 Ų7176 Ų7643%0.4340%0.397SS..  trans-71.8-18.5176.9-177.90000111.5K42 R140 I141K42-V44 PolarHBondContact O-N 3.17Å; V44-R140 CarbonylContact O-C 3.57Å; V44-R140 VanDerWaalsContact O-CA 3.3Å; V44-R140 WeakPolarHBondContact O-CA 3.27Å; V44-I141 HydrophobicContact CG1-CD1 4.1Å; V44-I141 HydrophobicContact CG1-CG1 4.23Å; V44-I141 PolarHBondContact O-N 3.13Å
45L82.1Confident70Confident65 Ų6574.2 Ų74.234%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-110.2132.2-169.9-169.873.7000112.1T43 N47 I141 R143T43-L45 PolarHBondContact O-N 2.81Å; L45-N47 VanDerWaalsContact CD2-OD1 3.24Å; L45-N47 WeakPolarHBondContact CD2-OD1 3.23Å; L45-N47 WeakPolarHBondContact CG-OD1 3.42Å; L45-I141 CarbonylContact C-O 3.55Å; L45-I141 WeakPolarHBondContact CA-O 3.27Å; L45-I141 HydrophobicContact CD1-CB 4.12Å; L45-I141 HydrophobicContact CD1-CG2 3.91Å; L45-I141 WeakPolarHBondContact CD1-O 3.48Å; L45-R143 HydrophobicContact CD1-CB 4.26Å; L45-R143 HydrophobicContact CD1-CG 3.73Å
46I86.1Confident72.5Confident3 Ų364.8 Ų64.82%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-110.4126.7167.7-60.8174.3000107.1D26 V54 I56 R140 I141 L142 R143D26-I46 HydrophobicContact CB-CG1 4.47Å; D26-I46 WeakPolarHBondContact OD2-CG2 3.22Å; I46-V54 HydrophobicContact CG2-CG1 4.23Å; I46-I56 HydrophobicContact CD1-CD1 3.94Å; I46-I56 HydrophobicContact CD1-CG1 4.02Å; I46-I56 HydrophobicContact CD1-CG2 4.22Å; I46-R140 HydrophobicContact CD1-CB 3.72Å; I46-R140 HydrophobicContact CD1-CG 4.01Å; I46-R140 HydrophobicContact CG1-CB 4.07Å; I46-R140 HydrophobicContact CG1-CG 4.4Å; I46-I141 PolarHBondContact N-O 2.7Å; I46-L142 HydrophobicContact CB-CD1 4.04Å; I46-L142 HydrophobicContact CG2-CD1 3.65Å; I46-L142 WeakPolarHBondContact O-CA 3.4Å; I46-R143 PolarHBondContact O-N 3.3Å
47N88Confident74.7Confident88 Ų8862.9 Ų62.947%0.47133%0.327SS..EExtended strand (participates in β ladder)trans-104.9118.3176.3-67.7-20.7000109L45 R143 F145L45-N47 VanDerWaalsContact CD2-OD1 3.24Å; L45-N47 WeakPolarHBondContact CD2-OD1 3.23Å; L45-N47 WeakPolarHBondContact CG-OD1 3.42Å; N47-R143 WeakPolarHBondContact CA-O 3.41Å; N47-F145 HydrophobicContact CB-CD2 4.13Å; N47-F145 HydrophobicContact CB-CE2 3.81Å; N47-F145 WeakPolarHBondContact OD1-CE2 3.3Å
48G89.9Confident76.9Confident4 Ų459.1 Ų59.14%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-112.1155174.700000112.2R143 V144 F145G48-R143 PolarHBondContact N-O 2.84Å; G48-V144 WeakPolarHBondContact O-CA 3.37Å; G48-F145 PolarHBondContact O-N 2.68Å
49L89.8Confident78.9Confident32 Ų3253 Ų5317%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-103.4141.3171.1-70.2169.1000110.4G51 E52 F145 K147 M226L49-G51 PolarHBondContact O-N 2.91Å; L49-E52 HydrophobicContact CB-CB 4.43Å; L49-E52 HydrophobicContact CB-CG 3.96Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.24Å; L49-E52 WeakPolarHBondContact O-CB 3.03Å; L49-E52 PolarHBondContact O-N 3.11Å; L49-F145 CarbonylContact C-O 3.6Å; L49-F145 VanDerWaalsContact CA-O 3.32Å; L49-F145 WeakPolarHBondContact CA-O 3.38Å; L49-F145 HydrophobicContact CD2-CB 4.08Å; L49-K147 HydrophobicContact CD2-CG 4.47Å; L49-M226 HydrophobicContact CD2-CB 4.17Å; L49-M226 HydrophobicContact CD2-CG 4.04Å; L49-M226 HydrophobicContact CD2-SD 3.79Å
50V93.5Very high80.5Confident71 Ų7150.7 Ų50.743%0.4327%0.269SS..THydrogen-bonded Turntrans-52.2132.9173.21730000110.2E52 L115 V144 F145 A146V50-E52 VanDerWaalsContact C-N 3.29Å; V50-E52 PolarHBondContact O-N 2.94Å; V50-L115 CarbonylContact C-O 3.57Å; V50-L115 WeakPolarHBondContact CA-O 3.47Å; V50-V144 HydrophobicContact CG2-CG1 3.62Å; V50-F145 WeakPolarHBondContact CG2-O 3.42Å; V50-F145 PolarHBondContact N-O 3.26Å; V50-A146 HydrophobicContact CB-CB 4.31Å; V50-A146 HydrophobicContact CG2-CB 3.93Å
51G91.6Very high81.9Confident44 Ų4448 Ų4845%0.45426%0.255SS..THydrogen-bonded Turntrans88.2-18.5-178.600000114.5L49 S114 L115L49-G51 PolarHBondContact O-N 2.91Å; G51-S114 WeakPolarHBondContact CA-OG 3.34Å; G51-S114 PolarHBondContact O-OG 3.08Å; G51-L115 PolarHBondContact N-O 3.09Å
52E90Very high83.2Confident94 Ų9448.7 Ų48.744%0.43926%0.259SS..  trans-85.3159.7-177.5-64.2-171.5174.100112.7L49 V50 L115L49-E52 HydrophobicContact CB-CB 4.43Å; L49-E52 HydrophobicContact CB-CG 3.96Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.24Å; L49-E52 WeakPolarHBondContact O-CB 3.03Å; L49-E52 PolarHBondContact O-N 3.11Å; V50-E52 VanDerWaalsContact C-N 3.29Å; V50-E52 PolarHBondContact O-N 2.94Å; E52-L115 WeakPolarHBondContact O-CG 3.11Å; E52-L115 PolarHBondContact O-N 3.48Å
53K87.9Confident84.4Confident82 Ų8242.5 Ų42.536%0.35723%0.233SC..  trans-86.3134.1176178175-175.31670110.2I55 E111 I112 M113K53-I55 HydrophobicContact CD-CD1 4.33Å; K53-I55 HydrophobicContact CD-CG1 4.45Å; K53-I55 HydrophobicContact CG-CG1 4.32Å; K53-E111 WeakPolarHBondContact CE-OE2 3.45Å; K53-E111 IonicContact NZ-OE2 2.78Å; K53-E111 PolarHBondContact NZ-OE2 3.31Å; K53-I112 CarbonylContact C-O 3.53Å; K53-I112 VanDerWaalsContact CA-O 3.27Å; K53-I112 WeakPolarHBondContact CA-O 3.48Å; K53-I112 WeakPolarHBondContact CG-O 3.44Å; K53-M113 HydrophobicContact CD-CE 4.42Å; K53-M113 HydrophobicContact CD-SD 3.82Å; K53-M113 VanDerWaalsContact CE-SD 3.5Å; K53-M113 HydrophobicContact CG-SD 4.38Å; K53-M113 PolarHBondContact NZ-SD 3.16Å; K53-M113 VanDerWaalsContact NZ-SD 3.39Å
54V89.9Confident85.5Confident6 Ų641.4 Ų41.44%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-121.9137.8170.5166.90000110.3I46 I56 I112 L115 L142I46-V54 HydrophobicContact CG2-CG1 4.23Å; V54-I56 HydrophobicContact CG1-CG1 3.99Å; V54-I112 PolarHBondContact N-O 3.3Å; V54-I112 PolarHBondContact O-N 3.48Å; V54-L115 HydrophobicContact CB-CD1 4.21Å; V54-L115 HydrophobicContact CB-CG 4.5Å; V54-L115 HydrophobicContact CG2-CD1 3.43Å; V54-L115 VanDerWaalsContact CG2-CD1 3.43Å; V54-L115 HydrophobicContact CG2-CG 4.19Å; V54-L142 HydrophobicContact CG1-CD1 4.47Å
55I88.7Confident86Confident18 Ų1850 Ų509%0.09225%0.252CS..EExtended strand (participates in β ladder)trans-124.6124.4-179.7-64.7153.6000107.7E27 K53 R109 L110 E111E27-I55 HydrophobicContact CB-CB 4.27Å; E27-I55 HydrophobicContact CB-CG2 4.16Å; E27-I55 PolarHBondContact N-O 2.94Å; K53-I55 HydrophobicContact CD-CD1 4.33Å; K53-I55 HydrophobicContact CD-CG1 4.45Å; K53-I55 HydrophobicContact CG-CG1 4.32Å; I55-R109 HydrophobicContact CG2-CG 3.68Å; I55-L110 CarbonylContact C-O 3.54Å; I55-L110 WeakPolarHBondContact CA-O 3.39Å; I55-E111 HydrophobicContact CG1-CB 4.5Å; I55-E111 HydrophobicContact CG1-CG 4.14Å; I55-E111 HydrophobicContact CG2-CG 4.48Å
56I88.6Confident85.9Confident1 Ų150 Ų501%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-116.8120.8177.2-45.2-178.9000108.2I24 I46 V54 W71 L110 Y123I24-I56 HydrophobicContact CG2-CG2 3.4Å; I46-I56 HydrophobicContact CD1-CD1 3.94Å; I46-I56 HydrophobicContact CD1-CG1 4.02Å; I46-I56 HydrophobicContact CD1-CG2 4.22Å; V54-I56 HydrophobicContact CG1-CG1 3.99Å; I56-W71 HydrophobicContact CB-CH2 4.09Å; I56-W71 HydrophobicContact CB-CZ2 4.24Å; I56-W71 HydrophobicContact CG2-CH2 3.32Å; I56-W71 HydrophobicContact CG2-CZ2 3.89Å; I56-W71 HydrophobicContact CG2-CZ3 4.08Å; I56-L110 HydrophobicContact CB-CB 4.47Å; I56-L110 HydrophobicContact CD1-CD2 4.46Å; I56-L110 PolarHBondContact N-O 3.2Å; I56-L110 PolarHBondContact O-N 2.91Å; I56-Y123 HydrophobicContact CD1-CD1 4.44Å; I56-Y123 HydrophobicContact CD1-CG 4.15Å
57Q87.3Confident85.8Confident6 Ų650.5 Ų50.53%0.02827%0.272CS..EExtended strand (participates in β ladder)trans-106.9128.9179.2-176.7170.6-37.200110.6I24 Y25 E27 N59I24-Q57 CarbonylContact C-O 3.57Å; I24-Q57 VanDerWaalsContact CA-O 3.27Å; I24-Q57 WeakPolarHBondContact CA-O 3.39Å; Y25-Q57 PolarHBondContact N-O 3.48Å; Y25-Q57 PolarHBondContact O-N 3.17Å; E27-Q57 PolarHBondContact OE1-OE1 2.92Å; Q57-N59 WeakPolarHBondContact CG-OD1 3.44Å; Q57-N59 PolarHBondContact NE2-OD1 2.84Å
58C88.1Confident85.7Confident0 Ų054.8 Ų54.80%028%0.281CS..EExtended strand (participates in β ladder)trans-109.2122.3172.4178.10000110.5V22 S23 I24 W71 S107 V108 C125V22-C58 WeakPolarHBondContact CG1-SG 2.99Å; S23-C58 WeakPolarHBondContact O-CA 3.47Å; I24-C58 HydrophobicContact CG1-CB 4.4Å; C58-W71 HydrophobicContact CB-CH2 3.91Å; C58-W71 HydrophobicContact CB-CZ2 3.38Å; C58-S107 CarbonylContact O-C 3.59Å; C58-S107 WeakPolarHBondContact O-CA 3.22Å; C58-S107 WeakPolarHBondContact O-CB 2.97Å; C58-V108 PolarHBondContact N-O 2.88Å; C58-V108 PolarHBondContact O-N 3.19Å; C58-C125 HydrophobicContact CB-CB 3.55Å; C58-C125 WeakPolarHBondContact CB-SG 3.2Å; C58-C125 WeakPolarHBondContact SG-CB 3.35Å; C58-C125 CovalentContact SG-SG 2Å; C58-C125 PolarHBondContact SG-SG 2.81Å
59N85Confident85.6Confident9 Ų955.2 Ų55.25%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-108.9135.1176.2-62.9-18.4000109.2V22 S23 Y25 Q57 F61 S107V22-N59 WeakPolarHBondContact CA-O 3.49Å; S23-N59 PolarHBondContact N-O 2.98Å; S23-N59 PolarHBondContact O-N 3.28Å; Y25-N59 WeakPolarHBondContact CD2-ND2 3.35Å; Y25-N59 HydrophobicContact CE2-CB 4.13Å; Y25-N59 WeakPolarHBondContact CE2-ND2 3.19Å; Q57-N59 WeakPolarHBondContact CG-OD1 3.44Å; Q57-N59 PolarHBondContact NE2-OD1 2.84Å; N59-F61 HydrophobicContact CB-CZ 4.45Å; N59-S107 WeakPolarHBondContact OD1-CB 3.46Å
60V83Confident85.6Confident5 Ų555.2 Ų55.23%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-114.8116.1174.6-177.70000108.8P20 E21 V22 M63 I69 D106 C127P20-V60 HydrophobicContact CB-CG1 3.9Å; E21-V60 WeakPolarHBondContact O-CA 3.33Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CG1 4.47Å; V22-V60 HydrophobicContact CG2-CG2 4.11Å; V60-M63 HydrophobicContact CB-CB 4.42Å; V60-M63 HydrophobicContact CB-SD 4.42Å; V60-M63 HydrophobicContact CG1-CB 3.88Å; V60-M63 HydrophobicContact CG1-CG 4.07Å; V60-M63 HydrophobicContact CG1-SD 4.47Å; V60-I69 HydrophobicContact CB-CD1 4.05Å; V60-I69 HydrophobicContact CG2-CD1 3.42Å; V60-I69 VanDerWaalsContact CG2-CD1 3.42Å; V60-I69 HydrophobicContact CG2-CG1 3.69Å; V60-D106 PolarHBondContact N-O 2.87Å; V60-D106 WeakPolarHBondContact O-CB 3.4Å; V60-C127 HydrophobicContact CG1-CB 4.22Å; V60-C127 HydrophobicContact CG2-CB 4.08Å
61F80.4Confident85.6Confident86 Ų8651.8 Ų51.838%0.37726%0.261SS..EExtended strand (participates in β ladder)trans-87.6144.1173.7-56.5-77.6000110P20 E21 S23 N59 M63P20-F61 VanDerWaalsContact CA-O 3.27Å; P20-F61 WeakPolarHBondContact CA-O 3.25Å; P20-F61 WeakPolarHBondContact CB-O 3.41Å; E21-F61 HydrophobicContact CB-CB 4.44Å; E21-F61 HydrophobicContact CB-CD2 4.38Å; E21-F61 PolarHBondContact N-O 3.24Å; E21-F61 PolarHBondContact O-N 3.42Å; S23-F61 WeakPolarHBondContact OG-CE2 3.46Å; N59-F61 HydrophobicContact CB-CZ 4.45Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.08Å
62N79.7Confident85.7Confident107 Ų10753.6 Ų53.657%0.57225%0.254SS*.THydrogen-bonded Turntrans56.142.2-178.8-55.8-39.3000113V18 P64V18-N62 HydrophobicContact CG1-CB 4.39Å; N62-P64 VanDerWaalsContact O-CD 3.23Å; N62-P64 WeakPolarHBondContact O-CD 3.43Å
63M78.2Confident85.9Confident45 Ų4549.6 Ų49.622%0.22224%0.235CC..PPolyproline II helixtrans-62.5119.1-177.2-170.1169177.700111.2V60 F61 A67 I69 D106V60-M63 HydrophobicContact CB-CB 4.42Å; V60-M63 HydrophobicContact CB-SD 4.42Å; V60-M63 HydrophobicContact CG1-CB 3.88Å; V60-M63 HydrophobicContact CG1-CG 4.07Å; V60-M63 HydrophobicContact CG1-SD 4.47Å; F61-M63 VanDerWaalsContact C-N 3.31Å; F61-M63 PolarHBondContact O-N 3.08Å; M63-A67 HydrophobicContact CE-CB 3.7Å; M63-A67 WeakPolarHBondContact CE-O 3.36Å; M63-A67 HydrophobicContact CG-CB 3.86Å; M63-I69 HydrophobicContact CE-CD1 4.07Å; M63-I69 HydrophobicContact CE-CG1 3.72Å; M63-I69 HydrophobicContact SD-CD1 3.82Å; M63-I69 HydrophobicContact SD-CG1 4.09Å; M63-D106 HydrophobicContact CB-CB 4.02Å; M63-D106 HydrophobicContact SD-CB 3.85Å
64P77.9Confident86.1Confident32 Ų3247.5 Ų47.521%0.20823%0.228CC..PPolyproline II helixtrans-65.9153.4179.6-21.833.6000112.4P20 N62 G66 A67 Y129P20-P64 HydrophobicContact CG-CG 4.27Å; N62-P64 VanDerWaalsContact O-CD 3.23Å; N62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-G66 PolarHBondContact O-N 2.78Å; P64-A67 HydrophobicContact CB-CB 4.39Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.93Å; P64-Y129 HydrophobicContact CG-CD2 4.19Å; P64-Y129 HydrophobicContact CG-CG 4.03Å
65R79.5Confident86.1Confident252 Ų25248.5 Ų48.595%0.95124%0.235SC*.THydrogen-bonded Turntrans-60.4127.7176.5-69.9-174.6-179.8179.52.3110.9A67R65-A67 VanDerWaalsContact C-N 3.27Å; R65-A67 PolarHBondContact O-N 2.84Å
66G81Confident85.9Confident66 Ų6651.7 Ų51.768%0.6825%0.251SS*.THydrogen-bonded Turntrans79.92.3-178.800000114.9P64P64-G66 PolarHBondContact O-N 2.78Å
67A83.8Confident85.6Confident12 Ų1255 Ų5510%0.09928%0.275CS..  trans-63157.4170.100000111.1M63 P64 R65 Q128M63-A67 HydrophobicContact CE-CB 3.7Å; M63-A67 WeakPolarHBondContact CE-O 3.36Å; M63-A67 HydrophobicContact CG-CB 3.86Å; P64-A67 HydrophobicContact CB-CB 4.39Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.93Å; R65-A67 VanDerWaalsContact C-N 3.27Å; R65-A67 PolarHBondContact O-N 2.84Å; A67-Q128 CarbonylContact C-O 3.59Å; A67-Q128 VanDerWaalsContact CA-O 3.31Å; A67-Q128 WeakPolarHBondContact CA-O 3.49Å
68R85.7Confident85.1Confident178 Ų17857.6 Ų57.667%0.67230%0.303SS*.EExtended strand (participates in β ladder)trans-134.1138.9179.5-63-175.3-178.8-168.9-0.3110.8C127 Q128R68-C127 WeakPolarHBondContact O-CA 3.3Å; R68-Q128 PolarHBondContact N-O 2.72Å; R68-Q128 PolarHBondContact O-N 3.49Å
69I88.4Confident84.6Confident14 Ų1464.6 Ų64.67%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-102.3130.9176.8-55.8170.7000108.7V60 M63 N86 V108 C125 E126V60-I69 HydrophobicContact CB-CD1 4.05Å; V60-I69 HydrophobicContact CG2-CD1 3.42Å; V60-I69 VanDerWaalsContact CG2-CD1 3.42Å; V60-I69 HydrophobicContact CG2-CG1 3.69Å; M63-I69 HydrophobicContact CE-CD1 4.07Å; M63-I69 HydrophobicContact CE-CG1 3.72Å; M63-I69 HydrophobicContact SD-CD1 3.82Å; M63-I69 HydrophobicContact SD-CG1 4.09Å; I69-N86 PolarHBondContact O-ND2 2.96Å; I69-V108 HydrophobicContact CB-CG2 3.75Å; I69-V108 HydrophobicContact CD1-CG2 3.99Å; I69-V108 HydrophobicContact CG1-CG2 4.45Å; I69-V108 HydrophobicContact CG2-CB 4.04Å; I69-V108 HydrophobicContact CG2-CG2 3.78Å; I69-C125 VanDerWaalsContact CG2-SG 3.54Å; I69-E126 WeakPolarHBondContact CA-O 3.5Å
70F90.3Very high84.3Confident31 Ų3169 Ų6914%0.13636%0.361CS..EExtended strand (participates in β ladder)trans-139.6152.5169.752.2-92.2000112.1R72 N86 E126 Q128F70-R72 HydrophobicContact CD2-CG 4.07Å; F70-R72 HydrophobicContact CE2-CG 4.26Å; F70-N86 WeakPolarHBondContact CA-OD1 2.95Å; F70-N86 WeakPolarHBondContact CB-OD1 3.29Å; F70-E126 HydrophobicContact CD2-CB 3.87Å; F70-E126 HydrophobicContact CD2-CG 4.41Å; F70-E126 HydrophobicContact CE1-CG 4.25Å; F70-E126 HydrophobicContact CE2-CB 3.38Å; F70-E126 HydrophobicContact CE2-CG 3.47Å; F70-E126 VanDerWaalsContact CE2-CG 3.47Å; F70-E126 WeakPolarHBondContact CE2-OE1 3.43Å; F70-E126 HydrophobicContact CZ-CB 3.77Å; F70-E126 HydrophobicContact CZ-CG 3.39Å; F70-E126 WeakPolarHBondContact CZ-OE1 3.32Å; F70-E126 PolarHBondContact N-O 2.99Å; F70-E126 PolarHBondContact O-N 2.92Å; F70-Q128 HydrophobicContact CE1-CB 3.66Å; F70-Q128 HydrophobicContact CZ-CB 4.21Å
71W93.5Very high84.4Confident0 Ų075.1 Ų75.10%040%0.398CS..EExtended strand (participates in β ladder)trans-96.4134172.7-76.5107.2000109.5I24 I56 C58 I85 N86 L110 T124 C125I24-W71 HydrophobicContact CD1-CH2 3.64Å; I24-W71 HydrophobicContact CD1-CZ3 3.68Å; I24-W71 HydrophobicContact CG1-CH2 3.74Å; I24-W71 HydrophobicContact CG1-CZ3 4.29Å; I24-W71 HydrophobicContact CG2-CH2 4.27Å; I56-W71 HydrophobicContact CB-CH2 4.09Å; I56-W71 HydrophobicContact CB-CZ2 4.24Å; I56-W71 HydrophobicContact CG2-CH2 3.32Å; I56-W71 HydrophobicContact CG2-CZ2 3.89Å; I56-W71 HydrophobicContact CG2-CZ3 4.08Å; C58-W71 HydrophobicContact CB-CH2 3.91Å; C58-W71 HydrophobicContact CB-CZ2 3.38Å; W71-I85 HydrophobicContact CB-CB 3.82Å; W71-I85 HydrophobicContact CB-CD1 3.9Å; W71-I85 HydrophobicContact CB-CG1 4.15Å; W71-I85 HydrophobicContact CB-CG2 4.23Å; W71-I85 PolarHBondContact O-N 3.24Å; W71-N86 PolarHBondContact N-OD1 3.46Å; W71-L110 HydrophobicContact CD2-CB 4.4Å; W71-L110 HydrophobicContact CD2-CD2 4.31Å; W71-L110 HydrophobicContact CG-CB 4.42Å; W71-L110 HydrophobicContact CG-CD2 4.4Å; W71-L110 HydrophobicContact CZ2-CB 4.48Å; W71-T124 CarbonylContact C-O 3.59Å; W71-T124 WeakPolarHBondContact CA-O 3.49Å; W71-C125 HydrophobicContact CD2-CB 4.28Å; W71-C125 HydrophobicContact CE3-CB 3.94Å; W71-C125 HydrophobicContact CH2-CB 3.87Å; W71-C125 HydrophobicContact CZ2-CB 4.23Å; W71-C125 HydrophobicContact CZ3-CB 3.71Å
72R92.7Very high84.7Confident82 Ų8274 Ų7431%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-119142.2169.1-75.9-177.9175.2144.43.1110.1F70 E83 V84 Y123 T124 E126F70-R72 HydrophobicContact CD2-CG 4.07Å; F70-R72 HydrophobicContact CE2-CG 4.26Å; R72-E83 CarbonylContact C-O 3.58Å; R72-E83 VanDerWaalsContact CA-O 3.27Å; R72-E83 WeakPolarHBondContact CA-O 3.47Å; R72-V84 HydrophobicContact CG-CG2 4.33Å; R72-Y123 CarbonylContact O-C 3.56Å; R72-Y123 WeakPolarHBondContact O-CA 3.44Å; R72-T124 PolarHBondContact N-O 3.06Å; R72-T124 PolarHBondContact O-N 3.14Å; R72-E126 IonicContact CZ-OE1 3.62Å; R72-E126 IonicContact CZ-OE2 3.63Å; R72-E126 IonicContact NH1-OE1 3.81Å; R72-E126 PolarHBondContact NH1-OE1 3.42Å; R72-E126 IonicContact NH1-OE2 2.93Å; R72-E126 PolarHBondContact NH1-OE2 3.15Å; R72-E126 IonicContact NH2-OE1 3.91Å
73R93.4Very high85.2Confident9 Ų971.3 Ų71.33%0.03439%0.385CS..EExtended strand (participates in β ladder)trans-115.9125.6172.7-173.7-173.479.489.94.6109.4E80 S82 E83 I85 S118 K122 Y123R73-E80 IonicContact NH2-OE2 3.07Å; R73-E80 PolarHBondContact NH2-OE2 2.81Å; R73-S82 WeakPolarHBondContact O-CA 3.45Å; R73-E83 HydrophobicContact CB-CB 4.42Å; R73-E83 IonicContact CZ-OE1 2.82Å; R73-E83 IonicContact CZ-OE2 2.73Å; R73-E83 PolarHBondContact N-O 2.98Å; R73-E83 IonicContact NE-OE1 2.96Å; R73-E83 IonicContact NE-OE2 3.74Å; R73-E83 PolarHBondContact NE-OE2 3.23Å; R73-E83 VanDerWaalsContact NE-OE2 3.11Å; R73-E83 IonicContact NH2-OE1 3.58Å; R73-E83 PolarHBondContact NH2-OE1 3.1Å; R73-E83 IonicContact NH2-OE2 3.64Å; R73-E83 PolarHBondContact NH2-OE2 3.28Å; R73-E83 PolarHBondContact O-N 2.88Å; R73-I85 HydrophobicContact CB-CD1 3.98Å; R73-I85 HydrophobicContact CB-CG1 4.31Å; R73-S118 PolarHBondContact NH1-O 3.38Å; R73-K122 WeakPolarHBondContact CA-O 3.32Å; R73-Y123 HydrophobicContact CB-CD1 4.35Å; R73-Y123 HydrophobicContact CB-CE1 4.17Å; R73-Y123 WeakPolarHBondContact CD-OH 3.11Å; R73-Y123 HydrophobicContact CG-CD1 4.36Å; R73-Y123 HydrophobicContact CG-CE1 3.91Å; R73-Y123 HydrophobicContact CG-CE2 4.13Å
74D92.7Very high85.9Confident39 Ų3972 Ų7221%0.20939%0.392CS..EExtended strand (participates in β ladder)trans-108.5130167.3-50-50.1000108.8S82 G121 K122D74-S82 WeakPolarHBondContact OD1-CB 3.38Å; D74-S82 PolarHBondContact OD1-OG 2.81Å; D74-G121 CarbonylContact O-C 3.59Å; D74-G121 WeakPolarHBondContact O-CA 3.35Å; D74-K122 HydrophobicContact CB-CB 4.27Å; D74-K122 PolarHBondContact N-O 3.38Å; D74-K122 PolarHBondContact O-N 2.68Å
75S89.7Confident86.7Confident26 Ų2670.5 Ų70.518%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-64145.1171.4178.50000110.4S77 G78S75-S77 PolarHBondContact O-N 3Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 2.96Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S75-G78 PolarHBondContact O-N 2.95Å
76L85.5Confident87.3Confident85 Ų8558.7 Ų58.745%0.44534%0.337SS..THydrogen-bonded Turntrans-69.9-18.4176.5-63.6-178.7000113.2G78 E120 I141L76-G78 VanDerWaalsContact C-N 3.28Å; L76-E120 HydrophobicContact CD1-CB 4.3Å; L76-I141 HydrophobicContact CD1-CG2 4.16Å; L76-I141 HydrophobicContact CD2-CG2 4.04Å
77S81.8Confident87.7Confident71 Ų7160.5 Ų60.550%0.49733%0.331SS..THydrogen-bonded Turntrans-71.1-25.7173.5620000112.5S75 D79S75-S77 PolarHBondContact O-N 3Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 2.96Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S77-D79 PolarHBondContact O-N 2.02Å; S77-D79 PolarHBondContact OG-N 2.9Å
78G76.7Confident87.7Confident61 Ų6162 Ų6263%0.62935%0.348SS*.SBendtrans75.4-3.2-174.900000114.9S75 L76 E80S75-G78 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.28Å; G78-E80 VanDerWaalsContact C-N 3.35Å
79D77.1Confident87.7Confident147 Ų14757.7 Ų57.779%0.78634%0.338SS*.  trans-80.7-17.7-178-62.1-41.2000113.1S77S77-D79 PolarHBondContact O-N 2.02Å; S77-D79 PolarHBondContact OG-N 2.9Å
80E79.2Confident87.7Confident102 Ų10263.6 Ų63.648%0.47737%0.367SS..SBendtrans-99.3144-177.2-63.7-176.2168.400111.5R73 G78R73-E80 IonicContact NH2-OE2 3.07Å; R73-E80 PolarHBondContact NH2-OE2 2.81Å; G78-E80 VanDerWaalsContact C-N 3.35Å
81V84.4Confident87.8Confident133 Ų13363.1 Ų63.181%0.80637%0.368SS*.PPolyproline II helixtrans-67.2137.2173.2-1790000109.4E83V81-E83 PolarHBondContact O-N 2.99Å
82S86.8Confident87.8Confident63 Ų6370.9 Ų70.944%0.44140%0.397SS..PPolyproline II helixtrans-49.3121.5174.2-55.30000112.1R73 D74R73-S82 WeakPolarHBondContact O-CA 3.45Å; D74-S82 WeakPolarHBondContact OD1-CB 3.38Å; D74-S82 PolarHBondContact OD1-OG 2.81Å
83E90.9Very high87.8Confident50 Ų5069.2 Ų69.223%0.23439%0.394CS..EExtended strand (participates in β ladder)trans-89.8126.4179.6-67.5176.7-170.500110.3R72 R73 V81 R96 W97R72-E83 CarbonylContact C-O 3.58Å; R72-E83 VanDerWaalsContact CA-O 3.27Å; R72-E83 WeakPolarHBondContact CA-O 3.47Å; R73-E83 HydrophobicContact CB-CB 4.42Å; R73-E83 IonicContact CZ-OE1 2.82Å; R73-E83 IonicContact CZ-OE2 2.73Å; R73-E83 PolarHBondContact N-O 2.98Å; R73-E83 IonicContact NE-OE1 2.96Å; R73-E83 IonicContact NE-OE2 3.74Å; R73-E83 PolarHBondContact NE-OE2 3.23Å; R73-E83 VanDerWaalsContact NE-OE2 3.11Å; R73-E83 IonicContact NH2-OE1 3.58Å; R73-E83 PolarHBondContact NH2-OE1 3.1Å; R73-E83 IonicContact NH2-OE2 3.64Å; R73-E83 PolarHBondContact NH2-OE2 3.28Å; R73-E83 PolarHBondContact O-N 2.88Å; V81-E83 PolarHBondContact O-N 2.99Å; E83-R96 IonicContact OE1-NH1 2.78Å; E83-R96 IonicContact OE1-NH2 2.76Å; E83-R96 IonicContact OE2-CZ 2.7Å; E83-R96 IonicContact OE2-NH1 3.26Å; E83-R96 PolarHBondContact OE2-NH1 3.46Å; E83-R96 IonicContact OE2-NH2 3.33Å; E83-R96 PolarHBondContact OE2-NH2 2.92Å; E83-W97 WeakPolarHBondContact OE2-CH2 3.48Å
84V93.2Very high87.6Confident59 Ų5976.2 Ų76.236%0.35843%0.429SS..EExtended strand (participates in β ladder)trans-81.4125166.6-176.20000108R72 R92R72-V84 HydrophobicContact CG-CG2 4.33Å; V84-R92 WeakPolarHBondContact O-CD 3.44Å
85I93.8Very high87.4Confident0 Ų079.4 Ų79.40%046%0.455CS..  trans-88.3-38-169.8-61.9-171.5000111.7W71 R73 R92 W97 I99 L110 Y123W71-I85 HydrophobicContact CB-CB 3.82Å; W71-I85 HydrophobicContact CB-CD1 3.9Å; W71-I85 HydrophobicContact CB-CG1 4.15Å; W71-I85 HydrophobicContact CB-CG2 4.23Å; W71-I85 PolarHBondContact O-N 3.24Å; R73-I85 HydrophobicContact CB-CD1 3.98Å; R73-I85 HydrophobicContact CB-CG1 4.31Å; I85-R92 WeakPolarHBondContact O-CB 3.28Å; I85-R92 PolarHBondContact O-N 2.93Å; I85-W97 HydrophobicContact CB-CZ2 4.31Å; I85-W97 HydrophobicContact CG1-CH2 4.43Å; I85-W97 HydrophobicContact CG1-CZ2 4.05Å; I85-W97 HydrophobicContact CG2-CD2 3.98Å; I85-W97 HydrophobicContact CG2-CG 3.89Å; I85-W97 HydrophobicContact CG2-CZ2 4.13Å; I85-W97 PolarHBondContact O-NE1 3Å; I85-I99 HydrophobicContact CG2-CD1 3.88Å; I85-L110 HydrophobicContact CD1-CD2 3.84Å; I85-L110 HydrophobicContact CG2-CD1 3.76Å; I85-Y123 HydrophobicContact CD1-CD1 3.74Å; I85-Y123 HydrophobicContact CD1-CE1 3.77Å
86N93.7Very high87.5Confident4 Ų481.4 Ų81.42%0.02146%0.458CS..EExtended strand (participates in β ladder)trans-131.8157.8-171.270.1-52.8000112.9I69 F70 W71 G88 M90 I99I69-N86 PolarHBondContact O-ND2 2.96Å; F70-N86 WeakPolarHBondContact CA-OD1 2.95Å; F70-N86 WeakPolarHBondContact CB-OD1 3.29Å; W71-N86 PolarHBondContact N-OD1 3.46Å; N86-G88 PolarHBondContact ND2-O 3.46Å; N86-M90 CarbonylContact C-O 3.58Å; N86-M90 VanDerWaalsContact CA-O 3.22Å; N86-M90 WeakPolarHBondContact CA-O 3.49Å; N86-M90 WeakPolarHBondContact CB-O 3.37Å; N86-I99 HydrophobicContact CB-CB 4.47Å; N86-I99 HydrophobicContact CB-CD1 3.82Å; N86-I99 HydrophobicContact CB-CG1 3.68Å; N86-I99 HydrophobicContact CB-CG2 4.17Å
87D87.8Confident87.8Confident104 Ų10477.6 Ų77.656%0.55644%0.438SS*.EExtended strand (participates in β ladder)trans-125.3104.3164.4-1715000107.9L89 M90 R92D87-L89 PolarHBondContact O-N 2.97Å; D87-M90 PolarHBondContact N-O 3.45Å; D87-M90 PolarHBondContact O-N 2.9Å; D87-M90 VanDerWaalsContact O-N 3.13Å; D87-R92 HydrophobicContact CB-CG 4.43Å
88G84.9Confident88.3Confident44 Ų4479 Ų7945%0.45444%0.437SS..THydrogen-bonded Turntrans60.6-128.3-166.600000111.7N86 M90N86-G88 PolarHBondContact ND2-O 3.46Å; G88-M90 VanDerWaalsContact C-N 3.32Å
89L85.7Confident89.1Confident88 Ų8877.2 Ų77.246%0.46141%0.413SS..THydrogen-bonded Turntrans-92.413.7176.7-67.3176.8000113.4D87 Q101 V108D87-L89 PolarHBondContact O-N 2.97Å; L89-Q101 HydrophobicContact CD1-CB 4.4Å; L89-V108 HydrophobicContact CD2-CG1 4.38Å; L89-V108 HydrophobicContact CD2-CG2 4.05Å
90M88.1Confident89.7Confident138 Ų13871.2 Ų71.268%0.6839%0.385SS*.EExtended strand (participates in β ladder)trans-106.4137177.3-63.5-173.569.600111N86 D87 G88N86-M90 CarbonylContact C-O 3.58Å; N86-M90 VanDerWaalsContact CA-O 3.22Å; N86-M90 WeakPolarHBondContact CA-O 3.49Å; N86-M90 WeakPolarHBondContact CB-O 3.37Å; D87-M90 PolarHBondContact N-O 3.45Å; D87-M90 PolarHBondContact O-N 2.9Å; D87-M90 VanDerWaalsContact O-N 3.13Å; G88-M90 VanDerWaalsContact C-N 3.32Å
91S93Very high90.2Very high21 Ų2172 Ų7215%0.14739%0.389CS..EExtended strand (participates in β ladder)trans-71.1136.2169.9177.50000110.4D93 M94 W97S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact OG-N 3.1Å; S91-D93 VanDerWaalsContact OG-N 3.12Å; S91-D93 PolarHBondContact OG-O 3.48Å; S91-M94 PolarHBondContact OG-N 3Å; S91-W97 VanDerWaalsContact CB-O 3.24Å; S91-W97 WeakPolarHBondContact CB-O 3.08Å; S91-W97 PolarHBondContact OG-NE1 2.02Å; S91-W97 PolarHBondContact OG-O 2.88Å
92R92.9Very high90.1Very high162 Ų16266.3 Ų66.361%0.61136%0.356SS*.SBendtrans-77.1-18.2171.3-65.8176.267.193.92.9112.3V84 I85 D87V84-R92 WeakPolarHBondContact O-CD 3.44Å; I85-R92 WeakPolarHBondContact O-CB 3.28Å; I85-R92 PolarHBondContact O-N 2.93Å; D87-R92 HydrophobicContact CB-CG 4.43Å
93D91.8Very high89.5Confident48 Ų4869 Ų6926%0.25736%0.361SS..  trans-141.988.5177.4-176-4.7000109.7S91 S95 R96 W97S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact OG-N 3.1Å; S91-D93 VanDerWaalsContact OG-N 3.12Å; S91-D93 PolarHBondContact OG-O 3.48Å; D93-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact O-N 3.12Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 3.38Å; D93-S95 VanDerWaalsContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 3.29Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 WeakPolarHBondContact OD2-CG 3.1Å; D93-R96 IonicContact OD2-CZ 3.3Å; D93-R96 IonicContact OD2-NE 3.8Å; D93-R96 PolarHBondContact OD2-NE 3.16Å; D93-R96 IonicContact OD2-NH2 2.68Å; D93-W97 HydrophobicContact CB-CZ2 4.39Å; D93-W97 PolarHBondContact O-N 3.47Å
94M88.8Confident89Confident156 Ų15671.9 Ų71.977%0.76837%0.374SS*.THydrogen-bonded Turntrans-66.8-9.7-178.1-57.8-172.7-49.100113.3S91S91-M94 PolarHBondContact OG-N 3Å
95S90.3Very high88.3Confident106 Ų10677 Ų7774%0.74139%0.394SS*.THydrogen-bonded Turntrans-80.5-25.5177.774.70000112.8D93D93-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact O-N 3.12Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 3.38Å; D93-S95 VanDerWaalsContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 3.29Å
96R91.4Very high87.9Confident68 Ų6879.9 Ų79.926%0.25741%0.409SS..THydrogen-bonded Turntrans-103.3-35.3-175.9-70.7-162-68161.33113.4E83 D93 Y119E83-R96 IonicContact OE1-NH1 2.78Å; E83-R96 IonicContact OE1-NH2 2.76Å; E83-R96 IonicContact OE2-CZ 2.7Å; E83-R96 IonicContact OE2-NH1 3.26Å; E83-R96 PolarHBondContact OE2-NH1 3.46Å; E83-R96 IonicContact OE2-NH2 3.33Å; E83-R96 PolarHBondContact OE2-NH2 2.92Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 WeakPolarHBondContact OD2-CG 3.1Å; D93-R96 IonicContact OD2-CZ 3.3Å; D93-R96 IonicContact OD2-NE 3.8Å; D93-R96 PolarHBondContact OD2-NE 3.16Å; D93-R96 IonicContact OD2-NH2 2.68Å; R96-Y119 WeakPolarHBondContact CA-OH 3.21Å; R96-Y119 HydrophobicContact CB-CE1 4.04Å; R96-Y119 HydrophobicContact CG-CE1 4.46Å; R96-Y119 PolarHBondContact O-OH 2.77Å
97W91.3Very high87.5Confident4 Ų480 Ų802%0.01541%0.41CS..  trans-155.5153.4-176.242.173.2000113.6E83 I85 S91 D93 L110 E111 Y119E83-W97 WeakPolarHBondContact OE2-CH2 3.48Å; I85-W97 HydrophobicContact CB-CZ2 4.31Å; I85-W97 HydrophobicContact CG1-CH2 4.43Å; I85-W97 HydrophobicContact CG1-CZ2 4.05Å; I85-W97 HydrophobicContact CG2-CD2 3.98Å; I85-W97 HydrophobicContact CG2-CG 3.89Å; I85-W97 HydrophobicContact CG2-CZ2 4.13Å; I85-W97 PolarHBondContact O-NE1 3Å; S91-W97 VanDerWaalsContact CB-O 3.24Å; S91-W97 WeakPolarHBondContact CB-O 3.08Å; S91-W97 PolarHBondContact OG-NE1 2.02Å; S91-W97 PolarHBondContact OG-O 2.88Å; D93-W97 HydrophobicContact CB-CZ2 4.39Å; D93-W97 PolarHBondContact O-N 3.47Å; W97-L110 HydrophobicContact CB-CD1 3.58Å; W97-L110 HydrophobicContact CG-CD1 3.92Å; W97-E111 VanDerWaalsContact CA-O 3.3Å; W97-E111 WeakPolarHBondContact CA-O 3.44Å; W97-E111 WeakPolarHBondContact CB-O 3.35Å; W97-Y119 HydrophobicContact CE3-CD1 4.4Å; W97-Y119 AromaticContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CZ3-CD1 4.34Å; W97-Y119 HydrophobicContact CZ3-CE1 4.07Å
98E92.5Very high87.6Confident102 Ų10275.4 Ų75.448%0.47739%0.386SS..EExtended strand (participates in β ladder)trans-106.7144.3173.4-63.2177.7-178.400109.8E111E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.81Å; E98-E111 PolarHBondContact O-N 2.91Å
99I93.5Very high87.9Confident23 Ų2376.2 Ų76.212%0.11838%0.375CS..EExtended strand (participates in β ladder)trans-117.1133176.8-59.6-68.6000107.6I85 N86 V108 R109 L110I85-I99 HydrophobicContact CG2-CD1 3.88Å; N86-I99 HydrophobicContact CB-CB 4.47Å; N86-I99 HydrophobicContact CB-CD1 3.82Å; N86-I99 HydrophobicContact CB-CG1 3.68Å; N86-I99 HydrophobicContact CB-CG2 4.17Å; I99-V108 HydrophobicContact CG2-CG1 3.79Å; I99-R109 WeakPolarHBondContact CA-O 3.4Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CD1-CD1 3.73Å
100G89.4Confident88.1Confident20 Ų2072 Ų7221%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-140.1170.5178.500000111.9R109G100-R109 PolarHBondContact N-O 2.99Å; G100-R109 PolarHBondContact O-N 2.81Å
101Q89Confident88.3Confident120 Ų12066.4 Ų66.456%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-73.5133.9167.8-169.3153.718.100109.1L89 Q105L89-Q101 HydrophobicContact CD1-CB 4.4Å; Q101-Q105 PolarHBondContact NE2-O 3.02Å; Q101-Q105 VanDerWaalsContact NE2-O 3.09Å
102G82.5Confident88.3Confident12 Ų1265.5 Ų65.512%0.12432%0.319CS..  trans-75.4-174.8174.200000111.9Q104 S107G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.91Å; G102-S107 WeakPolarHBondContact CA-OG 3.45Å; G102-S107 PolarHBondContact N-O 2.89Å; G102-S107 PolarHBondContact N-OG 3.48Å; G102-S107 PolarHBondContact O-OG 2.77Å
103K75.9Confident88Confident121 Ų12162.3 Ų62.353%0.52631%0.312SS..SBendtrans-72.1-22.1-178.3-69.1176-178.8147.30114.3E27 S107E27-K103 VanDerWaalsContact CD-NZ 3.27Å; E27-K103 WeakPolarHBondContact OE1-CE 3.41Å; E27-K103 IonicContact OE1-NZ 2.7Å; E27-K103 PolarHBondContact OE1-NZ 2.88Å; E27-K103 IonicContact OE2-NZ 2.66Å; E27-K103 PolarHBondContact OE2-NZ 3.11Å; E27-K103 VanDerWaalsContact OE2-NZ 3.16Å; K103-S107 PolarHBondContact N-OG 2.88Å
104Q80Confident88Confident110 Ų11063.2 Ų63.251%0.51432%0.322SS..SBendtrans-95.1155.3178.4-62.3-64.3-21.300110.1G102 D106 S107G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.91Å; Q104-D106 VanDerWaalsContact C-N 3.32Å; Q104-D106 PolarHBondContact O-N 2.82Å; Q104-S107 PolarHBondContact N-OG 3.36Å; Q104-S107 PolarHBondContact O-N 2.71Å; Q104-S107 PolarHBondContact O-OG 3.06Å
105Q78.4Confident88.2Confident165 Ų16556 Ų5677%0.77129%0.286SS*.THydrogen-bonded Turntrans-53.2-50.2-178.5-177.4171.36.100111.9Q101 S107Q101-Q105 PolarHBondContact NE2-O 3.02Å; Q101-Q105 VanDerWaalsContact NE2-O 3.09Å; Q105-S107 PolarHBondContact O-N 2.97Å
106D84.8Confident88.4Confident62 Ų6254.1 Ų54.133%0.33227%0.268SS..THydrogen-bonded Turntrans-10163.3-179.7-61.6-35.4000110.4V60 M63 Q104V60-D106 PolarHBondContact N-O 2.87Å; V60-D106 WeakPolarHBondContact O-CB 3.4Å; M63-D106 HydrophobicContact CB-CB 4.02Å; M63-D106 HydrophobicContact SD-CB 3.85Å; Q104-D106 VanDerWaalsContact C-N 3.32Å; Q104-D106 PolarHBondContact O-N 2.82Å
107S85.8Confident88.3Confident5 Ų555.2 Ų55.24%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-140.6145.2179.166.90000114.6C58 N59 G102 K103 Q104 Q105C58-S107 CarbonylContact O-C 3.59Å; C58-S107 WeakPolarHBondContact O-CA 3.22Å; C58-S107 WeakPolarHBondContact O-CB 2.97Å; N59-S107 WeakPolarHBondContact OD1-CB 3.46Å; G102-S107 WeakPolarHBondContact CA-OG 3.45Å; G102-S107 PolarHBondContact N-O 2.89Å; G102-S107 PolarHBondContact N-OG 3.48Å; G102-S107 PolarHBondContact O-OG 2.77Å; K103-S107 PolarHBondContact N-OG 2.88Å; Q104-S107 PolarHBondContact N-OG 3.36Å; Q104-S107 PolarHBondContact O-N 2.71Å; Q104-S107 PolarHBondContact O-OG 3.06Å; Q105-S107 PolarHBondContact O-N 2.97Å
108V90.4Very high88.3Confident9 Ų958.6 Ų58.66%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-122.9131.1178.1-178.50000109.3C58 I69 L89 I99C58-V108 PolarHBondContact N-O 2.88Å; C58-V108 PolarHBondContact O-N 3.19Å; I69-V108 HydrophobicContact CB-CG2 3.75Å; I69-V108 HydrophobicContact CD1-CG2 3.99Å; I69-V108 HydrophobicContact CG1-CG2 4.45Å; I69-V108 HydrophobicContact CG2-CB 4.04Å; I69-V108 HydrophobicContact CG2-CG2 3.78Å; L89-V108 HydrophobicContact CD2-CG1 4.38Å; L89-V108 HydrophobicContact CD2-CG2 4.05Å; I99-V108 HydrophobicContact CG2-CG1 3.79Å
109R89.7Confident88.3Confident61 Ų6154.7 Ų54.723%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-107.8129.3-178.2-176.9178.8178.5-148.6-14.6109.7I55 I99 G100 E111I55-R109 HydrophobicContact CG2-CG 3.68Å; I99-R109 WeakPolarHBondContact CA-O 3.4Å; G100-R109 PolarHBondContact N-O 2.99Å; G100-R109 PolarHBondContact O-N 2.81Å; R109-E111 WeakPolarHBondContact CD-OE1 3.45Å; R109-E111 HydrophobicContact CG-CG 3.96Å; R109-E111 IonicContact CZ-OE1 2.9Å; R109-E111 IonicContact CZ-OE2 3.92Å; R109-E111 IonicContact NE-OE1 3.41Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 VanDerWaalsContact NE-OE1 3.11Å; R109-E111 IonicContact NE-OE2 2.74Å; R109-E111 IonicContact NH1-OE1 2.65Å; R109-E111 PolarHBondContact NH1-OE1 3.03Å; R109-E111 IonicContact NH1-OE2 3.16Å; R109-E111 IonicContact NH2-OE1 3.11Å; R109-E111 PolarHBondContact NH2-OE1 2.72Å; R109-E111 IonicContact NH2-OE2 3.99Å; R109-E111 PolarHBondContact NH2-OE2 2.76Å
110L91.8Very high88.2Confident0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-105.2125.2172170.460.5000108.8I55 I56 W71 I85 W97 I99 Y123I55-L110 CarbonylContact C-O 3.54Å; I55-L110 WeakPolarHBondContact CA-O 3.39Å; I56-L110 HydrophobicContact CB-CB 4.47Å; I56-L110 HydrophobicContact CD1-CD2 4.46Å; I56-L110 PolarHBondContact N-O 3.2Å; I56-L110 PolarHBondContact O-N 2.91Å; W71-L110 HydrophobicContact CD2-CB 4.4Å; W71-L110 HydrophobicContact CD2-CD2 4.31Å; W71-L110 HydrophobicContact CG-CB 4.42Å; W71-L110 HydrophobicContact CG-CD2 4.4Å; W71-L110 HydrophobicContact CZ2-CB 4.48Å; I85-L110 HydrophobicContact CD1-CD2 3.84Å; I85-L110 HydrophobicContact CG2-CD1 3.76Å; W97-L110 HydrophobicContact CB-CD1 3.58Å; W97-L110 HydrophobicContact CG-CD1 3.92Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CD1-CD1 3.73Å; L110-Y123 HydrophobicContact CD2-CD1 3.58Å; L110-Y123 HydrophobicContact CD2-CE1 3.84Å
111E91.1Very high88.4Confident20 Ų2054.4 Ų54.49%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-119.9122.8179.1-50.6-169.1-149.100110.6K53 I55 W97 E98 R109K53-E111 WeakPolarHBondContact CE-OE2 3.45Å; K53-E111 IonicContact NZ-OE2 2.78Å; K53-E111 PolarHBondContact NZ-OE2 3.31Å; I55-E111 HydrophobicContact CG1-CB 4.5Å; I55-E111 HydrophobicContact CG1-CG 4.14Å; I55-E111 HydrophobicContact CG2-CG 4.48Å; W97-E111 VanDerWaalsContact CA-O 3.3Å; W97-E111 WeakPolarHBondContact CA-O 3.44Å; W97-E111 WeakPolarHBondContact CB-O 3.35Å; E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.81Å; E98-E111 PolarHBondContact O-N 2.91Å; R109-E111 WeakPolarHBondContact CD-OE1 3.45Å; R109-E111 HydrophobicContact CG-CG 3.96Å; R109-E111 IonicContact CZ-OE1 2.9Å; R109-E111 IonicContact CZ-OE2 3.92Å; R109-E111 IonicContact NE-OE1 3.41Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 VanDerWaalsContact NE-OE1 3.11Å; R109-E111 IonicContact NE-OE2 2.74Å; R109-E111 IonicContact NH1-OE1 2.65Å; R109-E111 PolarHBondContact NH1-OE1 3.03Å; R109-E111 IonicContact NH1-OE2 3.16Å; R109-E111 IonicContact NH2-OE1 3.11Å; R109-E111 PolarHBondContact NH2-OE1 2.72Å; R109-E111 IonicContact NH2-OE2 3.99Å; R109-E111 PolarHBondContact NH2-OE2 2.76Å
112I92.5Very high88.5Confident1 Ų152 Ų521%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-106.6113.1170.8-54.9169.1000106.6K53 V54 L115 Y119 Y123 L142K53-I112 CarbonylContact C-O 3.53Å; K53-I112 VanDerWaalsContact CA-O 3.27Å; K53-I112 WeakPolarHBondContact CA-O 3.48Å; K53-I112 WeakPolarHBondContact CG-O 3.44Å; V54-I112 PolarHBondContact N-O 3.3Å; V54-I112 PolarHBondContact O-N 3.48Å; I112-L115 HydrophobicContact CB-CD2 4.31Å; I112-L115 HydrophobicContact CD1-CD2 4.16Å; I112-L115 HydrophobicContact CG2-CD2 3.83Å; I112-L115 HydrophobicContact CG2-CG 4.48Å; I112-Y119 HydrophobicContact CD1-CD1 4.07Å; I112-Y119 HydrophobicContact CG2-CD1 4.01Å; I112-Y119 HydrophobicContact CG2-CD2 4.42Å; I112-Y119 HydrophobicContact CG2-CE1 3.93Å; I112-Y119 HydrophobicContact CG2-CE2 4.33Å; I112-Y119 HydrophobicContact CG2-CG 4.25Å; I112-Y123 HydrophobicContact CD1-CE1 4.36Å; I112-L142 HydrophobicContact CD1-CD2 3.98Å
113M87.3Confident88.9Confident96 Ų9651.4 Ų51.447%0.47326%0.255SS..SBendtrans-75.7-30.7-169.2-68.6-60.5-72.200113.5K53K53-M113 HydrophobicContact CD-CE 4.42Å; K53-M113 HydrophobicContact CD-SD 3.82Å; K53-M113 VanDerWaalsContact CE-SD 3.5Å; K53-M113 HydrophobicContact CG-SD 4.38Å; K53-M113 PolarHBondContact NZ-SD 3.16Å; K53-M113 VanDerWaalsContact NZ-SD 3.39Å
114S92.1Very high89.6Confident67 Ų6746.1 Ų46.147%0.46923%0.233SC..SBendtrans-149111.8177.8-162.40000109.8G51G51-S114 WeakPolarHBondContact CA-OG 3.34Å; G51-S114 PolarHBondContact O-OG 3.08Å
115L92.8Very high90.1Very high3 Ų340.9 Ų40.92%0.01621%0.208CC..  trans-72.6143.9-179.6-73.6174.8000112.6V50 G51 E52 V54 I112 Y119 L142 V144V50-L115 CarbonylContact C-O 3.57Å; V50-L115 WeakPolarHBondContact CA-O 3.47Å; G51-L115 PolarHBondContact N-O 3.09Å; E52-L115 WeakPolarHBondContact O-CG 3.11Å; E52-L115 PolarHBondContact O-N 3.48Å; V54-L115 HydrophobicContact CB-CD1 4.21Å; V54-L115 HydrophobicContact CB-CG 4.5Å; V54-L115 HydrophobicContact CG2-CD1 3.43Å; V54-L115 VanDerWaalsContact CG2-CD1 3.43Å; V54-L115 HydrophobicContact CG2-CG 4.19Å; I112-L115 HydrophobicContact CB-CD2 4.31Å; I112-L115 HydrophobicContact CD1-CD2 4.16Å; I112-L115 HydrophobicContact CG2-CD2 3.83Å; I112-L115 HydrophobicContact CG2-CG 4.48Å; L115-Y119 HydrophobicContact CD2-CG 4.33Å; L115-L142 HydrophobicContact CD2-CD2 3.88Å; L115-V144 HydrophobicContact CB-CG1 4.39Å; L115-V144 HydrophobicContact CD1-CG2 4.46Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å
116D93.4Very high90.5Very high67 Ų6733.4 Ų33.436%0.35817%0.173SC..  trans-134.5177.7160.768.548.3000109.1S118 Y119D116-S118 PolarHBondContact O-N 2.82Å; D116-S118 WeakPolarHBondContact OD1-CA 2.78Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 2.77Å; D116-Y119 HydrophobicContact CB-CD2 4.45Å; D116-Y119 PolarHBondContact O-N 2.8Å; D116-Y119 WeakPolarHBondContact OD1-CD2 3.05Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.11Å
117K91Very high90.6Very high91 Ų9130.4 Ų30.440%0.39616%0.157SC..G310 helixtrans-63.6-25.2-175-170.755.4165.9-179.60113.8Y119 E120 V144 I176K117-Y119 PolarHBondContact O-N 3.37Å; K117-E120 HydrophobicContact CD-CG 4.12Å; K117-E120 WeakPolarHBondContact CE-OE2 3.35Å; K117-E120 IonicContact NZ-OE1 2.68Å; K117-E120 PolarHBondContact NZ-OE1 2.92Å; K117-E120 IonicContact NZ-OE2 3.78Å; K117-E120 PolarHBondContact NZ-OE2 2.82Å; K117-E120 PolarHBondContact O-N 3.2Å; K117-V144 PolarHBondContact NZ-O 2.82Å; K117-I176 HydrophobicContact CD-CD1 3.88Å; K117-I176 HydrophobicContact CG-CD1 4.33Å
118S90.2Very high90.3Very high76 Ų7633.6 Ų33.653%0.53117%0.172SC..G310 helixtrans-70.1-20.3-177.975.40000113.3R73 D116 E120R73-S118 PolarHBondContact NH1-O 3.38Å; D116-S118 PolarHBondContact O-N 2.82Å; D116-S118 WeakPolarHBondContact OD1-CA 2.78Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 2.77Å; S118-E120 PolarHBondContact O-N 2.82Å
119Y92Very high89.7Confident20 Ų2035 Ų358%0.07818%0.176CC..G310 helixtrans-77.5-3.8175.8-66.7-80.2000113.6R96 W97 I112 L115 D116 K117 G121 Y123R96-Y119 WeakPolarHBondContact CA-OH 3.21Å; R96-Y119 HydrophobicContact CB-CE1 4.04Å; R96-Y119 HydrophobicContact CG-CE1 4.46Å; R96-Y119 PolarHBondContact O-OH 2.77Å; W97-Y119 HydrophobicContact CE3-CD1 4.4Å; W97-Y119 AromaticContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CE3-CE1 3.94Å; W97-Y119 HydrophobicContact CZ3-CD1 4.34Å; W97-Y119 HydrophobicContact CZ3-CE1 4.07Å; I112-Y119 HydrophobicContact CD1-CD1 4.07Å; I112-Y119 HydrophobicContact CG2-CD1 4.01Å; I112-Y119 HydrophobicContact CG2-CD2 4.42Å; I112-Y119 HydrophobicContact CG2-CE1 3.93Å; I112-Y119 HydrophobicContact CG2-CE2 4.33Å; I112-Y119 HydrophobicContact CG2-CG 4.25Å; L115-Y119 HydrophobicContact CD2-CG 4.33Å; D116-Y119 HydrophobicContact CB-CD2 4.45Å; D116-Y119 PolarHBondContact O-N 2.8Å; D116-Y119 WeakPolarHBondContact OD1-CD2 3.05Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.11Å; K117-Y119 PolarHBondContact O-N 3.37Å; Y119-G121 PolarHBondContact O-N 2.78Å; Y119-Y123 WeakPolarHBondContact O-CE2 3.49Å; Y119-Y123 PolarHBondContact O-OH 3.35Å
120E92.2Very high88.9Confident36 Ų3638.4 Ų38.417%0.16820%0.204CC..  trans-60.5132.3171.9-75-164.9153.500111.3L76 K117 S118 L142 V144L76-E120 HydrophobicContact CD1-CB 4.3Å; K117-E120 HydrophobicContact CD-CG 4.12Å; K117-E120 WeakPolarHBondContact CE-OE2 3.35Å; K117-E120 IonicContact NZ-OE1 2.68Å; K117-E120 PolarHBondContact NZ-OE1 2.92Å; K117-E120 IonicContact NZ-OE2 3.78Å; K117-E120 PolarHBondContact NZ-OE2 2.82Å; K117-E120 PolarHBondContact O-N 3.2Å; S118-E120 PolarHBondContact O-N 2.82Å; E120-L142 WeakPolarHBondContact CA-O 3.33Å; E120-V144 HydrophobicContact CG-CB 3.83Å; E120-V144 HydrophobicContact CG-CG2 3.76Å; E120-V144 PolarHBondContact OE1-N 2.93Å
121G92.8Very high87.8Confident0 Ų042.1 Ų42.10%024%0.243CC..EExtended strand (participates in β ladder)trans174.1168.2-171.800000113.6D74 Y119 I141 L142D74-G121 CarbonylContact O-C 3.59Å; D74-G121 WeakPolarHBondContact O-CA 3.35Å; Y119-G121 PolarHBondContact O-N 2.78Å; G121-I141 WeakPolarHBondContact O-CA 3.49Å; G121-L142 PolarHBondContact N-O 3.12Å; G121-L142 PolarHBondContact O-N 3.03Å
122K91.7Very high86.6Confident70 Ų7042.1 Ų42.130%0.30425%0.245SC..EExtended strand (participates in β ladder)trans-91.7110.4167.6-179.6-171175.4-166.30108.5R73 D74 H139 R140R73-K122 WeakPolarHBondContact CA-O 3.32Å; D74-K122 HydrophobicContact CB-CB 4.27Å; D74-K122 PolarHBondContact N-O 3.38Å; D74-K122 PolarHBondContact O-N 2.68Å; K122-H139 HydrophobicContact CD-CB 4.41Å; K122-H139 WeakPolarHBondContact CE-CD2 3.44Å; K122-H139 HydrophobicContact CG-CB 3.9Å; K122-R140 CarbonylContact C-O 3.58Å; K122-R140 WeakPolarHBondContact CA-O 3.16Å
123Y91.6Very high85.5Confident0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-93.6110.6175.8-70.7-99.2000108.8I56 R72 R73 I85 L110 I112 Y119 H139 R140 L142I56-Y123 HydrophobicContact CD1-CD1 4.44Å; I56-Y123 HydrophobicContact CD1-CG 4.15Å; R72-Y123 CarbonylContact O-C 3.56Å; R72-Y123 WeakPolarHBondContact O-CA 3.44Å; R73-Y123 HydrophobicContact CB-CD1 4.35Å; R73-Y123 HydrophobicContact CB-CE1 4.17Å; R73-Y123 WeakPolarHBondContact CD-OH 3.11Å; R73-Y123 HydrophobicContact CG-CD1 4.36Å; R73-Y123 HydrophobicContact CG-CE1 3.91Å; R73-Y123 HydrophobicContact CG-CE2 4.13Å; I85-Y123 HydrophobicContact CD1-CD1 3.74Å; I85-Y123 HydrophobicContact CD1-CE1 3.77Å; L110-Y123 HydrophobicContact CD2-CD1 3.58Å; L110-Y123 HydrophobicContact CD2-CE1 3.84Å; I112-Y123 HydrophobicContact CD1-CE1 4.36Å; Y119-Y123 WeakPolarHBondContact O-CE2 3.49Å; Y119-Y123 PolarHBondContact O-OH 3.35Å; Y123-H139 CarbonylContact O-C 3.55Å; Y123-H139 WeakPolarHBondContact O-CA 3.49Å; Y123-H139 WeakPolarHBondContact O-CB 3.14Å; Y123-R140 PolarHBondContact N-O 2.84Å; Y123-R140 PolarHBondContact O-N 2.85Å; Y123-L142 HydrophobicContact CD2-CB 3.89Å; Y123-L142 HydrophobicContact CD2-CD2 4.49Å; Y123-L142 HydrophobicContact CE2-CB 3.76Å; Y123-L142 HydrophobicContact CE2-CD2 3.79Å; Y123-L142 HydrophobicContact CE2-CG 4.42Å
124T90.7Very high84.8Confident9 Ų950.9 Ų50.96%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-104.6120.7-178.8-56.40000109.2W71 R72 R137 V138 H139W71-T124 CarbonylContact C-O 3.59Å; W71-T124 WeakPolarHBondContact CA-O 3.49Å; R72-T124 PolarHBondContact N-O 3.06Å; R72-T124 PolarHBondContact O-N 3.14Å; T124-R137 HydrophobicContact CG2-CB 4.12Å; T124-R137 HydrophobicContact CG2-CG 4.22Å; T124-V138 CarbonylContact C-O 3.51Å; T124-V138 WeakPolarHBondContact CA-O 3.24Å; T124-H139 HydrophobicContact CG2-CB 4.33Å; T124-H139 WeakPolarHBondContact OG1-CB 3.38Å
125C89.5Confident84.2Confident0 Ų048.4 Ų48.40%028%0.276CS..EExtended strand (participates in β ladder)trans-87.9131.2164.6-176.40000109.1V22 I24 C58 I69 W71 R137 V138V22-C125 HydrophobicContact CG1-CB 4.25Å; I24-C125 HydrophobicContact CD1-CB 3.97Å; I24-C125 HydrophobicContact CG1-CB 4.13Å; C58-C125 HydrophobicContact CB-CB 3.55Å; C58-C125 WeakPolarHBondContact CB-SG 3.2Å; C58-C125 WeakPolarHBondContact SG-CB 3.35Å; C58-C125 CovalentContact SG-SG 2Å; C58-C125 PolarHBondContact SG-SG 2.81Å; I69-C125 VanDerWaalsContact CG2-SG 3.54Å; W71-C125 HydrophobicContact CD2-CB 4.28Å; W71-C125 HydrophobicContact CE3-CB 3.94Å; W71-C125 HydrophobicContact CH2-CB 3.87Å; W71-C125 HydrophobicContact CZ2-CB 4.23Å; W71-C125 HydrophobicContact CZ3-CB 3.71Å; C125-R137 WeakPolarHBondContact O-CA 3.39Å; C125-V138 HydrophobicContact CB-CG1 4.3Å; C125-V138 PolarHBondContact N-O 2.84Å; C125-V138 PolarHBondContact O-N 3.37Å; C125-V138 VanDerWaalsContact O-N 3.07Å
126E88Confident83.5Confident8 Ų849.3 Ų49.34%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-131.1129.3-176-176168.3145.400110.4I69 F70 R72 P135 A136 R137I69-E126 WeakPolarHBondContact CA-O 3.5Å; F70-E126 HydrophobicContact CD2-CB 3.87Å; F70-E126 HydrophobicContact CD2-CG 4.41Å; F70-E126 HydrophobicContact CE1-CG 4.25Å; F70-E126 HydrophobicContact CE2-CB 3.38Å; F70-E126 HydrophobicContact CE2-CG 3.47Å; F70-E126 VanDerWaalsContact CE2-CG 3.47Å; F70-E126 WeakPolarHBondContact CE2-OE1 3.43Å; F70-E126 HydrophobicContact CZ-CB 3.77Å; F70-E126 HydrophobicContact CZ-CG 3.39Å; F70-E126 WeakPolarHBondContact CZ-OE1 3.32Å; F70-E126 PolarHBondContact N-O 2.99Å; F70-E126 PolarHBondContact O-N 2.92Å; R72-E126 IonicContact CZ-OE1 3.62Å; R72-E126 IonicContact CZ-OE2 3.63Å; R72-E126 IonicContact NH1-OE1 3.81Å; R72-E126 PolarHBondContact NH1-OE1 3.42Å; R72-E126 IonicContact NH1-OE2 2.93Å; R72-E126 PolarHBondContact NH1-OE2 3.15Å; R72-E126 IonicContact NH2-OE1 3.91Å; E126-P135 VanDerWaalsContact CD-CG 3.48Å; E126-P135 HydrophobicContact CG-CB 3.61Å; E126-P135 HydrophobicContact CG-CG 3.69Å; E126-P135 WeakPolarHBondContact OE1-CG 3.26Å; E126-A136 WeakPolarHBondContact CA-O 3.3Å; E126-R137 HydrophobicContact CB-CG 3.91Å; E126-R137 HydrophobicContact CG-CG 3.61Å; E126-R137 WeakPolarHBondContact OE2-CD 3.39Å
127C84.9Confident83.1Confident0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-107.7109173.8-177.50000109.2V22 V60 R68 P135 A136V22-C127 HydrophobicContact CG2-CB 3.82Å; V60-C127 HydrophobicContact CG1-CB 4.22Å; V60-C127 HydrophobicContact CG2-CB 4.08Å; R68-C127 WeakPolarHBondContact O-CA 3.3Å; C127-P135 WeakPolarHBondContact O-CB 3.44Å; C127-A136 HydrophobicContact CB-CB 4.5Å; C127-A136 PolarHBondContact N-O 3.11Å; C127-A136 PolarHBondContact O-N 2.9Å
128Q80.4Confident82.8Confident72 Ų7248.4 Ų48.434%0.33628%0.275SS..EExtended strand (participates in β ladder)trans-98.7129.3177.3-176.668.856.700109.8A67 R68 F70 S132 P135A67-Q128 CarbonylContact C-O 3.59Å; A67-Q128 VanDerWaalsContact CA-O 3.31Å; A67-Q128 WeakPolarHBondContact CA-O 3.49Å; R68-Q128 PolarHBondContact N-O 2.72Å; R68-Q128 PolarHBondContact O-N 3.49Å; F70-Q128 HydrophobicContact CE1-CB 3.66Å; F70-Q128 HydrophobicContact CZ-CB 4.21Å; Q128-S132 PolarHBondContact NE2-OG 2.97Å; Q128-P135 HydrophobicContact CB-CB 4.47Å
129Y78.8Confident82.7Confident38 Ų3848.2 Ų48.215%0.14927%0.266CS..  trans-135.6156178.261.8-86.4000112.2P20 P64 G131 S132P20-Y129 HydrophobicContact CG-CD1 3.8Å; P20-Y129 HydrophobicContact CG-CE1 3.54Å; P64-Y129 HydrophobicContact CG-CD2 4.19Å; P64-Y129 HydrophobicContact CG-CG 4.03Å; Y129-G131 PolarHBondContact O-N 2.73Å; Y129-S132 VanDerWaalsContact CZ-CB 3.41Å; Y129-S132 PolarHBondContact N-OG 2.9Å; Y129-S132 PolarHBondContact O-N 2.99Å; Y129-S132 PolarHBondContact O-OG 2.91Å
130T71.2Confident82.4Confident132 Ų13247.8 Ų47.881%0.8126%0.264SS*.THydrogen-bonded Turntrans-61.9125.8-177.9-480000110.5
131G69.5Low82.2Confident79 Ų7948.2 Ų48.281%0.81427%0.267SS*.THydrogen-bonded Turntrans89.2-4.8-178.800000115.4Y129Y129-G131 PolarHBondContact O-N 2.73Å
132S65.8Low82.1Confident20 Ų2048.2 Ų48.214%0.1427%0.267CS..  trans-73.7127.1170.757.30000111.6Q128 Y129Q128-S132 PolarHBondContact NE2-OG 2.97Å; Y129-S132 VanDerWaalsContact CZ-CB 3.41Å; Y129-S132 PolarHBondContact N-OG 2.9Å; Y129-S132 PolarHBondContact O-N 2.99Å; Y129-S132 PolarHBondContact O-OG 2.91Å
133V69.2Low82.1Confident145 Ų14550.7 Ų50.788%0.87927%0.274SS*.SBendtrans-74.6-43.7169.2179.70000109.8
134E72.4Confident82.1Confident136 Ų13650.7 Ų50.764%0.63627%0.274SS*.SBendtrans-121.2131171.8-67.5-162.8-173.900110.4R137E134-R137 IonicContact OE2-NH2 3.26Å; E134-R137 PolarHBondContact OE2-NH2 2.7Å
135P79.5Confident82.3Confident14 Ų1451.9 Ų51.99%0.09128%0.279CS..  trans-72.9149.6176.528.2-30.4000110.7E126 C127 Q128 R137E126-P135 VanDerWaalsContact CD-CG 3.48Å; E126-P135 HydrophobicContact CG-CB 3.61Å; E126-P135 HydrophobicContact CG-CG 3.69Å; E126-P135 WeakPolarHBondContact OE1-CG 3.26Å; C127-P135 WeakPolarHBondContact O-CB 3.44Å; Q128-P135 HydrophobicContact CB-CB 4.47Å; P135-R137 HydrophobicContact CG-CG 4.44Å; P135-R137 PolarHBondContact O-N 3.16Å
136A77.8Confident82.6Confident22 Ų2252.7 Ų52.718%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-70.6126.2175.100000108.9P20 V22 E126 C127P20-A136 HydrophobicContact CG-CB 4.36Å; V22-A136 HydrophobicContact CG2-CB 3.58Å; E126-A136 WeakPolarHBondContact CA-O 3.3Å; C127-A136 HydrophobicContact CB-CB 4.5Å; C127-A136 PolarHBondContact N-O 3.11Å; C127-A136 PolarHBondContact O-N 2.9Å
137R85.5Confident83Confident122 Ų12258 Ų5846%0.4631%0.308SS..EExtended strand (participates in β ladder)trans-134.2142.5-172.4-70.5175.9-62.5-129-2.7111.3T124 C125 E126 E134 P135T124-R137 HydrophobicContact CG2-CB 4.12Å; T124-R137 HydrophobicContact CG2-CG 4.22Å; C125-R137 WeakPolarHBondContact O-CA 3.39Å; E126-R137 HydrophobicContact CB-CG 3.91Å; E126-R137 HydrophobicContact CG-CG 3.61Å; E126-R137 WeakPolarHBondContact OE2-CD 3.39Å; E134-R137 IonicContact OE2-NH2 3.26Å; E134-R137 PolarHBondContact OE2-NH2 2.7Å; P135-R137 HydrophobicContact CG-CG 4.44Å; P135-R137 PolarHBondContact O-N 3.16Å
138V85Confident83.6Confident17 Ų1758.4 Ų58.410%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-142.4147.2167.657.70000107.5V22 I24 T124 C125V22-V138 HydrophobicContact CB-CG1 3.84Å; V22-V138 HydrophobicContact CG1-CG1 3.43Å; V22-V138 VanDerWaalsContact CG1-CG1 3.43Å; I24-V138 HydrophobicContact CD1-CB 4.41Å; I24-V138 HydrophobicContact CD1-CG1 3.7Å; I24-V138 HydrophobicContact CD1-CG2 4.27Å; I24-V138 WeakPolarHBondContact CD1-O 3.37Å; I24-V138 HydrophobicContact CG1-CG1 3.6Å; I24-V138 HydrophobicContact CG1-CG2 4.42Å; T124-V138 CarbonylContact C-O 3.51Å; T124-V138 WeakPolarHBondContact CA-O 3.24Å; C125-V138 HydrophobicContact CB-CG1 4.3Å; C125-V138 PolarHBondContact N-O 2.84Å; C125-V138 PolarHBondContact O-N 3.37Å; C125-V138 VanDerWaalsContact O-N 3.07Å
139H87.3Confident84.4Confident73 Ų7359.1 Ų59.134%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-135.1159-177.763.7-89.9000112.2K122 Y123 T124K122-H139 HydrophobicContact CD-CB 4.41Å; K122-H139 WeakPolarHBondContact CE-CD2 3.44Å; K122-H139 HydrophobicContact CG-CB 3.9Å; Y123-H139 CarbonylContact O-C 3.55Å; Y123-H139 WeakPolarHBondContact O-CA 3.49Å; Y123-H139 WeakPolarHBondContact O-CB 3.14Å; T124-H139 HydrophobicContact CG2-CB 4.33Å; T124-H139 WeakPolarHBondContact OG1-CB 3.38Å
140R86.1Confident85.3Confident11 Ų1157.9 Ų57.94%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-130.6149.2168.6-61.8-65.5179.2-102.52.3109.2I24 N41 T43 V44 I46 K122 Y123I24-R140 HydrophobicContact CB-CG 4.01Å; I24-R140 HydrophobicContact CD1-CG 4.07Å; I24-R140 HydrophobicContact CG2-CG 3.53Å; I24-R140 PolarHBondContact O-NH2 3.06Å; N41-R140 PolarHBondContact OD1-NH2 2.82Å; T43-R140 WeakPolarHBondContact O-CD 3.18Å; T43-R140 PolarHBondContact O-NE 3.24Å; V44-R140 CarbonylContact O-C 3.57Å; V44-R140 VanDerWaalsContact O-CA 3.3Å; V44-R140 WeakPolarHBondContact O-CA 3.27Å; I46-R140 HydrophobicContact CD1-CB 3.72Å; I46-R140 HydrophobicContact CD1-CG 4.01Å; I46-R140 HydrophobicContact CG1-CB 4.07Å; I46-R140 HydrophobicContact CG1-CG 4.4Å; K122-R140 CarbonylContact C-O 3.58Å; K122-R140 WeakPolarHBondContact CA-O 3.16Å; Y123-R140 PolarHBondContact N-O 2.84Å; Y123-R140 PolarHBondContact O-N 2.85Å
141I88.2Confident86.6Confident44 Ų4452.6 Ų52.623%0.22628%0.28CS..EExtended strand (participates in β ladder)trans-100.3116.5174.1-64173.6000106.8V44 L45 I46 L76 G121 R143V44-I141 HydrophobicContact CG1-CD1 4.1Å; V44-I141 HydrophobicContact CG1-CG1 4.23Å; V44-I141 PolarHBondContact O-N 3.13Å; L45-I141 CarbonylContact C-O 3.55Å; L45-I141 WeakPolarHBondContact CA-O 3.27Å; L45-I141 HydrophobicContact CD1-CB 4.12Å; L45-I141 HydrophobicContact CD1-CG2 3.91Å; L45-I141 WeakPolarHBondContact CD1-O 3.48Å; I46-I141 PolarHBondContact N-O 2.7Å; L76-I141 HydrophobicContact CD1-CG2 4.16Å; L76-I141 HydrophobicContact CD2-CG2 4.04Å; G121-I141 WeakPolarHBondContact O-CA 3.49Å; I141-R143 HydrophobicContact CG2-CG 4.35Å
142L90.8Very high87.9Confident0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-87.6120.7172.1179.259000108.8I46 V54 I112 L115 E120 G121 Y123 V144I46-L142 HydrophobicContact CB-CD1 4.04Å; I46-L142 HydrophobicContact CG2-CD1 3.65Å; I46-L142 WeakPolarHBondContact O-CA 3.4Å; V54-L142 HydrophobicContact CG1-CD1 4.47Å; I112-L142 HydrophobicContact CD1-CD2 3.98Å; L115-L142 HydrophobicContact CD2-CD2 3.88Å; E120-L142 WeakPolarHBondContact CA-O 3.33Å; G121-L142 PolarHBondContact N-O 3.12Å; G121-L142 PolarHBondContact O-N 3.03Å; Y123-L142 HydrophobicContact CD2-CB 3.89Å; Y123-L142 HydrophobicContact CD2-CD2 4.49Å; Y123-L142 HydrophobicContact CE2-CB 3.76Å; Y123-L142 HydrophobicContact CE2-CD2 3.79Å; Y123-L142 HydrophobicContact CE2-CG 4.42Å; L142-V144 HydrophobicContact CG-CG2 4.32Å
143R91Very high89.3Confident122 Ų12262.4 Ų62.446%0.4630%0.296SS..EExtended strand (participates in β ladder)trans-109.3138.2167.9-76-172.3-174.2175-2.7110L45 I46 N47 G48 I141 F145L45-R143 HydrophobicContact CD1-CB 4.26Å; L45-R143 HydrophobicContact CD1-CG 3.73Å; I46-R143 PolarHBondContact O-N 3.3Å; N47-R143 WeakPolarHBondContact CA-O 3.41Å; G48-R143 PolarHBondContact N-O 2.84Å; I141-R143 HydrophobicContact CG2-CG 4.35Å; R143-F145 HydrophobicContact CB-CE2 3.7Å; R143-F145 HydrophobicContact CB-CZ 4.05Å
144V93.4Very high90.6Very high0 Ų060.1 Ų60.10%028%0.277CS..EExtended strand (participates in β ladder)trans-114.9123.8-176.4-177.20000109.3G48 V50 L115 K117 E120 L142G48-V144 WeakPolarHBondContact O-CA 3.37Å; V50-V144 HydrophobicContact CG2-CG1 3.62Å; L115-V144 HydrophobicContact CB-CG1 4.39Å; L115-V144 HydrophobicContact CD1-CG2 4.46Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å; K117-V144 PolarHBondContact NZ-O 2.82Å; E120-V144 HydrophobicContact CG-CB 3.83Å; E120-V144 HydrophobicContact CG-CG2 3.76Å; E120-V144 PolarHBondContact OE1-N 2.93Å; L142-V144 HydrophobicContact CG-CG2 4.32Å
145F94.6Very high91.8Very high34 Ų3454 Ų5415%0.14925%0.25CC..EExtended strand (participates in β ladder)trans-114.3162.5-179.6-59.9-87000110.4N47 G48 L49 V50 R143 I176 M226N47-F145 HydrophobicContact CB-CD2 4.13Å; N47-F145 HydrophobicContact CB-CE2 3.81Å; N47-F145 WeakPolarHBondContact OD1-CE2 3.3Å; G48-F145 PolarHBondContact O-N 2.68Å; L49-F145 CarbonylContact C-O 3.6Å; L49-F145 VanDerWaalsContact CA-O 3.32Å; L49-F145 WeakPolarHBondContact CA-O 3.38Å; L49-F145 HydrophobicContact CD2-CB 4.08Å; V50-F145 WeakPolarHBondContact CG2-O 3.42Å; V50-F145 PolarHBondContact N-O 3.26Å; R143-F145 HydrophobicContact CB-CE2 3.7Å; R143-F145 HydrophobicContact CB-CZ 4.05Å; F145-I176 WeakPolarHBondContact CA-O 3.43Å; F145-I176 WeakPolarHBondContact CB-O 3.26Å; F145-M226 HydrophobicContact CB-CE 4.29Å; F145-M226 HydrophobicContact CB-CG 3.63Å; F145-M226 HydrophobicContact CB-SD 3.53Å; F145-M226 VanDerWaalsContact CB-SD 3.53Å; F145-M226 HydrophobicContact CD1-CE 3.93Å; F145-M226 HydrophobicContact CD1-SD 4.3Å; F145-M226 HydrophobicContact CD2-SD 4.43Å; F145-M226 HydrophobicContact CE1-CE 4.37Å; F145-M226 HydrophobicContact CG-CE 4Å; F145-M226 HydrophobicContact CG-CG 4.33Å; F145-M226 HydrophobicContact CG-SD 3.85Å
146A95.1Very high92.6Very high17 Ų1754.3 Ų54.314%0.1425%0.252CS..EExtended strand (participates in β ladder)trans-138.9133.4178.300000109.2V50 I176 N224V50-A146 HydrophobicContact CB-CB 4.31Å; V50-A146 HydrophobicContact CG2-CB 3.93Å; A146-I176 HydrophobicContact CB-CB 4.02Å; A146-I176 HydrophobicContact CB-CD1 4.36Å; A146-I176 HydrophobicContact CB-CG1 4Å; A146-I176 PolarHBondContact N-O 2.8Å; A146-I176 PolarHBondContact O-N 2.81Å; A146-I176 VanDerWaalsContact O-O 3.09Å; A146-N224 PolarHBondContact O-ND2 2.82Å
147K95.8Very high93.5Very high119 Ų11959.4 Ų59.452%0.51727%0.267SS..EExtended strand (participates in β ladder)trans-61.7151.8170.8-65.2-178.8179161.50109.4L49 N149 M226L49-K147 HydrophobicContact CD2-CG 4.47Å; K147-N149 PolarHBondContact O-N 2.93Å; K147-M226 HydrophobicContact CG-CB 4.08Å
148P98.1Very high94.1Very high10 Ų1057.8 Ų57.87%0.06527%0.268CS..EExtended strand (participates in β ladder)trans-60.3137.7174.9-21.635.9000109.6D174 P179 A222 N224 G227 A229P148-D174 CarbonylContact C-O 3.55Å; P148-D174 WeakPolarHBondContact CA-O 3.17Å; P148-P179 HydrophobicContact CB-CB 3.95Å; P148-P179 HydrophobicContact CB-CG 4.4Å; P148-P179 HydrophobicContact CG-CB 4.09Å; P148-A222 HydrophobicContact CB-CB 4.1Å; P148-A222 WeakPolarHBondContact CB-O 3.34Å; P148-N224 VanDerWaalsContact CD-OD1 3.23Å; P148-N224 WeakPolarHBondContact CD-OD1 3.31Å; P148-N224 HydrophobicContact CG-CB 4.15Å; P148-N224 WeakPolarHBondContact CG-OD1 3.05Å; P148-G227 WeakPolarHBondContact CD-O 3.39Å; P148-G227 VanDerWaalsContact CG-O 3.3Å; P148-G227 WeakPolarHBondContact CG-O 3.44Å; P148-A229 HydrophobicContact CB-CB 4.13Å; P148-A229 WeakPolarHBondContact O-CB 3.44Å
149N97Very high94.6Very high87 Ų8758.7 Ų58.747%0.46527%0.274SS..EExtended strand (participates in β ladder)trans-131.7134173.3162.268.7000109.2K147 V151 A173 D174K147-N149 PolarHBondContact O-N 2.93Å; N149-V151 PolarHBondContact O-N 2.82Å; N149-A173 CarbonylContact O-C 3.56Å; N149-A173 WeakPolarHBondContact O-CA 3Å; N149-A173 WeakPolarHBondContact O-CB 3.48Å; N149-D174 WeakPolarHBondContact CB-OD1 3.41Å; N149-D174 PolarHBondContact N-O 2.85Å; N149-D174 PolarHBondContact ND2-OD1 3.38Å; N149-D174 PolarHBondContact O-N 2.94Å
150I98.1Very high95Very high12 Ų1259 Ų596%0.06228%0.278CS..EExtended strand (participates in β ladder)trans-81123.2-177.9-58.4-61.1000108.7R152 A173 A222 A229 W231I150-R152 PolarHBondContact O-N 2.71Å; I150-A173 HydrophobicContact CD1-CB 3.9Å; I150-A222 HydrophobicContact CD1-CB 3.73Å; I150-A229 HydrophobicContact CD1-CB 4.1Å; I150-A229 HydrophobicContact CG1-CB 3.89Å; I150-W231 HydrophobicContact CB-CE3 4.36Å; I150-W231 HydrophobicContact CD1-CB 4.33Å; I150-W231 HydrophobicContact CG1-CB 4.12Å; I150-W231 HydrophobicContact CG2-CB 3.96Å; I150-W231 HydrophobicContact CG2-CD2 3.84Å; I150-W231 HydrophobicContact CG2-CE3 3.9Å; I150-W231 HydrophobicContact CG2-CG 3.88Å
151V97.9Very high95.6Very high20 Ų2059.3 Ų59.312%0.12128%0.281CS..  trans-81.389.4175.2-167.60000109.1N149 H153 M154 S155 N172 D174N149-V151 PolarHBondContact O-N 2.82Å; V151-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V151-H153 PolarHBondContact O-N 3.36Å; V151-M154 HydrophobicContact CB-CE 3.79Å; V151-M154 HydrophobicContact CG1-CB 4.29Å; V151-M154 HydrophobicContact CG1-CE 3.37Å; V151-M154 HydrophobicContact CG1-CG 4.13Å; V151-M154 HydrophobicContact CG2-CE 4.11Å; V151-M154 CarbonylContact O-C 3.59Å; V151-M154 PolarHBondContact O-N 2.9Å; V151-S155 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-OG 2.87Å; V151-N172 PolarHBondContact N-O 3.03Å; V151-D174 HydrophobicContact CG2-CB 4.36Å
152R97.2Very high96Very high150 Ų15059.3 Ų59.357%0.56628%0.281SS*.G310 helixtrans-56.5-44.8-168.2-58.8-177177.2-123.9-2.5114I150 M154 S155 Y157 W231I150-R152 PolarHBondContact O-N 2.71Å; R152-M154 PolarHBondContact O-N 2.67Å; R152-S155 PolarHBondContact O-N 2.74Å; R152-Y157 WeakPolarHBondContact O-CE2 3.45Å; R152-W231 HydrophobicContact CB-CH2 4.11Å; R152-W231 HydrophobicContact CB-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CH2 3.72Å; R152-W231 HydrophobicContact CG-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CZ3 3.8Å
153H95.7Very high96.3Very high156 Ų15662 Ų6272%0.72230%0.3SS*.G310 helixtrans-69.1-14.4-178.767.6-89.4000113.7V151V151-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V151-H153 PolarHBondContact O-N 3.36Å
154M96.6Very high96.5Very high96 Ų9657.9 Ų57.947%0.47330%0.296SS..G310 helixtrans-105.37.9173.2-62.5-163-77.800112.5V151 R152 N172V151-M154 HydrophobicContact CB-CE 3.79Å; V151-M154 HydrophobicContact CG1-CB 4.29Å; V151-M154 HydrophobicContact CG1-CE 3.37Å; V151-M154 HydrophobicContact CG1-CG 4.13Å; V151-M154 HydrophobicContact CG2-CE 4.11Å; V151-M154 CarbonylContact O-C 3.59Å; V151-M154 PolarHBondContact O-N 2.9Å; R152-M154 PolarHBondContact O-N 2.67Å; M154-N172 HydrophobicContact CB-CB 4.02Å; M154-N172 PolarHBondContact O-ND2 2.93Å
155S97.3Very high96.7Very high9 Ų961.7 Ų61.76%0.06332%0.316CS..SBendtrans-114.6147.9-179.9-57.40000109.7V151 R152 Y157 H170 N172V151-S155 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-OG 2.87Å; R152-S155 PolarHBondContact O-N 2.74Å; S155-Y157 WeakPolarHBondContact O-CD2 3.47Å; S155-H170 CarbonylContact C-O 3.41Å; S155-H170 WeakPolarHBondContact CA-O 3.41Å; S155-N172 PolarHBondContact OG-N 3.14Å; S155-N172 VanDerWaalsContact OG-N 3.11Å
156S97.3Very high96.8Very high19 Ų1964.3 Ų64.313%0.13334%0.336CS..  trans-68.1144.3177.9-66.70000110.5L169 H170 W231 V233S156-L169 WeakPolarHBondContact OG-CA 3.3Å; S156-H170 PolarHBondContact N-O 3.35Å; S156-H170 PolarHBondContact OG-N 2.81Å; S156-W231 PolarHBondContact O-NE1 3.27Å; S156-V233 WeakPolarHBondContact O-CG2 3.34Å
157Y96.7Very high96.9Very high129 Ų12964.2 Ų64.251%0.50633%0.334SS..  trans-100.8-177.5168.4-70.5-98.8000109.2R152 S155 T159 W231 V233R152-Y157 WeakPolarHBondContact O-CE2 3.45Å; S155-Y157 WeakPolarHBondContact O-CD2 3.47Å; Y157-T159 PolarHBondContact O-N 2.91Å; Y157-T159 PolarHBondContact O-OG1 2.89Å; Y157-W231 HydrophobicContact CD1-CZ2 4.01Å; Y157-W231 HydrophobicContact CE1-CH2 4.04Å; Y157-W231 AromaticContact CE1-CZ2 3.67Å; Y157-W231 HydrophobicContact CE1-CZ2 3.67Å; Y157-W231 AromaticContact CZ-CZ2 3.95Å; Y157-V233 VanDerWaalsContact O-CG1 3.3Å; Y157-V233 WeakPolarHBondContact O-CG1 3.42Å
158D96.8Very high97Very high88 Ų8860.5 Ų60.547%0.47132%0.323SS..SBendtrans-49.7125.5173.5-70.20.9000109.9R232 R234D158-R232 IonicContact OD1-CZ 3.23Å; D158-R232 IonicContact OD1-NH1 3.57Å; D158-R232 IonicContact OD1-NH2 3.64Å; D158-R232 PolarHBondContact OD1-NH2 2.92Å; D158-R232 IonicContact OD2-CZ 3.34Å; D158-R232 IonicContact OD2-NH1 2.72Å; D158-R232 IonicContact OD2-NH2 3.11Å; D158-R232 PolarHBondContact OD2-NH2 3.18Å; D158-R234 CarbonylContact C-O 3.54Å; D158-R234 VanDerWaalsContact CA-O 3.3Å; D158-R234 WeakPolarHBondContact CA-O 3.47Å; D158-R234 HydrophobicContact CB-CB 4.36Å; D158-R234 PolarHBondContact OD1-N 2.84Å
159T96.4Very high96.9Very high37 Ų3760 Ų6023%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-122.2133.5-167.6-59.70000109Y157 V167 R234 L235 Q236Y157-T159 PolarHBondContact O-N 2.91Å; Y157-T159 PolarHBondContact O-OG1 2.89Å; T159-V167 HydrophobicContact CG2-CG2 3.9Å; T159-R234 PolarHBondContact N-O 2.82Å; T159-L235 HydrophobicContact CG2-CD1 4.23Å; T159-Q236 PolarHBondContact O-N 3.07Å
160D96.1Very high97Very high80 Ų8059.4 Ų59.443%0.42831%0.314SS..EExtended strand (participates in β ladder)trans-114.5129.4174.5-171.316.1000108.8Q236 R238D160-Q236 WeakPolarHBondContact CA-O 3.43Å; D160-Q236 HydrophobicContact CB-CB 4.45Å; D160-R238 WeakPolarHBondContact OD1-CG 3.42Å; D160-R238 WeakPolarHBondContact OD2-CD 3.42Å; D160-R238 IonicContact OD2-NH1 3.72Å
161V97.5Very high97Very high16 Ų1658.9 Ų58.910%0.09731%0.312CS..EExtended strand (participates in β ladder)trans-147.4147.7-172.262.10000110.7D165 V167 V210 L235 Q236 V237 R238V161-D165 HydrophobicContact CG2-CB 3.67Å; V161-V167 HydrophobicContact CG1-CB 4.5Å; V161-V167 HydrophobicContact CG1-CG1 4.37Å; V161-V167 HydrophobicContact CG2-CB 4.38Å; V161-V210 HydrophobicContact CG1-CB 4.45Å; V161-V210 HydrophobicContact CG1-CG1 3.79Å; V161-V210 HydrophobicContact CG1-CG2 4.26Å; V161-V210 HydrophobicContact CG2-CG1 4.08Å; V161-L235 HydrophobicContact CG1-CD1 3.69Å; V161-Q236 PolarHBondContact N-O 3.15Å; V161-V237 HydrophobicContact CG1-CG2 4.35Å; V161-V237 CarbonylContact O-C 3.16Å; V161-V237 VanDerWaalsContact O-CA 3.3Å; V161-V237 WeakPolarHBondContact O-CA 3.2Å; V161-R238 PolarHBondContact O-N 2.79Å
162D97.3Very high97Very high44 Ų4459.8 Ų59.824%0.23532%0.316CS..EExtended strand (participates in β ladder)trans-80.7143.6175.9-70.1-29.3000111.3G164 D165 V210 R238D162-G164 PolarHBondContact O-N 3.33Å; D162-D165 WeakPolarHBondContact O-CB 3.23Å; D162-D165 PolarHBondContact O-N 3.32Å; D162-D165 VanDerWaalsContact O-N 3.09Å; D162-V210 WeakPolarHBondContact O-CG1 3.49Å; D162-R238 CarbonylContact C-O 3.59Å; D162-R238 WeakPolarHBondContact OD1-CB 3.45Å; D162-R238 IonicContact OD1-CZ 3.15Å; D162-R238 IonicContact OD1-NE 3.47Å; D162-R238 PolarHBondContact OD1-NE 3.04Å; D162-R238 IonicContact OD1-NH2 2.81Å; D162-R238 PolarHBondContact OD1-NH2 3.48Å; D162-R238 IonicContact OD2-CZ 3.93Å; D162-R238 IonicContact OD2-NH2 2.88Å; D162-R238 PolarHBondContact OD2-NH2 3.35Å
163S96.6Very high97Very high56 Ų5653.8 Ų53.839%0.39230%0.298SS..THydrogen-bonded Turntrans-59132.7176.8-170.70000110.6V210 R238S163-V210 CarbonylContact C-O 3.52Å; S163-V210 WeakPolarHBondContact CA-O 3.35Å; S163-V210 PolarHBondContact OG-O 2.94Å; S163-R238 WeakPolarHBondContact CB-O 3.17Å; S163-R238 PolarHBondContact N-O 2.96Å
164G95.8Very high97.1Very high37 Ų3750.2 Ų50.238%0.38128%0.284SS..THydrogen-bonded Turntrans97-18.8-174.900000113.8D162 V210D162-G164 PolarHBondContact O-N 3.33Å; G164-V210 PolarHBondContact N-O 3.01Å
165D97.6Very high97.1Very high79 Ų7946.4 Ų46.442%0.42227%0.27SS..SBendtrans-78.6152.2178.7-73.5-12.1000112.2V161 D162 V210V161-D165 HydrophobicContact CG2-CB 3.67Å; D162-D165 WeakPolarHBondContact O-CB 3.23Å; D162-D165 PolarHBondContact O-N 3.32Å; D162-D165 VanDerWaalsContact O-N 3.09Å; D165-V210 WeakPolarHBondContact O-CG1 3.19Å; D165-V210 PolarHBondContact O-N 2.92Å
166P97.2Very high97Very high89 Ų8948.2 Ų48.258%0.57828%0.278SS*.  trans-76.7141172.231.3-34.1000111.2F207 D208P166-F207 CarbonylContact C-O 3.55Å; P166-F207 VanDerWaalsContact CA-O 3.26Å; P166-F207 WeakPolarHBondContact CA-O 3.5Å; P166-D208 WeakPolarHBondContact CA-O 3.48Å; P166-D208 WeakPolarHBondContact CB-O 3.3Å
167V96.9Very high96.9Very high15 Ų1549.7 Ų49.79%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-141.9140.3174.263.80000111.3T159 V161 L169 F207 V210 L235T159-V167 HydrophobicContact CG2-CG2 3.9Å; V161-V167 HydrophobicContact CG1-CB 4.5Å; V161-V167 HydrophobicContact CG1-CG1 4.37Å; V161-V167 HydrophobicContact CG2-CB 4.38Å; V167-L169 HydrophobicContact CG2-CD2 4.1Å; V167-F207 HydrophobicContact CG1-CB 3.91Å; V167-F207 HydrophobicContact CG1-CD2 3.81Å; V167-F207 HydrophobicContact CG1-CG 4.22Å; V167-F207 PolarHBondContact N-O 2.8Å; V167-F207 PolarHBondContact O-N 2.01Å; V167-V210 HydrophobicContact CG1-CB 4.18Å; V167-V210 HydrophobicContact CG1-CG2 4.22Å; V167-L235 HydrophobicContact CG1-CD1 4.31Å; V167-L235 HydrophobicContact CG1-CD2 4.4Å; V167-L235 HydrophobicContact CG2-CD1 4.3Å
168S96.8Very high96.9Very high42 Ų4249 Ų4929%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-120.5127.1173.8-59.20000109.7H170 I205S168-H170 WeakPolarHBondContact CB-NE2 3.49Å; S168-I205 CarbonylContact C-O 3.53Å; S168-I205 WeakPolarHBondContact CA-O 3.35Å
169L97.1Very high97Very high0 Ų045.8 Ų45.80%028%0.283CS..EExtended strand (participates in β ladder)trans-101.7124.2170.9-41.7176.2000108.9S156 V167 W183 V204 I205 F207 Y218 V233S156-L169 WeakPolarHBondContact OG-CA 3.3Å; V167-L169 HydrophobicContact CG2-CD2 4.1Å; L169-W183 HydrophobicContact CB-CH2 4.02Å; L169-W183 HydrophobicContact CB-CZ2 4.3Å; L169-V204 WeakPolarHBondContact O-CA 3.07Å; L169-I205 HydrophobicContact CB-CG2 3.54Å; L169-I205 HydrophobicContact CD1-CG2 3.96Å; L169-I205 HydrophobicContact CG-CG2 3.91Å; L169-I205 PolarHBondContact N-O 3.1Å; L169-I205 PolarHBondContact O-N 3.11Å; L169-F207 HydrophobicContact CD1-CE2 4.44Å; L169-Y218 HydrophobicContact CD1-CD2 3.95Å; L169-Y218 HydrophobicContact CD1-CG 3.94Å; L169-V233 HydrophobicContact CD1-CG1 4.14Å; L169-V233 HydrophobicContact CD2-CG1 4.08Å
170H98Very high97.1Very high74 Ų7449.7 Ų49.734%0.34330%0.297SS..EExtended strand (participates in β ladder)trans-106.1143.2-176.3-63.4-97.7000110.5S155 S156 S168 N203 V204S155-H170 CarbonylContact C-O 3.41Å; S155-H170 WeakPolarHBondContact CA-O 3.41Å; S156-H170 PolarHBondContact N-O 3.35Å; S156-H170 PolarHBondContact OG-N 2.81Å; S168-H170 WeakPolarHBondContact CB-NE2 3.49Å; H170-N203 CarbonylContact C-O 3.52Å; H170-N203 WeakPolarHBondContact CA-O 3.4Å; H170-V204 WeakPolarHBondContact ND1-CG2 3.46Å
171C98.1Very high97.2Very high0 Ų046.9 Ų46.90%028%0.282CS..  trans-145.2112.7172.2176.80000108.6I181 W183 N203 C220C171-I181 HydrophobicContact CB-CG2 4.47Å; C171-I181 WeakPolarHBondContact O-CD1 2.91Å; C171-W183 HydrophobicContact CB-CH2 3.73Å; C171-W183 HydrophobicContact CB-CZ2 3.2Å; C171-N203 PolarHBondContact N-O 2.83Å; C171-N203 WeakPolarHBondContact O-CA 3.45Å; C171-N203 WeakPolarHBondContact O-CB 3.4Å; C171-C220 HydrophobicContact CB-CB 3.49Å; C171-C220 VanDerWaalsContact CB-CB 3.49Å; C171-C220 WeakPolarHBondContact CB-SG 3.42Å; C171-C220 WeakPolarHBondContact SG-CB 3.5Å; C171-C220 CovalentContact SG-SG 2.01Å; C171-C220 PolarHBondContact SG-SG 3.03Å
172N98Very high97.1Very high40 Ų4047.4 Ų47.421%0.21428%0.282CS..  trans-115.2138.8180-70.4-51.9000109V151 M154 S155 N203V151-N172 PolarHBondContact N-O 3.03Å; M154-N172 HydrophobicContact CB-CB 4.02Å; M154-N172 PolarHBondContact O-ND2 2.93Å; S155-N172 PolarHBondContact OG-N 3.14Å; S155-N172 VanDerWaalsContact OG-N 3.11Å; N172-N203 PolarHBondContact OD1-ND2 2.77Å
173A98Very high97Very high23 Ų2345.3 Ų45.319%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-140.6141.5-177.900000110.7N149 I150 P179 I181 A222N149-A173 CarbonylContact O-C 3.56Å; N149-A173 WeakPolarHBondContact O-CA 3Å; N149-A173 WeakPolarHBondContact O-CB 3.48Å; I150-A173 HydrophobicContact CD1-CB 3.9Å; A173-P179 HydrophobicContact CB-CG 3.79Å; A173-I181 HydrophobicContact CB-CD1 4.01Å; A173-A222 HydrophobicContact CB-CB 3.39Å
174D97.1Very high96.9Very high81 Ų8147.8 Ų47.843%0.43327%0.272SS..EExtended strand (participates in β ladder)trans-100.7162.7169.459.5-9.2000110.6P148 N149 V151P148-D174 CarbonylContact C-O 3.55Å; P148-D174 WeakPolarHBondContact CA-O 3.17Å; N149-D174 WeakPolarHBondContact CB-OD1 3.41Å; N149-D174 PolarHBondContact N-O 2.85Å; N149-D174 PolarHBondContact ND2-OD1 3.38Å; N149-D174 PolarHBondContact O-N 2.94Å; V151-D174 HydrophobicContact CG2-CB 4.36Å
175G96.5Very high96.6Very high16 Ų1647.8 Ų47.817%0.16526%0.26CS..EExtended strand (participates in β ladder)trans162.6160.3-177.900000111.9P177G175-P177 CarbonylContact C-O 3.59Å; G175-P177 CarbonylContact O-C 3.54Å
176I95.3Very high95.8Very high48 Ų4846.4 Ų46.425%0.24625%0.254CS..EExtended strand (participates in β ladder)trans-132.8109.8178.5-53.2176.7000108K117 F145 A146K117-I176 HydrophobicContact CD-CD1 3.88Å; K117-I176 HydrophobicContact CG-CD1 4.33Å; F145-I176 WeakPolarHBondContact CA-O 3.43Å; F145-I176 WeakPolarHBondContact CB-O 3.26Å; A146-I176 HydrophobicContact CB-CB 4.02Å; A146-I176 HydrophobicContact CB-CD1 4.36Å; A146-I176 HydrophobicContact CB-CG1 4Å; A146-I176 PolarHBondContact N-O 2.8Å; A146-I176 PolarHBondContact O-N 2.81Å; A146-I176 VanDerWaalsContact O-O 3.09Å
177P95.9Very high93.9Very high49 Ų4947.3 Ų47.332%0.31827%0.269SS..SBendcis-65.4163.60.4-18.634000113.2G175 N224 S225G175-P177 CarbonylContact C-O 3.59Å; G175-P177 CarbonylContact O-C 3.54Å; P177-N224 WeakPolarHBondContact O-CB 3.42Å; P177-N224 PolarHBondContact O-ND2 2.8Å; P177-S225 WeakPolarHBondContact CD-OG 3.32Å
178P96.9Very high92Very high115 Ų11549.2 Ų49.275%0.74729%0.292SS*.PPolyproline II helixtrans-51.3130175.7-27.535.5000111.5
179P98.1Very high90.1Very high21 Ų2153 Ų5314%0.13633%0.326CS..PPolyproline II helixtrans-72.9141.2-176.328.6-33.6000112P148 A173 A222 E223 N224P148-P179 HydrophobicContact CB-CB 3.95Å; P148-P179 HydrophobicContact CB-CG 4.4Å; P148-P179 HydrophobicContact CG-CB 4.09Å; A173-P179 HydrophobicContact CB-CG 3.79Å; P179-A222 HydrophobicContact CB-CB 4.09Å; P179-A222 HydrophobicContact CG-CB 4.45Å; P179-E223 CarbonylContact C-O 3.53Å; P179-E223 VanDerWaalsContact CA-O 3.32Å; P179-E223 WeakPolarHBondContact CA-O 3.14Å; P179-N224 HydrophobicContact CB-CB 4.5Å
180F97.9Very high88.4Confident118 Ų11855 Ų5552%0.51834%0.34SS..EExtended strand (participates in β ladder)trans-76.9126.5165.8178.9-109.3000109.4Y182 E223F180-Y182 AromaticContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CE1 4.2Å; F180-Y182 AromaticContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CE1 4.42Å; F180-Y182 HydrophobicContact CE1-CG 4.26Å; F180-E223 PolarHBondContact N-O 3.4Å; F180-E223 PolarHBondContact O-N 2.71Å
181I98Very high87.3Confident22 Ų2255.3 Ų55.311%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-108.5131.6-176-56.3178.8000110.9C171 A173 G202 N203 C220 Y221 A222C171-I181 HydrophobicContact CB-CG2 4.47Å; C171-I181 WeakPolarHBondContact O-CD1 2.91Å; A173-I181 HydrophobicContact CB-CD1 4.01Å; I181-G202 PolarHBondContact O-N 3.5Å; I181-N203 HydrophobicContact CD1-CB 4.29Å; I181-C220 WeakPolarHBondContact CG2-SG 3.42Å; I181-Y221 CarbonylContact C-O 3.49Å; I181-Y221 VanDerWaalsContact CA-O 3.26Å; I181-Y221 WeakPolarHBondContact CA-O 3.34Å; I181-A222 HydrophobicContact CG1-CB 4.23Å
182Y96.3Very high86.7Confident26 Ų2659.6 Ų59.610%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-147.8155.6174.161.8-86.2000112.4F180 R184 V199 K200 C220 Y221 E223F180-Y182 AromaticContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CD1 3.64Å; F180-Y182 HydrophobicContact CD1-CE1 4.2Å; F180-Y182 AromaticContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CD1 3.64Å; F180-Y182 HydrophobicContact CE1-CE1 4.42Å; F180-Y182 HydrophobicContact CE1-CG 4.26Å; Y182-R184 HydrophobicContact CD2-CG 4.27Å; Y182-R184 HydrophobicContact CE2-CG 4.42Å; Y182-V199 HydrophobicContact CD2-CG1 3.91Å; Y182-V199 HydrophobicContact CG-CG1 4.26Å; Y182-K200 CarbonylContact C-O 3.51Å; Y182-K200 VanDerWaalsContact CA-O 3.3Å; Y182-K200 WeakPolarHBondContact CA-O 3.3Å; Y182-C220 CarbonylContact O-C 3.53Å; Y182-Y221 AromaticContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CG 4.03Å; Y182-Y221 HydrophobicContact CE1-CG 4.36Å; Y182-Y221 AromaticContact CE2-CD1 3.98Å; Y182-Y221 HydrophobicContact CE2-CD1 3.98Å; Y182-Y221 AromaticContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CE2 4.34Å; Y182-Y221 AromaticContact CE2-CG 3.36Å; Y182-Y221 HydrophobicContact CE2-CG 3.36Å; Y182-Y221 AromaticContact CZ-CD1 3.95Å; Y182-Y221 AromaticContact CZ-CG 3.57Å; Y182-Y221 PolarHBondContact N-O 2.83Å; Y182-Y221 PolarHBondContact O-N 2.98Å; Y182-E223 HydrophobicContact CE1-CB 4.49Å; Y182-E223 PolarHBondContact OH-OE2 2.99Å; Y182-E223 VanDerWaalsContact OH-OE2 3.1Å
183W95.7Very high86Confident0 Ų057.7 Ų57.70%036%0.362CS..EExtended strand (participates in β ladder)trans-111.9146.9-179.5-66.387000111.8L169 C171 I193 V199 K200 G202 N203 I205 M219 C220 V233L169-W183 HydrophobicContact CB-CH2 4.02Å; L169-W183 HydrophobicContact CB-CZ2 4.3Å; C171-W183 HydrophobicContact CB-CH2 3.73Å; C171-W183 HydrophobicContact CB-CZ2 3.2Å; W183-I193 HydrophobicContact CB-CD1 4.23Å; W183-V199 WeakPolarHBondContact O-CA 3.23Å; W183-K200 HydrophobicContact CB-CB 4.26Å; W183-K200 PolarHBondContact N-O 3.28Å; W183-K200 PolarHBondContact O-N 3.44Å; W183-G202 VanDerWaalsContact CD1-O 3.23Å; W183-G202 PolarHBondContact NE1-O 3.47Å; W183-N203 PolarHBondContact NE1-O 3.31Å; W183-I205 HydrophobicContact CD2-CG2 4.19Å; W183-I205 HydrophobicContact CG-CG2 4.41Å; W183-M219 CarbonylContact C-O 3.48Å; W183-M219 WeakPolarHBondContact CA-O 3.08Å; W183-C220 HydrophobicContact CD2-CB 3.88Å; W183-C220 HydrophobicContact CE3-CB 3.69Å; W183-C220 HydrophobicContact CH2-CB 3.81Å; W183-C220 HydrophobicContact CZ2-CB 3.99Å; W183-C220 HydrophobicContact CZ3-CB 3.65Å; W183-V233 HydrophobicContact CH2-CG2 4.08Å; W183-V233 HydrophobicContact CZ3-CB 4.44Å; W183-V233 HydrophobicContact CZ3-CG2 4.12Å
184R92.9Very high85.4Confident109 Ų10959.8 Ų59.841%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-136.6155.2169-59.1-173.1175.7179.40.6109.7Y182 V199 Y218 M219 Y221Y182-R184 HydrophobicContact CD2-CG 4.27Å; Y182-R184 HydrophobicContact CE2-CG 4.42Å; R184-V199 HydrophobicContact CG-CG2 4.19Å; R184-Y218 CarbonylContact O-C 3.59Å; R184-Y218 WeakPolarHBondContact O-CA 3.36Å; R184-M219 PolarHBondContact N-O 2.84Å; R184-M219 PolarHBondContact O-N 2.84Å; R184-Y221 HydrophobicContact CB-CE2 3.95Å; R184-Y221 HydrophobicContact CG-CD2 4.28Å; R184-Y221 HydrophobicContact CG-CE2 3.9Å
185R90.9Very high84.8Confident37 Ų3762.6 Ų62.614%0.1438%0.38CS..EExtended strand (participates in β ladder)trans-91.4124.3169.4-164.2171.4178.4-177.80.1109S190 I193 D213 A215 E217 Y218R185-S190 WeakPolarHBondContact CD-O 3.21Å; R185-I193 HydrophobicContact CB-CG1 4.17Å; R185-D213 VanDerWaalsContact CZ-O 3.25Å; R185-D213 PolarHBondContact NH1-O 2.78Å; R185-D213 PolarHBondContact NH2-O 2.94Å; R185-A215 PolarHBondContact NH2-O 3.16Å; R185-E217 CarbonylContact C-O 3.53Å; R185-E217 WeakPolarHBondContact CA-O 3.37Å; R185-E217 WeakPolarHBondContact CG-O 3.32Å; R185-Y218 HydrophobicContact CG-CE1 4.43Å
186T79.5Confident84.2Confident49 Ų4965.1 Ų65.130%0.30139%0.387SS..  trans-79151.3178.1-48.90000110.2G188 E217T186-G188 PolarHBondContact O-N 3.01Å; T186-G188 VanDerWaalsContact O-N 3.16Å; T186-E217 PolarHBondContact N-O 2.95Å
187A57.5Low83.9Confident108 Ų10864.3 Ų64.389%0.89339%0.391SS*.SBendtrans-31.2106.4-171.700000116
188G58.3Low83.5Confident56 Ų5664.6 Ų64.658%0.57740%0.397SS*.SBendtrans-151.1-165.2165.600000108.1T186 S190T186-G188 PolarHBondContact O-N 3.01Å; T186-G188 VanDerWaalsContact O-N 3.16Å; G188-S190 PolarHBondContact O-N 3.27Å
189A55.5Low83.2Confident121 Ų12161.8 Ų61.8100%138%0.377SS*.SBendtrans-59.8-14.3-174.300000115.2
190S62.9Low83Confident42 Ų4263.1 Ų63.129%0.29438%0.381SS..  trans-143.6124.7176.7-174.30000110.7R185 G188 I192R185-S190 WeakPolarHBondContact CD-O 3.21Å; G188-S190 PolarHBondContact O-N 3.27Å; S190-I192 PolarHBondContact O-N 3.06Å; S190-I192 VanDerWaalsContact OG-CB 3.31Å; S190-I192 WeakPolarHBondContact OG-CB 3.41Å; S190-I192 PolarHBondContact OG-N 3.2Å; S190-I192 VanDerWaalsContact OG-N 3.1Å; S190-I192 PolarHBondContact OG-O 2.79Å
191S74.8Confident82.9Confident80 Ų8060.8 Ų60.856%0.55938%0.379SS*.SBendtrans-76.6-1.916555.80000112.2
192I83.9Confident82.8Confident90 Ų9061.1 Ų61.146%0.46239%0.388SS..PPolyproline II helixtrans-93.8129.9-177.3-56.8173.8000108.9S190S190-I192 PolarHBondContact O-N 3.06Å; S190-I192 VanDerWaalsContact OG-CB 3.31Å; S190-I192 WeakPolarHBondContact OG-CB 3.41Å; S190-I192 PolarHBondContact OG-N 3.2Å; S190-I192 VanDerWaalsContact OG-N 3.1Å; S190-I192 PolarHBondContact OG-O 2.79Å
193I85.1Confident82.8Confident0 Ų063.3 Ų63.30%040%0.402CS..BIsolated β-bridgetrans-84120.9165.4-53.7177.5000107W183 R185 N195 F196 G197 K200 I205 F207 Y218W183-I193 HydrophobicContact CB-CD1 4.23Å; R185-I193 HydrophobicContact CB-CG1 4.17Å; I193-N195 PolarHBondContact O-N 3.25Å; I193-F196 HydrophobicContact CB-CB 4.17Å; I193-F196 HydrophobicContact CB-CD2 4.47Å; I193-F196 HydrophobicContact CG2-CB 4.13Å; I193-F196 HydrophobicContact CG2-CD2 3.55Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CG 4.32Å; I193-F196 PolarHBondContact O-N 3.42Å; I193-G197 WeakPolarHBondContact CB-O 3.27Å; I193-G197 PolarHBondContact N-O 2.78Å; I193-G197 PolarHBondContact O-N 2.94Å; I193-K200 HydrophobicContact CD1-CB 4.05Å; I193-I205 HydrophobicContact CD1-CD1 4.3Å; I193-I205 HydrophobicContact CG2-CD1 3.26Å; I193-I205 HydrophobicContact CG2-CG1 4.48Å; I193-F207 HydrophobicContact CG2-CZ 4.43Å; I193-Y218 HydrophobicContact CG1-CE1 4.36Å; I193-Y218 HydrophobicContact CG2-CE1 4.21Å
194R83.9Confident82.8Confident67 Ų6765.3 Ų65.325%0.25341%0.414SS..THydrogen-bonded Turntrans-50.9132.7179.6-169.5166.464.3117.54110.1F196 Q209 E211 D214R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 PolarHBondContact O-N 3.03Å; R194-F196 VanDerWaalsContact O-N 3.15Å; R194-Q209 PolarHBondContact NH2-O 2.8Å; R194-E211 IonicContact CZ-OE1 4Å; R194-E211 IonicContact CZ-OE2 3.83Å; R194-E211 IonicContact NH1-OE1 2.94Å; R194-E211 PolarHBondContact NH1-OE1 2.91Å; R194-E211 IonicContact NH1-OE2 3.33Å; R194-E211 PolarHBondContact NH1-OE2 3.18Å; R194-D214 WeakPolarHBondContact CB-OD1 3.48Å; R194-D214 IonicContact CZ-OD1 2.77Å; R194-D214 IonicContact CZ-OD2 2.73Å; R194-D214 IonicContact NE-OD1 3.87Å; R194-D214 PolarHBondContact NE-OD1 2.85Å; R194-D214 IonicContact NE-OD2 3.77Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.98Å; R194-D214 IonicContact NH2-OD2 2.71Å; R194-D214 PolarHBondContact NH2-OD2 2.78Å
195N84.7Confident82.9Confident141 Ų14160.1 Ų60.175%0.75439%0.394SS*.THydrogen-bonded Turntrans67.8-5.2-175.6-51.6-29.9000117.2I193I193-N195 PolarHBondContact O-N 3.25Å
196F85.3Confident83.1Confident68 Ų6863.5 Ų63.530%0.29841%0.41SS..THydrogen-bonded Turntrans-124.8-10.9-174.8-53.7-66.1000114.6I193 R194 K200 I205I193-F196 HydrophobicContact CB-CB 4.17Å; I193-F196 HydrophobicContact CB-CD2 4.47Å; I193-F196 HydrophobicContact CG2-CB 4.13Å; I193-F196 HydrophobicContact CG2-CD2 3.55Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CG 4.32Å; I193-F196 PolarHBondContact O-N 3.42Å; R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 PolarHBondContact O-N 3.03Å; R194-F196 VanDerWaalsContact O-N 3.15Å; F196-K200 HydrophobicContact CB-CB 4.01Å; F196-K200 HydrophobicContact CB-CD 3.77Å; F196-K200 HydrophobicContact CD1-CD 3.11Å; F196-K200 HydrophobicContact CD2-CD 3.61Å; F196-K200 HydrophobicContact CE1-CD 3.41Å; F196-K200 VanDerWaalsContact CE1-CD 3.41Å; F196-K200 HydrophobicContact CE2-CD 3.88Å; F196-K200 HydrophobicContact CG-CB 4.31Å; F196-K200 HydrophobicContact CG-CD 3.19Å; F196-K200 HydrophobicContact CG-CG 4.35Å; F196-K200 HydrophobicContact CZ-CD 3.78Å; F196-I205 HydrophobicContact CD2-CD1 4.25Å; F196-I205 HydrophobicContact CD2-CG1 4.3Å; F196-I205 HydrophobicContact CE2-CD1 4.31Å; F196-I205 HydrophobicContact CE2-CG1 3.94Å
197G88.2Confident83.8Confident32 Ų3261.5 Ų61.533%0.3340%0.397SS..BIsolated β-bridgetrans82-157.4-177.700000111.8I193 V199I193-G197 WeakPolarHBondContact CB-O 3.27Å; I193-G197 PolarHBondContact N-O 2.78Å; I193-G197 PolarHBondContact O-N 2.94Å; G197-V199 VanDerWaalsContact C-N 3.26Å; G197-V199 PolarHBondContact O-N 3.36Å
198A87.5Confident85.6Confident54 Ų5461.4 Ų61.445%0.44638%0.381SS..THydrogen-bonded Turntrans-70.3-21.7-177.900000113.9
199V90.5Very high87.3Confident56 Ų5665 Ų6534%0.33938%0.383SS..  trans-141131.5-174.8-175.50000110Y182 W183 R184 G197Y182-V199 HydrophobicContact CD2-CG1 3.91Å; Y182-V199 HydrophobicContact CG-CG1 4.26Å; W183-V199 WeakPolarHBondContact O-CA 3.23Å; R184-V199 HydrophobicContact CG-CG2 4.19Å; G197-V199 VanDerWaalsContact C-N 3.26Å; G197-V199 PolarHBondContact O-N 3.36Å
200K94Very high89.2Confident50 Ų5059.2 Ų59.222%0.21734%0.336CS..EExtended strand (participates in β ladder)trans-110.3116.3169.4170.7107.1-177.184.90109.4Y182 W183 I193 F196 I205Y182-K200 CarbonylContact C-O 3.51Å; Y182-K200 VanDerWaalsContact CA-O 3.3Å; Y182-K200 WeakPolarHBondContact CA-O 3.3Å; W183-K200 HydrophobicContact CB-CB 4.26Å; W183-K200 PolarHBondContact N-O 3.28Å; W183-K200 PolarHBondContact O-N 3.44Å; I193-K200 HydrophobicContact CD1-CB 4.05Å; F196-K200 HydrophobicContact CB-CB 4.01Å; F196-K200 HydrophobicContact CB-CD 3.77Å; F196-K200 HydrophobicContact CD1-CD 3.11Å; F196-K200 HydrophobicContact CD2-CD 3.61Å; F196-K200 HydrophobicContact CE1-CD 3.41Å; F196-K200 VanDerWaalsContact CE1-CD 3.41Å; F196-K200 HydrophobicContact CE2-CD 3.88Å; F196-K200 HydrophobicContact CG-CB 4.31Å; F196-K200 HydrophobicContact CG-CD 3.19Å; F196-K200 HydrophobicContact CG-CG 4.35Å; F196-K200 HydrophobicContact CZ-CD 3.78Å; K200-I205 HydrophobicContact CD-CG1 4.49Å
201S95Very high90.7Very high68 Ų6861.1 Ų61.148%0.47634%0.34SS..EExtended strand (participates in β ladder)trans-76.7146.5170.3-55.20000111.9
202G95.8Very high91.5Very high29 Ų2958.2 Ų58.230%0.29932%0.32SS..SBendtrans113.9163.4179.700000113.2I181 W183 V204I181-G202 PolarHBondContact O-N 3.5Å; W183-G202 VanDerWaalsContact CD1-O 3.23Å; W183-G202 PolarHBondContact NE1-O 3.47Å; G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.86Å
203N96.4Very high91.7Very high73 Ų7359.7 Ų59.739%0.3933%0.329SS..SBendtrans-75.1-17178.761.6-35.6000113.5H170 C171 N172 I181 W183H170-N203 CarbonylContact C-O 3.52Å; H170-N203 WeakPolarHBondContact CA-O 3.4Å; C171-N203 PolarHBondContact N-O 2.83Å; C171-N203 WeakPolarHBondContact O-CA 3.45Å; C171-N203 WeakPolarHBondContact O-CB 3.4Å; N172-N203 PolarHBondContact OD1-ND2 2.77Å; I181-N203 HydrophobicContact CD1-CB 4.29Å; W183-N203 PolarHBondContact NE1-O 3.31Å
204V96.4Very high92.1Very high41 Ų4159.7 Ų59.725%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-125.2132.1-177.4-171.80000111.4L169 H170 G202L169-V204 WeakPolarHBondContact O-CA 3.07Å; H170-V204 WeakPolarHBondContact ND1-CG2 3.46Å; G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.86Å
205I94.4Very high92.4Very high0 Ų058 Ų580%033%0.33CS..EExtended strand (participates in β ladder)trans-107.4126.8160.5-179.5173.6000108.4S168 L169 W183 I193 F196 K200 F207 Y218S168-I205 CarbonylContact C-O 3.53Å; S168-I205 WeakPolarHBondContact CA-O 3.35Å; L169-I205 HydrophobicContact CB-CG2 3.54Å; L169-I205 HydrophobicContact CD1-CG2 3.96Å; L169-I205 HydrophobicContact CG-CG2 3.91Å; L169-I205 PolarHBondContact N-O 3.1Å; L169-I205 PolarHBondContact O-N 3.11Å; W183-I205 HydrophobicContact CD2-CG2 4.19Å; W183-I205 HydrophobicContact CG-CG2 4.41Å; I193-I205 HydrophobicContact CD1-CD1 4.3Å; I193-I205 HydrophobicContact CG2-CD1 3.26Å; I193-I205 HydrophobicContact CG2-CG1 4.48Å; F196-I205 HydrophobicContact CD2-CD1 4.25Å; F196-I205 HydrophobicContact CD2-CG1 4.3Å; F196-I205 HydrophobicContact CE2-CD1 4.31Å; F196-I205 HydrophobicContact CE2-CG1 3.94Å; K200-I205 HydrophobicContact CD-CG1 4.49Å; I205-F207 HydrophobicContact CD1-CE1 4.19Å; I205-F207 HydrophobicContact CD1-CE2 3.64Å; I205-F207 HydrophobicContact CD1-CZ 3.32Å; I205-F207 HydrophobicContact CG1-CD2 4.37Å; I205-F207 HydrophobicContact CG1-CE2 3.69Å; I205-F207 HydrophobicContact CG1-CZ 3.83Å; I205-F207 HydrophobicContact CG2-CE2 4.34Å; I205-Y218 HydrophobicContact CD1-CD1 4.24Å; I205-Y218 HydrophobicContact CD1-CE1 4.02Å
206K95.2Very high92.8Very high109 Ų10952.4 Ų52.447%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-117.9131.1-178.5-172.6-179.3-172.7-131.70109.6D208K206-D208 VanDerWaalsContact CE-OD1 3.27Å; K206-D208 WeakPolarHBondContact CE-OD1 3.41Å; K206-D208 IonicContact NZ-OD1 3.91Å; K206-D208 PolarHBondContact NZ-OD1 2.76Å
207F94.7Very high93.2Very high7 Ų751.5 Ų51.53%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-112.1117.9169-56.4-91.3000106.8P166 V167 L169 I193 I205 D214 Y218 L235P166-F207 CarbonylContact C-O 3.55Å; P166-F207 VanDerWaalsContact CA-O 3.26Å; P166-F207 WeakPolarHBondContact CA-O 3.5Å; V167-F207 HydrophobicContact CG1-CB 3.91Å; V167-F207 HydrophobicContact CG1-CD2 3.81Å; V167-F207 HydrophobicContact CG1-CG 4.22Å; V167-F207 PolarHBondContact N-O 2.8Å; V167-F207 PolarHBondContact O-N 2.01Å; L169-F207 HydrophobicContact CD1-CE2 4.44Å; I193-F207 HydrophobicContact CG2-CZ 4.43Å; I205-F207 HydrophobicContact CD1-CE1 4.19Å; I205-F207 HydrophobicContact CD1-CE2 3.64Å; I205-F207 HydrophobicContact CD1-CZ 3.32Å; I205-F207 HydrophobicContact CG1-CD2 4.37Å; I205-F207 HydrophobicContact CG1-CE2 3.69Å; I205-F207 HydrophobicContact CG1-CZ 3.83Å; I205-F207 HydrophobicContact CG2-CE2 4.34Å; F207-D214 HydrophobicContact CD1-CB 4.49Å; F207-D214 HydrophobicContact CE1-CB 4.31Å; F207-Y218 AromaticContact CZ-CE1 3.8Å; F207-Y218 HydrophobicContact CZ-CE1 3.8Å; F207-Y218 AromaticContact CZ-CZ 3.72Å; F207-Y218 WeakPolarHBondContact CZ-OH 3.29Å; F207-L235 HydrophobicContact CE2-CD2 4.25Å
208D94.8Very high93.4Very high105 Ų10550 Ų5056%0.56129%0.286SS*.SBendtrans-75.4-30.5179.1-66.9-43.8000111.8P166 K206P166-D208 WeakPolarHBondContact CA-O 3.48Å; P166-D208 WeakPolarHBondContact CB-O 3.3Å; K206-D208 VanDerWaalsContact CE-OD1 3.27Å; K206-D208 WeakPolarHBondContact CE-OD1 3.41Å; K206-D208 IonicContact NZ-OD1 3.91Å; K206-D208 PolarHBondContact NZ-OD1 2.76Å
209Q95.3Very high93.7Very high132 Ų13248.7 Ų48.762%0.61727%0.271SS*.SBendtrans-142.3110.4171.9-67.3-175.3-24.100108.2R194R194-Q209 PolarHBondContact NH2-O 2.8Å
210V95.2Very high94Very high0 Ų046 Ų460%026%0.255CS..  trans-77.7140.1-179.473.50000111.5V161 D162 S163 G164 D165 V167 D214 L235 V237V161-V210 HydrophobicContact CG1-CB 4.45Å; V161-V210 HydrophobicContact CG1-CG1 3.79Å; V161-V210 HydrophobicContact CG1-CG2 4.26Å; V161-V210 HydrophobicContact CG2-CG1 4.08Å; D162-V210 WeakPolarHBondContact O-CG1 3.49Å; S163-V210 CarbonylContact C-O 3.52Å; S163-V210 WeakPolarHBondContact CA-O 3.35Å; S163-V210 PolarHBondContact OG-O 2.94Å; G164-V210 PolarHBondContact N-O 3.01Å; D165-V210 WeakPolarHBondContact O-CG1 3.19Å; D165-V210 PolarHBondContact O-N 2.92Å; V167-V210 HydrophobicContact CG1-CB 4.18Å; V167-V210 HydrophobicContact CG1-CG2 4.22Å; V210-D214 HydrophobicContact CG2-CB 3.83Å; V210-L235 HydrophobicContact CG2-CD2 4.07Å; V210-V237 HydrophobicContact CG1-CG1 3.99Å; V210-V237 HydrophobicContact CG2-CB 4.49Å; V210-V237 HydrophobicContact CG2-CG1 4.21Å; V210-V237 HydrophobicContact CG2-CG2 3.47Å; V210-V237 VanDerWaalsContact CG2-CG2 3.47Å
211E93.3Very high94.1Very high82 Ų8245.7 Ų45.738%0.38325%0.253SS..  trans-116.3161.2176.6-72172.4-161.500111R194 D213 D214R194-E211 IonicContact CZ-OE1 4Å; R194-E211 IonicContact CZ-OE2 3.83Å; R194-E211 IonicContact NH1-OE1 2.94Å; R194-E211 PolarHBondContact NH1-OE1 2.91Å; R194-E211 IonicContact NH1-OE2 3.33Å; R194-E211 PolarHBondContact NH1-OE2 3.18Å; E211-D213 PolarHBondContact O-N 3.47Å; E211-D213 VanDerWaalsContact O-N 3.11Å; E211-D214 PolarHBondContact N-OD2 3.33Å; E211-D214 WeakPolarHBondContact O-CB 3.2Å; E211-D214 PolarHBondContact O-N 3.02Å
212A91.3Very high94.3Very high18 Ų1842.4 Ų42.415%0.14923%0.23CC..G310 helixtrans-52.1-35.6176.500000112.6D214 A215 I242A212-D214 VanDerWaalsContact C-N 3.27Å; A212-D214 PolarHBondContact O-N 2.96Å; A212-A215 VanDerWaalsContact O-CB 3.24Å; A212-A215 WeakPolarHBondContact O-CB 3.43Å; A212-A215 PolarHBondContact O-N 2.9Å; A212-A215 VanDerWaalsContact O-N 3.16Å; A212-I242 HydrophobicContact CB-CD1 4.09Å
213D89.5Confident94.4Very high121 Ų12145.1 Ų45.165%0.64724%0.235SC*.G310 helixtrans-74.4-11.7179.3-73.6-9.8000113.9R185 E211 A215R185-D213 VanDerWaalsContact CZ-O 3.25Å; R185-D213 PolarHBondContact NH1-O 2.78Å; R185-D213 PolarHBondContact NH2-O 2.94Å; E211-D213 PolarHBondContact O-N 3.47Å; E211-D213 VanDerWaalsContact O-N 3.11Å; D213-A215 VanDerWaalsContact C-N 3.33Å
214D91.7Very high94.3Very high1 Ų142.6 Ų42.61%0.00522%0.221CC..G310 helixtrans-81-15.5170.3-62-43.7000111.7R194 F207 V210 E211 A212 G216 Y218 L235R194-D214 WeakPolarHBondContact CB-OD1 3.48Å; R194-D214 IonicContact CZ-OD1 2.77Å; R194-D214 IonicContact CZ-OD2 2.73Å; R194-D214 IonicContact NE-OD1 3.87Å; R194-D214 PolarHBondContact NE-OD1 2.85Å; R194-D214 IonicContact NE-OD2 3.77Å; R194-D214 PolarHBondContact NE-OD2 3.41Å; R194-D214 IonicContact NH2-OD1 3.98Å; R194-D214 IonicContact NH2-OD2 2.71Å; R194-D214 PolarHBondContact NH2-OD2 2.78Å; F207-D214 HydrophobicContact CD1-CB 4.49Å; F207-D214 HydrophobicContact CE1-CB 4.31Å; V210-D214 HydrophobicContact CG2-CB 3.83Å; E211-D214 PolarHBondContact N-OD2 3.33Å; E211-D214 WeakPolarHBondContact O-CB 3.2Å; E211-D214 PolarHBondContact O-N 3.02Å; A212-D214 VanDerWaalsContact C-N 3.27Å; A212-D214 PolarHBondContact O-N 2.96Å; D214-G216 PolarHBondContact O-N 2.89Å; D214-Y218 WeakPolarHBondContact O-CE2 3.41Å; D214-Y218 PolarHBondContact O-OH 2.92Å; D214-L235 HydrophobicContact CB-CD2 4.44Å
215A91.9Very high94.2Very high32 Ų3244.9 Ų44.926%0.26424%0.239SC..  trans-60.5132.7178.200000111.5R185 A212 D213 L235 V237R185-A215 PolarHBondContact NH2-O 3.16Å; A212-A215 VanDerWaalsContact O-CB 3.24Å; A212-A215 WeakPolarHBondContact O-CB 3.43Å; A212-A215 PolarHBondContact O-N 2.9Å; A212-A215 VanDerWaalsContact O-N 3.16Å; D213-A215 VanDerWaalsContact C-N 3.33Å; A215-L235 CarbonylContact C-O 3.55Å; A215-L235 WeakPolarHBondContact CA-O 3.48Å; A215-V237 HydrophobicContact CB-CB 4.07Å; A215-V237 HydrophobicContact CB-CG2 3.85Å
216G91.8Very high94.1Very high22 Ų2247.6 Ų47.623%0.22725%0.252CS..EExtended strand (participates in β ladder)trans161.3-166.8-178.500000113.5D214 R234 L235D214-G216 PolarHBondContact O-N 2.89Å; G216-R234 CarbonylContact O-C 3.59Å; G216-R234 WeakPolarHBondContact O-CA 3.32Å; G216-L235 PolarHBondContact N-O 3.47Å; G216-L235 PolarHBondContact O-N 2.86Å
217E93.2Very high94.1Very high49 Ų4943.9 Ų43.923%0.22925%0.245CC..EExtended strand (participates in β ladder)trans-103.8125.7178.1-173.1168.5110.300110.9R185 T186 R232R185-E217 CarbonylContact C-O 3.53Å; R185-E217 WeakPolarHBondContact CA-O 3.37Å; R185-E217 WeakPolarHBondContact CG-O 3.32Å; T186-E217 PolarHBondContact N-O 2.95Å; E217-R232 VanDerWaalsContact CD-CD 3.42Å; E217-R232 HydrophobicContact CG-CG 3.59Å; E217-R232 VanDerWaalsContact OE2-CD 3.23Å; E217-R232 WeakPolarHBondContact OE2-CD 3.44Å; E217-R232 IonicContact OE2-CZ 3.34Å; E217-R232 IonicContact OE2-NE 3.58Å; E217-R232 IonicContact OE2-NH1 3.03Å; E217-R232 PolarHBondContact OE2-NH1 3.35Å
218Y93.7Very high94.2Very high0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans-109130.1176.2-66.7-94.7000108.9L169 R184 R185 I193 I205 F207 D214 V233 L235L169-Y218 HydrophobicContact CD1-CD2 3.95Å; L169-Y218 HydrophobicContact CD1-CG 3.94Å; R184-Y218 CarbonylContact O-C 3.59Å; R184-Y218 WeakPolarHBondContact O-CA 3.36Å; R185-Y218 HydrophobicContact CG-CE1 4.43Å; I193-Y218 HydrophobicContact CG1-CE1 4.36Å; I193-Y218 HydrophobicContact CG2-CE1 4.21Å; I205-Y218 HydrophobicContact CD1-CD1 4.24Å; I205-Y218 HydrophobicContact CD1-CE1 4.02Å; F207-Y218 AromaticContact CZ-CE1 3.8Å; F207-Y218 HydrophobicContact CZ-CE1 3.8Å; F207-Y218 AromaticContact CZ-CZ 3.72Å; F207-Y218 WeakPolarHBondContact CZ-OH 3.29Å; D214-Y218 WeakPolarHBondContact O-CE2 3.41Å; D214-Y218 PolarHBondContact O-OH 2.92Å; Y218-V233 PolarHBondContact N-O 3.31Å; Y218-V233 PolarHBondContact O-N 3.1Å; Y218-L235 HydrophobicContact CD2-CB 4.03Å; Y218-L235 HydrophobicContact CE2-CB 3.83Å; Y218-L235 HydrophobicContact CE2-CD2 3.99Å
219M94.4Very high94.3Very high27 Ų2747.8 Ų47.813%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-111.5118.5177.6-168.867.362.300108.9W183 R184 Y221 L230 R232W183-M219 CarbonylContact C-O 3.48Å; W183-M219 WeakPolarHBondContact CA-O 3.08Å; R184-M219 PolarHBondContact N-O 2.84Å; R184-M219 PolarHBondContact O-N 2.84Å; M219-Y221 HydrophobicContact CB-CD2 4.48Å; M219-Y221 HydrophobicContact CB-CE2 3.72Å; M219-Y221 HydrophobicContact CG-CD2 4.13Å; M219-Y221 HydrophobicContact CG-CE2 3.45Å; M219-Y221 VanDerWaalsContact CG-CE2 3.45Å; M219-Y221 WeakPolarHBondContact O-CD2 3.47Å; M219-L230 HydrophobicContact CG-CD2 4.5Å; M219-L230 HydrophobicContact SD-CB 4.02Å; M219-R232 HydrophobicContact CE-CB 3.9Å; M219-R232 HydrophobicContact CE-CG 3.97Å; M219-R232 HydrophobicContact SD-CB 4.12Å
220C96.1Very high94.4Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-86138.1166.4174.30000109.8C171 I181 Y182 W183 L230 W231C171-C220 HydrophobicContact CB-CB 3.49Å; C171-C220 VanDerWaalsContact CB-CB 3.49Å; C171-C220 WeakPolarHBondContact CB-SG 3.42Å; C171-C220 WeakPolarHBondContact SG-CB 3.5Å; C171-C220 CovalentContact SG-SG 2.01Å; C171-C220 PolarHBondContact SG-SG 3.03Å; I181-C220 WeakPolarHBondContact CG2-SG 3.42Å; Y182-C220 CarbonylContact O-C 3.53Å; W183-C220 HydrophobicContact CD2-CB 3.88Å; W183-C220 HydrophobicContact CE3-CB 3.69Å; W183-C220 HydrophobicContact CH2-CB 3.81Å; W183-C220 HydrophobicContact CZ2-CB 3.99Å; W183-C220 HydrophobicContact CZ3-CB 3.65Å; C220-L230 CarbonylContact O-C 3.56Å; C220-L230 WeakPolarHBondContact O-CA 3.42Å; C220-W231 HydrophobicContact CB-CB 4.13Å; C220-W231 PolarHBondContact N-O 2.84Å; C220-W231 PolarHBondContact O-N 3.16Å
221Y96.7Very high94.4Very high43 Ų4346.5 Ų46.517%0.16925%0.25CS..EExtended strand (participates in β ladder)trans-117.6126.7174.5-65.1-103.9000108.1I181 Y182 R184 M219 L230I181-Y221 CarbonylContact C-O 3.49Å; I181-Y221 VanDerWaalsContact CA-O 3.26Å; I181-Y221 WeakPolarHBondContact CA-O 3.34Å; Y182-Y221 AromaticContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CD2 3.9Å; Y182-Y221 HydrophobicContact CD2-CG 4.03Å; Y182-Y221 HydrophobicContact CE1-CG 4.36Å; Y182-Y221 AromaticContact CE2-CD1 3.98Å; Y182-Y221 HydrophobicContact CE2-CD1 3.98Å; Y182-Y221 AromaticContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CD2 3.54Å; Y182-Y221 HydrophobicContact CE2-CE2 4.34Å; Y182-Y221 AromaticContact CE2-CG 3.36Å; Y182-Y221 HydrophobicContact CE2-CG 3.36Å; Y182-Y221 AromaticContact CZ-CD1 3.95Å; Y182-Y221 AromaticContact CZ-CG 3.57Å; Y182-Y221 PolarHBondContact N-O 2.83Å; Y182-Y221 PolarHBondContact O-N 2.98Å; R184-Y221 HydrophobicContact CB-CE2 3.95Å; R184-Y221 HydrophobicContact CG-CD2 4.28Å; R184-Y221 HydrophobicContact CG-CE2 3.9Å; M219-Y221 HydrophobicContact CB-CD2 4.48Å; M219-Y221 HydrophobicContact CB-CE2 3.72Å; M219-Y221 HydrophobicContact CG-CD2 4.13Å; M219-Y221 HydrophobicContact CG-CE2 3.45Å; M219-Y221 VanDerWaalsContact CG-CE2 3.45Å; M219-Y221 WeakPolarHBondContact O-CD2 3.47Å; Y221-L230 HydrophobicContact CD1-CD2 3.06Å; Y221-L230 HydrophobicContact CD2-CD2 4.46Å; Y221-L230 HydrophobicContact CE1-CD2 3.24Å; Y221-L230 HydrophobicContact CG-CD2 3.72Å
222A98.3Very high94.5Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-115.3118169.400000108.4P148 I150 A173 P179 I181 R228 A229P148-A222 HydrophobicContact CB-CB 4.1Å; P148-A222 WeakPolarHBondContact CB-O 3.34Å; I150-A222 HydrophobicContact CD1-CB 3.73Å; A173-A222 HydrophobicContact CB-CB 3.39Å; P179-A222 HydrophobicContact CB-CB 4.09Å; P179-A222 HydrophobicContact CG-CB 4.45Å; I181-A222 HydrophobicContact CG1-CB 4.23Å; A222-R228 CarbonylContact O-C 3.55Å; A222-R228 VanDerWaalsContact O-CA 3.27Å; A222-R228 WeakPolarHBondContact O-CA 3.33Å; A222-A229 PolarHBondContact N-O 2.73Å; A222-A229 PolarHBondContact O-N 3.23Å
223E97.3Very high94.7Very high86 Ų8646.3 Ų46.340%0.40224%0.242SC..EExtended strand (participates in β ladder)trans-133.7133.2-169-173167.2-169.700111.9P179 F180 Y182 R228P179-E223 CarbonylContact C-O 3.53Å; P179-E223 VanDerWaalsContact CA-O 3.32Å; P179-E223 WeakPolarHBondContact CA-O 3.14Å; F180-E223 PolarHBondContact N-O 3.4Å; F180-E223 PolarHBondContact O-N 2.71Å; Y182-E223 HydrophobicContact CE1-CB 4.49Å; Y182-E223 PolarHBondContact OH-OE2 2.99Å; Y182-E223 VanDerWaalsContact OH-OE2 3.1Å; E223-R228 HydrophobicContact CB-CB 4.49Å; E223-R228 HydrophobicContact CG-CB 4.39Å
224N95.9Very high94.9Very high20 Ų2046.3 Ų46.311%0.10723%0.233CC..EExtended strand (participates in β ladder)trans-137.4-178.6169.473.48.3000109.7A146 P148 P177 P179 M226 G227A146-N224 PolarHBondContact O-ND2 2.82Å; P148-N224 VanDerWaalsContact CD-OD1 3.23Å; P148-N224 WeakPolarHBondContact CD-OD1 3.31Å; P148-N224 HydrophobicContact CG-CB 4.15Å; P148-N224 WeakPolarHBondContact CG-OD1 3.05Å; P177-N224 WeakPolarHBondContact O-CB 3.42Å; P177-N224 PolarHBondContact O-ND2 2.8Å; P179-N224 HydrophobicContact CB-CB 4.5Å; N224-M226 PolarHBondContact O-N 2.91Å; N224-M226 WeakPolarHBondContact OD1-CA 3.5Å; N224-M226 VanDerWaalsContact OD1-CB 3.29Å; N224-M226 WeakPolarHBondContact OD1-CB 3.45Å; N224-M226 PolarHBondContact OD1-N 2.56Å; N224-G227 PolarHBondContact N-O 2.86Å; N224-G227 PolarHBondContact O-N 3.16Å; N224-G227 VanDerWaalsContact O-N 3.16Å; N224-G227 PolarHBondContact OD1-N 2.78Å; N224-G227 VanDerWaalsContact OD1-N 3.16Å
225S94.3Very high95.1Very high89 Ų8946.3 Ų46.362%0.62223%0.233SC*.THydrogen-bonded Turntrans-62.5-12.2179.554.90000114.7P177P177-S225 WeakPolarHBondContact CD-OG 3.32Å
226M92.2Very high95.2Very high57 Ų5749.2 Ų49.228%0.28124%0.241SC..THydrogen-bonded Turntrans-98.3-13.4-179.9-56.8-61.7118.400113.2L49 F145 K147 N224L49-M226 HydrophobicContact CD2-CB 4.17Å; L49-M226 HydrophobicContact CD2-CG 4.04Å; L49-M226 HydrophobicContact CD2-SD 3.79Å; F145-M226 HydrophobicContact CB-CE 4.29Å; F145-M226 HydrophobicContact CB-CG 3.63Å; F145-M226 HydrophobicContact CB-SD 3.53Å; F145-M226 VanDerWaalsContact CB-SD 3.53Å; F145-M226 HydrophobicContact CD1-CE 3.93Å; F145-M226 HydrophobicContact CD1-SD 4.3Å; F145-M226 HydrophobicContact CD2-SD 4.43Å; F145-M226 HydrophobicContact CE1-CE 4.37Å; F145-M226 HydrophobicContact CG-CE 4Å; F145-M226 HydrophobicContact CG-CG 4.33Å; F145-M226 HydrophobicContact CG-SD 3.85Å; K147-M226 HydrophobicContact CG-CB 4.08Å; N224-M226 PolarHBondContact O-N 2.91Å; N224-M226 WeakPolarHBondContact OD1-CA 3.5Å; N224-M226 VanDerWaalsContact OD1-CB 3.29Å; N224-M226 WeakPolarHBondContact OD1-CB 3.45Å; N224-M226 PolarHBondContact OD1-N 2.56Å
227G94.8Very high95.4Very high30 Ų3048.3 Ų48.331%0.30923%0.231SC..EExtended strand (participates in β ladder)trans154.6-160.9176.800000113.7P148 N224P148-G227 WeakPolarHBondContact CD-O 3.39Å; P148-G227 VanDerWaalsContact CG-O 3.3Å; P148-G227 WeakPolarHBondContact CG-O 3.44Å; N224-G227 PolarHBondContact N-O 2.86Å; N224-G227 PolarHBondContact O-N 3.16Å; N224-G227 VanDerWaalsContact O-N 3.16Å; N224-G227 PolarHBondContact OD1-N 2.78Å; N224-G227 VanDerWaalsContact OD1-N 3.16Å
228R96.4Very high95.6Very high175 Ų17550.2 Ų50.266%0.6624%0.236SC*.EExtended strand (participates in β ladder)trans-137145.8-179.269.4-177.2-175-174.30.1111.5A222 E223A222-R228 CarbonylContact O-C 3.55Å; A222-R228 VanDerWaalsContact O-CA 3.27Å; A222-R228 WeakPolarHBondContact O-CA 3.33Å; E223-R228 HydrophobicContact CB-CB 4.49Å; E223-R228 HydrophobicContact CG-CB 4.39Å
229A97.7Very high95.8Very high19 Ų1950.9 Ų50.916%0.15724%0.239CC..EExtended strand (participates in β ladder)trans-124.8151.116700000110.3P148 I150 A222P148-A229 HydrophobicContact CB-CB 4.13Å; P148-A229 WeakPolarHBondContact O-CB 3.44Å; I150-A229 HydrophobicContact CD1-CB 4.1Å; I150-A229 HydrophobicContact CG1-CB 3.89Å; A222-A229 PolarHBondContact N-O 2.73Å; A222-A229 PolarHBondContact O-N 3.23Å
230L96Very high96Very high77 Ų7751.4 Ų51.440%0.40325%0.248SC..EExtended strand (participates in β ladder)trans-125.4143.2-173.4-58.1175000110.2M219 C220 Y221M219-L230 HydrophobicContact CG-CD2 4.5Å; M219-L230 HydrophobicContact SD-CB 4.02Å; C220-L230 CarbonylContact O-C 3.56Å; C220-L230 WeakPolarHBondContact O-CA 3.42Å; Y221-L230 HydrophobicContact CD1-CD2 3.06Å; Y221-L230 HydrophobicContact CD2-CD2 4.46Å; Y221-L230 HydrophobicContact CE1-CD2 3.24Å; Y221-L230 HydrophobicContact CG-CD2 3.72Å
231W96.6Very high96.1Very high28 Ų2851.7 Ų51.711%0.10625%0.25CC..EExtended strand (participates in β ladder)trans-135.9125.2173.8-165.6-110.7000111.5I150 R152 S156 Y157 C220I150-W231 HydrophobicContact CB-CE3 4.36Å; I150-W231 HydrophobicContact CD1-CB 4.33Å; I150-W231 HydrophobicContact CG1-CB 4.12Å; I150-W231 HydrophobicContact CG2-CB 3.96Å; I150-W231 HydrophobicContact CG2-CD2 3.84Å; I150-W231 HydrophobicContact CG2-CE3 3.9Å; I150-W231 HydrophobicContact CG2-CG 3.88Å; R152-W231 HydrophobicContact CB-CH2 4.11Å; R152-W231 HydrophobicContact CB-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CH2 3.72Å; R152-W231 HydrophobicContact CG-CZ2 4.46Å; R152-W231 HydrophobicContact CG-CZ3 3.8Å; S156-W231 PolarHBondContact O-NE1 3.27Å; Y157-W231 HydrophobicContact CD1-CZ2 4.01Å; Y157-W231 HydrophobicContact CE1-CH2 4.04Å; Y157-W231 AromaticContact CE1-CZ2 3.67Å; Y157-W231 HydrophobicContact CE1-CZ2 3.67Å; Y157-W231 AromaticContact CZ-CZ2 3.95Å; C220-W231 HydrophobicContact CB-CB 4.13Å; C220-W231 PolarHBondContact N-O 2.84Å; C220-W231 PolarHBondContact O-N 3.16Å
232R94.9Very high96.1Very high96 Ų9653 Ų5336%0.36226%0.259SS..EExtended strand (participates in β ladder)trans-101.8131-175-173.9-161.377.776.510.8109.9D158 E217 M219D158-R232 IonicContact OD1-CZ 3.23Å; D158-R232 IonicContact OD1-NH1 3.57Å; D158-R232 IonicContact OD1-NH2 3.64Å; D158-R232 PolarHBondContact OD1-NH2 2.92Å; D158-R232 IonicContact OD2-CZ 3.34Å; D158-R232 IonicContact OD2-NH1 2.72Å; D158-R232 IonicContact OD2-NH2 3.11Å; D158-R232 PolarHBondContact OD2-NH2 3.18Å; E217-R232 VanDerWaalsContact CD-CD 3.42Å; E217-R232 HydrophobicContact CG-CG 3.59Å; E217-R232 VanDerWaalsContact OE2-CD 3.23Å; E217-R232 WeakPolarHBondContact OE2-CD 3.44Å; E217-R232 IonicContact OE2-CZ 3.34Å; E217-R232 IonicContact OE2-NE 3.58Å; E217-R232 IonicContact OE2-NH1 3.03Å; E217-R232 PolarHBondContact OE2-NH1 3.35Å; M219-R232 HydrophobicContact CE-CB 3.9Å; M219-R232 HydrophobicContact CE-CG 3.97Å; M219-R232 HydrophobicContact SD-CB 4.12Å
233V95.1Very high96.1Very high0 Ų053.9 Ų53.90%026%0.264CS..EExtended strand (participates in β ladder)trans-130.4119.1175.9-178.60000109.1S156 Y157 L169 W183 Y218S156-V233 WeakPolarHBondContact O-CG2 3.34Å; Y157-V233 VanDerWaalsContact O-CG1 3.3Å; Y157-V233 WeakPolarHBondContact O-CG1 3.42Å; L169-V233 HydrophobicContact CD1-CG1 4.14Å; L169-V233 HydrophobicContact CD2-CG1 4.08Å; W183-V233 HydrophobicContact CH2-CG2 4.08Å; W183-V233 HydrophobicContact CZ3-CB 4.44Å; W183-V233 HydrophobicContact CZ3-CG2 4.12Å; Y218-V233 PolarHBondContact N-O 3.31Å; Y218-V233 PolarHBondContact O-N 3.1Å
234R94.3Very high96.1Very high121 Ų12157.5 Ų57.546%0.45728%0.275SS..EExtended strand (participates in β ladder)trans-88.6120.5168.6177.1175.8-89.6175.5-7.3109.5D158 T159 G216 Q236D158-R234 CarbonylContact C-O 3.54Å; D158-R234 VanDerWaalsContact CA-O 3.3Å; D158-R234 WeakPolarHBondContact CA-O 3.47Å; D158-R234 HydrophobicContact CB-CB 4.36Å; D158-R234 PolarHBondContact OD1-N 2.84Å; T159-R234 PolarHBondContact N-O 2.82Å; G216-R234 CarbonylContact O-C 3.59Å; G216-R234 WeakPolarHBondContact O-CA 3.32Å; R234-Q236 HydrophobicContact CG-CG 4.15Å
235L95Very high96.2Very high2 Ų257.2 Ų57.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-93.3116169.3-177.960.6000108.7T159 V161 V167 F207 V210 D214 A215 G216 Y218 V237T159-L235 HydrophobicContact CG2-CD1 4.23Å; V161-L235 HydrophobicContact CG1-CD1 3.69Å; V167-L235 HydrophobicContact CG1-CD1 4.31Å; V167-L235 HydrophobicContact CG1-CD2 4.4Å; V167-L235 HydrophobicContact CG2-CD1 4.3Å; F207-L235 HydrophobicContact CE2-CD2 4.25Å; V210-L235 HydrophobicContact CG2-CD2 4.07Å; D214-L235 HydrophobicContact CB-CD2 4.44Å; A215-L235 CarbonylContact C-O 3.55Å; A215-L235 WeakPolarHBondContact CA-O 3.48Å; G216-L235 PolarHBondContact N-O 3.47Å; G216-L235 PolarHBondContact O-N 2.86Å; Y218-L235 HydrophobicContact CD2-CB 4.03Å; Y218-L235 HydrophobicContact CE2-CB 3.83Å; Y218-L235 HydrophobicContact CE2-CD2 3.99Å; L235-V237 HydrophobicContact CD2-CG2 4.41Å; L235-V237 HydrophobicContact CG-CG2 4.11Å
236Q94.4Very high96.3Very high93 Ų9357.2 Ų57.244%0.43526%0.262SS..EExtended strand (participates in β ladder)trans-99.4132.6168.9-66.7-173.5-28.600108.6T159 D160 V161 R234T159-Q236 PolarHBondContact O-N 3.07Å; D160-Q236 WeakPolarHBondContact CA-O 3.43Å; D160-Q236 HydrophobicContact CB-CB 4.45Å; V161-Q236 PolarHBondContact N-O 3.15Å; R234-Q236 HydrophobicContact CG-CG 4.15Å
237V96.5Very high96.5Very high3 Ų357.2 Ų57.22%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-118.2117.2179-1750000107.7V161 V210 A215 L235 N267V161-V237 HydrophobicContact CG1-CG2 4.35Å; V161-V237 CarbonylContact O-C 3.16Å; V161-V237 VanDerWaalsContact O-CA 3.3Å; V161-V237 WeakPolarHBondContact O-CA 3.2Å; V210-V237 HydrophobicContact CG1-CG1 3.99Å; V210-V237 HydrophobicContact CG2-CB 4.49Å; V210-V237 HydrophobicContact CG2-CG1 4.21Å; V210-V237 HydrophobicContact CG2-CG2 3.47Å; V210-V237 VanDerWaalsContact CG2-CG2 3.47Å; A215-V237 HydrophobicContact CB-CB 4.07Å; A215-V237 HydrophobicContact CB-CG2 3.85Å; L235-V237 HydrophobicContact CD2-CG2 4.41Å; L235-V237 HydrophobicContact CG-CG2 4.11Å; V237-N267 WeakPolarHBondContact O-CB 3.36Å; V237-N267 PolarHBondContact O-ND2 3.11Å
238R98Very high96.4Very high88 Ų8860.7 Ų60.733%0.33228%0.281SS..EExtended strand (participates in β ladder)trans-87.7138174.2-46.5-174-57.8-1572109D160 V161 D162 S163 N267 L329D160-R238 WeakPolarHBondContact OD1-CG 3.42Å; D160-R238 WeakPolarHBondContact OD2-CD 3.42Å; D160-R238 IonicContact OD2-NH1 3.72Å; V161-R238 PolarHBondContact O-N 2.79Å; D162-R238 CarbonylContact C-O 3.59Å; D162-R238 WeakPolarHBondContact OD1-CB 3.45Å; D162-R238 IonicContact OD1-CZ 3.15Å; D162-R238 IonicContact OD1-NE 3.47Å; D162-R238 PolarHBondContact OD1-NE 3.04Å; D162-R238 IonicContact OD1-NH2 2.81Å; D162-R238 PolarHBondContact OD1-NH2 3.48Å; D162-R238 IonicContact OD2-CZ 3.93Å; D162-R238 IonicContact OD2-NH2 2.88Å; D162-R238 PolarHBondContact OD2-NH2 3.35Å; S163-R238 WeakPolarHBondContact CB-O 3.17Å; S163-R238 PolarHBondContact N-O 2.96Å; R238-N267 CarbonylContact C-O 3.52Å; R238-N267 WeakPolarHBondContact CA-O 3.3Å; R238-N267 WeakPolarHBondContact CB-O 3.27Å; R238-L329 HydrophobicContact CB-CD1 3.59Å
239H97.6Very high96.1Very high14 Ų1459.1 Ų59.17%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-151.1154-179.159.493.3000110.7N265 N267 N327 L329H239-N265 PolarHBondContact CE1-O 3.33Å; H239-N267 PolarHBondContact N-O 2.6Å; H239-N267 PolarHBondContact O-N 3.24Å; H239-N327 PolarHBondContact O-ND2 3.49Å; H239-L329 VanDerWaalsContact N-CD1 3.32Å
240A97.4Very high95.9Very high38 Ų3858.2 Ų58.231%0.31427%0.274SS..EExtended strand (participates in β ladder)trans-58.5159.616600000110.1L329A240-L329 HydrophobicContact CB-CB 4.33Å
241P98.1Very high95.6Very high6 Ų659.8 Ų59.84%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-61.5148-175.6-17.530.5000111.5V243 I264 N265 A266 V270 A325 N327 G330 I332P241-V243 HydrophobicContact CB-CG2 4.5Å; P241-I264 HydrophobicContact CB-CG2 3.85Å; P241-N265 CarbonylContact C-O 3.47Å; P241-N265 WeakPolarHBondContact CA-O 3.5Å; P241-A266 HydrophobicContact CB-CB 3.89Å; P241-A266 HydrophobicContact CG-CB 4.06Å; P241-V270 HydrophobicContact CB-CG2 4.1Å; P241-V270 HydrophobicContact CG-CG2 3.72Å; P241-A325 HydrophobicContact CB-CB 4.07Å; P241-A325 HydrophobicContact CG-CB 4.33Å; P241-N327 HydrophobicContact CG-CB 4.38Å; P241-G330 WeakPolarHBondContact CD-O 3.33Å; P241-I332 HydrophobicContact CB-CG2 3.81Å; P241-I332 HydrophobicContact CG-CG2 4.47Å; P241-I332 WeakPolarHBondContact O-CG2 3.02Å
242I97.3Very high95.4Very high71 Ų7160.3 Ų60.336%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-112.9115.6171-58.6169.8000105.9A212 I264 N265A212-I242 HydrophobicContact CB-CD1 4.09Å; I242-I264 WeakPolarHBondContact O-CA 3.24Å; I242-N265 HydrophobicContact CB-CB 4.47Å; I242-N265 PolarHBondContact N-O 3.22Å; I242-N265 PolarHBondContact O-N 2.76Å
243V97.6Very high95Very high18 Ų1858.3 Ų58.311%0.10928%0.275CS..EExtended strand (participates in β ladder)trans-111130.5-172.6177.10000110.5P241 C262 V263 I264 C323 A325 I332 A334P241-V243 HydrophobicContact CB-CG2 4.5Å; V243-C262 WeakPolarHBondContact CG1-SG 3.44Å; V243-V263 WeakPolarHBondContact CA-O 3.24Å; V243-I264 HydrophobicContact CG2-CG1 4.21Å; V243-I264 HydrophobicContact CG2-CG2 4.24Å; V243-C323 HydrophobicContact CG1-CB 4.22Å; V243-A325 HydrophobicContact CG2-CB 3.82Å; V243-I332 HydrophobicContact CB-CG2 4.13Å; V243-I332 HydrophobicContact CG2-CG2 3.4Å; V243-A334 HydrophobicContact CB-CB 4.28Å; V243-A334 HydrophobicContact CG1-CB 3.71Å
244R97.9Very high94.7Very high163 Ų16360 Ų6062%0.61529%0.287SS*.EExtended strand (participates in β ladder)trans-132.1135.2173.8-63.8-176.7179.8179.11.4110F246 V263R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 4.22Å; R244-V263 PolarHBondContact N-O 3.35Å; R244-V263 PolarHBondContact O-N 3.35Å
245I97.9Very high94.4Very high13 Ų1355.1 Ų55.17%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-103.6134.4178.2-64.6170.3000109.7I261 W277 C323 A334 T336I245-I261 CarbonylContact C-O 3.49Å; I245-I261 WeakPolarHBondContact CA-O 3.45Å; I245-W277 HydrophobicContact CB-CH2 4.37Å; I245-W277 HydrophobicContact CD1-CH2 3.69Å; I245-W277 HydrophobicContact CD1-CZ3 3.7Å; I245-W277 HydrophobicContact CG1-CH2 3.72Å; I245-W277 HydrophobicContact CG1-CZ3 4.26Å; I245-W277 HydrophobicContact CG2-CH2 3.76Å; I245-C323 HydrophobicContact CD1-CB 4.13Å; I245-C323 HydrophobicContact CG1-CB 4.29Å; I245-A334 HydrophobicContact CD1-CB 3.88Å; I245-A334 VanDerWaalsContact CD1-O 3.22Å; I245-A334 WeakPolarHBondContact CD1-O 3.22Å; I245-A334 HydrophobicContact CG1-CB 4.09Å; I245-T336 HydrophobicContact CD1-CG2 4.32Å; I245-T336 HydrophobicContact CG2-CG2 3.68Å
246F97.5Very high94.1Very high90 Ų9055 Ų5540%0.39527%0.274SS..EExtended strand (participates in β ladder)trans-125.1139.2174.7-63.8-82.3000111.6R244 I261 V263R244-F246 HydrophobicContact CB-CE2 3.77Å; R244-F246 HydrophobicContact CB-CZ 4.22Å; F246-I261 HydrophobicContact CB-CB 4.48Å; F246-I261 PolarHBondContact N-O 3.07Å; F246-I261 PolarHBondContact O-N 2.8Å; F246-V263 HydrophobicContact CD2-CB 4.5Å; F246-V263 HydrophobicContact CD2-CG2 3.76Å; F246-V263 HydrophobicContact CE2-CB 4.3Å; F246-V263 HydrophobicContact CE2-CG2 3.91Å
247P95.6Very high93.9Very high56 Ų5653.9 Ų53.936%0.36427%0.27SS..SBendcis-64.5154.3-10.531-36.6000111.4E249 P250P247-E249 VanDerWaalsContact C-N 3.3Å; P247-E249 PolarHBondContact O-N 2.84Å; P247-P250 HydrophobicContact CG-CB 3.83Å
248V92.5Very high93.8Very high104 Ų10454.5 Ų54.563%0.6327%0.273SS*.SBendtrans-62.8-42.3-179177.80000110.5P250 T336V248-P250 WeakPolarHBondContact O-CD 3.43Å; V248-T336 PolarHBondContact O-OG1 3.29Å
249E91.3Very high93.6Very high141 Ų14156.9 Ų56.966%0.65928%0.283SS*.SBendtrans-120.189.7176.3-57.6-178.4155.700108.9P247 F251P247-E249 VanDerWaalsContact C-N 3.3Å; P247-E249 PolarHBondContact O-N 2.84Å; E249-F251 HydrophobicContact CB-CD2 4.16Å; E249-F251 HydrophobicContact CB-CE2 3.42Å; E249-F251 VanDerWaalsContact CB-CE2 3.42Å; E249-F251 HydrophobicContact CB-CZ 4.12Å; E249-F251 WeakPolarHBondContact O-CD2 3.38Å; E249-F251 WeakPolarHBondContact O-CE2 3.45Å; E249-F251 PolarHBondContact O-N 2.77Å
250P93.3Very high93.5Very high0 Ų056.2 Ų56.20%028%0.279CS..  trans-73.3114.9179.421.8-24.2000111P247 V248 L258 L260 T336 I338 T339P247-P250 HydrophobicContact CG-CB 3.83Å; V248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-L258 HydrophobicContact CB-CD1 4.36Å; P250-L258 HydrophobicContact CB-CD2 4.1Å; P250-L260 HydrophobicContact CB-CD2 3.74Å; P250-L260 HydrophobicContact CG-CD2 3.9Å; P250-T336 WeakPolarHBondContact CD-OG1 2.95Å; P250-T336 HydrophobicContact CG-CG2 4.01Å; P250-I338 HydrophobicContact CG-CG1 4.24Å; P250-T339 PolarHBondContact O-N 2.91Å
251F90Very high93.5Very high110 Ų11056.9 Ų56.948%0.48228%0.277SS..EExtended strand (participates in β ladder)trans-113.4128.2170.5-61.3-88.9000110E249 T339E249-F251 HydrophobicContact CB-CD2 4.16Å; E249-F251 HydrophobicContact CB-CE2 3.42Å; E249-F251 VanDerWaalsContact CB-CE2 3.42Å; E249-F251 HydrophobicContact CB-CZ 4.12Å; E249-F251 WeakPolarHBondContact O-CD2 3.38Å; E249-F251 WeakPolarHBondContact O-CE2 3.45Å; E249-F251 PolarHBondContact O-N 2.77Å; F251-T339 WeakPolarHBondContact CA-O 3.45Å; F251-T339 VanDerWaalsContact CD1-CB 3.47Å; F251-T339 HydrophobicContact CD1-CG2 3.69Å; F251-T339 HydrophobicContact CE1-CG2 3.53Å
252Q91Very high93.5Very high39 Ų3956.6 Ų56.618%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-154.4163177.2-169.953-7900111.8C256 N257 L258 I312 F317 T339 E340 S341Q252-C256 HydrophobicContact CG-CB 3.69Å; Q252-N257 PolarHBondContact NE2-O 3.23Å; Q252-L258 HydrophobicContact CB-CB 4.42Å; Q252-L258 HydrophobicContact CB-CD1 4.27Å; Q252-L258 HydrophobicContact CB-CD2 4.44Å; Q252-L258 HydrophobicContact CG-CB 4.25Å; Q252-I312 HydrophobicContact CB-CD1 4.36Å; Q252-I312 HydrophobicContact CG-CG2 4.23Å; Q252-F317 WeakPolarHBondContact O-CE1 3.41Å; Q252-F317 WeakPolarHBondContact O-CZ 2.95Å; Q252-T339 PolarHBondContact N-O 2.92Å; Q252-T339 VanDerWaalsContact N-O 3.16Å; Q252-E340 WeakPolarHBondContact O-CA 3.27Å; Q252-S341 PolarHBondContact O-N 2.63Å
253K87.9Confident93.5Very high55 Ų5555 Ų5524%0.23927%0.269CS..  trans-100.4147176-170.6172.8-166.5162.60112.9G255 C256 I312 S343 V345K253-G255 PolarHBondContact O-N 3.34Å; K253-C256 VanDerWaalsContact O-CB 3.24Å; K253-C256 WeakPolarHBondContact O-CB 3.42Å; K253-C256 PolarHBondContact O-N 3.33Å; K253-I312 WeakPolarHBondContact O-CG2 3.12Å; K253-S343 WeakPolarHBondContact CD-O 3.46Å; K253-S343 PolarHBondContact NZ-O 3.32Å; K253-V345 HydrophobicContact CB-CG2 4.2Å; K253-V345 HydrophobicContact CD-CB 3.89Å; K253-V345 HydrophobicContact CD-CG2 3.44Å; K253-V345 VanDerWaalsContact CD-CG2 3.44Å; K253-V345 HydrophobicContact CG-CG2 4.44Å
254S88.5Confident93.5Very high36 Ų3654.1 Ų54.125%0.25226%0.264SS..THydrogen-bonded Turntrans-50.5134.1174.3-163.10000111.7C256 T314S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.38Å; S254-T314 PolarHBondContact OG-OG1 2.9Å
255G86.6Confident93.5Very high18 Ų1848.7 Ų48.719%0.18625%0.246CC..THydrogen-bonded Turntrans83.4-5.8-177.700000115.7K253 I312 H352 N355K253-G255 PolarHBondContact O-N 3.34Å; G255-I312 PolarHBondContact N-O 3.16Å; G255-H352 PolarHBondContact O-ND1 2.82Å; G255-H352 VanDerWaalsContact O-ND1 3.15Å; G255-N355 PolarHBondContact O-ND2 3.11Å; G255-N355 VanDerWaalsContact O-ND2 3.1Å
256C89.6Confident93.4Very high0 Ų048 Ų480%024%0.243CC..SBendtrans-87.6164.2168.7-65.70000111.9Q252 K253 S254 I312 C354 N355Q252-C256 HydrophobicContact CG-CB 3.69Å; K253-C256 VanDerWaalsContact O-CB 3.24Å; K253-C256 WeakPolarHBondContact O-CB 3.42Å; K253-C256 PolarHBondContact O-N 3.33Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.38Å; C256-I312 VanDerWaalsContact O-CG2 3.23Å; C256-I312 WeakPolarHBondContact O-CG2 3.41Å; C256-I312 PolarHBondContact O-N 2.97Å; C256-C354 VanDerWaalsContact CA-SG 3.52Å; C256-C354 HydrophobicContact CB-CB 3.95Å; C256-C354 WeakPolarHBondContact CB-SG 3.41Å; C256-C354 WeakPolarHBondContact SG-CB 3.34Å; C256-C354 CovalentContact SG-SG 2.02Å; C256-C354 PolarHBondContact SG-SG 3.05Å; C256-N355 VanDerWaalsContact CA-OD1 3.28Å; C256-N355 WeakPolarHBondContact CA-OD1 3.27Å
257N90.9Very high93.4Very high68 Ų6845.1 Ų45.136%0.36423%0.232SC..  trans-86.7140.6172.9-66.3-17.1000109.7Q252 L309 T310 N355Q252-N257 PolarHBondContact NE2-O 3.23Å; N257-L309 WeakPolarHBondContact CA-O 3.37Å; N257-T310 HydrophobicContact CB-CG2 4.01Å; N257-T310 WeakPolarHBondContact OD1-CA 3.42Å; N257-T310 WeakPolarHBondContact OD1-CB 3.42Å; N257-N355 PolarHBondContact N-OD1 2.99Å
258L92.6Very high93.4Very high16 Ų1644.7 Ų44.78%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-128.4139.6171.6-179.563.1000109.4P250 Q252 L260 L309 I312 I338P250-L258 HydrophobicContact CB-CD1 4.36Å; P250-L258 HydrophobicContact CB-CD2 4.1Å; Q252-L258 HydrophobicContact CB-CB 4.42Å; Q252-L258 HydrophobicContact CB-CD1 4.27Å; Q252-L258 HydrophobicContact CB-CD2 4.44Å; Q252-L258 HydrophobicContact CG-CB 4.25Å; L258-L260 HydrophobicContact CD2-CD2 4.19Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L258-L309 HydrophobicContact CB-CB 4.46Å; L258-L309 PolarHBondContact N-O 2.76Å; L258-L309 PolarHBondContact O-N 3.28Å; L258-I312 HydrophobicContact CB-CD1 4.4Å; L258-I312 HydrophobicContact CD2-CD1 3.97Å; L258-I338 HydrophobicContact CD2-CD1 3.8Å; L258-I338 HydrophobicContact CD2-CG1 4.01Å; L258-I338 HydrophobicContact CD2-CG2 3.68Å
259R94.2Very high93.6Very high139 Ų13942 Ų4253%0.52521%0.213SC..EExtended strand (participates in β ladder)trans-117.9123.7172.7175.9176-69.2172.2-0.1109.1I261 V306 L307 D308R259-I261 HydrophobicContact CG-CD1 4.41Å; R259-I261 HydrophobicContact CG-CG1 3.88Å; R259-V306 HydrophobicContact CG-CG1 3.63Å; R259-L307 WeakPolarHBondContact CA-O 3.42Å; R259-D308 IonicContact CZ-OD1 3.07Å; R259-D308 IonicContact NE-OD1 2.89Å; R259-D308 PolarHBondContact NE-OD1 3.45Å; R259-D308 IonicContact NH2-OD1 3.89Å; R259-D308 PolarHBondContact NH2-OD1 2.56Å; R259-D308 IonicContact NH2-OD2 3.9Å
260L96.3Very high93.8Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-103.8133.3167.1-58.6-178.4000108.7P250 L258 W277 V306 L307 Y321 T336 I338P250-L260 HydrophobicContact CB-CD2 3.74Å; P250-L260 HydrophobicContact CG-CD2 3.9Å; L258-L260 HydrophobicContact CD2-CD2 4.19Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L260-W277 HydrophobicContact CB-CH2 3.92Å; L260-W277 HydrophobicContact CB-CZ2 3.89Å; L260-W277 HydrophobicContact CD1-CH2 4.36Å; L260-W277 HydrophobicContact CD1-CZ3 4.45Å; L260-V306 WeakPolarHBondContact O-CA 3.43Å; L260-L307 HydrophobicContact CB-CB 4.39Å; L260-L307 HydrophobicContact CD1-CD2 4.44Å; L260-L307 PolarHBondContact N-O 2.74Å; L260-L307 PolarHBondContact O-N 3.03Å; L260-Y321 HydrophobicContact CD1-CD1 4.45Å; L260-Y321 HydrophobicContact CD1-CG 4.11Å; L260-T336 HydrophobicContact CD1-CG2 4.33Å; L260-I338 HydrophobicContact CD1-CD1 4.31Å; L260-I338 HydrophobicContact CD1-CG1 4.43Å
261I97.3Very high93.8Very high51 Ų5141.4 Ų41.426%0.26221%0.211SC..EExtended strand (participates in β ladder)trans-118.7118.2179.7-53.3177.1000107.6I245 F246 R259 V263 D304 V306I245-I261 CarbonylContact C-O 3.49Å; I245-I261 WeakPolarHBondContact CA-O 3.45Å; F246-I261 HydrophobicContact CB-CB 4.48Å; F246-I261 PolarHBondContact N-O 3.07Å; F246-I261 PolarHBondContact O-N 2.8Å; R259-I261 HydrophobicContact CG-CD1 4.41Å; R259-I261 HydrophobicContact CG-CG1 3.88Å; I261-V263 HydrophobicContact CG2-CG2 3.95Å; I261-D304 HydrophobicContact CG2-CB 4.17Å; I261-V306 HydrophobicContact CG1-CG1 4.45Å; I261-V306 HydrophobicContact CG1-CG2 4.45Å; I261-V306 HydrophobicContact CG2-CG2 4.34Å
262C97.7Very high93.9Very high0 Ų042.4 Ų42.40%022%0.217CC..EExtended strand (participates in β ladder)trans-97.3105.3170.8174.20000109V243 W277 D304 L305 C323V243-C262 WeakPolarHBondContact CG1-SG 3.44Å; C262-W277 HydrophobicContact CB-CH2 4.13Å; C262-W277 HydrophobicContact CB-CZ2 3.43Å; C262-W277 VanDerWaalsContact CB-CZ2 3.43Å; C262-D304 CarbonylContact O-C 3.56Å; C262-D304 WeakPolarHBondContact O-CA 3.19Å; C262-L305 HydrophobicContact CB-CB 4.22Å; C262-L305 WeakPolarHBondContact CB-O 3.36Å; C262-L305 PolarHBondContact N-O 2.84Å; C262-L305 PolarHBondContact O-N 2.82Å; C262-C323 HydrophobicContact CB-CB 3.56Å; C262-C323 WeakPolarHBondContact CB-SG 3.48Å; C262-C323 WeakPolarHBondContact SG-CB 3.41Å; C262-C323 CovalentContact SG-SG 2.02Å; C262-C323 PolarHBondContact SG-SG 3.05Å
263V97.7Very high94Very high38 Ų3847.3 Ų47.323%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-88.5120.3176.6-177.80000108.2V243 R244 F246 I261 I302V243-V263 WeakPolarHBondContact CA-O 3.24Å; R244-V263 PolarHBondContact N-O 3.35Å; R244-V263 PolarHBondContact O-N 3.35Å; F246-V263 HydrophobicContact CD2-CB 4.5Å; F246-V263 HydrophobicContact CD2-CG2 3.76Å; F246-V263 HydrophobicContact CE2-CB 4.3Å; F246-V263 HydrophobicContact CE2-CG2 3.91Å; I261-V263 HydrophobicContact CG2-CG2 3.95Å; V263-I302 HydrophobicContact CG1-CG2 3.85Å
264I97.9Very high94.4Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-119112.9-174.2-51.2165000107.8P241 I242 V243 V270 C275 I302 R303 L305 A325P241-I264 HydrophobicContact CB-CG2 3.85Å; I242-I264 WeakPolarHBondContact O-CA 3.24Å; V243-I264 HydrophobicContact CG2-CG1 4.21Å; V243-I264 HydrophobicContact CG2-CG2 4.24Å; I264-V270 HydrophobicContact CG2-CB 4.42Å; I264-V270 HydrophobicContact CG2-CG2 3.87Å; I264-C275 HydrophobicContact CD1-CB 3.68Å; I264-I302 CarbonylContact O-C 3.32Å; I264-I302 VanDerWaalsContact O-CA 3.3Å; I264-I302 WeakPolarHBondContact O-CA 3.36Å; I264-R303 HydrophobicContact CB-CB 4.21Å; I264-R303 WeakPolarHBondContact CB-O 3.42Å; I264-R303 HydrophobicContact CD1-CB 4.44Å; I264-R303 PolarHBondContact N-O 2.96Å; I264-R303 PolarHBondContact O-N 2.75Å; I264-L305 HydrophobicContact CD1-CB 4.43Å; I264-A325 HydrophobicContact CD1-CB 3.88Å; I264-A325 HydrophobicContact CG1-CB 4.2Å; I264-A325 HydrophobicContact CG2-CB 3.74Å
265N96.5Very high94.8Very high48 Ų4844.6 Ų44.626%0.25723%0.229SC..EExtended strand (participates in β ladder)trans-102.3121.5170.5-1771.9000109.2H239 P241 I242 I302H239-N265 PolarHBondContact CE1-O 3.33Å; P241-N265 CarbonylContact C-O 3.47Å; P241-N265 WeakPolarHBondContact CA-O 3.5Å; I242-N265 HydrophobicContact CB-CB 4.47Å; I242-N265 PolarHBondContact N-O 3.22Å; I242-N265 PolarHBondContact O-N 2.76Å; N265-I302 HydrophobicContact CB-CG1 4.43Å
266A96.8Very high95.2Very high0 Ų049.5 Ų49.50%024%0.242CC..EExtended strand (participates in β ladder)trans-149.5146.5-178.100000112.6P241 P268 P269 V270 L301P241-A266 HydrophobicContact CB-CB 3.89Å; P241-A266 HydrophobicContact CG-CB 4.06Å; A266-P268 CarbonylContact C-O 3.58Å; A266-P268 WeakPolarHBondContact CB-O 3.4Å; A266-P268 CarbonylContact O-C 3.4Å; A266-P269 WeakPolarHBondContact O-CA 3.07Å; A266-V270 HydrophobicContact CB-CG2 3.7Å; A266-L301 PolarHBondContact N-O 3.11Å; A266-L301 VanDerWaalsContact N-O 3.14Å
267N96.8Very high95.6Very high28 Ų2849.5 Ų49.515%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-137.1110.3169.7-174.921.7000110.2V237 R238 H239 L301V237-N267 WeakPolarHBondContact O-CB 3.36Å; V237-N267 PolarHBondContact O-ND2 3.11Å; R238-N267 CarbonylContact C-O 3.52Å; R238-N267 WeakPolarHBondContact CA-O 3.3Å; R238-N267 WeakPolarHBondContact CB-O 3.27Å; H239-N267 PolarHBondContact N-O 2.6Å; H239-N267 PolarHBondContact O-N 3.24Å; N267-L301 HydrophobicContact CB-CD1 4.28Å; N267-L301 HydrophobicContact CB-CD2 4.29Å
268P96.4Very high95.8Very high47 Ų4748.8 Ų48.831%0.30524%0.237SC..SBendcis-64.4152.54.6-22.834.7000113.3A266 N327A266-P268 CarbonylContact C-O 3.58Å; A266-P268 WeakPolarHBondContact CB-O 3.4Å; A266-P268 CarbonylContact O-C 3.4Å; P268-N327 PolarHBondContact O-ND2 2.77Å
269P96Very high95.8Very high47 Ų4748 Ų4831%0.30523%0.234SC..PPolyproline II helixtrans-60.7144.2178.6-21.431.7000112.4A266 L301A266-P269 WeakPolarHBondContact O-CA 3.07Å; P269-L301 HydrophobicContact CG-CD2 3.79Å
270V96.2Very high95.9Very high3 Ų347.3 Ų47.32%0.01824%0.24CC..PPolyproline II helixtrans-69.2141.5176.8177.60000110.1P241 I264 A266 A274 C275 Y296 R303 A325 N327P241-V270 HydrophobicContact CB-CG2 4.1Å; P241-V270 HydrophobicContact CG-CG2 3.72Å; I264-V270 HydrophobicContact CG2-CB 4.42Å; I264-V270 HydrophobicContact CG2-CG2 3.87Å; A266-V270 HydrophobicContact CB-CG2 3.7Å; V270-A274 HydrophobicContact CG1-CB 4Å; V270-C275 HydrophobicContact CG1-CB 3.95Å; V270-Y296 PolarHBondContact O-OH 2.98Å; V270-R303 PolarHBondContact O-NE 3.12Å; V270-A325 HydrophobicContact CG1-CB 4.49Å; V270-A325 HydrophobicContact CG2-CB 4.37Å; V270-N327 HydrophobicContact CG2-CB 4.45Å
271E93.4Very high95.6Very high126 Ų12653.9 Ų53.959%0.58927%0.265SS*.PPolyproline II helixtrans-88.4154171.2-65.3-167.9-156.800111.1H273 A274E271-H273 PolarHBondContact O-N 3.26Å; E271-H273 VanDerWaalsContact O-N 3.1Å; E271-H273 IonicContact OE2-CE1 2.94Å; E271-H273 PolarHBondContact OE2-CE1 3.46Å; E271-H273 IonicContact OE2-ND1 3.3Å; E271-H273 PolarHBondContact OE2-ND1 3.12Å; E271-A274 WeakPolarHBondContact O-CA 3.45Å; E271-A274 WeakPolarHBondContact O-CB 3.3Å; E271-A274 PolarHBondContact O-N 3.39Å
272Q92.4Very high95.2Very high132 Ų13256.2 Ų56.262%0.61728%0.282SS*.G310 helixtrans-55.2-36.6-175-174.9174.9-5.800113.3A274 C275 Y296Q272-A274 VanDerWaalsContact C-N 3.27Å; Q272-A274 PolarHBondContact O-N 2.79Å; Q272-C275 PolarHBondContact O-SG 3.33Å; Q272-Y296 HydrophobicContact CB-CD1 3.74Å; Q272-Y296 HydrophobicContact CB-CE1 3.61Å; Q272-Y296 HydrophobicContact CB-CE2 4.5Å; Q272-Y296 HydrophobicContact CB-CG 4.2Å; Q272-Y296 HydrophobicContact CG-CD1 3.74Å; Q272-Y296 HydrophobicContact CG-CD2 4.32Å; Q272-Y296 HydrophobicContact CG-CE1 4.14Å; Q272-Y296 HydrophobicContact CG-CG 3.81Å; Q272-Y296 PolarHBondContact N-OH 3.31Å
273H92.9Very high94.9Very high142 Ų14257.6 Ų57.666%0.65730%0.296SS*.G310 helixtrans-77-13.7-179.472.5-95.2000113.4E271E271-H273 PolarHBondContact O-N 3.26Å; E271-H273 VanDerWaalsContact O-N 3.1Å; E271-H273 IonicContact OE2-CE1 2.94Å; E271-H273 PolarHBondContact OE2-CE1 3.46Å; E271-H273 IonicContact OE2-ND1 3.3Å; E271-H273 PolarHBondContact OE2-ND1 3.12Å
274A95.9Very high94.7Very high24 Ų2459 Ų5920%0.19831%0.305CS..G310 helixtrans-98.74.1-178.100000113.1V270 E271 Q272 A325 S326V270-A274 HydrophobicContact CG1-CB 4Å; E271-A274 WeakPolarHBondContact O-CA 3.45Å; E271-A274 WeakPolarHBondContact O-CB 3.3Å; E271-A274 PolarHBondContact O-N 3.39Å; Q272-A274 VanDerWaalsContact C-N 3.27Å; Q272-A274 PolarHBondContact O-N 2.79Å; A274-A325 WeakPolarHBondContact O-CA 3.05Å; A274-S326 WeakPolarHBondContact CB-O 3.34Å; A274-S326 PolarHBondContact O-N 3.31Å
275C96.3Very high94.4Very high9 Ų959.7 Ų59.76%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-124.8144.1168.462.20000111.7I264 V270 Q272 Y296 L305 T324 A325I264-C275 HydrophobicContact CD1-CB 3.68Å; V270-C275 HydrophobicContact CG1-CB 3.95Å; Q272-C275 PolarHBondContact O-SG 3.33Å; C275-Y296 VanDerWaalsContact SG-CE2 3.56Å; C275-L305 HydrophobicContact CB-CD2 4.27Å; C275-T324 CarbonylContact C-O 3.5Å; C275-T324 WeakPolarHBondContact CA-O 3.03Å; C275-A325 HydrophobicContact CB-CB 4.24Å
276R96.3Very high93.9Very high122 Ų12261.4 Ų61.446%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-156156178.167.5-170.591.5178.94111.9I278 T284 T324R276-I278 HydrophobicContact CG-CD1 4.26Å; R276-I278 HydrophobicContact CG-CG1 4.03Å; R276-T284 HydrophobicContact CB-CG2 4.28Å; R276-T284 HydrophobicContact CG-CG2 4.37Å; R276-T324 HydrophobicContact CG-CG2 3.34Å; R276-T324 PolarHBondContact N-O 2.91Å; R276-T324 PolarHBondContact O-N 2.83Å
277W96.4Very high92.6Very high0 Ų065.9 Ų65.90%035%0.352CS..EExtended strand (participates in β ladder)trans-93.1140.8165.2-78102.1000110.4I245 L260 C262 I285 L294 L305 L307 T322 C323I245-W277 HydrophobicContact CB-CH2 4.37Å; I245-W277 HydrophobicContact CD1-CH2 3.69Å; I245-W277 HydrophobicContact CD1-CZ3 3.7Å; I245-W277 HydrophobicContact CG1-CH2 3.72Å; I245-W277 HydrophobicContact CG1-CZ3 4.26Å; I245-W277 HydrophobicContact CG2-CH2 3.76Å; L260-W277 HydrophobicContact CB-CH2 3.92Å; L260-W277 HydrophobicContact CB-CZ2 3.89Å; L260-W277 HydrophobicContact CD1-CH2 4.36Å; L260-W277 HydrophobicContact CD1-CZ3 4.45Å; C262-W277 HydrophobicContact CB-CH2 4.13Å; C262-W277 HydrophobicContact CB-CZ2 3.43Å; C262-W277 VanDerWaalsContact CB-CZ2 3.43Å; W277-I285 HydrophobicContact CB-CB 4.24Å; W277-I285 HydrophobicContact CB-CD1 4.1Å; W277-I285 HydrophobicContact CB-CG1 4.45Å; W277-I285 PolarHBondContact O-N 3.26Å; W277-L294 HydrophobicContact CG-CD2 4.43Å; W277-L305 VanDerWaalsContact CD1-CD2 3.46Å; W277-L305 HydrophobicContact CG-CD2 4.26Å; W277-L305 PolarHBondContact NE1-O 2.86Å; W277-L307 HydrophobicContact CB-CD2 4.37Å; W277-L307 HydrophobicContact CD2-CB 4.35Å; W277-L307 HydrophobicContact CD2-CD2 4.21Å; W277-L307 HydrophobicContact CG-CB 4.21Å; W277-L307 HydrophobicContact CG-CD2 4.15Å; W277-T322 CarbonylContact C-O 3.59Å; W277-T322 WeakPolarHBondContact CA-O 3.13Å; W277-C323 HydrophobicContact CD2-CB 4.06Å; W277-C323 HydrophobicContact CE3-CB 3.88Å; W277-C323 HydrophobicContact CH2-CB 4.01Å; W277-C323 HydrophobicContact CZ2-CB 4.18Å; W277-C323 HydrophobicContact CZ3-CB 3.84Å
278I95.4Very high91.4Very high52 Ų5267.7 Ų67.727%0.26738%0.377SS..EExtended strand (participates in β ladder)trans-130.8123.2179.3-53.8175.2000107.6R276 G283 Y321 T322 T324R276-I278 HydrophobicContact CG-CD1 4.26Å; R276-I278 HydrophobicContact CG-CG1 4.03Å; I278-G283 CarbonylContact C-O 3.6Å; I278-G283 WeakPolarHBondContact CA-O 3.44Å; I278-Y321 CarbonylContact O-C 3.59Å; I278-Y321 WeakPolarHBondContact O-CA 3.09Å; I278-T322 PolarHBondContact N-O 2.93Å; I278-T322 PolarHBondContact O-N 2.82Å; I278-T324 HydrophobicContact CD1-CG2 3.82Å; I278-T324 HydrophobicContact CG1-CG2 4.45Å
279S93.8Very high90.3Very high1 Ų167.7 Ų67.71%0.00738%0.378CS..EExtended strand (participates in β ladder)trans-90.9136.9168.1142.50000108.6R281 T282 G283 D319S279-R281 PolarHBondContact O-N 2.84Å; S279-R281 PolarHBondContact OG-N 2.94Å; S279-T282 WeakPolarHBondContact CB-OG1 3.46Å; S279-T282 PolarHBondContact OG-N 3.01Å; S279-T282 PolarHBondContact OG-OG1 2.87Å; S279-G283 PolarHBondContact N-O 3.21Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.49Å; S279-G283 PolarHBondContact O-N 3.3Å; S279-D319 WeakPolarHBondContact CB-OD2 3.27Å; S279-D319 PolarHBondContact OG-OD2 2.9Å
280N94.7Very high89.4Confident123 Ų12371.4 Ų71.466%0.65840%0.4SS*.THydrogen-bonded Turntrans-65.5-30.4179-170.836.8000112D319 L320N280-D319 WeakPolarHBondContact CB-OD1 3.2Å; N280-D319 PolarHBondContact N-OD1 3.02Å; N280-L320 HydrophobicContact CB-CB 4.03Å; N280-L320 PolarHBondContact N-O 2.88Å
281R91.7Very high88.8Confident138 Ų13872.6 Ų72.652%0.52141%0.412SS..THydrogen-bonded Turntrans-81.8-38178.2-68177.1-170.5179.56.2113.9S279 L315 F317 G318 D319S279-R281 PolarHBondContact O-N 2.84Å; S279-R281 PolarHBondContact OG-N 2.94Å; R281-L315 PolarHBondContact NH1-O 2.95Å; R281-F317 PolarHBondContact NH1-O 3.43Å; R281-F317 PolarHBondContact NH2-O 3.07Å; R281-F317 VanDerWaalsContact NH2-O 3.11Å; R281-G318 VanDerWaalsContact NH2-C 3.35Å; R281-G318 PolarHBondContact NH2-O 2.74Å; R281-G318 VanDerWaalsContact NH2-O 3.17Å; R281-D319 HydrophobicContact CG-CB 4.42Å; R281-D319 WeakPolarHBondContact CG-OD1 3.37Å; R281-D319 PolarHBondContact N-OD1 2.94Å
282T88.2Confident88.6Confident100 Ų10068 Ų6861%0.61339%0.393SS*.THydrogen-bonded Turntrans-112.7-8.8-169.562.80000114.3S279S279-T282 WeakPolarHBondContact CB-OG1 3.46Å; S279-T282 PolarHBondContact OG-N 3.01Å; S279-T282 PolarHBondContact OG-OG1 2.87Å
283G92.1Very high88.6Confident29 Ų2968.3 Ų68.330%0.29939%0.389SS..EExtended strand (participates in β ladder)trans83.3-148.4-178.600000112.9I278 S279 I285I278-G283 CarbonylContact C-O 3.6Å; I278-G283 WeakPolarHBondContact CA-O 3.44Å; S279-G283 PolarHBondContact N-O 3.21Å; S279-G283 VanDerWaalsContact O-CA 3.25Å; S279-G283 WeakPolarHBondContact O-CA 3.49Å; S279-G283 PolarHBondContact O-N 3.3Å; G283-I285 PolarHBondContact O-N 3.17Å
284T92.7Very high88.6Confident69 Ų6963.4 Ų63.442%0.42337%0.367SS..EExtended strand (participates in β ladder)trans-67.9125.4-177.2-60.60000110.5R276R276-T284 HydrophobicContact CB-CG2 4.28Å; R276-T284 HydrophobicContact CG-CG2 4.37Å
285I90.8Very high88.5Confident13 Ų1363.7 Ų63.77%0.06737%0.367CS..  trans-80.7122.3178.4-56.3178.7000108.2W277 G283 L294 L307 Y321W277-I285 HydrophobicContact CB-CB 4.24Å; W277-I285 HydrophobicContact CB-CD1 4.1Å; W277-I285 HydrophobicContact CB-CG1 4.45Å; W277-I285 PolarHBondContact O-N 3.26Å; G283-I285 PolarHBondContact O-N 3.17Å; I285-L294 HydrophobicContact CG2-CD1 4.38Å; I285-L294 WeakPolarHBondContact O-CD1 3.19Å; I285-L307 HydrophobicContact CD1-CD2 3.7Å; I285-L307 HydrophobicContact CG2-CD1 4.09Å; I285-Y321 HydrophobicContact CD1-CD1 3.68Å; I285-Y321 HydrophobicContact CD1-CE1 3.59Å
286T85.9Confident88.4Confident85 Ų8565 Ų6552%0.52137%0.37SS..  trans-111147.1177.857.70000111.1G288 S289T286-G288 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-OG 2.89Å; T286-S289 PolarHBondContact OG1-OG 2.89Å
287S69.6Low88.3Confident93 Ų9363.3 Ų63.365%0.6537%0.37SS*.THydrogen-bonded Turntrans-61.9122.4177-167.80000109.2
288G71.7Confident88.2Confident66 Ų6668.2 Ų68.268%0.6840%0.396SS*.THydrogen-bonded Turntrans113-11.3-17400000114.8T286 V290T286-G288 PolarHBondContact O-N 3.34Å; G288-V290 PolarHBondContact O-N 2.77Å
289S73.6Confident87.9Confident47 Ų4769 Ų6933%0.32941%0.41SS..SBendtrans-61132.1171-48.80000109.8T286 G291 T292T286-S289 PolarHBondContact O-N 3.34Å; T286-S289 PolarHBondContact O-OG 2.89Å; T286-S289 PolarHBondContact OG1-OG 2.89Å; S289-G291 PolarHBondContact O-N 2.86Å; S289-G291 VanDerWaalsContact O-N 3.11Å; S289-T292 WeakPolarHBondContact CB-OG1 3.23Å; S289-T292 PolarHBondContact O-N 2.95Å; S289-T292 PolarHBondContact O-OG1 3.46Å
290V77.3Confident87.6Confident126 Ų12671.9 Ų71.976%0.76444%0.441SS*.THydrogen-bonded Turntrans-58.1114.1-168.1179.90000112.2G288 K313G288-V290 PolarHBondContact O-N 2.77Å; V290-K313 PolarHBondContact O-NZ 3.3Å
291G83Confident87.5Confident27 Ų2769.6 Ų69.628%0.27843%0.428SS..THydrogen-bonded Turntrans896.818000000114.3S289 T310S289-G291 PolarHBondContact O-N 2.86Å; S289-G291 VanDerWaalsContact O-N 3.11Å; G291-T310 PolarHBondContact O-N 2.85Å
292T89.4Confident87.7Confident31 Ų3166.5 Ų66.519%0.1942%0.421CS..EExtended strand (participates in β ladder)trans-115.6145.5175.372.30000110.9S289 D308 L309S289-T292 WeakPolarHBondContact CB-OG1 3.23Å; S289-T292 PolarHBondContact O-N 2.95Å; S289-T292 PolarHBondContact O-OG1 3.46Å; T292-D308 CarbonylContact C-O 3.52Å; T292-D308 VanDerWaalsContact CA-O 3.31Å; T292-D308 WeakPolarHBondContact CA-O 3.3Å; T292-L309 HydrophobicContact CG2-CD2 3.86Å
293R92Very high88.1Confident138 Ų13863.3 Ų63.352%0.52140%0.398SS..EExtended strand (participates in β ladder)trans-136.3128.6170.5176.6178.5-179.6-97.1-3109.4T295 D308R293-T295 PolarHBondContact NH1-OG1 2.86Å; R293-T295 VanDerWaalsContact NH1-OG1 3.08Å; R293-D308 HydrophobicContact CB-CB 4.2Å; R293-D308 PolarHBondContact N-O 3.32Å; R293-D308 IonicContact NH1-OD2 3.74Å; R293-D308 PolarHBondContact NH1-OD2 2.83Å; R293-D308 PolarHBondContact O-N 2.85Å
294L94Very high88.3Confident38 Ų3864.1 Ų64.120%0.19940%0.395CS..EExtended strand (participates in β ladder)trans-101.6130.2174.2-70.6173.1000109.7W277 I285 V306 L307W277-L294 HydrophobicContact CG-CD2 4.43Å; I285-L294 HydrophobicContact CG2-CD1 4.38Å; I285-L294 WeakPolarHBondContact O-CD1 3.19Å; L294-V306 CarbonylContact C-O 3.54Å; L294-V306 VanDerWaalsContact CA-O 3.32Å; L294-V306 WeakPolarHBondContact CA-O 3.48Å; L294-L307 HydrophobicContact CD2-CB 4.07Å; L294-L307 HydrophobicContact CD2-CD1 3.86Å
295T94Very high88.5Confident31 Ų3161.3 Ų61.319%0.1938%0.378CS..EExtended strand (participates in β ladder)trans-126.2131.2173.4-50.90000109.2R293 L297 V306R293-T295 PolarHBondContact NH1-OG1 2.86Å; R293-T295 VanDerWaalsContact NH1-OG1 3.08Å; T295-L297 HydrophobicContact CG2-CD2 3.86Å; T295-L297 HydrophobicContact CG2-CG 4.28Å; T295-V306 PolarHBondContact N-O 2.81Å; T295-V306 PolarHBondContact O-N 2.8Å
296Y94Very high88.7Confident36 Ų3661.1 Ų61.114%0.14138%0.377CS..EExtended strand (participates in β ladder)trans-110.5122.5177.9-179.3-110000109.4V270 Q272 C275 N298 R303 D304 L305V270-Y296 PolarHBondContact O-OH 2.98Å; Q272-Y296 HydrophobicContact CB-CD1 3.74Å; Q272-Y296 HydrophobicContact CB-CE1 3.61Å; Q272-Y296 HydrophobicContact CB-CE2 4.5Å; Q272-Y296 HydrophobicContact CB-CG 4.2Å; Q272-Y296 HydrophobicContact CG-CD1 3.74Å; Q272-Y296 HydrophobicContact CG-CD2 4.32Å; Q272-Y296 HydrophobicContact CG-CE1 4.14Å; Q272-Y296 HydrophobicContact CG-CG 3.81Å; Q272-Y296 PolarHBondContact N-OH 3.31Å; C275-Y296 VanDerWaalsContact SG-CE2 3.56Å; Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.44Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.21Å; Y296-N298 VanDerWaalsContact CZ-OD1 3.23Å; Y296-R303 HydrophobicContact CE2-CB 3.82Å; Y296-R303 HydrophobicContact CE2-CG 4.07Å; Y296-R303 WeakPolarHBondContact OH-CD 3.21Å; Y296-R303 WeakPolarHBondContact OH-CG 3.41Å; Y296-R303 PolarHBondContact OH-NE 3.41Å; Y296-R303 VanDerWaalsContact OH-NE 3.16Å; Y296-D304 WeakPolarHBondContact CA-O 3.37Å; Y296-L305 HydrophobicContact CD2-CD1 4.35Å
297L95.1Very high89.2Confident87 Ų8757.1 Ų57.146%0.45535%0.352SS..EExtended strand (participates in β ladder)trans-118.7142.1-178-54.1174.7000110.6T295 R303 D304 V306T295-L297 HydrophobicContact CG2-CD2 3.86Å; T295-L297 HydrophobicContact CG2-CG 4.28Å; L297-R303 VanDerWaalsContact O-CA 3.32Å; L297-R303 WeakPolarHBondContact O-CA 3.22Å; L297-D304 HydrophobicContact CB-CB 4.2Å; L297-D304 HydrophobicContact CD1-CB 4.43Å; L297-D304 PolarHBondContact N-O 2.92Å; L297-D304 PolarHBondContact O-N 2.77Å; L297-V306 HydrophobicContact CD1-CG2 4.36Å
298N92.4Very high90.3Very high102 Ų10253.3 Ų53.355%0.54533%0.325SS..EExtended strand (participates in β ladder)trans-121.5124.6-173.1-60.6-17.3000111.5Y296 R303Y296-N298 VanDerWaalsContact CD1-OD1 3.28Å; Y296-N298 WeakPolarHBondContact CD1-OD1 3.44Å; Y296-N298 WeakPolarHBondContact CE1-OD1 3.21Å; Y296-N298 VanDerWaalsContact CZ-OD1 3.23Å; N298-R303 WeakPolarHBondContact OD1-CD 3.05Å; N298-R303 PolarHBondContact OD1-NE 2.52Å
299A89.1Confident91.3Very high68 Ų6850.3 Ų50.356%0.56229%0.293SS*.EExtended strand (participates in β ladder)trans-143.493.3173.300000111.1L301 I302A299-L301 PolarHBondContact O-N 2.9Å; A299-L301 VanDerWaalsContact O-N 3.13Å; A299-I302 CarbonylContact C-O 3.59Å; A299-I302 PolarHBondContact N-O 2.78Å; A299-I302 PolarHBondContact O-N 2.65Å
300G89.4Confident92Very high63 Ų6351 Ų5165%0.64930%0.295SS*.THydrogen-bonded Turntrans64.2-112.6177.400000112.7R303G300-R303 PolarHBondContact O-NH1 3.07Å; G300-R303 PolarHBondContact O-NH2 2.87Å
301L92.6Very high92.6Very high75 Ų7547.9 Ų47.939%0.39328%0.278SS..THydrogen-bonded Turntrans-90.7-9.2174.8-59.7-177.4000113.4A266 N267 P269 A299A266-L301 PolarHBondContact N-O 3.11Å; A266-L301 VanDerWaalsContact N-O 3.14Å; N267-L301 HydrophobicContact CB-CD1 4.28Å; N267-L301 HydrophobicContact CB-CD2 4.29Å; P269-L301 HydrophobicContact CG-CD2 3.79Å; A299-L301 PolarHBondContact O-N 2.9Å; A299-L301 VanDerWaalsContact O-N 3.13Å
302I94.7Very high92.9Very high72 Ų7246.7 Ų46.737%0.36927%0.265SS..EExtended strand (participates in β ladder)trans-97139-178-59.8172.7000109.7V263 I264 N265 A299V263-I302 HydrophobicContact CG1-CG2 3.85Å; I264-I302 CarbonylContact O-C 3.32Å; I264-I302 VanDerWaalsContact O-CA 3.3Å; I264-I302 WeakPolarHBondContact O-CA 3.36Å; N265-I302 HydrophobicContact CB-CG1 4.43Å; A299-I302 CarbonylContact C-O 3.59Å; A299-I302 PolarHBondContact N-O 2.78Å; A299-I302 PolarHBondContact O-N 2.65Å
303R96.1Very high92.9Very high33 Ų3349.3 Ų49.313%0.12527%0.274CS..EExtended strand (participates in β ladder)trans-126.9135.7170.6-55.9-64.3-177.1-96.93.8109.4I264 V270 Y296 L297 N298 G300I264-R303 HydrophobicContact CB-CB 4.21Å; I264-R303 WeakPolarHBondContact CB-O 3.42Å; I264-R303 HydrophobicContact CD1-CB 4.44Å; I264-R303 PolarHBondContact N-O 2.96Å; I264-R303 PolarHBondContact O-N 2.75Å; V270-R303 PolarHBondContact O-NE 3.12Å; Y296-R303 HydrophobicContact CE2-CB 3.82Å; Y296-R303 HydrophobicContact CE2-CG 4.07Å; Y296-R303 WeakPolarHBondContact OH-CD 3.21Å; Y296-R303 WeakPolarHBondContact OH-CG 3.41Å; Y296-R303 PolarHBondContact OH-NE 3.41Å; Y296-R303 VanDerWaalsContact OH-NE 3.16Å; L297-R303 VanDerWaalsContact O-CA 3.32Å; L297-R303 WeakPolarHBondContact O-CA 3.22Å; N298-R303 WeakPolarHBondContact OD1-CD 3.05Å; N298-R303 PolarHBondContact OD1-NE 2.52Å; G300-R303 PolarHBondContact O-NH1 3.07Å; G300-R303 PolarHBondContact O-NH2 2.87Å
304D96.7Very high92.8Very high46 Ų4647.5 Ų47.525%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-109.7119.2170.7-61.6-17000109.3I261 C262 Y296 L297 V306I261-D304 HydrophobicContact CG2-CB 4.17Å; C262-D304 CarbonylContact O-C 3.56Å; C262-D304 WeakPolarHBondContact O-CA 3.19Å; Y296-D304 WeakPolarHBondContact CA-O 3.37Å; L297-D304 HydrophobicContact CB-CB 4.2Å; L297-D304 HydrophobicContact CD1-CB 4.43Å; L297-D304 PolarHBondContact N-O 2.92Å; L297-D304 PolarHBondContact O-N 2.77Å; D304-V306 HydrophobicContact CB-CG2 4.34Å
305L96.5Very high92.6Very high10 Ų1049.8 Ų49.85%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-100.599.3169.5-175.567000108.9C262 I264 C275 W277 Y296C262-L305 HydrophobicContact CB-CB 4.22Å; C262-L305 WeakPolarHBondContact CB-O 3.36Å; C262-L305 PolarHBondContact N-O 2.84Å; C262-L305 PolarHBondContact O-N 2.82Å; I264-L305 HydrophobicContact CD1-CB 4.43Å; C275-L305 HydrophobicContact CB-CD2 4.27Å; W277-L305 VanDerWaalsContact CD1-CD2 3.46Å; W277-L305 HydrophobicContact CG-CD2 4.26Å; W277-L305 PolarHBondContact NE1-O 2.86Å; Y296-L305 HydrophobicContact CD2-CD1 4.35Å
306V96.1Very high92.5Very high10 Ų1049.1 Ų49.16%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-91.2126.4-175.7-1750000110R259 L260 I261 L294 T295 L297 D304R259-V306 HydrophobicContact CG-CG1 3.63Å; L260-V306 WeakPolarHBondContact O-CA 3.43Å; I261-V306 HydrophobicContact CG1-CG1 4.45Å; I261-V306 HydrophobicContact CG1-CG2 4.45Å; I261-V306 HydrophobicContact CG2-CG2 4.34Å; L294-V306 CarbonylContact C-O 3.54Å; L294-V306 VanDerWaalsContact CA-O 3.32Å; L294-V306 WeakPolarHBondContact CA-O 3.48Å; T295-V306 PolarHBondContact N-O 2.81Å; T295-V306 PolarHBondContact O-N 2.8Å; L297-V306 HydrophobicContact CD1-CG2 4.36Å; D304-V306 HydrophobicContact CB-CG2 4.34Å
307L95.4Very high92.5Very high0 Ų048.1 Ų48.10%028%0.282CS..EExtended strand (participates in β ladder)trans-109109.4170.5172.761000109.1R259 L260 W277 I285 L294 L309 Y321R259-L307 WeakPolarHBondContact CA-O 3.42Å; L260-L307 HydrophobicContact CB-CB 4.39Å; L260-L307 HydrophobicContact CD1-CD2 4.44Å; L260-L307 PolarHBondContact N-O 2.74Å; L260-L307 PolarHBondContact O-N 3.03Å; W277-L307 HydrophobicContact CB-CD2 4.37Å; W277-L307 HydrophobicContact CD2-CB 4.35Å; W277-L307 HydrophobicContact CD2-CD2 4.21Å; W277-L307 HydrophobicContact CG-CB 4.21Å; W277-L307 HydrophobicContact CG-CD2 4.15Å; I285-L307 HydrophobicContact CD1-CD2 3.7Å; I285-L307 HydrophobicContact CG2-CD1 4.09Å; L294-L307 HydrophobicContact CD2-CB 4.07Å; L294-L307 HydrophobicContact CD2-CD1 3.86Å; L307-L309 HydrophobicContact CD1-CD2 4.05Å; L307-L309 HydrophobicContact CD2-CD2 4.34Å; L307-L309 HydrophobicContact CG-CD2 4.12Å; L307-L309 HydrophobicContact CG-CG 4.38Å; L307-Y321 HydrophobicContact CD2-CD1 3.74Å; L307-Y321 HydrophobicContact CD2-CE1 3.97Å
308D93.4Very high92.4Very high13 Ų1345.9 Ų45.97%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-91.7125.6169.8-65.3-54.4000109.2R259 T292 R293 T310R259-D308 IonicContact CZ-OD1 3.07Å; R259-D308 IonicContact NE-OD1 2.89Å; R259-D308 PolarHBondContact NE-OD1 3.45Å; R259-D308 IonicContact NH2-OD1 3.89Å; R259-D308 PolarHBondContact NH2-OD1 2.56Å; R259-D308 IonicContact NH2-OD2 3.9Å; T292-D308 CarbonylContact C-O 3.52Å; T292-D308 VanDerWaalsContact CA-O 3.31Å; T292-D308 WeakPolarHBondContact CA-O 3.3Å; R293-D308 HydrophobicContact CB-CB 4.2Å; R293-D308 PolarHBondContact N-O 3.32Å; R293-D308 IonicContact NH1-OD2 3.74Å; R293-D308 PolarHBondContact NH1-OD2 2.83Å; R293-D308 PolarHBondContact O-N 2.85Å; D308-T310 HydrophobicContact CB-CG2 4.29Å
309L92.2Very high92.5Very high3 Ų341.1 Ų41.12%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-106.3107.9170.2-58.9178.4000108.4N257 L258 T292 L307 I338N257-L309 WeakPolarHBondContact CA-O 3.37Å; L258-L309 HydrophobicContact CB-CB 4.46Å; L258-L309 PolarHBondContact N-O 2.76Å; L258-L309 PolarHBondContact O-N 3.28Å; T292-L309 HydrophobicContact CG2-CD2 3.86Å; L307-L309 HydrophobicContact CD1-CD2 4.05Å; L307-L309 HydrophobicContact CD2-CD2 4.34Å; L307-L309 HydrophobicContact CG-CD2 4.12Å; L307-L309 HydrophobicContact CG-CG 4.38Å; L309-I338 HydrophobicContact CD1-CD1 3.61Å
310T89.7Confident92.8Very high61 Ų6141 Ų4137%0.37424%0.244SC..SBendtrans-136.198.9-171.860.20000112N257 G291 D308N257-T310 HydrophobicContact CB-CG2 4.01Å; N257-T310 WeakPolarHBondContact OD1-CA 3.42Å; N257-T310 WeakPolarHBondContact OD1-CB 3.42Å; G291-T310 PolarHBondContact O-N 2.85Å; D308-T310 HydrophobicContact CB-CG2 4.29Å
311P89.1Confident93.1Very high62 Ų6238.3 Ų38.340%0.40321%0.214SC..SBendcis-84.3162.7-10.835.5-34.1000112.4
312I90Very high93.4Very high2 Ų236.1 Ų36.11%0.0120%0.204CC..  trans-64.6136.8166.3-161171.1000110.3Q252 K253 G255 C256 L258 D316 F317 I338Q252-I312 HydrophobicContact CB-CD1 4.36Å; Q252-I312 HydrophobicContact CG-CG2 4.23Å; K253-I312 WeakPolarHBondContact O-CG2 3.12Å; G255-I312 PolarHBondContact N-O 3.16Å; C256-I312 VanDerWaalsContact O-CG2 3.23Å; C256-I312 WeakPolarHBondContact O-CG2 3.41Å; C256-I312 PolarHBondContact O-N 2.97Å; L258-I312 HydrophobicContact CB-CD1 4.4Å; L258-I312 HydrophobicContact CD2-CD1 3.97Å; I312-D316 HydrophobicContact CD1-CB 4.28Å; I312-D316 HydrophobicContact CG1-CB 3.71Å; I312-F317 HydrophobicContact CD1-CD1 4.14Å; I312-F317 HydrophobicContact CD1-CE1 3.43Å; I312-F317 VanDerWaalsContact CD1-CE1 3.43Å; I312-F317 HydrophobicContact CD1-CZ 3.69Å; I312-F317 HydrophobicContact CG1-CE1 4.24Å; I312-F317 HydrophobicContact CG1-CZ 4.05Å; I312-F317 HydrophobicContact CG2-CZ 3.84Å; I312-I338 HydrophobicContact CD1-CD1 4.33Å; I312-I338 HydrophobicContact CD1-CG2 3.66Å
313K89.6Confident93.5Very high85 Ų8532.7 Ų32.737%0.3719%0.187SC..  trans-106.6158-178.6-59.3172.3-166.7166.30109.5V290 L315 D316V290-K313 PolarHBondContact O-NZ 3.3Å; K313-L315 HydrophobicContact CB-CG 4.39Å; K313-L315 HydrophobicContact CD-CD2 4.42Å; K313-L315 PolarHBondContact O-N 3.13Å; K313-D316 PolarHBondContact N-OD2 3.21Å; K313-D316 WeakPolarHBondContact O-CB 3.42Å; K313-D316 PolarHBondContact O-N 3.38Å
314T89.6Confident93.6Very high100 Ų10032 Ų3261%0.61319%0.186SC*.G310 helixtrans-55.6-29.5177.3-46.90000112.9S254 D316S254-T314 PolarHBondContact OG-OG1 2.9Å; T314-D316 VanDerWaalsContact C-N 3.31Å; T314-D316 PolarHBondContact O-N 3.07Å
315L89.8Confident93.7Very high86 Ų8629.9 Ų29.945%0.4517%0.174SC..G310 helixtrans-72.9-18.9177.885.990.4000114.2R281 K313 F317R281-L315 PolarHBondContact NH1-O 2.95Å; K313-L315 HydrophobicContact CB-CG 4.39Å; K313-L315 HydrophobicContact CD-CD2 4.42Å; K313-L315 PolarHBondContact O-N 3.13Å; L315-F317 VanDerWaalsContact C-N 3.31Å
316D91.7Very high93.8Very high17 Ų1731 Ų319%0.09118%0.184CC..G310 helixtrans-78-21.7-178.7-58.4-39.5000111I312 K313 T314 D319 Y321I312-D316 HydrophobicContact CD1-CB 4.28Å; I312-D316 HydrophobicContact CG1-CB 3.71Å; K313-D316 PolarHBondContact N-OD2 3.21Å; K313-D316 WeakPolarHBondContact O-CB 3.42Å; K313-D316 PolarHBondContact O-N 3.38Å; T314-D316 VanDerWaalsContact C-N 3.31Å; T314-D316 PolarHBondContact O-N 3.07Å; D316-D319 WeakPolarHBondContact O-CB 2.99Å; D316-D319 PolarHBondContact O-N 2.66Å; D316-Y321 PolarHBondContact OD1-OH 2Å
317F93.5Very high93.8Very high16 Ų1631.6 Ų31.67%0.0719%0.186CC..THydrogen-bonded Turntrans-71.9136.4176.9-60.1-61.3000112.3Q252 R281 I312 L315 D319 I338 E340Q252-F317 WeakPolarHBondContact O-CE1 3.41Å; Q252-F317 WeakPolarHBondContact O-CZ 2.95Å; R281-F317 PolarHBondContact NH1-O 3.43Å; R281-F317 PolarHBondContact NH2-O 3.07Å; R281-F317 VanDerWaalsContact NH2-O 3.11Å; I312-F317 HydrophobicContact CD1-CD1 4.14Å; I312-F317 HydrophobicContact CD1-CE1 3.43Å; I312-F317 VanDerWaalsContact CD1-CE1 3.43Å; I312-F317 HydrophobicContact CD1-CZ 3.69Å; I312-F317 HydrophobicContact CG1-CE1 4.24Å; I312-F317 HydrophobicContact CG1-CZ 4.05Å; I312-F317 HydrophobicContact CG2-CZ 3.84Å; L315-F317 VanDerWaalsContact C-N 3.31Å; F317-D319 PolarHBondContact O-N 2.84Å; F317-I338 HydrophobicContact CD1-CG2 3.96Å; F317-I338 HydrophobicContact CE1-CG2 4.1Å; F317-E340 HydrophobicContact CB-CB 4.31Å; F317-E340 HydrophobicContact CD1-CB 3.75Å; F317-E340 HydrophobicContact CD1-CG 4.35Å; F317-E340 HydrophobicContact CD2-CB 4.2Å; F317-E340 HydrophobicContact CD2-CG 4.19Å; F317-E340 HydrophobicContact CE1-CB 4.1Å; F317-E340 HydrophobicContact CE1-CG 4.31Å; F317-E340 HydrophobicContact CE2-CG 4.17Å; F317-E340 HydrophobicContact CG-CB 3.82Å; F317-E340 HydrophobicContact CG-CG 4.31Å; F317-E340 HydrophobicContact CZ-CB 4.5Å; F317-E340 HydrophobicContact CZ-CG 4.24Å
318G92.7Very high93.9Very high39 Ų3936.5 Ų36.540%0.40222%0.22SC..THydrogen-bonded Turntrans67.311.9-174.600000113.8R281 I338R281-G318 VanDerWaalsContact NH2-C 3.35Å; R281-G318 PolarHBondContact NH2-O 2.74Å; R281-G318 VanDerWaalsContact NH2-O 3.17Å; G318-I338 PolarHBondContact N-O 3.35Å
319D94.5Very high94Very high2 Ų239.2 Ų39.21%0.01123%0.234CC..  trans-88.1149.6168.2-165.615.2000110.5S279 N280 R281 D316 F317 Y321 M337 I338S279-D319 WeakPolarHBondContact CB-OD2 3.27Å; S279-D319 PolarHBondContact OG-OD2 2.9Å; N280-D319 WeakPolarHBondContact CB-OD1 3.2Å; N280-D319 PolarHBondContact N-OD1 3.02Å; R281-D319 HydrophobicContact CG-CB 4.42Å; R281-D319 WeakPolarHBondContact CG-OD1 3.37Å; R281-D319 PolarHBondContact N-OD1 2.94Å; D316-D319 WeakPolarHBondContact O-CB 2.99Å; D316-D319 PolarHBondContact O-N 2.66Å; F317-D319 PolarHBondContact O-N 2.84Å; D319-Y321 HydrophobicContact CB-CE2 3.9Å; D319-M337 WeakPolarHBondContact O-CA 3.27Å; D319-I338 PolarHBondContact O-N 2.92Å
320L96.2Very high94.2Very high67 Ų6740.2 Ų40.235%0.35125%0.246SC..EExtended strand (participates in β ladder)trans-99.2118.5179.2-66.5174.4000109.3N280 T335 T336 M337N280-L320 HydrophobicContact CB-CB 4.03Å; N280-L320 PolarHBondContact N-O 2.88Å; L320-T335 HydrophobicContact CB-CG2 3.87Å; L320-T335 HydrophobicContact CD2-CG2 4.11Å; L320-T335 HydrophobicContact CG-CG2 4.45Å; L320-T336 WeakPolarHBondContact CA-O 3.18Å; L320-M337 HydrophobicContact CD2-CB 3.68Å; L320-M337 HydrophobicContact CD2-CG 4.01Å; L320-M337 HydrophobicContact CD2-SD 4.24Å
321Y95.9Very high94.6Very high5 Ų541.8 Ų41.82%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-102.2114.7176.4-70.2-99.4000109.2L260 I278 I285 L307 D316 D319 T335 T336 I338L260-Y321 HydrophobicContact CD1-CD1 4.45Å; L260-Y321 HydrophobicContact CD1-CG 4.11Å; I278-Y321 CarbonylContact O-C 3.59Å; I278-Y321 WeakPolarHBondContact O-CA 3.09Å; I285-Y321 HydrophobicContact CD1-CD1 3.68Å; I285-Y321 HydrophobicContact CD1-CE1 3.59Å; L307-Y321 HydrophobicContact CD2-CD1 3.74Å; L307-Y321 HydrophobicContact CD2-CE1 3.97Å; D316-Y321 PolarHBondContact OD1-OH 2Å; D319-Y321 HydrophobicContact CB-CE2 3.9Å; Y321-T335 WeakPolarHBondContact O-CA 3.13Å; Y321-T336 PolarHBondContact N-O 2.91Å; Y321-T336 PolarHBondContact O-N 2.95Å; Y321-I338 HydrophobicContact CD2-CD1 3.65Å; Y321-I338 HydrophobicContact CD2-CG1 3.85Å; Y321-I338 HydrophobicContact CE2-CD1 3.22Å; Y321-I338 HydrophobicContact CE2-CG1 3.83Å
322T97.9Very high95Very high30 Ų3042.4 Ų42.418%0.18425%0.254CS..EExtended strand (participates in β ladder)trans-104.6122179.8-53.10000109.5W277 I278 A334 T335W277-T322 CarbonylContact C-O 3.59Å; W277-T322 WeakPolarHBondContact CA-O 3.13Å; I278-T322 PolarHBondContact N-O 2.93Å; I278-T322 PolarHBondContact O-N 2.82Å; T322-A334 CarbonylContact C-O 3.55Å; T322-A334 VanDerWaalsContact CA-O 3.27Å; T322-A334 WeakPolarHBondContact CA-O 3.31Å; T322-T335 PolarHBondContact OG1-OG1 2.88Å
323C98.1Very high95.4Very high0 Ų045.2 Ų45.20%027%0.274CS..EExtended strand (participates in β ladder)trans-94.3121.1166.1-176.90000108.8V243 I245 C262 W277 S333 A334V243-C323 HydrophobicContact CG1-CB 4.22Å; I245-C323 HydrophobicContact CD1-CB 4.13Å; I245-C323 HydrophobicContact CG1-CB 4.29Å; C262-C323 HydrophobicContact CB-CB 3.56Å; C262-C323 WeakPolarHBondContact CB-SG 3.48Å; C262-C323 WeakPolarHBondContact SG-CB 3.41Å; C262-C323 CovalentContact SG-SG 2.02Å; C262-C323 PolarHBondContact SG-SG 3.05Å; W277-C323 HydrophobicContact CD2-CB 4.06Å; W277-C323 HydrophobicContact CE3-CB 3.88Å; W277-C323 HydrophobicContact CH2-CB 4.01Å; W277-C323 HydrophobicContact CZ2-CB 4.18Å; W277-C323 HydrophobicContact CZ3-CB 3.84Å; C323-S333 CarbonylContact O-C 3.6Å; C323-S333 VanDerWaalsContact O-CA 3.23Å; C323-S333 WeakPolarHBondContact O-CA 3.43Å; C323-A334 PolarHBondContact N-O 2.92Å; C323-A334 PolarHBondContact O-N 3.07Å
324T97.9Very high95.8Very high19 Ų1942.2 Ų42.212%0.11727%0.266CS..EExtended strand (participates in β ladder)trans-112.5140.9175.3-175.20000110.3C275 R276 I278 I332 S333C275-T324 CarbonylContact C-O 3.5Å; C275-T324 WeakPolarHBondContact CA-O 3.03Å; R276-T324 HydrophobicContact CG-CG2 3.34Å; R276-T324 PolarHBondContact N-O 2.91Å; R276-T324 PolarHBondContact O-N 2.83Å; I278-T324 HydrophobicContact CD1-CG2 3.82Å; I278-T324 HydrophobicContact CG1-CG2 4.45Å; T324-I332 WeakPolarHBondContact CA-O 3.34Å; T324-I332 PolarHBondContact OG1-O 2.95Å; T324-S333 WeakPolarHBondContact CB-OG 3.12Å; T324-S333 PolarHBondContact OG1-OG 3.23Å; T324-S333 VanDerWaalsContact OG1-OG 3.08Å
325A98.1Very high96.2Very high0 Ų041.3 Ų41.30%026%0.26CS..EExtended strand (participates in β ladder)trans-141.1143.4179.500000110.7P241 V243 I264 V270 A274 C275 T331 I332P241-A325 HydrophobicContact CB-CB 4.07Å; P241-A325 HydrophobicContact CG-CB 4.33Å; V243-A325 HydrophobicContact CG2-CB 3.82Å; I264-A325 HydrophobicContact CD1-CB 3.88Å; I264-A325 HydrophobicContact CG1-CB 4.2Å; I264-A325 HydrophobicContact CG2-CB 3.74Å; V270-A325 HydrophobicContact CG1-CB 4.49Å; V270-A325 HydrophobicContact CG2-CB 4.37Å; A274-A325 WeakPolarHBondContact O-CA 3.05Å; C275-A325 HydrophobicContact CB-CB 4.24Å; A325-T331 WeakPolarHBondContact O-CA 3.43Å; A325-I332 PolarHBondContact N-O 3.38Å; A325-I332 PolarHBondContact O-N 2.72Å
326S98Very high96.5Very high35 Ų3537.9 Ų37.925%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-136.4143.5-178.3-160.10000112.3A274 G330 T331A274-S326 WeakPolarHBondContact CB-O 3.34Å; A274-S326 PolarHBondContact O-N 3.31Å; S326-G330 WeakPolarHBondContact CA-O 3.44Å; S326-G330 PolarHBondContact OG-O 3.41Å; S326-T331 PolarHBondContact OG-OG1 3.26Å
327N97Very high96.8Very high22 Ų2241.5 Ų41.512%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-132.1-167.9162.672.21.4000109.7H239 P241 P268 V270 L329 G330H239-N327 PolarHBondContact O-ND2 3.49Å; P241-N327 HydrophobicContact CG-CB 4.38Å; P268-N327 PolarHBondContact O-ND2 2.77Å; V270-N327 HydrophobicContact CG2-CB 4.45Å; N327-L329 PolarHBondContact O-N 2.7Å; N327-L329 PolarHBondContact OD1-N 2.99Å; N327-G330 PolarHBondContact N-O 3.43Å; N327-G330 PolarHBondContact O-N 3.46Å; N327-G330 PolarHBondContact OD1-N 3.44Å
328S96.5Very high96.8Very high102 Ų10240.7 Ų40.771%0.71326%0.257SS*.THydrogen-bonded Turntrans-64.7-18179.857.50000114.7
329L96.4Very high96.8Very high70 Ų7041.4 Ų41.437%0.36625%0.253SS..THydrogen-bonded Turntrans-97.6-13.9-177.8-67175.5000113.1R238 H239 A240 N327R238-L329 HydrophobicContact CB-CD1 3.59Å; H239-L329 VanDerWaalsContact N-CD1 3.32Å; A240-L329 HydrophobicContact CB-CB 4.33Å; N327-L329 PolarHBondContact O-N 2.7Å; N327-L329 PolarHBondContact OD1-N 2.99Å
330G96.8Very high96.7Very high25 Ų2544.9 Ų44.926%0.25827%0.269SS..EExtended strand (participates in β ladder)trans158-176.1173.500000114.5P241 S326 N327P241-G330 WeakPolarHBondContact CD-O 3.33Å; S326-G330 WeakPolarHBondContact CA-O 3.44Å; S326-G330 PolarHBondContact OG-O 3.41Å; N327-G330 PolarHBondContact N-O 3.43Å; N327-G330 PolarHBondContact O-N 3.46Å; N327-G330 PolarHBondContact OD1-N 3.44Å
331T97.9Very high96.2Very high93 Ų9343.1 Ų43.157%0.57126%0.263SS*.EExtended strand (participates in β ladder)trans-123.9135.9178.8-49.10000109.4A325 S326A325-T331 WeakPolarHBondContact O-CA 3.43Å; S326-T331 PolarHBondContact OG-OG1 3.26Å
332I97.9Very high95.5Very high75 Ų7551.6 Ų51.639%0.38530%0.3SS..EExtended strand (participates in β ladder)trans-131.2158.7175.7-167.259000109.6P241 V243 T324 A325P241-I332 HydrophobicContact CB-CG2 3.81Å; P241-I332 HydrophobicContact CG-CG2 4.47Å; P241-I332 WeakPolarHBondContact O-CG2 3.02Å; V243-I332 HydrophobicContact CB-CG2 4.13Å; V243-I332 HydrophobicContact CG2-CG2 3.4Å; T324-I332 WeakPolarHBondContact CA-O 3.34Å; T324-I332 PolarHBondContact OG1-O 2.95Å; A325-I332 PolarHBondContact N-O 3.38Å; A325-I332 PolarHBondContact O-N 2.72Å
333S97.4Very high94.5Very high61 Ų6153.8 Ų53.843%0.42732%0.317SS..EExtended strand (participates in β ladder)trans-139.5147.6173.7-62.30000111.3C323 T324C323-S333 CarbonylContact O-C 3.6Å; C323-S333 VanDerWaalsContact O-CA 3.23Å; C323-S333 WeakPolarHBondContact O-CA 3.43Å; T324-S333 WeakPolarHBondContact CB-OG 3.12Å; T324-S333 PolarHBondContact OG1-OG 3.23Å; T324-S333 VanDerWaalsContact OG1-OG 3.08Å
334A98Very high93.4Very high23 Ų2363.1 Ų63.119%0.1936%0.36CS..EExtended strand (participates in β ladder)trans-123.5147.2166.500000108.9V243 I245 T322 C323V243-A334 HydrophobicContact CB-CB 4.28Å; V243-A334 HydrophobicContact CG1-CB 3.71Å; I245-A334 HydrophobicContact CD1-CB 3.88Å; I245-A334 VanDerWaalsContact CD1-O 3.22Å; I245-A334 WeakPolarHBondContact CD1-O 3.22Å; I245-A334 HydrophobicContact CG1-CB 4.09Å; T322-A334 CarbonylContact C-O 3.55Å; T322-A334 VanDerWaalsContact CA-O 3.27Å; T322-A334 WeakPolarHBondContact CA-O 3.31Å; C323-A334 PolarHBondContact N-O 2.92Å; C323-A334 PolarHBondContact O-N 3.07Å
335T97.8Very high92.3Very high81 Ų8163.9 Ų63.950%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-126.9140.1-177.1-51.40000110.1L320 Y321 T322L320-T335 HydrophobicContact CB-CG2 3.87Å; L320-T335 HydrophobicContact CD2-CG2 4.11Å; L320-T335 HydrophobicContact CG-CG2 4.45Å; Y321-T335 WeakPolarHBondContact O-CA 3.13Å; T322-T335 PolarHBondContact OG1-OG1 2.88Å
336T97.2Very high91.3Very high13 Ų1370.5 Ų70.58%0.0840%0.399CS..EExtended strand (participates in β ladder)trans-132.4158.2168.9-168.30000110.4I245 V248 P250 L260 L320 Y321I245-T336 HydrophobicContact CD1-CG2 4.32Å; I245-T336 HydrophobicContact CG2-CG2 3.68Å; V248-T336 PolarHBondContact O-OG1 3.29Å; P250-T336 WeakPolarHBondContact CD-OG1 2.95Å; P250-T336 HydrophobicContact CG-CG2 4.01Å; L260-T336 HydrophobicContact CD1-CG2 4.33Å; L320-T336 WeakPolarHBondContact CA-O 3.18Å; Y321-T336 PolarHBondContact N-O 2.91Å; Y321-T336 PolarHBondContact O-N 2.95Å
337M96.7Very high90.1Very high93 Ų9374.2 Ų74.246%0.45842%0.416SS..EExtended strand (participates in β ladder)trans-115.4129.6177-171169.243.100109.6D319 L320 T339D319-M337 WeakPolarHBondContact O-CA 3.27Å; L320-M337 HydrophobicContact CD2-CB 3.68Å; L320-M337 HydrophobicContact CD2-CG 4.01Å; L320-M337 HydrophobicContact CD2-SD 4.24Å; M337-T339 PolarHBondContact O-N 2.86Å
338I94.4Very high89.2Confident0 Ų077 Ų770%043%0.43CS..  trans-79.8125174.9-51.1171.5000109.3P250 L258 L260 L309 I312 F317 G318 D319 Y321P250-I338 HydrophobicContact CG-CG1 4.24Å; L258-I338 HydrophobicContact CD2-CD1 3.8Å; L258-I338 HydrophobicContact CD2-CG1 4.01Å; L258-I338 HydrophobicContact CD2-CG2 3.68Å; L260-I338 HydrophobicContact CD1-CD1 4.31Å; L260-I338 HydrophobicContact CD1-CG1 4.43Å; L309-I338 HydrophobicContact CD1-CD1 3.61Å; I312-I338 HydrophobicContact CD1-CD1 4.33Å; I312-I338 HydrophobicContact CD1-CG2 3.66Å; F317-I338 HydrophobicContact CD1-CG2 3.96Å; F317-I338 HydrophobicContact CE1-CG2 4.1Å; G318-I338 PolarHBondContact N-O 3.35Å; D319-I338 PolarHBondContact O-N 2.92Å; Y321-I338 HydrophobicContact CD2-CD1 3.65Å; Y321-I338 HydrophobicContact CD2-CG1 3.85Å; Y321-I338 HydrophobicContact CE2-CD1 3.22Å; Y321-I338 HydrophobicContact CE2-CG1 3.83Å
339T93.4Very high88.3Confident54 Ų5480 Ų8033%0.33144%0.438SS..EExtended strand (participates in β ladder)trans-106.5139.8179.7-52.50000110.3P250 F251 Q252 M337P250-T339 PolarHBondContact O-N 2.91Å; F251-T339 WeakPolarHBondContact CA-O 3.45Å; F251-T339 VanDerWaalsContact CD1-CB 3.47Å; F251-T339 HydrophobicContact CD1-CG2 3.69Å; F251-T339 HydrophobicContact CE1-CG2 3.53Å; Q252-T339 PolarHBondContact N-O 2.92Å; Q252-T339 VanDerWaalsContact N-O 3.16Å; M337-T339 PolarHBondContact O-N 2.86Å
340E92Very high87.2Confident74 Ų7480.1 Ų80.135%0.34646%0.456SS..EExtended strand (participates in β ladder)trans-74.3134.4178-171.5167.5-157.600110.8Q252 F317Q252-E340 WeakPolarHBondContact O-CA 3.27Å; F317-E340 HydrophobicContact CB-CB 4.31Å; F317-E340 HydrophobicContact CD1-CB 3.75Å; F317-E340 HydrophobicContact CD1-CG 4.35Å; F317-E340 HydrophobicContact CD2-CB 4.2Å; F317-E340 HydrophobicContact CD2-CG 4.19Å; F317-E340 HydrophobicContact CE1-CB 4.1Å; F317-E340 HydrophobicContact CE1-CG 4.31Å; F317-E340 HydrophobicContact CE2-CG 4.17Å; F317-E340 HydrophobicContact CG-CB 3.82Å; F317-E340 HydrophobicContact CG-CG 4.31Å; F317-E340 HydrophobicContact CZ-CB 4.5Å; F317-E340 HydrophobicContact CZ-CG 4.24Å
341S86.1Confident86.1Confident30 Ų3087.4 Ų87.421%0.2148%0.476CS..  trans-93.8126.5172.7-179.50000110.7Q252 S343Q252-S341 PolarHBondContact O-N 2.63Å; S341-S343 VanDerWaalsContact C-N 3.26Å; S341-S343 PolarHBondContact O-N 3.4Å; S341-S343 PolarHBondContact OG-N 3.38Å; S341-S343 PolarHBondContact OG-OG 3.04Å
342F80.3Confident85.1Confident184 Ų18485.2 Ų85.281%0.80746%0.459SS*.  trans-841176.8-58.2-72.8000113.6
343S77.1Confident84.1Confident76 Ų7682.8 Ų82.853%0.53145%0.45SS..  trans-60.6138.8178.9-61.30000111.5K253 S341 V345K253-S343 WeakPolarHBondContact CD-O 3.46Å; K253-S343 PolarHBondContact NZ-O 3.32Å; S341-S343 VanDerWaalsContact C-N 3.26Å; S341-S343 PolarHBondContact O-N 3.4Å; S341-S343 PolarHBondContact OG-N 3.38Å; S341-S343 PolarHBondContact OG-OG 3.04Å; S343-V345 PolarHBondContact O-N 3.09Å
344E74.1Confident83.3Confident195 Ų19582.3 Ų82.391%0.91145%0.446SS*.  trans-65.6132.8172.2-67.7-172.2176.800109.7
345V75.3Confident82.2Confident35 Ų3583.7 Ų83.721%0.21245%0.45CS..  trans-122.8117.2179.7177.60000107.1K253 S343 H352 C354K253-V345 HydrophobicContact CB-CG2 4.2Å; K253-V345 HydrophobicContact CD-CB 3.89Å; K253-V345 HydrophobicContact CD-CG2 3.44Å; K253-V345 VanDerWaalsContact CD-CG2 3.44Å; K253-V345 HydrophobicContact CG-CG2 4.44Å; S343-V345 PolarHBondContact O-N 3.09Å; V345-H352 HydrophobicContact CG1-CB 3.89Å; V345-C354 HydrophobicContact CG1-CB 4.16Å
346L76.5Confident80.6Confident139 Ų13984.4 Ų84.473%0.72845%0.447SS*.  trans-62.5143.1177-71.3157.9000110.4A353L346-A353 HydrophobicContact CB-CB 4.19Å; L346-A353 WeakPolarHBondContact O-CB 3.23Å; L346-A353 PolarHBondContact O-N 3.41Å
347L74.4Confident78.6Confident113 Ų11388.1 Ų88.159%0.59248%0.48SS*.EExtended strand (participates in β ladder)trans-98.8118.4170.8-73.8161.4000108.6R351L347-R351 WeakPolarHBondContact CA-O 3.17Å
348I76.9Confident76.2Confident82 Ų8288.3 Ų88.342%0.42149%0.486SS..EExtended strand (participates in β ladder)trans-110.4118.2175.3-57.4173.6000106.9G350 R351 A353I348-G350 PolarHBondContact O-N 3.34Å; I348-R351 PolarHBondContact N-O 3.17Å; I348-R351 PolarHBondContact O-N 2.67Å; I348-A353 HydrophobicContact CD1-CB 3.9Å; I348-A353 HydrophobicContact CG1-CB 4.22Å
349N78.4Confident73.4Confident164 Ų16494.3 Ų94.388%0.87752%0.518SS*.THydrogen-bonded Turntrans51.439.7-178.9-59.3-27.6000113.8R351N349-R351 VanDerWaalsContact C-N 3.3Å; N349-R351 PolarHBondContact O-N 3.49Å
350G73.1Confident70.5Confident72 Ų72102.5 Ų102.574%0.74254%0.543SS*.THydrogen-bonded Turntrans77.23.8179.100000115.8I348I348-G350 PolarHBondContact O-N 3.34Å
351R73.4Confident67.7Low178 Ų178105 Ų10567%0.67256%0.557SS**EExtended strand (participates in β ladder)trans-112.3144.6171.4-70.5-175.2178.4-170.3-0.1110.9L347 I348 N349 A353L347-R351 WeakPolarHBondContact CA-O 3.17Å; I348-R351 PolarHBondContact N-O 3.17Å; I348-R351 PolarHBondContact O-N 2.67Å; N349-R351 VanDerWaalsContact C-N 3.3Å; N349-R351 PolarHBondContact O-N 3.49Å; R351-A353 PolarHBondContact O-N 3.28Å
352H77.4Confident65.1Low48 Ų48110.7 Ų110.722%0.22258%0.58CS.*EExtended strand (participates in β ladder)trans-62130.1173.2-66105.3000110.4G255 V345 C354 N355G255-H352 PolarHBondContact O-ND1 2.82Å; G255-H352 VanDerWaalsContact O-ND1 3.15Å; V345-H352 HydrophobicContact CG1-CB 3.89Å; H352-C354 WeakPolarHBondContact CB-SG 3.37Å; H352-C354 PolarHBondContact O-N 3.48Å; H352-C354 VanDerWaalsContact O-N 3.15Å; H352-N355 WeakPolarHBondContact O-CB 3.43Å; H352-N355 PolarHBondContact O-N 3.2Å
353A76.9Confident62.8Low23 Ų23108.3 Ų108.319%0.1957%0.573CS.*G310 helixtrans-59.3-26.9-177.700000113L346 I348 R351 N355 H356L346-A353 HydrophobicContact CB-CB 4.19Å; L346-A353 WeakPolarHBondContact O-CB 3.23Å; L346-A353 PolarHBondContact O-N 3.41Å; I348-A353 HydrophobicContact CD1-CB 3.9Å; I348-A353 HydrophobicContact CG1-CB 4.22Å; R351-A353 PolarHBondContact O-N 3.28Å; A353-N355 PolarHBondContact O-N 3.43Å; A353-N355 VanDerWaalsContact O-N 3.12Å; A353-H356 PolarHBondContact O-N 3.01Å
354C79.7Confident60.8Low51 Ų51110.2 Ų110.235%0.34558%0.578SS.*G310 helixtrans-56.3-23.1172.258.50000114C256 V345 H352C256-C354 VanDerWaalsContact CA-SG 3.52Å; C256-C354 HydrophobicContact CB-CB 3.95Å; C256-C354 WeakPolarHBondContact CB-SG 3.41Å; C256-C354 WeakPolarHBondContact SG-CB 3.34Å; C256-C354 CovalentContact SG-SG 2.02Å; C256-C354 PolarHBondContact SG-SG 3.05Å; V345-C354 HydrophobicContact CG1-CB 4.16Å; H352-C354 WeakPolarHBondContact CB-SG 3.37Å; H352-C354 PolarHBondContact O-N 3.48Å; H352-C354 VanDerWaalsContact O-N 3.15Å
355N75.2Confident59.3Low52 Ų52104.2 Ų104.228%0.27856%0.561SS.*G310 helixtrans-88.1-9.1180-65.1-25000112.9G255 C256 N257 H352 A353G255-N355 PolarHBondContact O-ND2 3.11Å; G255-N355 VanDerWaalsContact O-ND2 3.1Å; C256-N355 VanDerWaalsContact CA-OD1 3.28Å; C256-N355 WeakPolarHBondContact CA-OD1 3.27Å; N257-N355 PolarHBondContact N-OD1 2.99Å; H352-N355 WeakPolarHBondContact O-CB 3.43Å; H352-N355 PolarHBondContact O-N 3.2Å; A353-N355 PolarHBondContact O-N 3.43Å; A353-N355 VanDerWaalsContact O-N 3.12Å
356H64Low57.6Low96 Ų96110.5 Ų110.544%0.44458%0.582SS.*SBendtrans-83.7128172.8-85.2-88.2000109.3A353 V358A353-H356 PolarHBondContact O-N 3.01Å; H356-V358 PolarHBondContact O-N 2.97Å
357A54.7Low56Low92 Ų92110.2 Ų110.276%0.7658%0.581SS**  trans-63.194.1162.100000107N359A357-N359 PolarHBondContact O-N 2.99Å
358V47.3Very low54.2Low97 Ų97110.9 Ų110.959%0.58858%0.584SS**  trans-69.192.8173.8-176.70000106H356 W360H356-V358 PolarHBondContact O-N 2.97Å; V358-W360 VanDerWaalsContact C-N 3.33Å; V358-W360 PolarHBondContact O-N 3.02Å
359N35.3Very low52.2Low125 Ų125112.4 Ų112.467%0.66859%0.592SS**  trans-56.1104.3160.7-86.1-19.4000105.7A357 I361A357-N359 PolarHBondContact O-N 2.99Å; N359-I361 HydrophobicContact CB-CD1 4.03Å; N359-I361 HydrophobicContact CB-CG1 4.04Å; N359-I361 PolarHBondContact O-N 3.29Å
360W33.5Very low50.4Low226 Ų226108.3 Ų108.386%0.85658%0.575SS**  trans-68.255165.1-74.989.6000109.3V358 H362V358-W360 VanDerWaalsContact C-N 3.33Å; V358-W360 PolarHBondContact O-N 3.02Å; W360-H362 PolarHBondContact O-N 3.03Å
361I32.2Very low49Very low126 Ų126110.8 Ų110.865%0.64657%0.571SS**SBendtrans-90.393.1166.3-62172.7000104.3N359N359-I361 HydrophobicContact CB-CD1 4.03Å; N359-I361 HydrophobicContact CB-CG1 4.04Å; N359-I361 PolarHBondContact O-N 3.29Å
362H31Very low47.2Very low151 Ų151110.3 Ų110.370%0.69958%0.576SS**  trans57.571.1161.4-68.8-89.2000117.3W360 N364W360-H362 PolarHBondContact O-N 3.03Å; H362-N364 PolarHBondContact O-N 3.19Å
363M33.3Very low45.4Very low133 Ų133112.7 Ų112.766%0.65560%0.597SS**  trans-85.335.5150.5-79.7-167.5114.600112.4A365 Y366M363-A365 PolarHBondContact O-N 3.09Å; M363-A365 VanDerWaalsContact O-N 3.14Å; M363-Y366 HydrophobicContact CE-CD2 4.11Å; M363-Y366 HydrophobicContact CE-CE2 3.77Å
364N34.9Very low43.6Very low117 Ų117119.6 Ų119.663%0.62662%0.623SS**THydrogen-bonded Turntrans-71.27.1166-98.1-16.2000113.2H362H362-N364 PolarHBondContact O-N 3.19Å
365A41.8Very low41.6Very low68 Ų68123.5 Ų123.556%0.56264%0.64SS**THydrogen-bonded Turntrans-79.9-14.9176.900000114M363M363-A365 PolarHBondContact O-N 3.09Å; M363-A365 VanDerWaalsContact O-N 3.14Å
366Y39.8Very low39.8Very low168 Ų168128.1 Ų128.166%0.65966%0.664SS**SBendtrans-93.9-4.6-178.4-78.6-76.8000115.4M363M363-Y366 HydrophobicContact CE-CD2 4.11Å; M363-Y366 HydrophobicContact CE-CE2 3.77Å
367L42Very low38.7Very low133 Ų133131.1 Ų131.170%0.69668%0.683SS**SBendtrans-80.7-15.3170.9-119.899.4000113.7S370L367-S370 PolarHBondContact O-OG 3.47Å
368I37.7Very low37.9Very low127 Ų127134 Ų13465%0.65168%0.684SS**SBendtrans-84.8-18-174.9-60.7-180000113S370I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.15Å
369I35.4Very low37.4Very low114 Ų114136.8 Ų136.859%0.58570%0.695SS**G310 helixtrans-81-11178.4-57.2179.4000112.4I371I369-I371 PolarHBondContact O-N 3.05Å
370S40.2Very low37.4Very low77 Ų77144 Ų14454%0.53872%0.72SS.*G310 helixtrans-70.6-13.9176.1740000114.4L367 I368L367-S370 PolarHBondContact O-OG 3.47Å; I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.15Å
371I42.7Very low37.6Very low125 Ų125139.9 Ų139.964%0.64171%0.713SS**G310 helixtrans-89.9-21.2-177-63175.8000112.7I369I369-I371 PolarHBondContact O-N 3.05Å
372Q36.9Very low37.8Very low167 Ų167140.6 Ų140.678%0.7872%0.716SS**THydrogen-bonded Turntrans-86.3-15.4178-79.4-161-32.300115
373C38.7Very low38.2Very low98 Ų98140 Ų14066%0.66272%0.717SS**SBendtrans-83.1-13174.2-77.70000114.1
374F39.1Very low38.5Very low168 Ų168140.4 Ų140.474%0.73772%0.721SS**SBendtrans-85.8-13.7-176.4-113.3-86.1000115.2
375N38.1Very low38.7Very low133 Ų133141.9 Ų141.971%0.71173%0.727SS**SBendtrans-98.63-176.7-83.6-18.6000115.8
376L37.9Very low38.5Very low150 Ų150146.8 Ų146.879%0.78574%0.738SS**SBendtrans-102.53.1176.6-94.5150.1000114.5
377L40.1Very low38.4Very low158 Ų158145.3 Ų145.383%0.82774%0.744SS**SBendtrans-106.111.9177-90.7155.8000114.6
378L39Very low38.2Very low152 Ų152146.2 Ų146.280%0.79675%0.747SS**  trans-116.833176-83.8165.5000114.1
379I35.7Very low38.2Very low157 Ų157147.8 Ų147.881%0.80576%0.755SS**  trans-125.376.8162-50.4175.3000108
380K35Very low38.5Very low275 Ų275150.9 Ų150.9100%1.19677%0.771SS**  trans-108.80144.1-91.4-173.5175.5-179.10105.8

Retrieved 380 of 380 residues in 108 ms (Link to these results)