A0A087Y9A4_POEFO Loading...

Mitochondrial inner membrane protease subunit

AlphaFold DB , UniProt , Accession A0A087Y9A4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 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
1M41.4Very low53.8Low248 Ų248149 Ų149100%1.22277%0.774SS**  0104.30-66-179.3-171.200108.1
2A47.1Very low54.6Low100 Ų100143.8 Ų143.883%0.82675%0.753SS**  trans-170.285.4170.100000110.7
3Q49Very low55.2Low192 Ų192142.4 Ų142.490%0.89774%0.74SS**  trans-14886.4165-83.1-173.3-9.200108.8
4Q51.8Low55.9Low192 Ų192138.8 Ų138.890%0.89773%0.728SS**  trans-167.460.9170.3-116.5166.2-2.700113.5
5T50.8Low56.4Low136 Ų136141.2 Ų141.283%0.83473%0.73SS**  trans-146.915171.8520000115.9
6S56.2Low57.3Low94 Ų94138 Ų13866%0.65771%0.713SS**SBendtrans-97-20.7-17565.30000115.5
7A56.9Low57.9Low63 Ų63133.8 Ų133.852%0.52170%0.699SS.*Hα-helixtrans-74.1-50.9-172.200000113.1R9 R10 Y11A7-R9 VanDerWaalsContact C-N 3.32Å; A7-R9 PolarHBondContact O-N 2.66Å; A7-R10 PolarHBondContact O-N 3.39Å; A7-Y11 VanDerWaalsContact O-CD2 3.31Å; A7-Y11 WeakPolarHBondContact O-CD2 3.38Å; A7-Y11 PolarHBondContact O-N 3.2Å
8G57.4Low58.9Low48 Ų48128.4 Ų128.450%0.49568%0.681SS.*Hα-helixtrans-62.6-34.9-176.800000114.1Y11 V12G8-Y11 PolarHBondContact O-N 3.31Å; G8-V12 WeakPolarHBondContact O-CG2 3.43Å; G8-V12 PolarHBondContact O-N 3.21Å; G8-V12 VanDerWaalsContact O-N 3.08Å
9R59.2Low60.1Low200 Ų200128.4 Ų128.476%0.75568%0.675SS**Hα-helixtrans-66.6-37.5177.4-168.1172.5175.1171.8-1.5112.1A7 Q13A7-R9 VanDerWaalsContact C-N 3.32Å; A7-R9 PolarHBondContact O-N 2.66Å; R9-Q13 WeakPolarHBondContact O-CB 3.23Å; R9-Q13 PolarHBondContact O-N 2.86Å
10R60.1Low61.3Low187 Ų187129.3 Ų129.371%0.70667%0.673SS**Hα-helixtrans-67.6-41.7174.5-90.1-178.6169.2175-2.9112.4A7 Q13 T14A7-R10 PolarHBondContact O-N 3.39Å; R10-Q13 PolarHBondContact O-N 2.91Å; R10-T14 WeakPolarHBondContact O-CB 3.31Å; R10-T14 PolarHBondContact O-N 3.42Å; R10-T14 PolarHBondContact O-OG1 3.28Å
11Y62Low62.4Low179 Ų179127.7 Ų127.770%0.70267%0.669SS**Hα-helixtrans-63.5-47.7177.6-83.7-78.7000112A7 G8 Q13 T14 F15A7-Y11 VanDerWaalsContact O-CD2 3.31Å; A7-Y11 WeakPolarHBondContact O-CD2 3.38Å; A7-Y11 PolarHBondContact O-N 3.2Å; G8-Y11 PolarHBondContact O-N 3.31Å; Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 3.11Å; Y11-T14 PolarHBondContact O-N 3.3Å; Y11-F15 WeakPolarHBondContact O-CB 3.42Å; Y11-F15 PolarHBondContact O-N 2.92Å
12V63.5Low64.5Low86 Ų86118.3 Ų118.352%0.52163%0.63SS.*Hα-helixtrans-62.3-41.5177.1173.20000111.3G8 T14 F15 I16G8-V12 WeakPolarHBondContact O-CG2 3.43Å; G8-V12 PolarHBondContact O-N 3.21Å; G8-V12 VanDerWaalsContact O-N 3.08Å; V12-T14 PolarHBondContact O-N 2.86Å; V12-F15 PolarHBondContact O-N 3.44Å; V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.42Å; V12-I16 VanDerWaalsContact O-CG1 3.23Å; V12-I16 WeakPolarHBondContact O-CG1 3.19Å; V12-I16 PolarHBondContact O-N 3.08Å
13Q62.7Low66.5Low126 Ų126116.5 Ų116.559%0.58961%0.609SS**Hα-helixtrans-67-36.9178.5-161.2171.57.600112.3R9 R10 Y11 S17R9-Q13 WeakPolarHBondContact O-CB 3.23Å; R9-Q13 PolarHBondContact O-N 2.86Å; R10-Q13 PolarHBondContact O-N 2.91Å; Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 3.11Å; Q13-S17 VanDerWaalsContact O-CB 3.24Å; Q13-S17 WeakPolarHBondContact O-CB 3.46Å; Q13-S17 PolarHBondContact O-N 2.91Å; Q13-S17 PolarHBondContact O-OG 3.5Å; Q13-S17 VanDerWaalsContact O-OG 3.11Å
14T64.2Low68.4Low92 Ų92110.6 Ų110.656%0.56459%0.587SS**Hα-helixtrans-67.6-41.1174-46.40000110.8R10 Y11 V12 S17 G18R10-T14 WeakPolarHBondContact O-CB 3.31Å; R10-T14 PolarHBondContact O-N 3.42Å; R10-T14 PolarHBondContact O-OG1 3.28Å; Y11-T14 PolarHBondContact O-N 3.3Å; V12-T14 PolarHBondContact O-N 2.86Å; T14-S17 WeakPolarHBondContact CA-OG 3.24Å; T14-S17 PolarHBondContact O-N 3.46Å; T14-S17 PolarHBondContact O-OG 2.79Å; T14-G18 PolarHBondContact O-N 3.49Å
15F63.8Low70.1Confident175 Ų175104.9 Ų104.977%0.76857%0.566SS**Hα-helixtrans-64.9-45.8177.1-138.3-90000112.6Y11 V12 G18 F19Y11-F15 WeakPolarHBondContact O-CB 3.42Å; Y11-F15 PolarHBondContact O-N 2.92Å; V12-F15 PolarHBondContact O-N 3.44Å; F15-G18 PolarHBondContact O-N 3.2Å; F15-F19 PolarHBondContact O-N 3.34Å
16I70.1Confident71.7Confident90 Ų90101.9 Ų101.946%0.46255%0.547SS..Hα-helixtrans-64.7-45.1176.6-68.2170.7000110.2V12 G18 F19 F20V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.42Å; V12-I16 VanDerWaalsContact O-CG1 3.23Å; V12-I16 WeakPolarHBondContact O-CG1 3.19Å; V12-I16 PolarHBondContact O-N 3.08Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.13Å; I16-F20 HydrophobicContact CG2-CD2 3.79Å; I16-F20 HydrophobicContact CG2-CE2 3.6Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.5Å; I16-F20 PolarHBondContact O-N 3.03Å; I16-F20 VanDerWaalsContact O-N 3.13Å
17S67.6Low73Confident66 Ų66101.5 Ų101.546%0.46254%0.541SS..Hα-helixtrans-63-37.6176.771.10000112.4Q13 T14 F19 F20 V21Q13-S17 VanDerWaalsContact O-CB 3.24Å; Q13-S17 WeakPolarHBondContact O-CB 3.46Å; Q13-S17 PolarHBondContact O-N 2.91Å; Q13-S17 PolarHBondContact O-OG 3.5Å; Q13-S17 VanDerWaalsContact O-OG 3.11Å; T14-S17 WeakPolarHBondContact CA-OG 3.24Å; T14-S17 PolarHBondContact O-N 3.46Å; T14-S17 PolarHBondContact O-OG 2.79Å; S17-F19 PolarHBondContact O-N 2.87Å; S17-F20 PolarHBondContact O-N 3.27Å; S17-V21 WeakPolarHBondContact O-CG2 3.09Å; S17-V21 PolarHBondContact O-N 3.44Å
18G76.2Confident74.3Confident37 Ų37102.1 Ų102.138%0.38154%0.538SS..Hα-helixtrans-64-38.7174.500000112.3T14 F15 I16 V21 A22T14-G18 PolarHBondContact O-N 3.49Å; F15-G18 PolarHBondContact O-N 3.2Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3Å; G18-V21 PolarHBondContact O-N 3.13Å; G18-A22 WeakPolarHBondContact O-CB 3.13Å; G18-A22 PolarHBondContact O-N 3.42Å
19F82Confident75.4Confident128 Ų128103.9 Ų103.956%0.56154%0.535SS*.Hα-helixtrans-64.4-45176.3-177.8-94.5000112.6F15 I16 S17 V21 A22 V23F15-F19 PolarHBondContact O-N 3.34Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.13Å; S17-F19 PolarHBondContact O-N 2.87Å; F19-V21 PolarHBondContact O-N 3.36Å; F19-A22 PolarHBondContact O-N 3.27Å; F19-V23 HydrophobicContact CD1-CG2 4.3Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.05Å; F19-V23 HydrophobicContact CE2-CG2 3.52Å; F19-V23 HydrophobicContact CG-CG2 4.19Å; F19-V23 HydrophobicContact CZ-CG2 3.66Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 2.68Å
20F83.9Confident76.1Confident147 Ų14799.1 Ų99.165%0.64552%0.524SS*.Hα-helixtrans-66.8-20.1178.3-80.2-71.7000113.8I16 S17 P24I16-F20 HydrophobicContact CG2-CD2 3.79Å; I16-F20 HydrophobicContact CG2-CE2 3.6Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.5Å; I16-F20 PolarHBondContact O-N 3.03Å; I16-F20 VanDerWaalsContact O-N 3.13Å; S17-F20 PolarHBondContact O-N 3.27Å; F20-P24 WeakPolarHBondContact O-CD 3.23Å; F20-P24 WeakPolarHBondContact O-CG 3.26Å
21V84.8Confident76.6Confident96 Ų9693.9 Ų93.958%0.58251%0.51SS*.Hα-helixtrans-90.6-47.7171.6177.50000110.8S17 G18 F19 V23 P24 V25S17-V21 WeakPolarHBondContact O-CG2 3.09Å; S17-V21 PolarHBondContact O-N 3.44Å; G18-V21 PolarHBondContact O-N 3.13Å; F19-V21 PolarHBondContact O-N 3.36Å; V21-V23 PolarHBondContact O-N 3.46Å; V21-P24 WeakPolarHBondContact O-CD 3.23Å; V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 VanDerWaalsContact O-CB 3.26Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3Å; V21-V25 VanDerWaalsContact O-N 3.13Å
22A85.3Confident77.3Confident50 Ų5090 Ų9041%0.41350%0.497SS..Hα-helixtrans-66-39.4-173.700000113.1G18 F19 T26G18-A22 WeakPolarHBondContact O-CB 3.13Å; G18-A22 PolarHBondContact O-N 3.42Å; F19-A22 PolarHBondContact O-N 3.27Å; A22-T26 VanDerWaalsContact O-CB 3.23Å; A22-T26 WeakPolarHBondContact O-CB 3.21Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 2.82Å
23V89.2Confident78.2Confident62 Ų6288.7 Ų88.738%0.37649%0.487SS..Hα-helixtrans-67.9-53.4-178.1172.20000111.7F19 V21 V25 T26 V27F19-V23 HydrophobicContact CD1-CG2 4.3Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.05Å; F19-V23 HydrophobicContact CE2-CG2 3.52Å; F19-V23 HydrophobicContact CG-CG2 4.19Å; F19-V23 HydrophobicContact CZ-CG2 3.66Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 2.68Å; V21-V23 PolarHBondContact O-N 3.46Å; V23-V25 VanDerWaalsContact C-N 3.29Å; V23-V25 PolarHBondContact O-N 2.82Å; V23-T26 PolarHBondContact O-N 3.11Å; V23-V27 HydrophobicContact CG1-CG2 4.31Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 3.3Å
24P88.9Confident79.2Confident68 Ų6884.3 Ų84.344%0.44247%0.472SS..Hα-helixtrans-61.3-37.1176.1-25.436.8000113F20 V21 T28F20-P24 WeakPolarHBondContact O-CD 3.23Å; F20-P24 WeakPolarHBondContact O-CG 3.26Å; V21-P24 WeakPolarHBondContact O-CD 3.23Å; P24-T28 VanDerWaalsContact O-CB 3.23Å; P24-T28 WeakPolarHBondContact O-CB 3.43Å; P24-T28 PolarHBondContact O-N 3.26Å; P24-T28 PolarHBondContact O-OG1 3.5Å
25V88.1Confident80.4Confident73 Ų7383.9 Ų83.944%0.44246%0.461SS..Hα-helixtrans-63-47.9175169.60000110.5V21 V23 V27 T28 I29V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 VanDerWaalsContact O-CB 3.26Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3Å; V21-V25 VanDerWaalsContact O-N 3.13Å; V23-V25 VanDerWaalsContact C-N 3.29Å; V23-V25 PolarHBondContact O-N 2.82Å; V25-V27 PolarHBondContact O-N 3.38Å; V25-T28 PolarHBondContact O-N 3.44Å; V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.35Å; V25-I29 WeakPolarHBondContact O-CB 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 2.84Å
26T83.6Confident81.7Confident73 Ų7379.4 Ų79.445%0.44845%0.447SS..Hα-helixtrans-62.4-45.7178.2-57.30000111.2A22 V23 T28 I29 L30A22-T26 VanDerWaalsContact O-CB 3.23Å; A22-T26 WeakPolarHBondContact O-CB 3.21Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 2.82Å; V23-T26 PolarHBondContact O-N 3.11Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 2.83Å; T26-I29 PolarHBondContact O-N 2.84Å; T26-L30 HydrophobicContact CG2-CD1 4.02Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CB 3.21Å; T26-L30 VanDerWaalsContact O-CG 3.28Å; T26-L30 WeakPolarHBondContact O-CG 3.23Å; T26-L30 PolarHBondContact O-N 3.21Å
27V83.1Confident82.8Confident86 Ų8676 Ų7652%0.52143%0.433SS..Hα-helixtrans-61.5-41.8176.4171.60000111.1V23 V25 L30 D31V23-V27 HydrophobicContact CG1-CG2 4.31Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 3.3Å; V25-V27 PolarHBondContact O-N 3.38Å; V27-L30 PolarHBondContact O-N 2.68Å; V27-D31 VanDerWaalsContact O-CB 3.3Å; V27-D31 WeakPolarHBondContact O-CB 3.47Å; V27-D31 PolarHBondContact O-N 3.07Å
28T84Confident84Confident75 Ų7580.4 Ų80.446%0.4644%0.439SS..Hα-helixtrans-66-43.6177.3-580000111.1P24 V25 T26 D31 K32P24-T28 VanDerWaalsContact O-CB 3.23Å; P24-T28 WeakPolarHBondContact O-CB 3.43Å; P24-T28 PolarHBondContact O-N 3.26Å; P24-T28 PolarHBondContact O-OG1 3.5Å; V25-T28 PolarHBondContact O-N 3.44Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 2.83Å; T28-D31 PolarHBondContact O-N 3.09Å; T28-K32 HydrophobicContact CG2-CG 4.03Å; T28-K32 VanDerWaalsContact O-CB 3.25Å; T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 WeakPolarHBondContact O-CG 3.47Å; T28-K32 PolarHBondContact O-N 3.19Å
29I81.1Confident84.8Confident85 Ų8578.9 Ų78.944%0.43642%0.423SS..Hα-helixtrans-60.4-47.9175.8-74171.8000109.8V25 T26 K32 L33V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.35Å; V25-I29 WeakPolarHBondContact O-CB 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 2.84Å; T26-I29 PolarHBondContact O-N 2.84Å; I29-K32 PolarHBondContact O-N 3.08Å; I29-L33 HydrophobicContact CG2-CD1 3.69Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 2.89Å
30L74.6Confident85.2Confident101 Ų10179.3 Ų79.353%0.52943%0.426SS..Hα-helixtrans-61.2-52.7177.3-69.2174.1000110.4T26 V27 K32 L33 A34T26-L30 HydrophobicContact CG2-CD1 4.02Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CB 3.21Å; T26-L30 VanDerWaalsContact O-CG 3.28Å; T26-L30 WeakPolarHBondContact O-CG 3.23Å; T26-L30 PolarHBondContact O-N 3.21Å; V27-L30 PolarHBondContact O-N 2.68Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.35Å; L30-L33 PolarHBondContact O-N 2.89Å; L30-A34 CarbonylContact O-C 3.46Å; L30-A34 PolarHBondContact O-N 3.1Å
31D70.9Confident85.3Confident76 Ų7674.8 Ų74.841%0.40642%0.421SS..Hα-helixtrans-58.6-40.3179.8-179.354.9000113.3V27 T28 R63V27-D31 VanDerWaalsContact O-CB 3.3Å; V27-D31 WeakPolarHBondContact O-CB 3.47Å; V27-D31 PolarHBondContact O-N 3.07Å; T28-D31 PolarHBondContact O-N 3.09Å; D31-R63 PolarHBondContact O-NH1 3.27Å; D31-R63 IonicContact OD1-NH1 3.85Å
32K76.9Confident85.5Confident97 Ų9772 Ų7242%0.42241%0.407SS..Hα-helixtrans-85.3-30.3-175.4-61.7-54177-139.50113.9T28 I29 L30 R63T28-K32 HydrophobicContact CG2-CG 4.03Å; T28-K32 VanDerWaalsContact O-CB 3.25Å; T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 WeakPolarHBondContact O-CG 3.47Å; T28-K32 PolarHBondContact O-N 3.19Å; I29-K32 PolarHBondContact O-N 3.08Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.35Å; K32-R63 WeakPolarHBondContact O-CB 3.43Å
33L82Confident85.7Confident60 Ų6070.5 Ų70.531%0.31439%0.394SS..Hα-helixtrans-101.6-33.6-173.7-54.4-172.4000113.4I29 L30 R63 W64I29-L33 HydrophobicContact CG2-CD1 3.69Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.89Å; L33-R63 PolarHBondContact O-N 2.77Å; L33-W64 HydrophobicContact CD2-CB 4.04Å; L33-W64 HydrophobicContact CD2-CD2 3.82Å; L33-W64 HydrophobicContact CD2-CE3 3.16Å; L33-W64 HydrophobicContact CD2-CG 4.22Å; L33-W64 HydrophobicContact CD2-CZ3 3.8Å
34A84.1Confident85.8Confident33 Ų3367.7 Ų67.727%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-135.7130.4-16900000112.3L30 L60 L61L30-A34 CarbonylContact O-C 3.46Å; L30-A34 PolarHBondContact O-N 3.1Å; A34-L60 HydrophobicContact CB-CD1 4.07Å; A34-L61 CarbonylContact C-O 3.58Å; A34-L61 WeakPolarHBondContact CA-O 3.43Å
35Y87.7Confident86Confident84 Ų8465.8 Ų65.833%0.32936%0.362SS..EExtended strand (participates in β ladder)trans-127.9129.2177.2179.3-92.7000110.5A37 L61Y35-A37 HydrophobicContact CD1-CB 4Å; Y35-A37 HydrophobicContact CE1-CB 3.77Å; Y35-L61 HydrophobicContact CD1-CD1 3.87Å; Y35-L61 HydrophobicContact CD1-CG 4.39Å; Y35-L61 PolarHBondContact N-O 2.83Å; Y35-L61 WeakPolarHBondContact O-CA 3.36Å; Y35-L61 WeakPolarHBondContact O-CB 3.49Å; Y35-L61 PolarHBondContact O-N 3.16Å
36V91.6Very high86Confident80 Ų8067.1 Ų67.149%0.48537%0.373SS..EExtended strand (participates in β ladder)trans-88.6123.5176.6177.80000108.8V58 L60 I150V36-V58 HydrophobicContact CG1-CG1 3.23Å; V36-L60 HydrophobicContact CG2-CD1 3.93Å; V36-I150 HydrophobicContact CG1-CD1 3.84Å; V36-I150 HydrophobicContact CG2-CD1 3.98Å
37A92.6Very high86.4Confident19 Ų1966.1 Ų66.116%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-125.7132.1-179.400000110.7Y35 V58 V59 L61Y35-A37 HydrophobicContact CD1-CB 4Å; Y35-A37 HydrophobicContact CE1-CB 3.77Å; A37-V58 CarbonylContact O-C 3.54Å; A37-V58 WeakPolarHBondContact O-CA 3.25Å; A37-V59 HydrophobicContact CB-CG2 4.15Å; A37-V59 PolarHBondContact N-O 3.4Å; A37-V59 PolarHBondContact O-N 3.07Å; A37-L61 HydrophobicContact CB-CD1 3.88Å; A37-L61 HydrophobicContact CB-CG 4.07Å
38R94.3Very high86.8Confident158 Ų15862 Ų6260%0.59634%0.337SS*.EExtended strand (participates in β ladder)trans-79.4134.2166-172.7179.6176.6174.90.9109.1E40 S56R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.93Å; R38-E40 IonicContact NE-OE1 3.64Å; R38-S56 VanDerWaalsContact NE-CB 3.3Å; R38-S56 PolarHBondContact NE-OG 3.16Å; R38-S56 PolarHBondContact NH2-OG 2.96Å
39V92.4Very high87.2Confident6 Ų659.2 Ų59.24%0.03632%0.32CS..  trans-96.9110.5179.4179.90000108.4L48 N49 S56 D57 V59 I90V39-L48 HydrophobicContact CG1-CB 4.08Å; V39-L48 HydrophobicContact CG1-CD1 3.94Å; V39-L48 HydrophobicContact CG2-CD1 4.07Å; V39-N49 PolarHBondContact O-ND2 2.95Å; V39-S56 WeakPolarHBondContact O-CB 3.39Å; V39-D57 HydrophobicContact CB-CB 4.4Å; V39-D57 PolarHBondContact N-O 3.44Å; V39-V59 HydrophobicContact CG2-CB 4.36Å; V39-V59 HydrophobicContact CG2-CG1 3.78Å; V39-V59 HydrophobicContact CG2-CG2 3.7Å; V39-I90 HydrophobicContact CG1-CG2 3.89Å; V39-I90 HydrophobicContact CG2-CD1 4.03Å
40E89.8Confident87.5Confident137 Ų13757.6 Ų57.664%0.6431%0.314SS*.  trans-109139.1179.6-64.2-179.2175.900110.5R38R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.93Å; R38-E40 IonicContact NE-OE1 3.64Å
41G86.6Confident87.9Confident51 Ų5158 Ų5853%0.52632%0.317SS..SBendtrans97.5172.8178.900000114.9N49G41-N49 PolarHBondContact O-ND2 2.91Å
42A88.3Confident88.1Confident37 Ų3760.8 Ų60.831%0.30634%0.337SS..SBendtrans-93.7-7-172.300000114.1M44 Q45 H124A42-M44 PolarHBondContact O-N 3.48Å; A42-Q45 HydrophobicContact CB-CG 4.38Å; A42-Q45 VanDerWaalsContact O-CB 3.23Å; A42-Q45 WeakPolarHBondContact O-CB 3.17Å; A42-Q45 WeakPolarHBondContact O-CG 3.49Å; A42-Q45 PolarHBondContact O-N 2.89Å; A42-H124 WeakPolarHBondContact O-CB 3.25Å
43S89.4Confident87.7Confident20 Ų2060.1 Ų60.114%0.1436%0.358CS..THydrogen-bonded Turntrans-64.7-19.9-16772.70000115.6K91 G122 D123 H124S43-K91 PolarHBondContact OG-NZ 2.98Å; S43-G122 CarbonylContact O-C 3.55Å; S43-G122 WeakPolarHBondContact O-CA 3.2Å; S43-D123 PolarHBondContact O-N 2.73Å; S43-H124 PolarHBondContact O-N 2.82Å
44M92.8Very high87.4Confident2 Ų260 Ų601%0.0137%0.365CS..THydrogen-bonded Turntrans-104.510.7177-68.2-61-65.100112.6A42 F47 L48 I76 I90 K91 R92A42-M44 PolarHBondContact O-N 3.48Å; M44-F47 PolarHBondContact O-N 2.87Å; M44-L48 CarbonylContact C-O 3.54Å; M44-L48 HydrophobicContact CB-CB 3.77Å; M44-L48 HydrophobicContact CB-CD1 3.86Å; M44-L48 HydrophobicContact CB-CG 4.03Å; M44-L48 HydrophobicContact CE-CD1 4.38Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 PolarHBondContact O-N 3.47Å; M44-I76 HydrophobicContact CE-CB 4.44Å; M44-I76 HydrophobicContact CE-CD1 3.77Å; M44-I76 HydrophobicContact CE-CG1 3.84Å; M44-I76 HydrophobicContact CE-CG2 3.81Å; M44-I90 HydrophobicContact CG-CG2 3.91Å; M44-I90 WeakPolarHBondContact CG-O 3.5Å; M44-K91 VanDerWaalsContact SD-CA 3.58Å; M44-R92 HydrophobicContact CE-CB 4.33Å
45Q91.8Very high87.5Confident28 Ų2864.3 Ų64.313%0.13138%0.38CS..THydrogen-bonded Turntrans-69.2145.1172.3-72.7178.2-10.700110.6A42 L48 N49 D123 H124A42-Q45 HydrophobicContact CB-CG 4.38Å; A42-Q45 VanDerWaalsContact O-CB 3.23Å; A42-Q45 WeakPolarHBondContact O-CB 3.17Å; A42-Q45 WeakPolarHBondContact O-CG 3.49Å; A42-Q45 PolarHBondContact O-N 2.89Å; Q45-L48 WeakPolarHBondContact CA-O 3.36Å; Q45-L48 WeakPolarHBondContact CG-O 3.34Å; Q45-L48 PolarHBondContact N-O 2.85Å; Q45-N49 WeakPolarHBondContact CG-O 3.47Å; Q45-N49 PolarHBondContact NE2-O 3.44Å; Q45-D123 CarbonylContact O-C 3.36Å; Q45-D123 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 HydrophobicContact CB-CB 4.21Å; Q45-H124 WeakPolarHBondContact O-CA 3.49Å; Q45-H124 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 PolarHBondContact O-N 3.03Å
46P89.4Confident87.6Confident102 Ų10261.4 Ų61.466%0.66237%0.372SS*.THydrogen-bonded Turncis-86-4.44.334.3-36000114.3P50P46-P50 WeakPolarHBondContact O-CB 3.32Å
47F92.2Very high87.8Confident51 Ų5157.7 Ų57.722%0.22435%0.349CS..THydrogen-bonded Turntrans-68.2-48.5-172.3-173-96.5000112.7M44 I76 D123 R155 I159M44-F47 PolarHBondContact O-N 2.87Å; F47-I76 HydrophobicContact CD1-CD1 3.29Å; F47-I76 HydrophobicContact CE1-CD1 3.24Å; F47-I76 HydrophobicContact CG-CD1 4.34Å; F47-I76 HydrophobicContact CZ-CD1 4.23Å; F47-D123 VanDerWaalsContact CB-OD2 3.24Å; F47-D123 WeakPolarHBondContact CB-OD2 3.24Å; F47-R155 PolarHBondContact O-NH2 3.29Å; F47-I159 HydrophobicContact CE1-CD1 4.44Å; F47-I159 HydrophobicContact CE1-CG1 4.17Å; F47-I159 HydrophobicContact CE1-CG2 3.99Å; F47-I159 HydrophobicContact CZ-CG1 4.27Å; F47-I159 HydrophobicContact CZ-CG2 3.95Å
48L91Very high87.9Confident0 Ų058 Ų580%035%0.349CS..SBendtrans-105.5140.6170.6-55.4174.3000109.7V39 M44 Q45 D57 V59 I76 I90 I149V39-L48 HydrophobicContact CG1-CB 4.08Å; V39-L48 HydrophobicContact CG1-CD1 3.94Å; V39-L48 HydrophobicContact CG2-CD1 4.07Å; M44-L48 CarbonylContact C-O 3.54Å; M44-L48 HydrophobicContact CB-CB 3.77Å; M44-L48 HydrophobicContact CB-CD1 3.86Å; M44-L48 HydrophobicContact CB-CG 4.03Å; M44-L48 HydrophobicContact CE-CD1 4.38Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 PolarHBondContact O-N 3.47Å; Q45-L48 WeakPolarHBondContact CA-O 3.36Å; Q45-L48 WeakPolarHBondContact CG-O 3.34Å; Q45-L48 PolarHBondContact N-O 2.85Å; L48-D57 VanDerWaalsContact CA-OD2 3.25Å; L48-D57 WeakPolarHBondContact CA-OD2 3.37Å; L48-V59 HydrophobicContact CD2-CG1 4.14Å; L48-I76 HydrophobicContact CD1-CG2 4.45Å; L48-I90 HydrophobicContact CD1-CD1 3.84Å; L48-I90 HydrophobicContact CD1-CG1 4.46Å; L48-I149 HydrophobicContact CD2-CD1 3.86Å; L48-I149 HydrophobicContact CD2-CG1 4.19Å
49N91.4Very high88Confident17 Ų1750.5 Ų50.59%0.09132%0.321CS..SBendtrans53.354.1-177.3-56.5-31000114.5V39 G41 Q45 D51 S56 D57V39-N49 PolarHBondContact O-ND2 2.95Å; G41-N49 PolarHBondContact O-ND2 2.91Å; Q45-N49 WeakPolarHBondContact CG-O 3.47Å; Q45-N49 PolarHBondContact NE2-O 3.44Å; N49-D51 VanDerWaalsContact C-N 3.29Å; N49-D51 PolarHBondContact O-N 2.82Å; N49-S56 WeakPolarHBondContact OD1-CA 3.43Å; N49-D57 PolarHBondContact N-OD2 2.77Å; N49-D57 PolarHBondContact OD1-N 2.89Å
50P86.9Confident88.1Confident50 Ų5052.5 Ų52.533%0.32533%0.331SS..  trans-58.1-39.2-173.923.7-33000113.1P46P46-P50 WeakPolarHBondContact O-CB 3.32Å
51D84.7Confident88.3Confident109 Ų10946 Ų4658%0.58330%0.301SS*.SBendtrans-93.3119.4-174.7-58.3-47.1000111N49 G53 A54N49-D51 VanDerWaalsContact C-N 3.29Å; N49-D51 PolarHBondContact O-N 2.82Å; D51-G53 PolarHBondContact O-N 3.42Å; D51-A54 HydrophobicContact CB-CB 3.61Å; D51-A54 PolarHBondContact O-N 2.98Å
52V73.5Confident88.5Confident135 Ų13545.9 Ų45.982%0.81829%0.288SS*.THydrogen-bonded Turntrans-66.9115176.7-177.10000109.1
53G70.1Confident88.6Confident84 Ų8446.1 Ų46.187%0.86628%0.281SS*.THydrogen-bonded Turntrans95.2-1.618000000115.4D51D51-G53 PolarHBondContact O-N 3.42Å
54A75.8Confident88.3Confident57 Ų5751.2 Ų51.247%0.47130%0.297SS..SBendtrans-79.3178171.800000112.6D51D51-A54 HydrophobicContact CB-CB 3.61Å; D51-A54 PolarHBondContact O-N 2.98Å
55Q84.4Confident87.7Confident123 Ų12351.2 Ų51.258%0.57530%0.297SS*.PPolyproline II helixtrans-61.9138.7175.3-68.2-173.3-6.300111.1
56S91.4Very high87.1Confident24 Ų2450.9 Ų50.917%0.16830%0.297CS..PPolyproline II helixtrans-67.9139.9176.2-46.30000111.2R38 V39 N49R38-S56 VanDerWaalsContact NE-CB 3.3Å; R38-S56 PolarHBondContact NE-OG 3.16Å; R38-S56 PolarHBondContact NH2-OG 2.96Å; V39-S56 WeakPolarHBondContact O-CB 3.39Å; N49-S56 WeakPolarHBondContact OD1-CA 3.43Å
57D94.6Very high86.6Confident1 Ų153.9 Ų53.91%0.00530%0.295CS..PPolyproline II helixtrans-63.8142.9172.4-68.4-25000111.2V39 L48 N49 I149 W151 P152 R155V39-D57 HydrophobicContact CB-CB 4.4Å; V39-D57 PolarHBondContact N-O 3.44Å; L48-D57 VanDerWaalsContact CA-OD2 3.25Å; L48-D57 WeakPolarHBondContact CA-OD2 3.37Å; N49-D57 PolarHBondContact N-OD2 2.77Å; N49-D57 PolarHBondContact OD1-N 2.89Å; D57-I149 HydrophobicContact CB-CG2 4.41Å; D57-W151 WeakPolarHBondContact CA-O 3.39Å; D57-P152 WeakPolarHBondContact OD1-CD 3.28Å; D57-R155 IonicContact OD1-CZ 3.99Å; D57-R155 IonicContact OD1-NH1 2.81Å; D57-R155 PolarHBondContact OD1-NH1 3.32Å; D57-R155 IonicContact OD2-CZ 2.96Å; D57-R155 IonicContact OD2-NH1 3.68Å; D57-R155 PolarHBondContact OD2-NH1 2.63Å; D57-R155 IonicContact OD2-NH2 2.64Å
58V95.4Very high86.2Confident27 Ų2755.3 Ų55.316%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-112.6125.2166.5-174.30000107.7V36 A37 I150 W151V36-V58 HydrophobicContact CG1-CG1 3.23Å; A37-V58 CarbonylContact O-C 3.54Å; A37-V58 WeakPolarHBondContact O-CA 3.25Å; V58-I150 HydrophobicContact CB-CG1 4.11Å; V58-I150 HydrophobicContact CG1-CD1 3.98Å; V58-I150 HydrophobicContact CG1-CG1 3.89Å; V58-I150 WeakPolarHBondContact O-CG1 3.35Å; V58-I150 PolarHBondContact O-N 3.42Å; V58-W151 HydrophobicContact CB-CB 3.74Å; V58-W151 HydrophobicContact CG2-CB 3.82Å; V58-W151 HydrophobicContact CG2-CG 4.35Å; V58-W151 PolarHBondContact N-O 2.8Å; V58-W151 PolarHBondContact O-N 2.9Å
59V95.9Very high85.6Confident0 Ų060.9 Ų60.90%034%0.335CS..EExtended strand (participates in β ladder)trans-111.8144-178.8-610000111.1A37 V39 L48 L61 I90 A146 H148 I149 I159A37-V59 HydrophobicContact CB-CG2 4.15Å; A37-V59 PolarHBondContact N-O 3.4Å; A37-V59 PolarHBondContact O-N 3.07Å; V39-V59 HydrophobicContact CG2-CB 4.36Å; V39-V59 HydrophobicContact CG2-CG1 3.78Å; V39-V59 HydrophobicContact CG2-CG2 3.7Å; L48-V59 HydrophobicContact CD2-CG1 4.14Å; V59-L61 HydrophobicContact CG2-CD2 3.71Å; V59-L61 HydrophobicContact CG2-CG 4.37Å; V59-I90 HydrophobicContact CG2-CD1 4.04Å; V59-A146 HydrophobicContact CB-CB 4.44Å; V59-A146 HydrophobicContact CG2-CB 4.47Å; V59-H148 CarbonylContact C-O 3.55Å; V59-H148 VanDerWaalsContact CA-O 3.26Å; V59-H148 WeakPolarHBondContact CA-O 3.38Å; V59-I149 HydrophobicContact CG1-CG1 4.34Å; V59-I159 HydrophobicContact CG1-CD1 4.33Å
60L94.7Very high85.4Confident47 Ų4765.1 Ų65.125%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-90.8110.4171.2-173.267.6000109.6A34 V36 S147 H148 I150A34-L60 HydrophobicContact CB-CD1 4.07Å; V36-L60 HydrophobicContact CG2-CD1 3.93Å; L60-S147 PolarHBondContact O-N 2.64Å; L60-S147 PolarHBondContact O-OG 2.68Å; L60-H148 HydrophobicContact CB-CB 4.31Å; L60-H148 PolarHBondContact N-O 3.5Å; L60-I150 HydrophobicContact CB-CG2 3.97Å
61L93.9Very high85.6Confident1 Ų163.4 Ų63.41%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-87.4121.9175.8-53.8-173.4000110.6A34 Y35 A37 V59 S78 R145 A146A34-L61 CarbonylContact C-O 3.58Å; A34-L61 WeakPolarHBondContact CA-O 3.43Å; Y35-L61 HydrophobicContact CD1-CD1 3.87Å; Y35-L61 HydrophobicContact CD1-CG 4.39Å; Y35-L61 PolarHBondContact N-O 2.83Å; Y35-L61 WeakPolarHBondContact O-CA 3.36Å; Y35-L61 WeakPolarHBondContact O-CB 3.49Å; Y35-L61 PolarHBondContact O-N 3.16Å; A37-L61 HydrophobicContact CB-CD1 3.88Å; A37-L61 HydrophobicContact CB-CG 4.07Å; V59-L61 HydrophobicContact CG2-CD2 3.71Å; V59-L61 HydrophobicContact CG2-CG 4.37Å; L61-S78 VanDerWaalsContact CD1-CB 3.47Å; L61-R145 CarbonylContact C-O 3.51Å; L61-R145 WeakPolarHBondContact CA-O 3.23Å; L61-A146 HydrophobicContact CD2-CB 3.77Å
62N91.9Very high86.1Confident48 Ų4863.8 Ų63.826%0.25734%0.341SS..EExtended strand (participates in β ladder)trans-85110.7170.3-176.3-23.5000109.4W64 S65 R145N62-W64 WeakPolarHBondContact OD1-CA 3.39Å; N62-W64 WeakPolarHBondContact OD1-CB 3.46Å; N62-W64 PolarHBondContact OD1-N 2.94Å; N62-S65 PolarHBondContact OD1-N 2.84Å; N62-R145 PolarHBondContact N-O 3.02Å; N62-R145 PolarHBondContact O-N 2.69Å
63R88.5Confident87.1Confident43 Ų4362.7 Ų62.716%0.16232%0.322CS..SBendtrans-81.7-23.7177.3-66.5-170.6167.4156.1-1.4112.7D31 K32 L33 V66 R67 H143D31-R63 PolarHBondContact O-NH1 3.27Å; D31-R63 IonicContact OD1-NH1 3.85Å; K32-R63 WeakPolarHBondContact O-CB 3.43Å; L33-R63 PolarHBondContact O-N 2.77Å; R63-V66 PolarHBondContact O-N 2.75Å; R63-R67 PolarHBondContact O-N 2.83Å; R63-H143 WeakPolarHBondContact CG-O 3.33Å; R63-H143 PolarHBondContact NH2-CE1 3.3Å; R63-H143 PolarHBondContact NH2-NE2 2.74Å
64W83.9Confident88.3Confident127 Ų12758.7 Ų58.748%0.48128%0.281SS..Hα-helixtrans-70-40.8179.3-170.6-95.6000112.4L33 N62 V66 R67 N68L33-W64 HydrophobicContact CD2-CB 4.04Å; L33-W64 HydrophobicContact CD2-CD2 3.82Å; L33-W64 HydrophobicContact CD2-CE3 3.16Å; L33-W64 HydrophobicContact CD2-CG 4.22Å; L33-W64 HydrophobicContact CD2-CZ3 3.8Å; N62-W64 WeakPolarHBondContact OD1-CA 3.39Å; N62-W64 WeakPolarHBondContact OD1-CB 3.46Å; N62-W64 PolarHBondContact OD1-N 2.94Å; W64-V66 PolarHBondContact O-N 2.85Å; W64-V66 VanDerWaalsContact O-N 3.16Å; W64-R67 PolarHBondContact O-N 2.82Å; W64-R67 VanDerWaalsContact O-N 3.08Å; W64-N68 PolarHBondContact NE1-ND2 2.84Å; W64-N68 VanDerWaalsContact NE1-ND2 3.11Å; W64-N68 PolarHBondContact O-N 2.84Å
65S79.3Confident89.3Confident2 Ų256.2 Ų56.21%0.01426%0.26CS..Hα-helixtrans-54.3-36.2175.8-159.60000111.6N62 Q70 R145N62-S65 PolarHBondContact OD1-N 2.84Å; S65-Q70 WeakPolarHBondContact O-CA 3.14Å; S65-Q70 WeakPolarHBondContact O-CB 3.25Å; S65-Q70 PolarHBondContact O-N 3.47Å; S65-Q70 PolarHBondContact OG-O 3.27Å; S65-R145 PolarHBondContact OG-NH1 3.32Å
66V80.3Confident89.9Confident20 Ų2050.4 Ų50.412%0.12123%0.233CC..Hα-helixtrans-71.3-44.8178.4168.60000111.9R63 W64 N68 N69 L142R63-V66 PolarHBondContact O-N 2.75Å; W64-V66 PolarHBondContact O-N 2.85Å; W64-V66 VanDerWaalsContact O-N 3.16Å; V66-N68 PolarHBondContact O-N 3.45Å; V66-N69 PolarHBondContact O-N 3.23Å; V66-L142 HydrophobicContact CB-CD2 3.92Å; V66-L142 HydrophobicContact CB-CG 4.34Å; V66-L142 HydrophobicContact CG1-CB 3.72Å; V66-L142 HydrophobicContact CG1-CD2 3.59Å; V66-L142 HydrophobicContact CG1-CG 3.79Å; V66-L142 HydrophobicContact CG2-CD2 3.42Å; V66-L142 VanDerWaalsContact CG2-CD2 3.42Å; V66-L142 HydrophobicContact CG2-CG 3.73Å
67R79.8Confident90.1Very high165 Ų16549.2 Ų49.262%0.62323%0.225SC*.Hα-helixtrans-61-32.2179.6-72-176178.6-143.8-2.9113.1R63 W64 N69R63-R67 PolarHBondContact O-N 2.83Å; W64-R67 PolarHBondContact O-N 2.82Å; W64-R67 VanDerWaalsContact O-N 3.08Å; R67-N69 VanDerWaalsContact C-N 3.29Å
68N82.7Confident90.1Very high81 Ų8149.6 Ų49.643%0.43323%0.227SC..THydrogen-bonded Turntrans-90.511.9179.7-67.82.8000113W64 V66 Q70W64-N68 PolarHBondContact NE1-ND2 2.84Å; W64-N68 VanDerWaalsContact NE1-ND2 3.11Å; W64-N68 PolarHBondContact O-N 2.84Å; V66-N68 PolarHBondContact O-N 3.45Å; N68-Q70 HydrophobicContact CB-CG 3.91Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.09Å
69N78.8Confident90.1Very high118 Ų11848.3 Ų48.363%0.63122%0.22SC*.THydrogen-bonded Turntrans52.129.6-174.8-63.8-32.8000113.5V66 R67 V71V66-N69 PolarHBondContact O-N 3.23Å; R67-N69 VanDerWaalsContact C-N 3.29Å; N69-V71 VanDerWaalsContact C-N 3.25Å; N69-V71 PolarHBondContact O-N 3Å; N69-V71 VanDerWaalsContact O-N 3.1Å
70Q85.9Confident90.1Very high105 Ų10550 Ų5049%0.49123%0.23SC..  trans-89.164.2178.2-63.9-177.4-4400109.9S65 N68S65-Q70 WeakPolarHBondContact O-CA 3.14Å; S65-Q70 WeakPolarHBondContact O-CB 3.25Å; S65-Q70 PolarHBondContact O-N 3.47Å; S65-Q70 PolarHBondContact OG-O 3.27Å; N68-Q70 HydrophobicContact CB-CG 3.91Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.09Å
71V92Very high90.1Very high14 Ų1447.9 Ų47.99%0.08522%0.219CC..  trans-112.9129.6173.2-176.50000108.1N69 D75 V77 V93 L96 L118 L142N69-V71 VanDerWaalsContact C-N 3.25Å; N69-V71 PolarHBondContact O-N 3Å; N69-V71 VanDerWaalsContact O-N 3.1Å; V71-D75 HydrophobicContact CG1-CB 4.44Å; V71-V77 HydrophobicContact CG1-CG1 4.19Å; V71-V93 HydrophobicContact CG1-CG1 4.39Å; V71-V93 HydrophobicContact CG1-CG2 3.81Å; V71-L96 HydrophobicContact CG1-CD2 4.35Å; V71-L118 HydrophobicContact CG1-CD1 4.34Å; V71-L118 HydrophobicContact CG1-CD2 4.48Å; V71-L142 HydrophobicContact CG2-CD2 3.41Å; V71-L142 VanDerWaalsContact CG2-CD2 3.41Å
72Q94.6Very high90.1Very high117 Ų11750.6 Ų50.655%0.54724%0.237SC..  trans-116.6160-179.2-63177.542.800110.1G74 D75Q72-G74 PolarHBondContact O-N 2.91Å; Q72-D75 PolarHBondContact N-OD2 3.24Å; Q72-D75 VanDerWaalsContact O-CB 3.25Å; Q72-D75 WeakPolarHBondContact O-CB 3.37Å; Q72-D75 PolarHBondContact O-N 3.28Å; Q72-D75 VanDerWaalsContact O-N 3.16Å
73R95.6Very high90.1Very high112 Ų11255.8 Ų55.842%0.42325%0.253SS..THydrogen-bonded Turntrans-59.2140.6170.9-57.8177.5-170.3147.80109.4D75 L96 D99 L163R73-D75 VanDerWaalsContact C-N 3.25Å; R73-D75 PolarHBondContact O-N 3.12Å; R73-L96 HydrophobicContact CG-CD1 4.07Å; R73-L96 HydrophobicContact CG-CG 3.86Å; R73-D99 IonicContact CZ-OD1 3.49Å; R73-D99 IonicContact CZ-OD2 3.36Å; R73-D99 IonicContact NE-OD1 2.71Å; R73-D99 IonicContact NE-OD2 3.52Å; R73-D99 PolarHBondContact NE-OD2 2.81Å; R73-D99 VanDerWaalsContact NH2-CG 3.29Å; R73-D99 IonicContact NH2-OD1 2.63Å; R73-D99 PolarHBondContact NH2-OD1 3.49Å; R73-D99 IonicContact NH2-OD2 3.32Å; R73-D99 PolarHBondContact NH2-OD2 3.24Å; R73-L163 HydrophobicContact CB-CD1 4.02Å; R73-L163 HydrophobicContact CB-CD2 4.27Å; R73-L163 HydrophobicContact CB-CG 4.35Å
74G95.5Very high90.3Very high0 Ų057.1 Ų57.10%026%0.263CS..THydrogen-bonded Turntrans80.6-4.4-17600000115.1Q72 R92 V93 P161 S162Q72-G74 PolarHBondContact O-N 2.91Å; G74-R92 PolarHBondContact O-NH1 3.43Å; G74-R92 VanDerWaalsContact O-NH1 3.07Å; G74-V93 WeakPolarHBondContact CA-O 3.33Å; G74-V93 PolarHBondContact N-O 2.9Å; G74-P161 WeakPolarHBondContact O-CA 3.45Å; G74-S162 WeakPolarHBondContact CA-O 3.5Å; G74-S162 PolarHBondContact O-N 2.8Å; G74-S162 VanDerWaalsContact O-N 3.15Å
75D96.4Very high90.7Very high6 Ų656.1 Ų56.13%0.03227%0.273CS..  trans-64.9147.6171.7-84.3-28.7000111.3V71 Q72 R73 V77 R92 V93 R145 P161V71-D75 HydrophobicContact CG1-CB 4.44Å; Q72-D75 PolarHBondContact N-OD2 3.24Å; Q72-D75 VanDerWaalsContact O-CB 3.25Å; Q72-D75 WeakPolarHBondContact O-CB 3.37Å; Q72-D75 PolarHBondContact O-N 3.28Å; Q72-D75 VanDerWaalsContact O-N 3.16Å; R73-D75 VanDerWaalsContact C-N 3.25Å; R73-D75 PolarHBondContact O-N 3.12Å; D75-V77 HydrophobicContact CB-CG1 4.31Å; D75-R92 CarbonylContact O-C 3.46Å; D75-R92 WeakPolarHBondContact O-CA 3.28Å; D75-V93 HydrophobicContact CB-CG2 4.33Å; D75-V93 PolarHBondContact O-N 2.77Å; D75-R145 HydrophobicContact CB-CG 4.19Å; D75-R145 VanDerWaalsContact OD2-CD 3.32Å; D75-R145 WeakPolarHBondContact OD2-CD 3.47Å; D75-P161 WeakPolarHBondContact OD1-CG 3.23Å
76I96.1Very high91.4Very high0 Ų065.7 Ų65.70%031%0.314CS..EExtended strand (participates in β ladder)trans-97.5126168.7-61.3175.8000108.1M44 F47 L48 I90 K91 R145 A146 I159M44-I76 HydrophobicContact CE-CB 4.44Å; M44-I76 HydrophobicContact CE-CD1 3.77Å; M44-I76 HydrophobicContact CE-CG1 3.84Å; M44-I76 HydrophobicContact CE-CG2 3.81Å; F47-I76 HydrophobicContact CD1-CD1 3.29Å; F47-I76 HydrophobicContact CE1-CD1 3.24Å; F47-I76 HydrophobicContact CG-CD1 4.34Å; F47-I76 HydrophobicContact CZ-CD1 4.23Å; L48-I76 HydrophobicContact CD1-CG2 4.45Å; I76-I90 HydrophobicContact CG2-CD1 3.65Å; I76-I90 HydrophobicContact CG2-CG1 3.44Å; I76-I90 VanDerWaalsContact CG2-CG1 3.44Å; I76-K91 CarbonylContact C-O 3.58Å; I76-K91 WeakPolarHBondContact CA-O 3.12Å; I76-R145 CarbonylContact O-C 3.53Å; I76-A146 HydrophobicContact CB-CB 4.05Å; I76-A146 HydrophobicContact CG2-CB 3.91Å; I76-A146 PolarHBondContact O-N 2.96Å; I76-I159 HydrophobicContact CD1-CG2 4.01Å; I76-I159 HydrophobicContact CG1-CG2 4.43Å
77V96.1Very high92Very high0 Ų069.3 Ų69.30%033%0.33CS..EExtended strand (participates in β ladder)trans-127.9143.7-174.5-63.40000111.3V71 D75 V79 I90 K91 V93 I120 L142 G144 R145V71-V77 HydrophobicContact CG1-CG1 4.19Å; D75-V77 HydrophobicContact CB-CG1 4.31Å; V77-V79 HydrophobicContact CG2-CG1 4.17Å; V77-I90 WeakPolarHBondContact O-CA 3.28Å; V77-K91 PolarHBondContact N-O 2.88Å; V77-K91 PolarHBondContact O-N 3.1Å; V77-V93 HydrophobicContact CB-CG2 4.33Å; V77-V93 HydrophobicContact CG1-CG2 3.72Å; V77-V93 HydrophobicContact CG2-CG2 3.63Å; V77-I120 HydrophobicContact CG2-CG2 4.2Å; V77-L142 HydrophobicContact CB-CD1 3.53Å; V77-L142 HydrophobicContact CG1-CD1 3.93Å; V77-L142 HydrophobicContact CG2-CD1 3.75Å; V77-G144 WeakPolarHBondContact CA-O 3.45Å; V77-R145 HydrophobicContact CG1-CG 4.32Å
78S95.6Very high92.7Very high8 Ų865.9 Ų65.96%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-92.3127.7165.2-176.90000108.7L61 I89 H143 G144L61-S78 VanDerWaalsContact CD1-CB 3.47Å; S78-I89 CarbonylContact C-O 3.54Å; S78-I89 VanDerWaalsContact CA-O 3.27Å; S78-I89 WeakPolarHBondContact CA-O 3.37Å; S78-H143 WeakPolarHBondContact O-CA 3.5Å; S78-H143 WeakPolarHBondContact O-CB 3.27Å; S78-H143 PolarHBondContact O-N 2.92Å; S78-G144 PolarHBondContact N-O 2.78Å; S78-G144 PolarHBondContact O-N 3.36Å
79V95.3Very high93.3Very high1 Ų162.7 Ų62.71%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-123.4151.4174.4-60.60000109.9V77 K88 I89 I120 V137 L141 L142V77-V79 HydrophobicContact CG2-CG1 4.17Å; V79-K88 CarbonylContact O-C 3.27Å; V79-K88 WeakPolarHBondContact O-CA 3.45Å; V79-I89 HydrophobicContact CG2-CD1 3.79Å; V79-I89 HydrophobicContact CG2-CG1 3.36Å; V79-I89 PolarHBondContact N-O 3.41Å; V79-I89 PolarHBondContact O-N 2.99Å; V79-I120 HydrophobicContact CG1-CD1 4.2Å; V79-I120 HydrophobicContact CG2-CD1 3.57Å; V79-V137 HydrophobicContact CB-CG1 4.45Å; V79-V137 HydrophobicContact CG1-CG1 4.33Å; V79-L141 CarbonylContact C-O 3.56Å; V79-L141 VanDerWaalsContact CA-O 3.28Å; V79-L141 WeakPolarHBondContact CA-O 3.35Å; V79-L142 HydrophobicContact CG1-CD1 3.5Å; V79-L142 VanDerWaalsContact CG1-CD1 3.5Å
80V95.4Very high94Very high35 Ų3558.1 Ų58.121%0.21228%0.277CS..EExtended strand (participates in β ladder)trans-69.6129.7163.5179.40000107.9P82 P85 L141V80-P82 WeakPolarHBondContact O-CD 3.47Å; V80-P85 HydrophobicContact CG1-CB 4.49Å; V80-P85 WeakPolarHBondContact CG1-O 3.38Å; V80-L141 HydrophobicContact CB-CD2 4.22Å; V80-L141 PolarHBondContact N-O 2.75Å
81S94.4Very high94.5Very high2 Ų253.3 Ų53.31%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-64.4125.9-177.51750000110.5R83 N84 Q87S81-R83 PolarHBondContact O-N 3.45Å; S81-R83 PolarHBondContact OG-N 2.79Å; S81-N84 WeakPolarHBondContact CB-O 3.48Å; S81-N84 CarbonylContact O-C 3.53Å; S81-N84 VanDerWaalsContact O-C 3.27Å; S81-N84 PolarHBondContact O-N 3.44Å; S81-N84 PolarHBondContact OG-N 3.06Å; S81-Q87 WeakPolarHBondContact CB-O 3.46Å; S81-Q87 PolarHBondContact N-O 3.16Å
82P93.6Very high94.7Very high59 Ų5953 Ų5338%0.38325%0.252SS..THydrogen-bonded Turntrans-60.1-25.6174.4-21.731.1000113.1V80 F134 V137 L141V80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-F134 HydrophobicContact CG-CD2 4.08Å; P82-F134 HydrophobicContact CG-CE2 4.23Å; P82-F134 HydrophobicContact CG-CG 4.33Å; P82-V137 HydrophobicContact CG-CG1 4.46Å; P82-V137 HydrophobicContact CG-CG2 4.34Å; P82-L141 HydrophobicContact CB-CD1 4.31Å; P82-L141 HydrophobicContact CG-CD1 3.86Å
83R91.9Very high94.8Very high157 Ų15747.4 Ų47.459%0.59223%0.226SC*.THydrogen-bonded Turntrans-84.6-28.9179-67.7-161.4-179.5-173.4-2.9113.4S81 C133 F134S81-R83 PolarHBondContact O-N 3.45Å; S81-R83 PolarHBondContact OG-N 2.79Å; R83-C133 PolarHBondContact NH2-O 3.03Å; R83-F134 HydrophobicContact CG-CB 4.49Å
84N93.5Very high94.8Very high70 Ų7042.1 Ų42.137%0.37421%0.206SC..EExtended strand (participates in β ladder)trans-145.2101.6-179.2-175.3-6.9000110.4S81 K86 Q87S81-N84 WeakPolarHBondContact CB-O 3.48Å; S81-N84 CarbonylContact O-C 3.53Å; S81-N84 VanDerWaalsContact O-C 3.27Å; S81-N84 PolarHBondContact O-N 3.44Å; S81-N84 PolarHBondContact OG-N 3.06Å; N84-K86 PolarHBondContact O-N 2.85Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 3.24Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å; N84-Q87 HydrophobicContact CB-CB 4.22Å; N84-Q87 PolarHBondContact O-N 3.32Å
85P92.9Very high94.9Very high107 Ų10742.1 Ų42.170%0.69521%0.206SC*.EExtended strand (participates in β ladder)trans-60.5-18.7-177.8-25.634.6000115V80 Q87V80-P85 HydrophobicContact CG1-CB 4.49Å; V80-P85 WeakPolarHBondContact CG1-O 3.38Å; P85-Q87 VanDerWaalsContact C-N 3.3Å
86K93.4Very high94.8Very high203 Ų20343.8 Ų43.888%0.88322%0.215SC*.EExtended strand (participates in β ladder)trans-80.2-13.3176.5-61.8-175.5179.8-1800112.8N84N84-K86 PolarHBondContact O-N 2.85Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 3.24Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å
87Q92.4Very high94.8Very high95 Ų9548.9 Ų48.944%0.44424%0.239SC..EExtended strand (participates in β ladder)trans-106.7133.2-176.8-171.9178.51000111S81 N84 P85 I89S81-Q87 WeakPolarHBondContact CB-O 3.46Å; S81-Q87 PolarHBondContact N-O 3.16Å; N84-Q87 HydrophobicContact CB-CB 4.22Å; N84-Q87 PolarHBondContact O-N 3.32Å; P85-Q87 VanDerWaalsContact C-N 3.3Å; Q87-I89 HydrophobicContact CG-CG2 4.34Å
88K94Very high94.7Very high93 Ų9350 Ų5040%0.40425%0.25SS..EExtended strand (participates in β ladder)trans-100.6136.1167.3-63.1174.5-170.9169.50108.8V79 H143V79-K88 CarbonylContact O-C 3.27Å; V79-K88 WeakPolarHBondContact O-CA 3.45Å; K88-H143 PolarHBondContact NZ-CE1 2.94Å; K88-H143 PolarHBondContact NZ-NE2 3.16Å
89I95Very high94.7Very high15 Ų1550.3 Ų50.38%0.07725%0.252CS..EExtended strand (participates in β ladder)trans-116.5150.7175.160.4176.2000108.8S78 V79 Q87 K91 F134S78-I89 CarbonylContact C-O 3.54Å; S78-I89 VanDerWaalsContact CA-O 3.27Å; S78-I89 WeakPolarHBondContact CA-O 3.37Å; V79-I89 HydrophobicContact CG2-CD1 3.79Å; V79-I89 HydrophobicContact CG2-CG1 3.36Å; V79-I89 PolarHBondContact N-O 3.41Å; V79-I89 PolarHBondContact O-N 2.99Å; Q87-I89 HydrophobicContact CG-CG2 4.34Å; I89-K91 HydrophobicContact CD1-CG 4.26Å; I89-K91 HydrophobicContact CG1-CG 4.44Å; I89-F134 HydrophobicContact CD1-CE1 4.1Å; I89-F134 HydrophobicContact CD1-CZ 4.1Å
90I95.3Very high94.6Very high21 Ų2153.9 Ų53.911%0.10827%0.267CS..EExtended strand (participates in β ladder)trans-114.2128174.4-171.6165.3000108.5V39 M44 L48 V59 I76 V77 A146V39-I90 HydrophobicContact CG1-CG2 3.89Å; V39-I90 HydrophobicContact CG2-CD1 4.03Å; M44-I90 HydrophobicContact CG-CG2 3.91Å; M44-I90 WeakPolarHBondContact CG-O 3.5Å; L48-I90 HydrophobicContact CD1-CD1 3.84Å; L48-I90 HydrophobicContact CD1-CG1 4.46Å; V59-I90 HydrophobicContact CG2-CD1 4.04Å; I76-I90 HydrophobicContact CG2-CD1 3.65Å; I76-I90 HydrophobicContact CG2-CG1 3.44Å; I76-I90 VanDerWaalsContact CG2-CG1 3.44Å; V77-I90 WeakPolarHBondContact O-CA 3.28Å; I90-A146 HydrophobicContact CD1-CB 4.36Å
91K95.8Very high94.6Very high5 Ų552.3 Ų52.32%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-145.1161-174.1-60.7-62.7161.1-172.20110.4S43 M44 I76 V77 I89 I120 S128 L129 D130S43-K91 PolarHBondContact OG-NZ 2.98Å; M44-K91 VanDerWaalsContact SD-CA 3.58Å; I76-K91 CarbonylContact C-O 3.58Å; I76-K91 WeakPolarHBondContact CA-O 3.12Å; V77-K91 PolarHBondContact N-O 2.88Å; V77-K91 PolarHBondContact O-N 3.1Å; I89-K91 HydrophobicContact CD1-CG 4.26Å; I89-K91 HydrophobicContact CG1-CG 4.44Å; K91-I120 HydrophobicContact CB-CB 3.78Å; K91-I120 HydrophobicContact CB-CD1 3.9Å; K91-I120 HydrophobicContact CB-CG1 4.01Å; K91-I120 HydrophobicContact CG-CD1 3.92Å; K91-I120 HydrophobicContact CG-CG1 4.21Å; K91-S128 PolarHBondContact NZ-OG 2.87Å; K91-L129 WeakPolarHBondContact CE-O 3.25Å; K91-D130 HydrophobicContact CD-CB 4.13Å
92R96.4Very high94.5Very high6 Ų657.8 Ų57.82%0.02328%0.278CS..EExtended strand (participates in β ladder)trans-89.1137.5171.9-171.1176-63.3-80.8-4.5110.5M44 G74 D75 I94 I120 E121 D123 S162M44-R92 HydrophobicContact CE-CB 4.33Å; G74-R92 PolarHBondContact O-NH1 3.43Å; G74-R92 VanDerWaalsContact O-NH1 3.07Å; D75-R92 CarbonylContact O-C 3.46Å; D75-R92 WeakPolarHBondContact O-CA 3.28Å; R92-I94 HydrophobicContact CB-CD1 4.46Å; R92-I94 HydrophobicContact CG-CD1 4.21Å; R92-I94 PolarHBondContact O-N 3.31Å; R92-I120 CarbonylContact O-C 3.57Å; R92-I120 WeakPolarHBondContact O-CA 3.27Å; R92-E121 PolarHBondContact N-O 3.33Å; R92-E121 PolarHBondContact O-N 3.25Å; R92-D123 IonicContact CZ-OD1 2.62Å; R92-D123 IonicContact CZ-OD2 2.58Å; R92-D123 IonicContact NE-OD1 3.27Å; R92-D123 PolarHBondContact NE-OD1 3.49Å; R92-D123 IonicContact NE-OD2 3.96Å; R92-D123 PolarHBondContact NE-OD2 2.71Å; R92-D123 IonicContact NH2-OD1 3.66Å; R92-D123 IonicContact NH2-OD2 3.62Å; R92-D123 PolarHBondContact NH2-OD2 2.84Å; R92-S162 WeakPolarHBondContact CD-O 3.26Å; R92-S162 PolarHBondContact NH1-O 3.47Å; R92-S162 PolarHBondContact NH1-OG 2.74Å
93V96.8Very high94.3Very high0 Ų055.5 Ų55.50%026%0.263CS..EExtended strand (participates in β ladder)trans-76.8119171.7-177.90000108.3V71 G74 D75 V77 L96 L118 I120 L163V71-V93 HydrophobicContact CG1-CG1 4.39Å; V71-V93 HydrophobicContact CG1-CG2 3.81Å; G74-V93 WeakPolarHBondContact CA-O 3.33Å; G74-V93 PolarHBondContact N-O 2.9Å; D75-V93 HydrophobicContact CB-CG2 4.33Å; D75-V93 PolarHBondContact O-N 2.77Å; V77-V93 HydrophobicContact CB-CG2 4.33Å; V77-V93 HydrophobicContact CG1-CG2 3.72Å; V77-V93 HydrophobicContact CG2-CG2 3.63Å; V93-L96 HydrophobicContact CG1-CD2 3.76Å; V93-L118 HydrophobicContact CG1-CD2 4.22Å; V93-L118 HydrophobicContact CG2-CD1 4.4Å; V93-I120 HydrophobicContact CG2-CG2 4.25Å; V93-L163 WeakPolarHBondContact O-CD2 3.48Å
94I96.1Very high94.1Very high1 Ų152.1 Ų52.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-99-43.6177.2-57-55.5000110R92 I101 W119 E121 L163 P164 R167R92-I94 HydrophobicContact CB-CD1 4.46Å; R92-I94 HydrophobicContact CG-CD1 4.21Å; R92-I94 PolarHBondContact O-N 3.31Å; I94-I101 HydrophobicContact CG2-CD1 4.27Å; I94-I101 HydrophobicContact CG2-CG2 4.43Å; I94-W119 PolarHBondContact N-O 3.49Å; I94-E121 HydrophobicContact CD1-CB 4.29Å; I94-E121 HydrophobicContact CG1-CB 3.71Å; I94-E121 HydrophobicContact CG1-CG 3.67Å; I94-L163 HydrophobicContact CD1-CD2 4.17Å; I94-P164 HydrophobicContact CD1-CG 4.12Å; I94-R167 HydrophobicContact CD1-CB 4.48Å; I94-R167 HydrophobicContact CG2-CB 4.16Å; I94-R167 WeakPolarHBondContact CG2-O 3.36Å
95G95.6Very high93.7Very high0 Ų053.7 Ų53.70%027%0.273CS..EExtended strand (participates in β ladder)trans-131.7144.9179.700000112.8D99 W119G95-D99 VanDerWaalsContact CA-OD2 3.27Å; G95-D99 WeakPolarHBondContact CA-OD2 3.39Å; G95-W119 PolarHBondContact N-O 2.79Å; G95-W119 VanDerWaalsContact N-O 3.16Å; G95-W119 PolarHBondContact O-N 2.78Å
96L95.9Very high93.4Very high41 Ų4151.2 Ų51.222%0.21525%0.25CC..  trans-99.3177170-60-180000110.2V71 R73 V93 G98 D99 V113 L118V71-L96 HydrophobicContact CG1-CD2 4.35Å; R73-L96 HydrophobicContact CG-CD1 4.07Å; R73-L96 HydrophobicContact CG-CG 3.86Å; V93-L96 HydrophobicContact CG1-CD2 3.76Å; L96-G98 PolarHBondContact O-N 3.37Å; L96-D99 PolarHBondContact N-OD2 2.93Å; L96-D99 VanDerWaalsContact O-CB 3.25Å; L96-D99 WeakPolarHBondContact O-CB 3.15Å; L96-D99 VanDerWaalsContact O-CG 3.31Å; L96-D99 PolarHBondContact O-N 2.76Å; L96-D99 VanDerWaalsContact O-N 3.16Å; L96-V113 WeakPolarHBondContact O-CB 3.34Å; L96-V113 WeakPolarHBondContact O-CG1 3.26Å; L96-L118 HydrophobicContact CD2-CD2 3.41Å; L96-L118 VanDerWaalsContact CD2-CD2 3.41Å
97E94.9Very high93.1Very high107 Ų10750.1 Ų50.150%0.525%0.245SC..THydrogen-bonded Turntrans-52.2136.517559.4-176.5-168.700112.6D99 G116 H117E97-D99 VanDerWaalsContact C-N 3.26Å; E97-D99 PolarHBondContact O-N 2.77Å; E97-G116 PolarHBondContact OE2-N 2.99Å; E97-H117 PolarHBondContact N-O 2.82Å
98G94.4Very high92.9Very high24 Ų2450.5 Ų50.525%0.24725%0.25CS..THydrogen-bonded Turntrans86.4-21.2-178.200000114.9L96 V113L96-G98 PolarHBondContact O-N 3.37Å; G98-V113 PolarHBondContact N-O 2.83Å
99D95.2Very high92.7Very high15 Ų1554.8 Ų54.88%0.0826%0.264CS..  trans-64.4142.3-177.1-69.1-2.7000112.5R73 G95 L96 E97 I101 R112 V113 P169R73-D99 IonicContact CZ-OD1 3.49Å; R73-D99 IonicContact CZ-OD2 3.36Å; R73-D99 IonicContact NE-OD1 2.71Å; R73-D99 IonicContact NE-OD2 3.52Å; R73-D99 PolarHBondContact NE-OD2 2.81Å; R73-D99 VanDerWaalsContact NH2-CG 3.29Å; R73-D99 IonicContact NH2-OD1 2.63Å; R73-D99 PolarHBondContact NH2-OD1 3.49Å; R73-D99 IonicContact NH2-OD2 3.32Å; R73-D99 PolarHBondContact NH2-OD2 3.24Å; G95-D99 VanDerWaalsContact CA-OD2 3.27Å; G95-D99 WeakPolarHBondContact CA-OD2 3.39Å; L96-D99 PolarHBondContact N-OD2 2.93Å; L96-D99 VanDerWaalsContact O-CB 3.25Å; L96-D99 WeakPolarHBondContact O-CB 3.15Å; L96-D99 VanDerWaalsContact O-CG 3.31Å; L96-D99 PolarHBondContact O-N 2.76Å; L96-D99 VanDerWaalsContact O-N 3.16Å; E97-D99 VanDerWaalsContact C-N 3.26Å; E97-D99 PolarHBondContact O-N 2.77Å; D99-I101 HydrophobicContact CB-CD1 4.07Å; D99-I101 HydrophobicContact CB-CG1 4.33Å; D99-R112 CarbonylContact O-C 3.47Å; D99-R112 WeakPolarHBondContact O-CA 3.49Å; D99-V113 HydrophobicContact CB-CG2 4.23Å; D99-V113 PolarHBondContact O-N 3.42Å; D99-P169 HydrophobicContact CB-CB 4.07Å; D99-P169 HydrophobicContact CB-CG 4.21Å; D99-P169 WeakPolarHBondContact OD2-CG 3.45Å
100F94.6Very high92.5Very high76 Ų7659.7 Ų59.733%0.33328%0.282SS..EExtended strand (participates in β ladder)trans-95.1114.3168.5-77.5-89.2000109.9R112 P169 L170 A172F100-R112 HydrophobicContact CD1-CB 3.99Å; F100-R112 HydrophobicContact CD1-CG 4.38Å; F100-R112 HydrophobicContact CD2-CG 4.4Å; F100-R112 HydrophobicContact CE1-CB 3.69Å; F100-R112 HydrophobicContact CE1-CG 4.02Å; F100-R112 HydrophobicContact CE2-CG 4.03Å; F100-R112 HydrophobicContact CZ-CB 4.04Å; F100-R112 HydrophobicContact CZ-CG 3.84Å; F100-P169 WeakPolarHBondContact O-CA 3.42Å; F100-L170 HydrophobicContact CB-CB 4.22Å; F100-L170 PolarHBondContact O-N 3.24Å; F100-A172 HydrophobicContact CD2-CB 4.36Å; F100-A172 HydrophobicContact CE2-CB 4.42Å
101I93.5Very high92.5Very high1 Ų159.5 Ų59.51%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-112.3128.7-177.1-56.5-58.2000110I94 D99 T103 Y110 V111 V113 W119 P169I94-I101 HydrophobicContact CG2-CD1 4.27Å; I94-I101 HydrophobicContact CG2-CG2 4.43Å; D99-I101 HydrophobicContact CB-CD1 4.07Å; D99-I101 HydrophobicContact CB-CG1 4.33Å; I101-T103 PolarHBondContact O-N 3.37Å; I101-Y110 WeakPolarHBondContact O-CA 3.34Å; I101-V111 PolarHBondContact N-O 3.21Å; I101-V111 PolarHBondContact O-N 2.9Å; I101-V113 HydrophobicContact CG1-CG2 3.97Å; I101-W119 HydrophobicContact CB-CG 4.38Å; I101-W119 HydrophobicContact CG1-CB 4.13Å; I101-W119 HydrophobicContact CG1-CG 4.24Å; I101-W119 HydrophobicContact CG2-CD2 4.34Å; I101-W119 HydrophobicContact CG2-CG 4.05Å; I101-P169 HydrophobicContact CD1-CB 3.91Å; I101-P169 HydrophobicContact CD1-CG 3.88Å
102R92.7Very high92.4Very high117 Ų11766.9 Ų66.944%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-69.8119.2163.3-172.4175.267.2-175.8-3.9109.2R109 Y110 R167 L170R102-R109 CarbonylContact C-O 3.15Å; R102-R109 WeakPolarHBondContact CA-O 3.47Å; R102-R109 HydrophobicContact CG-CG 4.5Å; R102-Y110 HydrophobicContact CB-CD1 4.19Å; R102-Y110 HydrophobicContact CB-CE1 4.11Å; R102-Y110 HydrophobicContact CG-CD1 4.41Å; R102-Y110 HydrophobicContact CG-CE1 4.07Å; R102-R167 VanDerWaalsContact O-CZ 3.32Å; R102-R167 PolarHBondContact O-NH1 2.81Å; R102-R167 PolarHBondContact O-NH2 2.78Å; R102-L170 HydrophobicContact CB-CD1 4.49Å
103T90.7Very high92.4Very high12 Ų1266.7 Ų66.77%0.07431%0.309CS..  trans-83.2156.5178.7820000110.4I101 Y106 N108 R109 V111 W119I101-T103 PolarHBondContact O-N 3.37Å; T103-Y106 HydrophobicContact CG2-CD1 4.46Å; T103-Y106 PolarHBondContact OG1-O 2.82Å; T103-N108 WeakPolarHBondContact CB-O 3.35Å; T103-N108 VanDerWaalsContact CG2-O 3.26Å; T103-N108 WeakPolarHBondContact CG2-O 3.23Å; T103-N108 PolarHBondContact OG1-O 3.41Å; T103-R109 PolarHBondContact N-O 3.15Å; T103-V111 HydrophobicContact CG2-CB 3.99Å; T103-V111 HydrophobicContact CG2-CG2 3.61Å; T103-W119 HydrophobicContact CG2-CH2 3.68Å; T103-W119 HydrophobicContact CG2-CZ2 3.77Å; T103-W119 HydrophobicContact CG2-CZ3 4.46Å
104L87Confident92.4Very high86 Ų8669.5 Ų69.545%0.4533%0.328SS..SBendtrans-93.5-39.2177.5-59.2176.7000111.6N132L104-N132 WeakPolarHBondContact CB-OD1 3.3Å; L104-N132 PolarHBondContact N-OD1 3.07Å
105S85.3Confident92.4Very high103 Ų10375.7 Ų75.772%0.7236%0.361SS*.SBendtrans-151.117.6-177.7-60.90000113.5N132S105-N132 PolarHBondContact N-OD1 3.32Å
106Y86.4Confident92.3Very high55 Ų5576.9 Ų76.922%0.21637%0.372CS..SBendtrans-85.8157.9177.6-167.6-110.5000111.1T103 N108 V111 W119T103-Y106 HydrophobicContact CG2-CD1 4.46Å; T103-Y106 PolarHBondContact OG1-O 2.82Å; Y106-N108 CarbonylContact O-C 3.46Å; Y106-N108 PolarHBondContact O-N 2.92Å; Y106-V111 HydrophobicContact CD1-CG2 3.64Å; Y106-V111 HydrophobicContact CE1-CG2 3.97Å; Y106-W119 AromaticContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CZ3 4.35Å; Y106-W119 HydrophobicContact CD2-CH2 4.35Å; Y106-W119 AromaticContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CZ3 4.5Å
107K86.8Confident92.3Very high179 Ų17977.7 Ų77.778%0.77838%0.375SS*.SBendtrans-31.7-49.4-175.5-63.8-179.2177.3-178.60114.7
108N89.2Confident92.4Very high104 Ų10472.8 Ų72.856%0.55635%0.352SS*.SBendtrans-112.5145.1178.3-62.8-16.8000110.1T103 Y106 Y110 V111T103-N108 WeakPolarHBondContact CB-O 3.35Å; T103-N108 VanDerWaalsContact CG2-O 3.26Å; T103-N108 WeakPolarHBondContact CG2-O 3.23Å; T103-N108 PolarHBondContact OG1-O 3.41Å; Y106-N108 CarbonylContact O-C 3.46Å; Y106-N108 PolarHBondContact O-N 2.92Å; N108-Y110 WeakPolarHBondContact CB-O 3.36Å; N108-Y110 PolarHBondContact O-N 2.87Å; N108-V111 HydrophobicContact CB-CG2 4.5Å
109R89Confident92.5Very high183 Ų18371.6 Ų71.669%0.69134%0.34SS*.SBendtrans-58.7-31.2175-176.2179.8-70.2176.40.3112.7R102 T103R102-R109 CarbonylContact C-O 3.15Å; R102-R109 WeakPolarHBondContact CA-O 3.47Å; R102-R109 HydrophobicContact CG-CG 4.5Å; T103-R109 PolarHBondContact N-O 3.15Å
110Y91.8Very high92.5Very high117 Ų11770.9 Ų70.946%0.45934%0.337SS..EExtended strand (participates in β ladder)trans-126.5139.9177.7-55.9-80.4000109.9I101 R102 N108 L170I101-Y110 WeakPolarHBondContact O-CA 3.34Å; R102-Y110 HydrophobicContact CB-CD1 4.19Å; R102-Y110 HydrophobicContact CB-CE1 4.11Å; R102-Y110 HydrophobicContact CG-CD1 4.41Å; R102-Y110 HydrophobicContact CG-CE1 4.07Å; N108-Y110 WeakPolarHBondContact CB-O 3.36Å; N108-Y110 PolarHBondContact O-N 2.87Å; Y110-L170 HydrophobicContact CD1-CD1 3.37Å; Y110-L170 HydrophobicContact CE1-CD1 3.38Å
111V93.6Very high92.5Very high18 Ų1867.7 Ų67.711%0.10932%0.323CS..EExtended strand (participates in β ladder)trans-135.1127.5175.8168.90000108.6I101 T103 Y106 N108 W119 P136I101-V111 PolarHBondContact N-O 3.21Å; I101-V111 PolarHBondContact O-N 2.9Å; T103-V111 HydrophobicContact CG2-CB 3.99Å; T103-V111 HydrophobicContact CG2-CG2 3.61Å; Y106-V111 HydrophobicContact CD1-CG2 3.64Å; Y106-V111 HydrophobicContact CE1-CG2 3.97Å; N108-V111 HydrophobicContact CB-CG2 4.5Å; V111-W119 HydrophobicContact CB-CZ3 4.22Å; V111-W119 HydrophobicContact CG1-CE3 4.3Å; V111-W119 HydrophobicContact CG1-CZ3 4Å; V111-W119 HydrophobicContact CG2-CZ3 4.35Å; V111-P136 HydrophobicContact CG1-CG 4.22Å
112R95.1Very high92.6Very high160 Ų16068.2 Ų68.260%0.60433%0.328SS*.EExtended strand (participates in β ladder)trans-78.7125.1162.5-168.3-179.8-177175.8-1.7108.8D99 F100 P114D99-R112 CarbonylContact O-C 3.47Å; D99-R112 WeakPolarHBondContact O-CA 3.49Å; F100-R112 HydrophobicContact CD1-CB 3.99Å; F100-R112 HydrophobicContact CD1-CG 4.38Å; F100-R112 HydrophobicContact CD2-CG 4.4Å; F100-R112 HydrophobicContact CE1-CB 3.69Å; F100-R112 HydrophobicContact CE1-CG 4.02Å; F100-R112 HydrophobicContact CE2-CG 4.03Å; F100-R112 HydrophobicContact CZ-CB 4.04Å; F100-R112 HydrophobicContact CZ-CG 3.84Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å
113V96.4Very high92.5Very high1 Ų164.1 Ų64.11%0.00632%0.315CS..PPolyproline II helixtrans-69.7121.9178.4-176.90000109.1L96 G98 D99 I101 H117 W119L96-V113 WeakPolarHBondContact O-CB 3.34Å; L96-V113 WeakPolarHBondContact O-CG1 3.26Å; G98-V113 PolarHBondContact N-O 2.83Å; D99-V113 HydrophobicContact CB-CG2 4.23Å; D99-V113 PolarHBondContact O-N 3.42Å; I101-V113 HydrophobicContact CG1-CG2 3.97Å; V113-H117 HydrophobicContact CG1-CB 4.1Å; V113-H117 VanDerWaalsContact CG1-O 3.28Å; V113-H117 WeakPolarHBondContact CG1-O 3.17Å; V113-W119 HydrophobicContact CG2-CB 3.9Å
114P96.3Very high92.5Very high60 Ų6066.5 Ų66.539%0.3933%0.325SS..PPolyproline II helixtrans-64.3159.3178.8-2132.8000112.7R112 G116 H117 P136R112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-G116 PolarHBondContact O-N 2.89Å; P114-H117 HydrophobicContact CB-CB 4.38Å; P114-H117 WeakPolarHBondContact O-CB 3.45Å; P114-H117 PolarHBondContact O-N 2.87Å; P114-H117 VanDerWaalsContact O-N 3.12Å; P114-P136 HydrophobicContact CG-CB 4.5Å; P114-P136 HydrophobicContact CG-CG 4.33Å
115N95.2Very high92Very high131 Ų13170.5 Ų70.570%0.70133%0.334SS*.THydrogen-bonded Turntrans-56.6139.4173.5-64.5-19.3000111.1H117N115-H117 PolarHBondContact O-N 2.85Å; N115-H117 PolarHBondContact O-ND1 2.8Å
116G94.3Very high91.1Very high24 Ų2469.3 Ų69.325%0.24734%0.339CS..THydrogen-bonded Turntrans66.117.7-177.300000114.9E97 P114 L139E97-G116 PolarHBondContact OE2-N 2.99Å; P114-G116 PolarHBondContact O-N 2.89Å; G116-L139 WeakPolarHBondContact O-CG 3.47Å; G116-L139 PolarHBondContact O-N 2.85Å
117H96.1Very high90Very high58 Ų5873.7 Ų73.727%0.26936%0.361SS..EExtended strand (participates in β ladder)trans-122.3162.8176.4-66.567.5000112.1E97 V113 P114 N115 P136 V137 S138E97-H117 PolarHBondContact N-O 2.82Å; V113-H117 HydrophobicContact CG1-CB 4.1Å; V113-H117 VanDerWaalsContact CG1-O 3.28Å; V113-H117 WeakPolarHBondContact CG1-O 3.17Å; P114-H117 HydrophobicContact CB-CB 4.38Å; P114-H117 WeakPolarHBondContact O-CB 3.45Å; P114-H117 PolarHBondContact O-N 2.87Å; P114-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 PolarHBondContact O-N 2.85Å; N115-H117 PolarHBondContact O-ND1 2.8Å; H117-P136 HydrophobicContact CB-CB 3.91Å; H117-V137 CarbonylContact C-O 3.59Å; H117-V137 VanDerWaalsContact CA-O 3.23Å; H117-V137 WeakPolarHBondContact CA-O 3.35Å; H117-S138 PolarHBondContact CD2-N 3.16Å
118L96.1Very high89.5Confident4 Ų466 Ų662%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-126.1146.2176.5-60.6175.9000109.7V71 V93 L96 I120 P136 V137 L139 L142V71-L118 HydrophobicContact CG1-CD1 4.34Å; V71-L118 HydrophobicContact CG1-CD2 4.48Å; V93-L118 HydrophobicContact CG1-CD2 4.22Å; V93-L118 HydrophobicContact CG2-CD1 4.4Å; L96-L118 HydrophobicContact CD2-CD2 3.41Å; L96-L118 VanDerWaalsContact CD2-CD2 3.41Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; L118-P136 WeakPolarHBondContact O-CA 3.37Å; L118-V137 PolarHBondContact N-O 2.87Å; L118-V137 PolarHBondContact O-N 2.86Å; L118-L139 HydrophobicContact CD1-CD2 3.62Å; L118-L139 HydrophobicContact CD2-CD2 3.81Å; L118-L139 HydrophobicContact CG-CD2 3.59Å; L118-L139 HydrophobicContact CG-CG 4.36Å; L118-L142 HydrophobicContact CD1-CD1 4.11Å
119W96.6Very high89.4Confident0 Ų063.7 Ų63.70%032%0.317CS..EExtended strand (participates in β ladder)trans-97.2113.6161.7-166.1-88.8000109.3I94 G95 I101 T103 Y106 V111 V113 E121 S131 P136I94-W119 PolarHBondContact N-O 3.49Å; G95-W119 PolarHBondContact N-O 2.79Å; G95-W119 VanDerWaalsContact N-O 3.16Å; G95-W119 PolarHBondContact O-N 2.78Å; I101-W119 HydrophobicContact CB-CG 4.38Å; I101-W119 HydrophobicContact CG1-CB 4.13Å; I101-W119 HydrophobicContact CG1-CG 4.24Å; I101-W119 HydrophobicContact CG2-CD2 4.34Å; I101-W119 HydrophobicContact CG2-CG 4.05Å; T103-W119 HydrophobicContact CG2-CH2 3.68Å; T103-W119 HydrophobicContact CG2-CZ2 3.77Å; T103-W119 HydrophobicContact CG2-CZ3 4.46Å; Y106-W119 AromaticContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CZ3 4.35Å; Y106-W119 HydrophobicContact CD2-CH2 4.35Å; Y106-W119 AromaticContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CZ3 4.5Å; V111-W119 HydrophobicContact CB-CZ3 4.22Å; V111-W119 HydrophobicContact CG1-CE3 4.3Å; V111-W119 HydrophobicContact CG1-CZ3 4Å; V111-W119 HydrophobicContact CG2-CZ3 4.35Å; V113-W119 HydrophobicContact CG2-CB 3.9Å; W119-E121 PolarHBondContact NE1-OE1 2.84Å; W119-S131 WeakPolarHBondContact CH2-O 3.44Å; W119-P136 HydrophobicContact CE3-CG 4.11Å; W119-P136 HydrophobicContact CZ3-CG 4.13Å
120I96Very high89.7Confident0 Ų055.6 Ų55.60%029%0.288CS..EExtended strand (participates in β ladder)trans-115.7141.9-178.767.8177.8000112.4V77 V79 K91 R92 V93 L118 S131 F134 V137V77-I120 HydrophobicContact CG2-CG2 4.2Å; V79-I120 HydrophobicContact CG1-CD1 4.2Å; V79-I120 HydrophobicContact CG2-CD1 3.57Å; K91-I120 HydrophobicContact CB-CB 3.78Å; K91-I120 HydrophobicContact CB-CD1 3.9Å; K91-I120 HydrophobicContact CB-CG1 4.01Å; K91-I120 HydrophobicContact CG-CD1 3.92Å; K91-I120 HydrophobicContact CG-CG1 4.21Å; R92-I120 CarbonylContact O-C 3.57Å; R92-I120 WeakPolarHBondContact O-CA 3.27Å; V93-I120 HydrophobicContact CG2-CG2 4.25Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; I120-S131 WeakPolarHBondContact CG1-OG 3.32Å; I120-S131 PolarHBondContact N-OG 3.5Å; I120-S131 WeakPolarHBondContact O-CB 3.15Å; I120-S131 PolarHBondContact O-N 2.98Å; I120-S131 PolarHBondContact O-OG 2.77Å; I120-F134 HydrophobicContact CD1-CZ 4.41Å; I120-V137 HydrophobicContact CD1-CB 4.32Å; I120-V137 HydrophobicContact CD1-CG2 3.69Å; I120-V137 HydrophobicContact CG1-CG2 3.88Å
121E95.3Very high89.8Confident8 Ų850 Ų504%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-137.7156.1-179.4-61.6-168.5160.300112.3R92 I94 W119 N132 R167R92-E121 PolarHBondContact N-O 3.33Å; R92-E121 PolarHBondContact O-N 3.25Å; I94-E121 HydrophobicContact CD1-CB 4.29Å; I94-E121 HydrophobicContact CG1-CB 3.71Å; I94-E121 HydrophobicContact CG1-CG 3.67Å; W119-E121 PolarHBondContact NE1-OE1 2.84Å; E121-N132 PolarHBondContact OE1-ND2 3.17Å; E121-R167 IonicContact OE1-CZ 3.64Å; E121-R167 IonicContact OE1-NE 3.55Å; E121-R167 IonicContact OE1-NH2 2.73Å; E121-R167 PolarHBondContact OE1-NH2 2.88Å; E121-R167 IonicContact OE2-CZ 2.74Å; E121-R167 VanDerWaalsContact OE2-CZ 3.27Å; E121-R167 IonicContact OE2-NE 3.49Å; E121-R167 PolarHBondContact OE2-NE 2.63Å; E121-R167 IonicContact OE2-NH2 3.54Å; E121-R167 PolarHBondContact OE2-NH2 3.46Å
122G94.1Very high89.8Confident12 Ų1249.9 Ų49.912%0.12426%0.264CS..  trans-81.1150.4166.900000111.4S43 H124 S128 D130S43-G122 CarbonylContact O-C 3.55Å; S43-G122 WeakPolarHBondContact O-CA 3.2Å; G122-H124 VanDerWaalsContact C-N 3.26Å; G122-H124 PolarHBondContact O-N 2.84Å; G122-S128 PolarHBondContact N-OG 2.81Å; G122-D130 PolarHBondContact N-OD2 2.8Å
123D91.8Very high89.6Confident32 Ų3245 Ų4517%0.17125%0.254CS..SBendtrans-70.2-27.1173.7-66.6-15.5000111.8S43 Q45 F47 R92S43-D123 PolarHBondContact O-N 2.73Å; Q45-D123 CarbonylContact O-C 3.36Å; Q45-D123 WeakPolarHBondContact O-CB 3.49Å; F47-D123 VanDerWaalsContact CB-OD2 3.24Å; F47-D123 WeakPolarHBondContact CB-OD2 3.24Å; R92-D123 IonicContact CZ-OD1 2.62Å; R92-D123 IonicContact CZ-OD2 2.58Å; R92-D123 IonicContact NE-OD1 3.27Å; R92-D123 PolarHBondContact NE-OD1 3.49Å; R92-D123 IonicContact NE-OD2 3.96Å; R92-D123 PolarHBondContact NE-OD2 2.71Å; R92-D123 IonicContact NH2-OD1 3.66Å; R92-D123 IonicContact NH2-OD2 3.62Å; R92-D123 PolarHBondContact NH2-OD2 2.84Å
124H89.5Confident89.5Confident61 Ų6146.8 Ų46.828%0.28226%0.262SS..SBendtrans-93.9111178-163.2102.8000110.6A42 S43 Q45 G122 H127A42-H124 WeakPolarHBondContact O-CB 3.25Å; S43-H124 PolarHBondContact O-N 2.82Å; Q45-H124 HydrophobicContact CB-CB 4.21Å; Q45-H124 WeakPolarHBondContact O-CA 3.49Å; Q45-H124 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 PolarHBondContact O-N 3.03Å; G122-H124 VanDerWaalsContact C-N 3.26Å; G122-H124 PolarHBondContact O-N 2.84Å; H124-H127 AromaticContact NE2-CD2 3.87Å
125R77.6Confident89.4Confident170 Ų17044 Ų4464%0.64224%0.243SC*.THydrogen-bonded Turntrans-70.4134.7179.7-61.4-174.2-177.6166.12.3110.6
126G66.6Low89.4Confident79 Ų7939.2 Ų39.281%0.81422%0.22SC*.THydrogen-bonded Turntrans96.5-15.517300000116.8
127H64.1Low89.5Confident146 Ų14638.1 Ų38.168%0.67621%0.208SC*.SBendtrans-127.430.3-179.2-71.4-71000113.8H124H124-H127 AromaticContact NE2-CD2 3.87Å
128S75.1Confident89.5Confident18 Ų1837.7 Ų37.713%0.12621%0.211CC..  trans-123.2124-172.3174.70000111.8K91 G122 D130K91-S128 PolarHBondContact NZ-OG 2.87Å; G122-S128 PolarHBondContact N-OG 2.81Å; S128-D130 WeakPolarHBondContact CB-OD2 3.45Å; S128-D130 PolarHBondContact O-N 2.58Å; S128-D130 WeakPolarHBondContact OG-CB 3.49Å; S128-D130 PolarHBondContact OG-OD2 3.18Å
129L88Confident89.4Confident56 Ų5639.6 Ų39.629%0.29322%0.221SC..  trans-78.199.8162.3-171.787.4000108.5K91 C133 F134K91-L129 WeakPolarHBondContact CE-O 3.25Å; L129-C133 HydrophobicContact CD1-CB 4.34Å; L129-F134 HydrophobicContact CD2-CE1 4.34Å; L129-F134 HydrophobicContact CG-CD1 4.2Å; L129-F134 HydrophobicContact CG-CE1 4.06Å
130D93.7Very high89.2Confident13 Ų1343 Ų437%0.0726%0.256CS..SBendtrans-141.1-166.2-176.262.845.7000113.7K91 G122 S128 N132 C133 F134K91-D130 HydrophobicContact CD-CB 4.13Å; G122-D130 PolarHBondContact N-OD2 2.8Å; S128-D130 WeakPolarHBondContact CB-OD2 3.45Å; S128-D130 PolarHBondContact O-N 2.58Å; S128-D130 WeakPolarHBondContact OG-CB 3.49Å; S128-D130 PolarHBondContact OG-OD2 3.18Å; D130-N132 PolarHBondContact O-N 3.43Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.34Å; D130-N132 PolarHBondContact OD1-ND2 2.93Å; D130-N132 VanDerWaalsContact OD1-ND2 3.1Å; D130-C133 WeakPolarHBondContact O-CA 3.48Å; D130-C133 WeakPolarHBondContact O-CB 3.45Å; D130-C133 PolarHBondContact O-N 2.62Å; D130-F134 VanDerWaalsContact C-CE1 3.46Å; D130-F134 VanDerWaalsContact CA-CZ 3.49Å; D130-F134 VanDerWaalsContact O-CD1 3.29Å; D130-F134 WeakPolarHBondContact O-CD1 3.25Å; D130-F134 VanDerWaalsContact O-CE1 3.23Å; D130-F134 WeakPolarHBondContact O-CE1 3.2Å; D130-F134 WeakPolarHBondContact O-CZ 3.29Å; D130-F134 PolarHBondContact O-N 3.41Å
131S94.9Very high89.2Confident0 Ų045.6 Ų45.60%027%0.27CS..Hα-helixtrans-62-22.9-175.2-51.80000113W119 I120 C133 G135W119-S131 WeakPolarHBondContact CH2-O 3.44Å; I120-S131 WeakPolarHBondContact CG1-OG 3.32Å; I120-S131 PolarHBondContact N-OG 3.5Å; I120-S131 WeakPolarHBondContact O-CB 3.15Å; I120-S131 PolarHBondContact O-N 2.98Å; I120-S131 PolarHBondContact O-OG 2.77Å; S131-C133 PolarHBondContact O-N 3.25Å; S131-G135 VanDerWaalsContact CA-O 3.3Å; S131-G135 WeakPolarHBondContact CA-O 3.43Å; S131-G135 VanDerWaalsContact CB-O 3.25Å; S131-G135 WeakPolarHBondContact CB-O 3.49Å; S131-G135 WeakPolarHBondContact O-CA 3.46Å; S131-G135 PolarHBondContact O-N 3.29Å; S131-G135 PolarHBondContact OG-O 3.19Å
132N93Very high89.1Confident15 Ų1546 Ų468%0.0827%0.272CS..Hα-helixtrans-66.9-23171.9-65.4-78.7000112.3L104 S105 E121 D130L104-N132 WeakPolarHBondContact CB-OD1 3.3Å; L104-N132 PolarHBondContact N-OD1 3.07Å; S105-N132 PolarHBondContact N-OD1 3.32Å; E121-N132 PolarHBondContact OE1-ND2 3.17Å; D130-N132 PolarHBondContact O-N 3.43Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.34Å; D130-N132 PolarHBondContact OD1-ND2 2.93Å; D130-N132 VanDerWaalsContact OD1-ND2 3.1Å
133C91.7Very high89.1Confident56 Ų5647.2 Ų47.238%0.37828%0.275SS..Hα-helixtrans-92.5-34.4178.7-570000113.9R83 L129 D130 S131R83-C133 PolarHBondContact NH2-O 3.03Å; L129-C133 HydrophobicContact CD1-CB 4.34Å; D130-C133 WeakPolarHBondContact O-CA 3.48Å; D130-C133 WeakPolarHBondContact O-CB 3.45Å; D130-C133 PolarHBondContact O-N 2.62Å; S131-C133 PolarHBondContact O-N 3.25Å
134F93.1Very high89.1Confident40 Ų4045.7 Ų45.718%0.17527%0.267CS..Hα-helixtrans-125.8-9.6-17351.7-116.2000114.7P82 R83 I89 I120 L129 D130 V137P82-F134 HydrophobicContact CG-CD2 4.08Å; P82-F134 HydrophobicContact CG-CE2 4.23Å; P82-F134 HydrophobicContact CG-CG 4.33Å; R83-F134 HydrophobicContact CG-CB 4.49Å; I89-F134 HydrophobicContact CD1-CE1 4.1Å; I89-F134 HydrophobicContact CD1-CZ 4.1Å; I120-F134 HydrophobicContact CD1-CZ 4.41Å; L129-F134 HydrophobicContact CD2-CE1 4.34Å; L129-F134 HydrophobicContact CG-CD1 4.2Å; L129-F134 HydrophobicContact CG-CE1 4.06Å; D130-F134 VanDerWaalsContact C-CE1 3.46Å; D130-F134 VanDerWaalsContact CA-CZ 3.49Å; D130-F134 VanDerWaalsContact O-CD1 3.29Å; D130-F134 WeakPolarHBondContact O-CD1 3.25Å; D130-F134 VanDerWaalsContact O-CE1 3.23Å; D130-F134 WeakPolarHBondContact O-CE1 3.2Å; D130-F134 WeakPolarHBondContact O-CZ 3.29Å; D130-F134 PolarHBondContact O-N 3.41Å; F134-V137 HydrophobicContact CD2-CG2 4.03Å; F134-V137 HydrophobicContact CE2-CG2 3.23Å; F134-V137 HydrophobicContact CZ-CG2 3.98Å
135G94.8Very high89.4Confident0 Ų044.9 Ų44.90%026%0.261CS..  trans93.4-166.4-178.700000114S131S131-G135 VanDerWaalsContact CA-O 3.3Å; S131-G135 WeakPolarHBondContact CA-O 3.43Å; S131-G135 VanDerWaalsContact CB-O 3.25Å; S131-G135 WeakPolarHBondContact CB-O 3.49Å; S131-G135 WeakPolarHBondContact O-CA 3.46Å; S131-G135 PolarHBondContact O-N 3.29Å; S131-G135 PolarHBondContact OG-O 3.19Å
136P96.1Very high90.3Very high32 Ų3236.9 Ų36.921%0.20823%0.231CC..  trans-59.3145.5178.3-20.832.4000112.3V111 P114 H117 L118 W119V111-P136 HydrophobicContact CG1-CG 4.22Å; P114-P136 HydrophobicContact CG-CB 4.5Å; P114-P136 HydrophobicContact CG-CG 4.33Å; H117-P136 HydrophobicContact CB-CB 3.91Å; L118-P136 WeakPolarHBondContact O-CA 3.37Å; W119-P136 HydrophobicContact CE3-CG 4.11Å; W119-P136 HydrophobicContact CZ3-CG 4.13Å
137V96.2Very high91.6Very high1 Ų133.6 Ų33.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-107.7127.7-177.9-176.60000110.1V79 P82 H117 L118 I120 F134 L141V79-V137 HydrophobicContact CB-CG1 4.45Å; V79-V137 HydrophobicContact CG1-CG1 4.33Å; P82-V137 HydrophobicContact CG-CG1 4.46Å; P82-V137 HydrophobicContact CG-CG2 4.34Å; H117-V137 CarbonylContact C-O 3.59Å; H117-V137 VanDerWaalsContact CA-O 3.23Å; H117-V137 WeakPolarHBondContact CA-O 3.35Å; L118-V137 PolarHBondContact N-O 2.87Å; L118-V137 PolarHBondContact O-N 2.86Å; I120-V137 HydrophobicContact CD1-CB 4.32Å; I120-V137 HydrophobicContact CD1-CG2 3.69Å; I120-V137 HydrophobicContact CG1-CG2 3.88Å; F134-V137 HydrophobicContact CD2-CG2 4.03Å; F134-V137 HydrophobicContact CE2-CG2 3.23Å; F134-V137 HydrophobicContact CZ-CG2 3.98Å; V137-L141 HydrophobicContact CG1-CB 4.06Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å
138S95.8Very high93.1Very high48 Ų4829.5 Ų29.534%0.33618%0.177SC..EExtended strand (participates in β ladder)trans-61.9138.8175.4178.20000111.6H117 G140 L141H117-S138 PolarHBondContact CD2-N 3.16Å; S138-G140 PolarHBondContact O-N 3.38Å; S138-G140 VanDerWaalsContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.11Å; S138-L141 WeakPolarHBondContact O-CB 3.21Å; S138-L141 PolarHBondContact O-N 2.8Å
139L93.8Very high94.1Very high44 Ų4428.7 Ų28.723%0.2317%0.171CC..G310 helixtrans-54.5-26.5171.1-74.4174.5000112.7G116 L118 L141 L142G116-L139 WeakPolarHBondContact O-CG 3.47Å; G116-L139 PolarHBondContact O-N 2.85Å; L118-L139 HydrophobicContact CD1-CD2 3.62Å; L118-L139 HydrophobicContact CD2-CD2 3.81Å; L118-L139 HydrophobicContact CG-CD2 3.59Å; L118-L139 HydrophobicContact CG-CG 4.36Å; L139-L141 PolarHBondContact O-N 2.95Å; L139-L142 WeakPolarHBondContact O-CB 3.32Å; L139-L142 PolarHBondContact O-N 3.1Å
140G93.1Very high94.5Very high71 Ų7128.6 Ų28.673%0.73217%0.17SC*.G310 helixtrans-65.2-19.8176.300000114.4S138 L142S138-G140 PolarHBondContact O-N 3.38Å; S138-G140 VanDerWaalsContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.11Å; G140-L142 VanDerWaalsContact C-N 3.31Å
141L95Very high94.5Very high55 Ų5533.6 Ų33.629%0.28819%0.188SC..G310 helixtrans-86.2-4.6175.5-64.2174.7000112.7V79 V80 P82 V137 S138 L139 H143V79-L141 CarbonylContact C-O 3.56Å; V79-L141 VanDerWaalsContact CA-O 3.28Å; V79-L141 WeakPolarHBondContact CA-O 3.35Å; V80-L141 HydrophobicContact CB-CD2 4.22Å; V80-L141 PolarHBondContact N-O 2.75Å; P82-L141 HydrophobicContact CB-CD1 4.31Å; P82-L141 HydrophobicContact CG-CD1 3.86Å; V137-L141 HydrophobicContact CG1-CB 4.06Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å; S138-L141 WeakPolarHBondContact O-CB 3.21Å; S138-L141 PolarHBondContact O-N 2.8Å; L139-L141 PolarHBondContact O-N 2.95Å; L141-H143 PolarHBondContact O-N 2.78Å
142L94.3Very high94.5Very high17 Ų1734.2 Ų34.29%0.08919%0.192CC..EExtended strand (participates in β ladder)trans-70.7120-177.8-157.470.7000110.6V66 V71 V77 V79 L118 L139 G140V66-L142 HydrophobicContact CB-CD2 3.92Å; V66-L142 HydrophobicContact CB-CG 4.34Å; V66-L142 HydrophobicContact CG1-CB 3.72Å; V66-L142 HydrophobicContact CG1-CD2 3.59Å; V66-L142 HydrophobicContact CG1-CG 3.79Å; V66-L142 HydrophobicContact CG2-CD2 3.42Å; V66-L142 VanDerWaalsContact CG2-CD2 3.42Å; V66-L142 HydrophobicContact CG2-CG 3.73Å; V71-L142 HydrophobicContact CG2-CD2 3.41Å; V71-L142 VanDerWaalsContact CG2-CD2 3.41Å; V77-L142 HydrophobicContact CB-CD1 3.53Å; V77-L142 HydrophobicContact CG1-CD1 3.93Å; V77-L142 HydrophobicContact CG2-CD1 3.75Å; V79-L142 HydrophobicContact CG1-CD1 3.5Å; V79-L142 VanDerWaalsContact CG1-CD1 3.5Å; L118-L142 HydrophobicContact CD1-CD1 4.11Å; L139-L142 WeakPolarHBondContact O-CB 3.32Å; L139-L142 PolarHBondContact O-N 3.1Å; G140-L142 VanDerWaalsContact C-N 3.31Å
143H92.4Very high94.5Very high38 Ų3837.1 Ų37.118%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-92.8-36.3-179-169.658.7000112.7R63 S78 K88 L141R63-H143 WeakPolarHBondContact CG-O 3.33Å; R63-H143 PolarHBondContact NH2-CE1 3.3Å; R63-H143 PolarHBondContact NH2-NE2 2.74Å; S78-H143 WeakPolarHBondContact O-CA 3.5Å; S78-H143 WeakPolarHBondContact O-CB 3.27Å; S78-H143 PolarHBondContact O-N 2.92Å; K88-H143 PolarHBondContact NZ-CE1 2.94Å; K88-H143 PolarHBondContact NZ-NE2 3.16Å; L141-H143 PolarHBondContact O-N 2.78Å
144G93.6Very high94.5Very high0 Ų041.1 Ų41.10%023%0.23CC..EExtended strand (participates in β ladder)trans177.6154.5-178.300000112.7V77 S78V77-G144 WeakPolarHBondContact CA-O 3.45Å; S78-G144 PolarHBondContact N-O 2.78Å; S78-G144 PolarHBondContact O-N 3.36Å
145R95.4Very high94.5Very high44 Ų4441.5 Ų41.517%0.16623%0.23CC..EExtended strand (participates in β ladder)trans-94.7125.9173.7-170.3-16480.5-162.4-0.3110.5L61 N62 S65 D75 I76 V77 S147L61-R145 CarbonylContact C-O 3.51Å; L61-R145 WeakPolarHBondContact CA-O 3.23Å; N62-R145 PolarHBondContact N-O 3.02Å; N62-R145 PolarHBondContact O-N 2.69Å; S65-R145 PolarHBondContact OG-NH1 3.32Å; D75-R145 HydrophobicContact CB-CG 4.19Å; D75-R145 VanDerWaalsContact OD2-CD 3.32Å; D75-R145 WeakPolarHBondContact OD2-CD 3.47Å; I76-R145 CarbonylContact O-C 3.53Å; V77-R145 HydrophobicContact CG1-CG 4.32Å; R145-S147 PolarHBondContact O-N 2.83Å
146A95.4Very high94.5Very high2 Ų250.2 Ų50.22%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-65.2124.8173.900000110.2V59 L61 I76 I90 I159V59-A146 HydrophobicContact CB-CB 4.44Å; V59-A146 HydrophobicContact CG2-CB 4.47Å; L61-A146 HydrophobicContact CD2-CB 3.77Å; I76-A146 HydrophobicContact CB-CB 4.05Å; I76-A146 HydrophobicContact CG2-CB 3.91Å; I76-A146 PolarHBondContact O-N 2.96Å; I90-A146 HydrophobicContact CD1-CB 4.36Å; A146-I159 HydrophobicContact CB-CD1 3.71Å
147S94.6Very high94.5Very high10 Ų1052.8 Ų52.87%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-111.5-38-174.565.60000112.8L60 R145 I159L60-S147 PolarHBondContact O-N 2.64Å; L60-S147 PolarHBondContact O-OG 2.68Å; R145-S147 PolarHBondContact O-N 2.83Å; S147-I159 PolarHBondContact O-N 2.81Å
148H95.5Very high94.5Very high60 Ų6061 Ų6128%0.27830%0.303SS..EExtended strand (participates in β ladder)trans-143.8146.6-177.3-6179.8000109.5V59 L60 I150 Q157V59-H148 CarbonylContact C-O 3.55Å; V59-H148 VanDerWaalsContact CA-O 3.26Å; V59-H148 WeakPolarHBondContact CA-O 3.38Å; L60-H148 HydrophobicContact CB-CB 4.31Å; L60-H148 PolarHBondContact N-O 3.5Å; H148-I150 HydrophobicContact CB-CG2 4.05Å; H148-Q157 CarbonylContact C-O 3.56Å; H148-Q157 VanDerWaalsContact CA-O 3.28Å; H148-Q157 WeakPolarHBondContact CA-O 3.18Å
149I96.2Very high94.5Very high0 Ų059.2 Ų59.20%029%0.29CS..EExtended strand (participates in β ladder)trans-85.9123.6157.1-54.8-179.4000105.5L48 D57 V59 W151 R155 W156 Q157 I159L48-I149 HydrophobicContact CD2-CD1 3.86Å; L48-I149 HydrophobicContact CD2-CG1 4.19Å; D57-I149 HydrophobicContact CB-CG2 4.41Å; V59-I149 HydrophobicContact CG1-CG1 4.34Å; I149-W151 WeakPolarHBondContact CG2-O 3.21Å; I149-R155 WeakPolarHBondContact CB-O 3.15Å; I149-R155 HydrophobicContact CG2-CB 4.25Å; I149-R155 WeakPolarHBondContact CG2-O 3.39Å; I149-W156 WeakPolarHBondContact O-CA 3.21Å; I149-Q157 HydrophobicContact CB-CG 4.3Å; I149-Q157 HydrophobicContact CD1-CG 4Å; I149-Q157 HydrophobicContact CG1-CG 4.24Å; I149-Q157 PolarHBondContact N-O 2.93Å; I149-Q157 PolarHBondContact O-N 3.32Å; I149-I159 HydrophobicContact CG1-CD1 4.05Å; I149-I159 HydrophobicContact CG1-CG1 4.06Å
150I95.9Very high94.5Very high54 Ų5464.6 Ų64.628%0.27731%0.311SS..EExtended strand (participates in β ladder)trans-111.6-13.6-176.862.5169.1000112.8V36 V58 L60 H148V36-I150 HydrophobicContact CG1-CD1 3.84Å; V36-I150 HydrophobicContact CG2-CD1 3.98Å; V58-I150 HydrophobicContact CB-CG1 4.11Å; V58-I150 HydrophobicContact CG1-CD1 3.98Å; V58-I150 HydrophobicContact CG1-CG1 3.89Å; V58-I150 WeakPolarHBondContact O-CG1 3.35Å; V58-I150 PolarHBondContact O-N 3.42Å; L60-I150 HydrophobicContact CB-CG2 3.97Å; H148-I150 HydrophobicContact CB-CG2 4.05Å
151W94.8Very high94.5Very high119 Ų11964.4 Ų64.445%0.45130%0.297SS..EExtended strand (participates in β ladder)trans-151.2145.8174-169.2-88.8000109D57 V58 I149 P153D57-W151 WeakPolarHBondContact CA-O 3.39Å; V58-W151 HydrophobicContact CB-CB 3.74Å; V58-W151 HydrophobicContact CG2-CB 3.82Å; V58-W151 HydrophobicContact CG2-CG 4.35Å; V58-W151 PolarHBondContact N-O 2.8Å; V58-W151 PolarHBondContact O-N 2.9Å; I149-W151 WeakPolarHBondContact CG2-O 3.21Å; W151-P153 HydrophobicContact CD2-CG 4.4Å; W151-P153 HydrophobicContact CE3-CG 3.75Å; W151-P153 HydrophobicContact CH2-CG 3.82Å; W151-P153 HydrophobicContact CZ2-CG 4.43Å; W151-P153 HydrophobicContact CZ3-CG 3.44Å; W151-P153 VanDerWaalsContact CZ3-CG 3.44Å
152P93.8Very high94.4Very high12 Ų1264.4 Ų64.48%0.07830%0.302CS..SBendcis-69.5158.5-3.428.9-34.6000113.6D57 N154 R155 W156D57-P152 WeakPolarHBondContact OD1-CD 3.28Å; P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 VanDerWaalsContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CG-OD1 3.13Å; P152-N154 PolarHBondContact O-N 2.84Å; P152-R155 HydrophobicContact CG-CB 4.26Å; P152-R155 HydrophobicContact CG-CG 4.08Å; P152-R155 PolarHBondContact O-N 3.49Å; P152-W156 PolarHBondContact O-N 3.07Å
153P92.5Very high94.3Very high77 Ų7765.9 Ų65.950%0.531%0.309SS..G310 helixtrans-59.7-32.2-172.1-26.536000114.4W151 R155 W156W151-P153 HydrophobicContact CD2-CG 4.4Å; W151-P153 HydrophobicContact CE3-CG 3.75Å; W151-P153 HydrophobicContact CH2-CG 3.82Å; W151-P153 HydrophobicContact CZ2-CG 4.43Å; W151-P153 HydrophobicContact CZ3-CG 3.44Å; W151-P153 VanDerWaalsContact CZ3-CG 3.44Å; P153-R155 PolarHBondContact O-N 3.01Å; P153-W156 PolarHBondContact O-N 3Å
154N92.7Very high94.2Very high140 Ų14065.8 Ų65.875%0.74931%0.312SS*.G310 helixtrans-66.1-14.8174.862.2-20.7000113.7P152P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 VanDerWaalsContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CG-OD1 3.13Å; P152-N154 PolarHBondContact O-N 2.84Å
155R92.9Very high93.8Very high48 Ų4870.7 Ų70.718%0.18134%0.344CS..G310 helixtrans-113.213.3178.8-62.2-163.568.7-143.4-4.1112.9F47 D57 I149 P152 P153 Q157F47-R155 PolarHBondContact O-NH2 3.29Å; D57-R155 IonicContact OD1-CZ 3.99Å; D57-R155 IonicContact OD1-NH1 2.81Å; D57-R155 PolarHBondContact OD1-NH1 3.32Å; D57-R155 IonicContact OD2-CZ 2.96Å; D57-R155 IonicContact OD2-NH1 3.68Å; D57-R155 PolarHBondContact OD2-NH1 2.63Å; D57-R155 IonicContact OD2-NH2 2.64Å; I149-R155 WeakPolarHBondContact CB-O 3.15Å; I149-R155 HydrophobicContact CG2-CB 4.25Å; I149-R155 WeakPolarHBondContact CG2-O 3.39Å; P152-R155 HydrophobicContact CG-CB 4.26Å; P152-R155 HydrophobicContact CG-CG 4.08Å; P152-R155 PolarHBondContact O-N 3.49Å; P153-R155 PolarHBondContact O-N 3.01Å; R155-Q157 WeakPolarHBondContact O-CG 3.35Å; R155-Q157 PolarHBondContact O-N 3.04Å
156W95.2Very high93.3Very high183 Ų18375 Ų7569%0.69337%0.371SS*.  trans-62.9111.7179-167.4-8.2000110.1I149 P152 P153I149-W156 WeakPolarHBondContact O-CA 3.21Å; P152-W156 PolarHBondContact O-N 3.07Å; P153-W156 PolarHBondContact O-N 3Å
157Q95.6Very high92.9Very high85 Ų8575.2 Ų75.240%0.39737%0.371SS..EExtended strand (participates in β ladder)trans-153.3155.6179.465.6-178.3-3.700112.2H148 I149 R155H148-Q157 CarbonylContact C-O 3.56Å; H148-Q157 VanDerWaalsContact CA-O 3.28Å; H148-Q157 WeakPolarHBondContact CA-O 3.18Å; I149-Q157 HydrophobicContact CB-CG 4.3Å; I149-Q157 HydrophobicContact CD1-CG 4Å; I149-Q157 HydrophobicContact CG1-CG 4.24Å; I149-Q157 PolarHBondContact N-O 2.93Å; I149-Q157 PolarHBondContact O-N 3.32Å; R155-Q157 WeakPolarHBondContact O-CG 3.35Å; R155-Q157 PolarHBondContact O-N 3.04Å
158R96.1Very high92.6Very high173 Ų17381.5 Ų81.565%0.65340%0.399SS*.EExtended strand (participates in β ladder)trans-77.2130.4167.3-177173.3174.3179.3-1109.5K160R158-K160 PolarHBondContact O-N 3.2Å
159I95.2Very high92.2Very high12 Ų1279.6 Ų79.66%0.06239%0.392CS..PPolyproline II helixtrans-78.4119.9174.6-61171.4000107.5F47 V59 I76 A146 S147 I149F47-I159 HydrophobicContact CE1-CD1 4.44Å; F47-I159 HydrophobicContact CE1-CG1 4.17Å; F47-I159 HydrophobicContact CE1-CG2 3.99Å; F47-I159 HydrophobicContact CZ-CG1 4.27Å; F47-I159 HydrophobicContact CZ-CG2 3.95Å; V59-I159 HydrophobicContact CG1-CD1 4.33Å; I76-I159 HydrophobicContact CD1-CG2 4.01Å; I76-I159 HydrophobicContact CG1-CG2 4.43Å; A146-I159 HydrophobicContact CB-CD1 3.71Å; S147-I159 PolarHBondContact O-N 2.81Å; I149-I159 HydrophobicContact CG1-CD1 4.05Å; I149-I159 HydrophobicContact CG1-CG1 4.06Å
160K94.5Very high91.7Very high157 Ų15782.6 Ų82.668%0.68341%0.408SS*.PPolyproline II helixtrans-95.8142.9172.2-66-174.9-179.3179.10109.3R158 S162R158-K160 PolarHBondContact O-N 3.2Å; K160-S162 PolarHBondContact O-N 3.28Å
161P93.2Very high90.9Very high66 Ų6685.2 Ų85.243%0.42942%0.422SS..PPolyproline II helixtrans-61.7130172.1-11.924.4000109.1G74 D75G74-P161 WeakPolarHBondContact O-CA 3.45Å; D75-P161 WeakPolarHBondContact OD1-CG 3.23Å
162S93.4Very high89.2Confident56 Ų5683 Ų8339%0.39243%0.429SS..  trans-150.9139.1174.560.60000109.8G74 R92 K160G74-S162 WeakPolarHBondContact CA-O 3.5Å; G74-S162 PolarHBondContact O-N 2.8Å; G74-S162 VanDerWaalsContact O-N 3.15Å; R92-S162 WeakPolarHBondContact CD-O 3.26Å; R92-S162 PolarHBondContact NH1-O 3.47Å; R92-S162 PolarHBondContact NH1-OG 2.74Å; K160-S162 PolarHBondContact O-N 3.28Å
163L92.6Very high87.4Confident47 Ų4790.9 Ų90.925%0.24647%0.465CS..PPolyproline II helixtrans-94.5141.9172.7-72.6171.9000109.8R73 V93 I94 E168R73-L163 HydrophobicContact CB-CD1 4.02Å; R73-L163 HydrophobicContact CB-CD2 4.27Å; R73-L163 HydrophobicContact CB-CG 4.35Å; V93-L163 WeakPolarHBondContact O-CD2 3.48Å; I94-L163 HydrophobicContact CD1-CD2 4.17Å; L163-E168 HydrophobicContact CD1-CG 4.01Å
164P88.6Confident85.6Confident37 Ų3794.6 Ų94.624%0.2448%0.476CS..PPolyproline II helixtrans-67.2149.3169.723.2-26.8000110.1I94 N166 R167I94-P164 HydrophobicContact CD1-CG 4.12Å; P164-N166 PolarHBondContact O-N 2.99Å; P164-R167 HydrophobicContact CB-CG 4.37Å; P164-R167 HydrophobicContact CG-CB 3.9Å; P164-R167 HydrophobicContact CG-CG 3.78Å; P164-R167 PolarHBondContact O-N 3.19Å
165P85.4Confident83.6Confident103 Ų10394.2 Ų94.267%0.66947%0.474SS*.THydrogen-bonded Turntrans-58.4142.2-178.824.2-33.5000110.9R167P165-R167 PolarHBondContact O-N 3.25Å
166N84.4Confident81.6Confident135 Ų13599.2 Ų99.272%0.72250%0.504SS*.THydrogen-bonded Turntrans63.821.5-179.5-49.3-37.3000115.1P164P164-N166 PolarHBondContact O-N 2.99Å
167R87.9Confident78.9Confident6 Ų6103.1 Ų103.12%0.02353%0.53CS..  trans-119.114.3172.4-61.3-60-64.3135-10.1113I94 R102 E121 P164 P165I94-R167 HydrophobicContact CD1-CB 4.48Å; I94-R167 HydrophobicContact CG2-CB 4.16Å; I94-R167 WeakPolarHBondContact CG2-O 3.36Å; R102-R167 VanDerWaalsContact O-CZ 3.32Å; R102-R167 PolarHBondContact O-NH1 2.81Å; R102-R167 PolarHBondContact O-NH2 2.78Å; E121-R167 IonicContact OE1-CZ 3.64Å; E121-R167 IonicContact OE1-NE 3.55Å; E121-R167 IonicContact OE1-NH2 2.73Å; E121-R167 PolarHBondContact OE1-NH2 2.88Å; E121-R167 IonicContact OE2-CZ 2.74Å; E121-R167 VanDerWaalsContact OE2-CZ 3.27Å; E121-R167 IonicContact OE2-NE 3.49Å; E121-R167 PolarHBondContact OE2-NE 2.63Å; E121-R167 IonicContact OE2-NH2 3.54Å; E121-R167 PolarHBondContact OE2-NH2 3.46Å; P164-R167 HydrophobicContact CB-CG 4.37Å; P164-R167 HydrophobicContact CG-CB 3.9Å; P164-R167 HydrophobicContact CG-CG 3.78Å; P164-R167 PolarHBondContact O-N 3.19Å; P165-R167 PolarHBondContact O-N 3.25Å
168E87.6Confident78.1Confident142 Ų142104.1 Ų104.166%0.66454%0.537SS*.SBendtrans-64.6148.2170.7-62.6-174.5166.900109.9L163L163-E168 HydrophobicContact CD1-CG 4.01Å
169P87.4Confident77.2Confident19 Ų19100.4 Ų100.412%0.12353%0.531CS..PPolyproline II helixtrans-55.5149.2170.1-22.633.6000111.1D99 F100 I101D99-P169 HydrophobicContact CB-CB 4.07Å; D99-P169 HydrophobicContact CB-CG 4.21Å; D99-P169 WeakPolarHBondContact OD2-CG 3.45Å; F100-P169 WeakPolarHBondContact O-CA 3.42Å; I101-P169 HydrophobicContact CD1-CB 3.91Å; I101-P169 HydrophobicContact CD1-CG 3.88Å
170L87.1Confident76.2Confident64 Ų64105.3 Ų105.334%0.33556%0.557SS.*BIsolated β-bridgetrans-73.8132.4171.6-59.8165.7000108.1F100 R102 Y110 A172F100-L170 HydrophobicContact CB-CB 4.22Å; F100-L170 PolarHBondContact O-N 3.24Å; R102-L170 HydrophobicContact CB-CD1 4.49Å; Y110-L170 HydrophobicContact CD1-CD1 3.37Å; Y110-L170 HydrophobicContact CE1-CD1 3.38Å; L170-A172 PolarHBondContact O-N 2.83Å
171D78.2Confident75.1Confident108 Ų108102.3 Ų102.358%0.57855%0.549SS*.PPolyproline II helixtrans-70.2125.8171.6-68.8-37.6000108E173 E174D171-E173 PolarHBondContact O-N 3.34Å; D171-E174 PolarHBondContact O-N 2.8Å
172A59Low74Confident72 Ų72104.6 Ų104.660%0.59556%0.557SS**THydrogen-bonded Turntrans-67.1-1-177.500000113.4F100 L170F100-A172 HydrophobicContact CD2-CB 4.36Å; F100-A172 HydrophobicContact CE2-CB 4.42Å; L170-A172 PolarHBondContact O-N 2.83Å
173E55.7Low72.7Confident179 Ų179107.8 Ų107.884%0.83657%0.568SS**THydrogen-bonded Turntrans-103.1-8.6-175-62.2-176.2178.600113.4D171D171-E173 PolarHBondContact O-N 3.34Å
174E55Low71.2Confident154 Ų154112.1 Ų112.172%0.7259%0.591SS**SBendtrans-93.1-6.3-176.5-71.9-170.2158.100114.8D171D171-E174 PolarHBondContact O-N 2.8Å
175D50.9Low69.9Low132 Ų132117.9 Ų117.971%0.70662%0.618SS**SBendtrans-1038.1-173.7-76.6-30.7000114.3
176D50Low68.6Low154 Ų154119.2 Ų119.282%0.82461%0.614SS**  trans-97.511.4179.5-80.8-23.5000114.5
177E40Very low67.2Low265 Ų265117.7 Ų117.7100%1.23860%0.604SS**  trans-104.10173.6-73.6-168.9167.200114.5

Retrieved 177 of 177 residues in 218.5 ms (Link to these results)