A0A087X515_POEFO Loading...

DENN/MADD domain containing 2Da

AlphaFold DB , UniProt , Accession A0A087X515, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 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
1M28.8Very low31.3Very low233 Ų233154.4 Ų154.4100%1.14878%0.778SS**  0101.70-74.9-174.6-176.700106N3M1-N3 PolarHBondContact O-N 3.35Å; M1-N3 VanDerWaalsContact O-N 3.14Å
2D26.6Very low31.2Very low156 Ų156151.8 Ų151.883%0.83479%0.785SS**  trans-72.7100.7-163.1-58.7-57.6000111.2V4D2-V4 PolarHBondContact O-N 2.85Å; D2-V4 VanDerWaalsContact O-N 3.12Å
3N27.1Very low32.4Very low165 Ų165144.6 Ų144.688%0.88277%0.771SS**  trans-80.287.6169.5-101.1-10000108.8M1M1-N3 PolarHBondContact O-N 3.35Å; M1-N3 VanDerWaalsContact O-N 3.14Å
4V31.8Very low34.7Very low116 Ų116143.6 Ų143.670%0.70376%0.76SS**  trans-58.3133.3160.2-179.80000107.6D2 I6D2-V4 PolarHBondContact O-N 2.85Å; D2-V4 VanDerWaalsContact O-N 3.12Å; V4-I6 PolarHBondContact O-N 2.93Å
5P29.5Very low37.2Very low80 Ų80142.7 Ų142.752%0.51974%0.743SS.*  trans-58.113417823.7-32.2000109.9Q7P5-Q7 PolarHBondContact O-N 2.69Å
6I35.6Very low39.9Very low160 Ų160133.8 Ų133.882%0.82170%0.697SS**  trans-64.5104.6176-64172.5000106.8V4V4-I6 PolarHBondContact O-N 2.93Å
7Q39.6Very low42.6Very low93 Ų93126 Ų12644%0.43566%0.656SS.*  trans-52.1152.9165.4-79174.6-25.100109.5P5 R9P5-Q7 PolarHBondContact O-N 2.69Å; Q7-R9 PolarHBondContact O-N 2.84Å; Q7-R9 VanDerWaalsContact O-N 3.14Å
8P30.4Very low45Very low123 Ų123121.9 Ų121.980%0.79963%0.633SS**SBendtrans-46.6130164.221.5-31.8000108.1R10P8-R10 PolarHBondContact O-N 2.69Å; P8-R10 VanDerWaalsContact O-N 3.11Å
9R29.3Very low47.2Very low235 Ų235118 Ų11889%0.88761%0.61SS**  trans-30.7117.7-174.8-84176.4163.5168.7-4.5110.5Q7 V11Q7-R9 PolarHBondContact O-N 2.84Å; Q7-R9 VanDerWaalsContact O-N 3.14Å; R9-V11 PolarHBondContact O-N 2.78Å
10R33.9Very low49.4Very low223 Ų223112.1 Ų112.184%0.84258%0.579SS**  trans-49.7103169.6-82.9-178176.4-176.8-2.3108.5P8 S12P8-R10 PolarHBondContact O-N 2.69Å; P8-R10 VanDerWaalsContact O-N 3.11Å; R10-S12 PolarHBondContact O-N 2.8Å
11V32.3Very low51.5Low114 Ų114106.8 Ų106.869%0.69155%0.552SS**  trans-73.8112.5162-176.60000104.9R9 G13R9-V11 PolarHBondContact O-N 2.78Å; V11-G13 PolarHBondContact O-N 2.75Å; V11-G13 VanDerWaalsContact O-N 3.09Å
12S29.7Very low54.6Low123 Ų12395.9 Ų95.986%0.8650%0.498SS*.THydrogen-bonded Turntrans-48.6114.2167.9179.20000108.8R10R10-S12 PolarHBondContact O-N 2.8Å
13G46.8Very low57.8Low59 Ų5988.4 Ų88.461%0.60846%0.459SS*.THydrogen-bonded Turntrans124.77.3175.900000118.4V11 Y15V11-G13 PolarHBondContact O-N 2.75Å; V11-G13 VanDerWaalsContact O-N 3.09Å; G13-Y15 PolarHBondContact O-N 3.2Å
14Q64Low60.9Low131 Ų13181 Ų8161%0.61242%0.42SS*.  trans-71.4109.9176.7-111.3-178.6-4.500112S122Q14-S122 PolarHBondContact NE2-OG 3.1Å
15Y73.1Confident63.7Low129 Ų12975.9 Ų75.951%0.50639%0.388SS..  trans-69.8158.9167.3-64.1-70.1000111.1G13 F17 R155G13-Y15 PolarHBondContact O-N 3.2Å; Y15-F17 VanDerWaalsContact CB-O 3.31Å; Y15-F17 WeakPolarHBondContact CB-O 3.34Å; Y15-F17 PolarHBondContact O-N 2.83Å; Y15-F17 VanDerWaalsContact O-N 3.16Å; Y15-R155 HydrophobicContact CD1-CG 3.73Å; Y15-R155 HydrophobicContact CG-CG 3.96Å
16F79.9Confident66.5Low1 Ų176.5 Ų76.50%0.00438%0.383CS..SBendtrans-53.9-35.3176.3-156.6-73000112.8S121 L128 I132 L154 F159 L182F16-S121 PolarHBondContact O-OG 3.39Å; F16-L128 HydrophobicContact CE1-CD2 3.29Å; F16-L128 HydrophobicContact CZ-CD1 4.07Å; F16-L128 HydrophobicContact CZ-CD2 3.36Å; F16-L128 HydrophobicContact CZ-CG 4.3Å; F16-I132 HydrophobicContact CD1-CD1 4.39Å; F16-I132 HydrophobicContact CE1-CD1 3.69Å; F16-I132 HydrophobicContact CZ-CD1 4.43Å; F16-L154 VanDerWaalsContact CB-O 3.24Å; F16-L154 WeakPolarHBondContact CB-O 3.48Å; F16-L154 HydrophobicContact CD1-CD1 4Å; F16-L154 HydrophobicContact CD1-CG 4.09Å; F16-L154 HydrophobicContact CD2-CD1 4.05Å; F16-L154 HydrophobicContact CE1-CD1 3.94Å; F16-L154 HydrophobicContact CE1-CG 4.46Å; F16-L154 HydrophobicContact CE2-CD1 3.97Å; F16-L154 HydrophobicContact CG-CD1 4.07Å; F16-L154 HydrophobicContact CG-CG 4.18Å; F16-L154 HydrophobicContact CZ-CD1 3.93Å; F16-F159 HydrophobicContact CD1-CD2 4.02Å; F16-F159 HydrophobicContact CD1-CE2 4.42Å; F16-F159 HydrophobicContact CD2-CB 4.34Å; F16-F159 AromaticContact CD2-CD2 3.91Å; F16-F159 HydrophobicContact CD2-CD2 3.91Å; F16-F159 AromaticContact CE1-CD2 3.8Å; F16-F159 HydrophobicContact CE1-CD2 3.8Å; F16-F159 AromaticContact CE1-CE2 3.9Å; F16-F159 HydrophobicContact CE1-CE2 3.9Å; F16-F159 AromaticContact CE2-CD2 3.71Å; F16-F159 HydrophobicContact CE2-CD2 3.71Å; F16-F159 HydrophobicContact CE2-CE2 4.41Å; F16-F159 HydrophobicContact CG-CD2 4.05Å; F16-F159 AromaticContact CZ-CD2 3.64Å; F16-F159 HydrophobicContact CZ-CD2 3.64Å; F16-F159 AromaticContact CZ-CE2 3.89Å; F16-F159 HydrophobicContact CZ-CE2 3.89Å; F16-L182 HydrophobicContact CE2-CD1 4.45Å; F16-L182 HydrophobicContact CZ-CD1 3.98Å
17F86.3Confident68.8Low1 Ų175.1 Ų75.10%0.00437%0.371CS..  trans-152.6161.4171.462.6-89000109.1Y15 L20 F42 I119 F129 M151 L154 R155Y15-F17 VanDerWaalsContact CB-O 3.31Å; Y15-F17 WeakPolarHBondContact CB-O 3.34Å; Y15-F17 PolarHBondContact O-N 2.83Å; Y15-F17 VanDerWaalsContact O-N 3.16Å; F17-L20 HydrophobicContact CE2-CB 4.2Å; F17-F42 AromaticContact CE2-CD1 3.85Å; F17-F42 HydrophobicContact CE2-CD1 3.85Å; F17-F42 HydrophobicContact CE2-CE1 4.12Å; F17-F42 AromaticContact CZ-CD1 3.82Å; F17-F42 HydrophobicContact CZ-CD1 3.82Å; F17-F42 AromaticContact CZ-CE1 3.77Å; F17-F42 HydrophobicContact CZ-CE1 3.77Å; F17-I119 HydrophobicContact CB-CG2 3.53Å; F17-I119 HydrophobicContact CD2-CG2 4.16Å; F17-I119 HydrophobicContact CG-CG2 3.85Å; F17-F129 HydrophobicContact CB-CE1 4.36Å; F17-M151 HydrophobicContact CE1-CE 4.01Å; F17-M151 HydrophobicContact CE2-CE 4.19Å; F17-M151 HydrophobicContact CZ-CB 4.16Å; F17-M151 HydrophobicContact CZ-CE 3.71Å; F17-L154 HydrophobicContact CD1-CD2 4.14Å; F17-L154 HydrophobicContact CD1-CG 4.36Å; F17-L154 HydrophobicContact CE1-CB 4.28Å; F17-L154 HydrophobicContact CE1-CD2 3.77Å; F17-L154 HydrophobicContact CE1-CG 3.96Å; F17-R155 HydrophobicContact CE1-CB 4Å; F17-R155 HydrophobicContact CZ-CB 4.05Å
18E86.1Confident70.8Confident53 Ų5373.2 Ų73.225%0.24836%0.363CS..SBendtrans-81.8-56.7-179.8-67.9169.4-128.500111.1P43 R97 I120E18-P43 WeakPolarHBondContact O-CD 3.44Å; E18-R97 WeakPolarHBondContact OE1-CD 3.49Å; E18-R97 WeakPolarHBondContact OE2-CD 3.35Å; E18-R97 IonicContact OE2-CZ 2.72Å; E18-R97 IonicContact OE2-NE 3.66Å; E18-R97 IonicContact OE2-NH1 3.4Å; E18-R97 PolarHBondContact OE2-NH1 2.8Å; E18-I120 PolarHBondContact N-O 3.21Å
19Y86.2Confident72.9Confident47 Ų4777 Ų7718%0.18437%0.367CS..EExtended strand (participates in β ladder)trans-138.7146.2-178.5-50.4-80.7000111.7F42 P43 E56 I119 I120Y19-F42 CarbonylContact C-O 3.29Å; Y19-F42 VanDerWaalsContact CA-O 3.28Å; Y19-F42 WeakPolarHBondContact CA-O 3.41Å; Y19-P43 HydrophobicContact CD1-CG 4.45Å; Y19-E56 WeakPolarHBondContact CE1-OE1 3.17Å; Y19-I119 CarbonylContact O-C 3.51Å; Y19-I119 WeakPolarHBondContact O-CA 3.34Å; Y19-I120 PolarHBondContact O-N 3.4Å
20L90.9Very high75.1Confident0 Ų072.5 Ų72.50%036%0.361CS..EExtended strand (participates in β ladder)trans-105.8128153.3169.375.2000107.2F17 Y40 Q41 F42 F117 C118 I119 I147 M151F17-L20 HydrophobicContact CE2-CB 4.2Å; L20-Y40 HydrophobicContact CD2-CE1 4.14Å; L20-Q41 CarbonylContact O-C 3.59Å; L20-Q41 WeakPolarHBondContact O-CA 3.32Å; L20-F42 HydrophobicContact CB-CB 4.4Å; L20-F42 PolarHBondContact N-O 2.85Å; L20-F42 PolarHBondContact O-N 3.44Å; L20-F117 HydrophobicContact CD1-CD1 4.47Å; L20-C118 CarbonylContact C-O 3.59Å; L20-C118 WeakPolarHBondContact CA-O 3.45Å; L20-I119 HydrophobicContact CB-CG1 4.45Å; L20-I119 HydrophobicContact CD1-CD1 4.47Å; L20-I119 HydrophobicContact CD1-CG1 3.64Å; L20-I147 HydrophobicContact CD2-CG2 3.93Å; L20-M151 HydrophobicContact CB-CE 3.7Å; L20-M151 HydrophobicContact CD1-CE 4.02Å; L20-M151 HydrophobicContact CD2-CE 3.62Å; L20-M151 HydrophobicContact CD2-CG 3.81Å; L20-M151 HydrophobicContact CD2-SD 4.32Å; L20-M151 HydrophobicContact CG-CE 3.95Å
21V93.3Very high76.9Confident0 Ų063.7 Ų63.70%034%0.34CS..EExtended strand (participates in β ladder)trans-119.6145.8168.7-61.10000110.5V23 I38 Y40 Q41 L60 I63 C118V21-V23 HydrophobicContact CG2-CG2 4.1Å; V21-I38 HydrophobicContact CB-CG2 4.23Å; V21-I38 HydrophobicContact CG1-CD1 4.24Å; V21-I38 HydrophobicContact CG1-CG2 4.34Å; V21-Y40 CarbonylContact C-O 3.6Å; V21-Y40 VanDerWaalsContact CA-O 3.31Å; V21-Y40 WeakPolarHBondContact CA-O 3.42Å; V21-Q41 HydrophobicContact CG1-CB 4.38Å; V21-Q41 HydrophobicContact CG1-CG 4.11Å; V21-L60 HydrophobicContact CG1-CD2 3.99Å; V21-I63 HydrophobicContact CG2-CG2 3.64Å; V21-C118 HydrophobicContact CG2-CB 3.82Å; V21-C118 PolarHBondContact N-O 3.34Å; V21-C118 PolarHBondContact O-N 2.82Å
22V93.6Very high78.8Confident4 Ų462.4 Ų62.42%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-107.3121.8164.5-173.40000106.9I38 T39 Y40 A116 F117V22-I38 CarbonylContact O-C 3.53Å; V22-I38 WeakPolarHBondContact O-CA 3.37Å; V22-T39 PolarHBondContact O-N 3.28Å; V22-T39 PolarHBondContact O-OG1 3Å; V22-Y40 HydrophobicContact CG2-CD1 3.93Å; V22-Y40 HydrophobicContact CG2-CG 4.25Å; V22-Y40 PolarHBondContact N-O 3.44Å; V22-Y40 PolarHBondContact O-N 3.34Å; V22-A116 CarbonylContact C-O 3.56Å; V22-A116 WeakPolarHBondContact CA-O 3.46Å; V22-F117 HydrophobicContact CG1-CE1 4.41Å; V22-F117 HydrophobicContact CG1-CE2 4.3Å; V22-F117 HydrophobicContact CG1-CZ 4.16Å; V22-F117 HydrophobicContact CG2-CD1 3.64Å; V22-F117 HydrophobicContact CG2-CE1 3.42Å; V22-F117 VanDerWaalsContact CG2-CE1 3.42Å; V22-F117 HydrophobicContact CG2-CG 4.35Å; V22-F117 HydrophobicContact CG2-CZ 3.98Å
23V94.6Very high81.1Confident0 Ų060 Ų600%031%0.313CS..EExtended strand (participates in β ladder)trans-106122.4176.3-1710000107.5V21 P36 Q37 I38 T64 C67 F68 A116V21-V23 HydrophobicContact CG2-CG2 4.1Å; V23-P36 HydrophobicContact CG1-CB 3.75Å; V23-Q37 WeakPolarHBondContact CA-O 3.29Å; V23-I38 HydrophobicContact CG2-CG1 4.28Å; V23-T64 HydrophobicContact CG1-CG2 3.94Å; V23-T64 HydrophobicContact CG2-CG2 4.23Å; V23-C67 HydrophobicContact CB-CB 4.03Å; V23-C67 HydrophobicContact CG1-CB 4.3Å; V23-C67 HydrophobicContact CG2-CB 3.9Å; V23-F68 HydrophobicContact CB-CD2 4.33Å; V23-F68 HydrophobicContact CB-CE2 3.9Å; V23-F68 HydrophobicContact CG1-CD2 3.75Å; V23-F68 HydrophobicContact CG1-CE2 3.67Å; V23-F68 WeakPolarHBondContact O-CE2 3.35Å; V23-A116 HydrophobicContact CB-CB 4.31Å; V23-A116 PolarHBondContact N-O 3.29Å; V23-A116 PolarHBondContact O-N 3.33Å
24S92.6Very high83Confident10 Ų1058.7 Ų58.77%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-118145.8175.4-45.10000109K26 Q37 T39 E115S24-K26 PolarHBondContact O-N 3.25Å; S24-Q37 PolarHBondContact N-O 3.4Å; S24-Q37 PolarHBondContact O-N 3.22Å; S24-T39 WeakPolarHBondContact OG-CG2 3.46Å; S24-T39 PolarHBondContact OG-OG1 2.91Å; S24-E115 PolarHBondContact OG-OE1 3.35Å
25L90.9Very high84.1Confident8 Ų855.8 Ų55.84%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-80118.2173.7-64166.7000109.4Y34 P36 F68 W74 P113 P114L25-Y34 HydrophobicContact CB-CD1 3.85Å; L25-Y34 HydrophobicContact CB-CG 4.3Å; L25-P36 HydrophobicContact CD2-CB 4.01Å; L25-F68 HydrophobicContact CD1-CD1 4.03Å; L25-F68 HydrophobicContact CD1-CE1 3.77Å; L25-F68 HydrophobicContact CD1-CZ 4.28Å; L25-F68 HydrophobicContact CD2-CB 4.43Å; L25-F68 HydrophobicContact CD2-CD1 4.02Å; L25-F68 HydrophobicContact CD2-CD2 4.17Å; L25-F68 HydrophobicContact CD2-CE1 4.3Å; L25-F68 HydrophobicContact CD2-CE2 4.42Å; L25-F68 HydrophobicContact CD2-CG 3.95Å; L25-F68 HydrophobicContact CD2-CZ 4.48Å; L25-F68 HydrophobicContact CG-CD1 4.12Å; L25-F68 HydrophobicContact CG-CE1 3.9Å; L25-F68 HydrophobicContact CG-CE2 4.28Å; L25-F68 HydrophobicContact CG-CG 4.42Å; L25-F68 HydrophobicContact CG-CZ 3.97Å; L25-W74 HydrophobicContact CD1-CB 3.86Å; L25-W74 HydrophobicContact CD1-CD2 3.55Å; L25-W74 HydrophobicContact CD1-CE3 4.09Å; L25-W74 HydrophobicContact CD1-CG 3.41Å; L25-W74 VanDerWaalsContact CD1-CG 3.41Å; L25-W74 HydrophobicContact CD2-CG 4.3Å; L25-W74 HydrophobicContact CG-CG 4.5Å; L25-P113 HydrophobicContact CB-CB 3.75Å; L25-P113 HydrophobicContact CB-CG 4.27Å; L25-P113 HydrophobicContact CD1-CB 3.85Å; L25-P113 HydrophobicContact CG-CB 4.37Å; L25-P114 HydrophobicContact CD1-CG 4.38Å
26K87.2Confident85Confident93 Ų9350.6 Ų50.640%0.40426%0.259SS..EExtended strand (participates in β ladder)trans-109.6144.2175.3-64.3-160-166.4162.50110.7S24 N28 Y34 E35S24-K26 PolarHBondContact O-N 3.25Å; K26-N28 PolarHBondContact O-N 3.5Å; K26-Y34 CarbonylContact O-C 3.54Å; K26-Y34 WeakPolarHBondContact O-CA 3.11Å; K26-E35 PolarHBondContact N-O 3.22Å; K26-E35 PolarHBondContact O-N 3.42Å
27K84.8Confident85.6Confident131 Ų13154 Ų5457%0.5727%0.274SS*.EExtended strand (participates in β ladder)trans-61.8136.4171.7-71.2-172.1175.8-1710109.7N33 Y34K27-N33 CarbonylContact C-O 3.59Å; K27-N33 WeakPolarHBondContact CA-O 3.47Å; K27-Y34 VanDerWaalsContact CE-OH 3.26Å; K27-Y34 WeakPolarHBondContact CE-OH 3.19Å; K27-Y34 HydrophobicContact CG-CD1 4.19Å; K27-Y34 HydrophobicContact CG-CE1 3.69Å; K27-Y34 HydrophobicContact CG-CE2 4.41Å
28N80.9Confident85.9Confident52 Ų5256.3 Ų56.328%0.27829%0.286SS..  trans-65.8166.9172.5-153.3-12000110.5K26 D30 G31 N33 E35K26-N28 PolarHBondContact O-N 3.5Å; N28-D30 PolarHBondContact O-N 3.37Å; N28-D30 VanDerWaalsContact O-N 3.13Å; N28-G31 WeakPolarHBondContact O-CA 3.33Å; N28-G31 PolarHBondContact O-N 2.95Å; N28-N33 PolarHBondContact N-O 3.02Å; N28-E35 PolarHBondContact ND2-OE1 3.34Å
29K75.1Confident86.1Confident203 Ų20356.8 Ų56.888%0.88329%0.293SS*.THydrogen-bonded Turntrans-55.4-32.7-177.6-68-177.8179.6177.10113.1G31K29-G31 VanDerWaalsContact C-N 3.29Å; K29-G31 PolarHBondContact O-N 3.34Å
30D75.9Confident86.3Confident140 Ų14057.7 Ų57.775%0.74930%0.297SS*.THydrogen-bonded Turntrans-85.1-2.6-179.9-53.3-29.9000112.9N28 S32N28-D30 PolarHBondContact O-N 3.37Å; N28-D30 VanDerWaalsContact O-N 3.13Å; D30-S32 PolarHBondContact O-N 3.1Å; D30-S32 VanDerWaalsContact O-N 3.08Å
31G71.1Confident86.2Confident39 Ų3959.1 Ų59.140%0.40230%0.303SS..SBendtrans71.4-2.7174.700000116N28 K29N28-G31 WeakPolarHBondContact O-CA 3.33Å; N28-G31 PolarHBondContact O-N 2.95Å; K29-G31 VanDerWaalsContact C-N 3.29Å; K29-G31 PolarHBondContact O-N 3.34Å
32S71.8Confident85.9Confident86 Ų8659.5 Ų59.560%0.60131%0.305SS*.SBendtrans-77.2-42-174.453.10000113.7D30D30-S32 PolarHBondContact O-N 3.1Å; D30-S32 VanDerWaalsContact O-N 3.08Å
33N79.3Confident85.5Confident72 Ų7260.1 Ų60.139%0.38531%0.309SS..SBendtrans-130.4165.8-172.5-72.4-16.9000112.7K27 N28 I72K27-N33 CarbonylContact C-O 3.59Å; K27-N33 WeakPolarHBondContact CA-O 3.47Å; N28-N33 PolarHBondContact N-O 3.02Å; N33-I72 HydrophobicContact CB-CB 4.44Å
34Y85.5Confident84.7Confident32 Ų3268 Ų6813%0.12534%0.343CS..EExtended strand (participates in β ladder)trans-99.3144.8173.5-75.8-87000111.3L25 K26 K27 I72 W74 P76 P113L25-Y34 HydrophobicContact CB-CD1 3.85Å; L25-Y34 HydrophobicContact CB-CG 4.3Å; K26-Y34 CarbonylContact O-C 3.54Å; K26-Y34 WeakPolarHBondContact O-CA 3.11Å; K27-Y34 VanDerWaalsContact CE-OH 3.26Å; K27-Y34 WeakPolarHBondContact CE-OH 3.19Å; K27-Y34 HydrophobicContact CG-CD1 4.19Å; K27-Y34 HydrophobicContact CG-CE1 3.69Å; K27-Y34 HydrophobicContact CG-CE2 4.41Å; Y34-I72 VanDerWaalsContact O-CA 3.29Å; Y34-I72 WeakPolarHBondContact O-CA 3.5Å; Y34-I72 WeakPolarHBondContact O-CB 3.45Å; Y34-I72 WeakPolarHBondContact O-CG2 3.36Å; Y34-W74 HydrophobicContact CD2-CB 4.44Å; Y34-W74 WeakPolarHBondContact CD2-O 3.44Å; Y34-P76 HydrophobicContact CE2-CG 4.16Å; Y34-P76 WeakPolarHBondContact OH-CG 3.39Å; Y34-P113 HydrophobicContact CE1-CB 4.4Å; Y34-P113 HydrophobicContact CE1-CG 4.01Å
35E87.4Confident83.6Confident71 Ų7173.7 Ų73.733%0.33236%0.363SS..EExtended strand (participates in β ladder)trans-127.5136.7171-73.2-178.1177.600110.5K26 N28 Q37 I72K26-E35 PolarHBondContact N-O 3.22Å; K26-E35 PolarHBondContact O-N 3.42Å; N28-E35 PolarHBondContact ND2-OE1 3.34Å; E35-Q37 PolarHBondContact O-N 3.03Å; E35-I72 HydrophobicContact CG-CG2 4.25Å
36P91.9Very high82.3Confident19 Ų1979.3 Ų79.312%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-72.8123.2177.530.5-34.5000110.4V23 L25 F68V23-P36 HydrophobicContact CG1-CB 3.75Å; L25-P36 HydrophobicContact CD2-CB 4.01Å; P36-F68 HydrophobicContact CB-CB 4.15Å; P36-F68 HydrophobicContact CB-CD2 3.67Å; P36-F68 HydrophobicContact CB-CG 4.22Å; P36-F68 HydrophobicContact CG-CB 4.45Å
37Q91.9Very high80.7Confident72 Ų7282.2 Ų82.234%0.33642%0.418SS..EExtended strand (participates in β ladder)trans-131.2142.1-179.7-65.2-173.70.900111.2V23 S24 E35 T39V23-Q37 WeakPolarHBondContact CA-O 3.29Å; S24-Q37 PolarHBondContact N-O 3.4Å; S24-Q37 PolarHBondContact O-N 3.22Å; E35-Q37 PolarHBondContact O-N 3.03Å; Q37-T39 PolarHBondContact O-N 2.94Å
38I92.9Very high79.7Confident50 Ų5078.8 Ų78.826%0.25641%0.405SS..EExtended strand (participates in β ladder)trans-70.7116.2172.8-59.7175.9000108.7V21 V22 V23 Y40 Q41 L60 T64V21-I38 HydrophobicContact CB-CG2 4.23Å; V21-I38 HydrophobicContact CG1-CD1 4.24Å; V21-I38 HydrophobicContact CG1-CG2 4.34Å; V22-I38 CarbonylContact O-C 3.53Å; V22-I38 WeakPolarHBondContact O-CA 3.37Å; V23-I38 HydrophobicContact CG2-CG1 4.28Å; I38-Y40 VanDerWaalsContact CG2-O 3.28Å; I38-Y40 WeakPolarHBondContact CG2-O 3.38Å; I38-Q41 HydrophobicContact CG2-CB 4.25Å; I38-L60 HydrophobicContact CD1-CB 3.67Å; I38-L60 HydrophobicContact CD1-CD1 4.35Å; I38-L60 HydrophobicContact CD1-CD2 3.77Å; I38-L60 HydrophobicContact CD1-CG 4.11Å; I38-T64 HydrophobicContact CD1-CG2 4.24Å; I38-T64 HydrophobicContact CG1-CG2 3.65Å
39T91Very high78.8Confident63 Ų6379.2 Ų79.239%0.38742%0.416SS..EExtended strand (participates in β ladder)trans-98.6-22.6177.650.50000112.5V22 S24 Q37V22-T39 PolarHBondContact O-N 3.28Å; V22-T39 PolarHBondContact O-OG1 3Å; S24-T39 WeakPolarHBondContact OG-CG2 3.46Å; S24-T39 PolarHBondContact OG-OG1 2.91Å; Q37-T39 PolarHBondContact O-N 2.94Å
40Y89.4Confident78.5Confident67 Ų6777.3 Ų77.326%0.26341%0.407SS..EExtended strand (participates in β ladder)trans-145.8141.3175.8178.1-88.3000110.3L20 V21 V22 I38 F42L20-Y40 HydrophobicContact CD2-CE1 4.14Å; V21-Y40 CarbonylContact C-O 3.6Å; V21-Y40 VanDerWaalsContact CA-O 3.31Å; V21-Y40 WeakPolarHBondContact CA-O 3.42Å; V22-Y40 HydrophobicContact CG2-CD1 3.93Å; V22-Y40 HydrophobicContact CG2-CG 4.25Å; V22-Y40 PolarHBondContact N-O 3.44Å; V22-Y40 PolarHBondContact O-N 3.34Å; I38-Y40 VanDerWaalsContact CG2-O 3.28Å; I38-Y40 WeakPolarHBondContact CG2-O 3.38Å; Y40-F42 HydrophobicContact CE1-CB 3.79Å
41Q90Very high77.9Confident29 Ų2978.5 Ų78.514%0.13640%0.403CS..EExtended strand (participates in β ladder)trans-138134.6175.5-179.6-176.5-18.500109.1L20 V21 I38 E56L20-Q41 CarbonylContact O-C 3.59Å; L20-Q41 WeakPolarHBondContact O-CA 3.32Å; V21-Q41 HydrophobicContact CG1-CB 4.38Å; V21-Q41 HydrophobicContact CG1-CG 4.11Å; I38-Q41 HydrophobicContact CG2-CB 4.25Å; Q41-E56 PolarHBondContact NE2-OE1 2.72Å
42F86.1Confident77.9Confident8 Ų881.7 Ų81.74%0.03541%0.407CS..EExtended strand (participates in β ladder)trans-131.4133.1170.8176.3-92.7000110.1F17 Y19 L20 Y40 Y148 M151 Q152 R155F17-F42 AromaticContact CE2-CD1 3.85Å; F17-F42 HydrophobicContact CE2-CD1 3.85Å; F17-F42 HydrophobicContact CE2-CE1 4.12Å; F17-F42 AromaticContact CZ-CD1 3.82Å; F17-F42 HydrophobicContact CZ-CD1 3.82Å; F17-F42 AromaticContact CZ-CE1 3.77Å; F17-F42 HydrophobicContact CZ-CE1 3.77Å; Y19-F42 CarbonylContact C-O 3.29Å; Y19-F42 VanDerWaalsContact CA-O 3.28Å; Y19-F42 WeakPolarHBondContact CA-O 3.41Å; L20-F42 HydrophobicContact CB-CB 4.4Å; L20-F42 PolarHBondContact N-O 2.85Å; L20-F42 PolarHBondContact O-N 3.44Å; Y40-F42 HydrophobicContact CE1-CB 3.79Å; F42-Y148 AromaticContact CD2-CD2 3.58Å; F42-Y148 HydrophobicContact CD2-CD2 3.58Å; F42-Y148 AromaticContact CD2-CE2 3.54Å; F42-Y148 HydrophobicContact CD2-CE2 3.54Å; F42-Y148 AromaticContact CE2-CD2 3.86Å; F42-Y148 HydrophobicContact CE2-CD2 3.86Å; F42-Y148 AromaticContact CE2-CE2 3.49Å; F42-Y148 HydrophobicContact CE2-CE2 3.49Å; F42-Y148 VanDerWaalsContact CE2-CE2 3.49Å; F42-M151 HydrophobicContact CD1-CB 3.79Å; F42-M151 HydrophobicContact CE1-CB 3.91Å; F42-M151 HydrophobicContact CG-CB 4.31Å; F42-Q152 HydrophobicContact CE2-CB 4.22Å; F42-Q152 HydrophobicContact CZ-CB 3.94Å; F42-R155 HydrophobicContact CE1-CB 4.16Å
43P84.4Confident78.2Confident17 Ų1782.5 Ų82.511%0.1140%0.4CS..SBendcis-61.5162-8.530.4-38.9000112.4E18 Y19E18-P43 WeakPolarHBondContact O-CD 3.44Å; Y19-P43 HydrophobicContact CD1-CG 4.45Å
44K78.4Confident78.3Confident165 Ų16583.7 Ų83.772%0.71740%0.403SS*.  trans-64.4149.8170.2-70.1-174.5179.7179.10108.9D46K44-D46 PolarHBondContact O-N 2.91Å
45R69.3Low78Confident131 Ų13185.6 Ų85.649%0.49441%0.413SS..  trans-52.1111177.3-72-179.8173.9-172.3-9.1110.3
46D63.6Low77.8Confident126 Ų12682.9 Ų82.967%0.67440%0.401SS*.  trans-74.3164.2170.5-97.7-33.6000110.5K44 M48K44-D46 PolarHBondContact O-N 2.91Å; D46-M48 VanDerWaalsContact C-N 3.26Å; D46-M48 PolarHBondContact O-N 3.46Å
47V55.1Low77.5Confident153 Ų15385.5 Ų85.593%0.92741%0.411SS*.  trans-71.583.6176.5-1730000109.1
48M62.5Low77.3Confident59 Ų5989.3 Ų89.329%0.29143%0.427SS..  trans-89.2157.2177.1-69.4175.9-68.600112.3D46 Q52 E56D46-M48 VanDerWaalsContact C-N 3.26Å; D46-M48 PolarHBondContact O-N 3.46Å; M48-Q52 HydrophobicContact CB-CB 4.33Å; M48-E56 WeakPolarHBondContact CE-OE2 3.32Å
49A63.3Low77.1Confident61 Ų6188 Ų8850%0.50442%0.421SS..  trans-60.6147.7169.900000110.7Y51 Q52 K53A49-Y51 VanDerWaalsContact C-N 3.28Å; A49-Y51 PolarHBondContact O-N 3.36Å; A49-Y51 VanDerWaalsContact O-N 3.14Å; A49-Q52 PolarHBondContact O-N 2.92Å; A49-Q52 VanDerWaalsContact O-N 3.13Å; A49-K53 PolarHBondContact O-N 3.26Å
50K68.8Low77.1Confident163 Ų16385.2 Ų85.271%0.70940%0.404SS*.Hα-helixtrans-53.2-40.4-171.5-170.4-178.9175.5-173.50113.9K53 E54K50-K53 WeakPolarHBondContact O-CB 3.44Å; K50-K53 PolarHBondContact O-N 3.48Å; K50-E54 PolarHBondContact O-N 3.2Å
51Y61.5Low77.1Confident165 Ų16587.8 Ų87.865%0.64742%0.416SS*.Hα-helixtrans-65.4-47179.6-178.6-93.7000112.8A49 K53 E54 E55A49-Y51 VanDerWaalsContact C-N 3.28Å; A49-Y51 PolarHBondContact O-N 3.36Å; A49-Y51 VanDerWaalsContact O-N 3.14Å; Y51-K53 PolarHBondContact O-N 2.68Å; Y51-E54 PolarHBondContact O-N 3.33Å; Y51-E54 VanDerWaalsContact O-N 3.13Å; Y51-E55 PolarHBondContact O-N 2.81Å
52Q71.8Confident77.3Confident107 Ų10787.9 Ų87.950%0.542%0.422SS..Hα-helixtrans-60.5-34.1177.3-69.4171.2-9.200111.5M48 A49 E56M48-Q52 HydrophobicContact CB-CB 4.33Å; A49-Q52 PolarHBondContact O-N 2.92Å; A49-Q52 VanDerWaalsContact O-N 3.13Å; Q52-E56 WeakPolarHBondContact O-CB 3.48Å; Q52-E56 PolarHBondContact O-N 3.32Å
53K77.3Confident77.7Confident103 Ų10387.5 Ų87.545%0.44842%0.42SS..Hα-helixtrans-67.3-38.3176.6-170.5179.8179.5-1800113.1A49 K50 Y51 E57A49-K53 PolarHBondContact O-N 3.26Å; K50-K53 WeakPolarHBondContact O-CB 3.44Å; K50-K53 PolarHBondContact O-N 3.48Å; Y51-K53 PolarHBondContact O-N 2.68Å; K53-E57 WeakPolarHBondContact O-CB 3.45Å; K53-E57 PolarHBondContact O-N 2.9Å
54E81.3Confident78.2Confident96 Ų9687.4 Ų87.445%0.44942%0.419SS..Hα-helixtrans-69-40177.9-72.5175.7-167.500111.7K50 Y51 E57 K58K50-E54 PolarHBondContact O-N 3.2Å; Y51-E54 PolarHBondContact O-N 3.33Å; Y51-E54 VanDerWaalsContact O-N 3.13Å; E54-E57 PolarHBondContact O-N 2.92Å; E54-K58 WeakPolarHBondContact O-CG 3.28Å; E54-K58 PolarHBondContact O-N 2.72Å; E54-K58 VanDerWaalsContact O-N 3.09Å
55E80.1Confident78.9Confident73 Ų7382.3 Ų82.334%0.34140%0.4SS..Hα-helixtrans-66.4-46.8175.9-170.7170.8-167.300111.7Y51 E57 K58 T59Y51-E55 PolarHBondContact O-N 2.81Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 2.8Å; E55-K58 WeakPolarHBondContact O-CB 3.26Å; E55-K58 PolarHBondContact O-N 3.13Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E55-T59 PolarHBondContact O-N 3.33Å; E55-T59 PolarHBondContact O-OG1 3.23Å
56E82.6Confident80.2Confident14 Ų1476.9 Ų76.97%0.06538%0.379CS..Hα-helixtrans-58.7-42.2173.6-168.1-158.5-172.300111Y19 Q41 M48 Q52 K58 T59 L60Y19-E56 WeakPolarHBondContact CE1-OE1 3.17Å; Q41-E56 PolarHBondContact NE2-OE1 2.72Å; M48-E56 WeakPolarHBondContact CE-OE2 3.32Å; Q52-E56 WeakPolarHBondContact O-CB 3.48Å; Q52-E56 PolarHBondContact O-N 3.32Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 3.01Å; E56-T59 WeakPolarHBondContact O-CB 3.22Å; E56-T59 PolarHBondContact O-N 2.93Å; E56-L60 HydrophobicContact CG-CD1 4.24Å; E56-L60 HydrophobicContact CG-CG 4.32Å; E56-L60 WeakPolarHBondContact O-CB 3.39Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 2.99Å; E56-L60 PolarHBondContact O-N 3.46Å
57E86.1Confident81.7Confident74 Ų7470.9 Ų70.935%0.34635%0.347SS..Hα-helixtrans-61.9-38.8177.4-169.2-178.9146.300112.4K53 E54 E55 L60 K61K53-E57 WeakPolarHBondContact O-CB 3.45Å; K53-E57 PolarHBondContact O-N 2.9Å; E54-E57 PolarHBondContact O-N 2.92Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 2.8Å; E57-L60 PolarHBondContact O-N 3.02Å; E57-K61 HydrophobicContact CG-CD 4.4Å; E57-K61 WeakPolarHBondContact O-CB 3.34Å; E57-K61 WeakPolarHBondContact O-CG 3.34Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 2.8Å; E57-K61 PolarHBondContact OE1-NZ 2.9Å
58K87.6Confident83.6Confident152 Ų15263.6 Ų63.666%0.66130%0.303SS*.Hα-helixtrans-64.3-45173.2-71.4173.2-177175.40111.3E54 E55 E56 L60 K61 A62E54-K58 WeakPolarHBondContact O-CG 3.28Å; E54-K58 PolarHBondContact O-N 2.72Å; E54-K58 VanDerWaalsContact O-N 3.09Å; E55-K58 WeakPolarHBondContact O-CB 3.26Å; E55-K58 PolarHBondContact O-N 3.13Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 3.01Å; K58-L60 PolarHBondContact O-N 3.19Å; K58-K61 PolarHBondContact O-N 3.11Å; K58-A62 PolarHBondContact O-N 2.9Å
59T88.7Confident85.1Confident21 Ų2160.9 Ų60.913%0.12929%0.29CS..Hα-helixtrans-58.6-48.5175-58.80000111E55 E56 K61 A62 I63 L89 R97E55-T59 PolarHBondContact O-N 3.33Å; E55-T59 PolarHBondContact O-OG1 3.23Å; E56-T59 WeakPolarHBondContact O-CB 3.22Å; E56-T59 PolarHBondContact O-N 2.93Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 3.46Å; T59-A62 WeakPolarHBondContact O-CB 3.26Å; T59-A62 PolarHBondContact O-N 3.02Å; T59-A62 VanDerWaalsContact O-N 3.09Å; T59-I63 HydrophobicContact CG2-CD1 3.83Å; T59-I63 HydrophobicContact CG2-CG1 4.36Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.39Å; T59-I63 PolarHBondContact O-N 3.09Å; T59-L89 HydrophobicContact CG2-CD1 4.23Å; T59-R97 PolarHBondContact OG1-NH2 2.93Å
60L90.3Very high86.3Confident6 Ų659 Ų593%0.03127%0.271CS..Hα-helixtrans-61.3-40.1179.8-71.7-180000112V21 I38 E56 E57 K58 I63 T64V21-L60 HydrophobicContact CG1-CD2 3.99Å; I38-L60 HydrophobicContact CD1-CB 3.67Å; I38-L60 HydrophobicContact CD1-CD1 4.35Å; I38-L60 HydrophobicContact CD1-CD2 3.77Å; I38-L60 HydrophobicContact CD1-CG 4.11Å; E56-L60 HydrophobicContact CG-CD1 4.24Å; E56-L60 HydrophobicContact CG-CG 4.32Å; E56-L60 WeakPolarHBondContact O-CB 3.39Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 2.99Å; E56-L60 PolarHBondContact O-N 3.46Å; E57-L60 PolarHBondContact O-N 3.02Å; K58-L60 PolarHBondContact O-N 3.19Å; L60-I63 HydrophobicContact CD2-CD1 4.17Å; L60-I63 PolarHBondContact O-N 3.07Å; L60-T64 PolarHBondContact O-N 3.44Å
61K90.9Very high86.9Confident121 Ų12152.2 Ų52.253%0.52625%0.247SC..Hα-helixtrans-64.2-40.2172.1-76.8170.6173.91660112.2E57 K58 T59 T64E57-K61 HydrophobicContact CG-CD 4.4Å; E57-K61 WeakPolarHBondContact O-CB 3.34Å; E57-K61 WeakPolarHBondContact O-CG 3.34Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 2.8Å; E57-K61 PolarHBondContact OE1-NZ 2.9Å; K58-K61 PolarHBondContact O-N 3.11Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 3.46Å; K61-T64 PolarHBondContact O-N 3.07Å; K61-T64 PolarHBondContact O-OG1 2.97Å
62A92.8Very high87.3Confident30 Ų3048.3 Ų48.325%0.24824%0.237CC..Hα-helixtrans-63.4-44.3174.500000110.9K58 T59 T64 L65 F66K58-A62 PolarHBondContact O-N 2.9Å; T59-A62 WeakPolarHBondContact O-CB 3.26Å; T59-A62 PolarHBondContact O-N 3.02Å; T59-A62 VanDerWaalsContact O-N 3.09Å; A62-T64 VanDerWaalsContact C-N 3.25Å; A62-T64 PolarHBondContact O-N 3.08Å; A62-L65 WeakPolarHBondContact O-CB 3.04Å; A62-L65 PolarHBondContact O-N 3.39Å; A62-F66 HydrophobicContact CB-CE2 4.5Å; A62-F66 WeakPolarHBondContact O-CD2 3.24Å; A62-F66 PolarHBondContact O-N 2.93Å; A62-F66 VanDerWaalsContact O-N 3.14Å
63I94.7Very high87.3Confident0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-56.1-38.8179.3-69.4162.5000111.7V21 T59 L60 L65 F66 C67 F87 L89 C118 I120V21-I63 HydrophobicContact CG2-CG2 3.64Å; T59-I63 HydrophobicContact CG2-CD1 3.83Å; T59-I63 HydrophobicContact CG2-CG1 4.36Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.39Å; T59-I63 PolarHBondContact O-N 3.09Å; L60-I63 HydrophobicContact CD2-CD1 4.17Å; L60-I63 PolarHBondContact O-N 3.07Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.97Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-C67 WeakPolarHBondContact O-CB 3.41Å; I63-C67 PolarHBondContact O-N 3.05Å; I63-C67 PolarHBondContact O-SG 3.47Å; I63-F87 HydrophobicContact CG1-CE2 4.49Å; I63-F87 HydrophobicContact CG1-CZ 4.45Å; I63-F87 HydrophobicContact CG2-CZ 4.17Å; I63-L89 HydrophobicContact CG1-CD1 3.97Å; I63-C118 HydrophobicContact CG2-CB 4.49Å; I63-I120 HydrophobicContact CD1-CD1 3.71Å; I63-I120 HydrophobicContact CD1-CG1 3.6Å; I63-I120 HydrophobicContact CG1-CD1 3.86Å; I63-I120 HydrophobicContact CG1-CG1 4.33Å; I63-I120 HydrophobicContact CG2-CD1 4.45Å
64T94.8Very high87.4Confident16 Ų1644.3 Ų44.310%0.09823%0.228CC..Hα-helixtrans-63.9-36.3177.663.30000112.4V23 I38 L60 K61 A62 C67 F68V23-T64 HydrophobicContact CG1-CG2 3.94Å; V23-T64 HydrophobicContact CG2-CG2 4.23Å; I38-T64 HydrophobicContact CD1-CG2 4.24Å; I38-T64 HydrophobicContact CG1-CG2 3.65Å; L60-T64 PolarHBondContact O-N 3.44Å; K61-T64 PolarHBondContact O-N 3.07Å; K61-T64 PolarHBondContact O-OG1 2.97Å; A62-T64 VanDerWaalsContact C-N 3.25Å; A62-T64 PolarHBondContact O-N 3.08Å; T64-C67 PolarHBondContact O-N 3.01Å; T64-F68 PolarHBondContact O-N 3.05Å
65L94.4Very high87.1Confident58 Ų5842.9 Ų42.930%0.30423%0.232SC..Hα-helixtrans-66.7-39.2176.2-57.3176.1000111.9A62 I63 F68 P69 P255 I257A62-L65 WeakPolarHBondContact O-CB 3.04Å; A62-L65 PolarHBondContact O-N 3.39Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.97Å; L65-F68 CarbonylContact O-C 3.58Å; L65-F68 PolarHBondContact O-N 2.98Å; L65-P69 WeakPolarHBondContact O-CA 3.4Å; L65-P255 HydrophobicContact CB-CB 4.29Å; L65-P255 HydrophobicContact CB-CG 4.25Å; L65-I257 HydrophobicContact CD1-CG2 3.99Å; L65-I257 HydrophobicContact CD2-CG2 4.16Å
66F95.4Very high87.1Confident16 Ų1642 Ų427%0.0723%0.233CC..Hα-helixtrans-78.2-28.8177-71.4-80.8000113A62 I63 F68 F85 F87 L89 I251 I253 P255 L258A62-F66 HydrophobicContact CB-CE2 4.5Å; A62-F66 WeakPolarHBondContact O-CD2 3.24Å; A62-F66 PolarHBondContact O-N 2.93Å; A62-F66 VanDerWaalsContact O-N 3.14Å; I63-F66 PolarHBondContact O-N 2.9Å; F66-F68 PolarHBondContact O-N 3.39Å; F66-F85 WeakPolarHBondContact O-CE2 3.11Å; F66-F87 HydrophobicContact CB-CB 4.1Å; F66-F87 HydrophobicContact CB-CD1 3.54Å; F66-F87 HydrophobicContact CB-CD2 3.54Å; F66-F87 HydrophobicContact CB-CE1 3.68Å; F66-F87 HydrophobicContact CB-CE2 3.7Å; F66-F87 HydrophobicContact CB-CG 3.45Å; F66-F87 VanDerWaalsContact CB-CG 3.45Å; F66-F87 HydrophobicContact CB-CZ 3.76Å; F66-F87 HydrophobicContact CD1-CB 3.78Å; F66-F87 HydrophobicContact CD1-CD2 4.07Å; F66-F87 AromaticContact CD1-CG 3.99Å; F66-F87 HydrophobicContact CD1-CG 3.99Å; F66-F87 HydrophobicContact CD2-CD2 4.14Å; F66-F87 HydrophobicContact CD2-CE2 4.31Å; F66-F87 HydrophobicContact CG-CB 4.17Å; F66-F87 HydrophobicContact CG-CD1 4.42Å; F66-F87 AromaticContact CG-CD2 3.66Å; F66-F87 HydrophobicContact CG-CD2 3.66Å; F66-F87 HydrophobicContact CG-CE2 4.09Å; F66-F87 AromaticContact CG-CG 3.84Å; F66-F87 HydrophobicContact CG-CG 3.84Å; F66-L89 HydrophobicContact CD2-CD2 3.74Å; F66-L89 HydrophobicContact CE2-CD2 3.63Å; F66-L89 HydrophobicContact CZ-CD2 4.37Å; F66-I251 HydrophobicContact CE1-CG2 3.86Å; F66-I251 HydrophobicContact CZ-CG2 4.45Å; F66-I253 WeakPolarHBondContact CD1-O 3.35Å; F66-I253 VanDerWaalsContact CE1-O 3.3Å; F66-I253 WeakPolarHBondContact CE1-O 3.31Å; F66-P255 HydrophobicContact CD1-CG 3.81Å; F66-P255 HydrophobicContact CE1-CG 3.76Å; F66-P255 HydrophobicContact CE2-CG 4.46Å; F66-P255 HydrophobicContact CG-CG 4.19Å; F66-P255 HydrophobicContact CZ-CG 4.09Å; F66-L258 HydrophobicContact CZ-CD1 4.35Å
67C95.5Very high87.2Confident0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-67.6-22172-72.10000112.3V23 I63 T64 R103 A116 C118V23-C67 HydrophobicContact CB-CB 4.03Å; V23-C67 HydrophobicContact CG1-CB 4.3Å; V23-C67 HydrophobicContact CG2-CB 3.9Å; I63-C67 WeakPolarHBondContact O-CB 3.41Å; I63-C67 PolarHBondContact O-N 3.05Å; I63-C67 PolarHBondContact O-SG 3.47Å; T64-C67 PolarHBondContact O-N 3.01Å; C67-R103 VanDerWaalsContact C-NH2 3.26Å; C67-R103 PolarHBondContact O-NE 3.08Å; C67-R103 PolarHBondContact O-NH2 3.42Å; C67-A116 HydrophobicContact CB-CB 3.89Å; C67-C118 WeakPolarHBondContact SG-CB 3.44Å
68F94.6Very high87Confident1 Ų145.4 Ų45.40%0.00426%0.257CS..  trans-147.173.5177.2-67.1-80.2000110.3V23 L25 P36 T64 L65 F66 E70 G71 W74 P114 A116V23-F68 HydrophobicContact CB-CD2 4.33Å; V23-F68 HydrophobicContact CB-CE2 3.9Å; V23-F68 HydrophobicContact CG1-CD2 3.75Å; V23-F68 HydrophobicContact CG1-CE2 3.67Å; V23-F68 WeakPolarHBondContact O-CE2 3.35Å; L25-F68 HydrophobicContact CD1-CD1 4.03Å; L25-F68 HydrophobicContact CD1-CE1 3.77Å; L25-F68 HydrophobicContact CD1-CZ 4.28Å; L25-F68 HydrophobicContact CD2-CB 4.43Å; L25-F68 HydrophobicContact CD2-CD1 4.02Å; L25-F68 HydrophobicContact CD2-CD2 4.17Å; L25-F68 HydrophobicContact CD2-CE1 4.3Å; L25-F68 HydrophobicContact CD2-CE2 4.42Å; L25-F68 HydrophobicContact CD2-CG 3.95Å; L25-F68 HydrophobicContact CD2-CZ 4.48Å; L25-F68 HydrophobicContact CG-CD1 4.12Å; L25-F68 HydrophobicContact CG-CE1 3.9Å; L25-F68 HydrophobicContact CG-CE2 4.28Å; L25-F68 HydrophobicContact CG-CG 4.42Å; L25-F68 HydrophobicContact CG-CZ 3.97Å; P36-F68 HydrophobicContact CB-CB 4.15Å; P36-F68 HydrophobicContact CB-CD2 3.67Å; P36-F68 HydrophobicContact CB-CG 4.22Å; P36-F68 HydrophobicContact CG-CB 4.45Å; T64-F68 PolarHBondContact O-N 3.05Å; L65-F68 CarbonylContact O-C 3.58Å; L65-F68 PolarHBondContact O-N 2.98Å; F66-F68 PolarHBondContact O-N 3.39Å; F68-E70 PolarHBondContact O-N 3.32Å; F68-E70 VanDerWaalsContact O-N 3.13Å; F68-G71 PolarHBondContact O-N 2.94Å; F68-W74 AromaticContact CD1-CE2 3.72Å; F68-W74 HydrophobicContact CD1-CH2 4.27Å; F68-W74 AromaticContact CD1-CZ2 3.5Å; F68-W74 HydrophobicContact CD1-CZ2 3.5Å; F68-W74 VanDerWaalsContact CD1-CZ2 3.5Å; F68-W74 AromaticContact CD1-NE1 3.88Å; F68-W74 HydrophobicContact CE1-CZ2 4.16Å; F68-P114 HydrophobicContact CE1-CG 4.13Å; F68-A116 HydrophobicContact CD2-CB 4.46Å; F68-A116 HydrophobicContact CE2-CB 3.67Å; F68-A116 HydrophobicContact CZ-CB 3.81Å
69P93.7Very high86.6Confident1 Ų146.1 Ų46.11%0.00626%0.263CS..THydrogen-bonded Turntrans-63.1-15.5-178.930.9-37000113.3L65 G71 L227 I253 P255 E256 R275L65-P69 WeakPolarHBondContact O-CA 3.4Å; P69-G71 PolarHBondContact O-N 2.88Å; P69-L227 HydrophobicContact CG-CD1 3.99Å; P69-L227 HydrophobicContact CG-CD2 4.03Å; P69-I253 HydrophobicContact CB-CG2 3.86Å; P69-I253 HydrophobicContact CG-CG2 3.71Å; P69-P255 HydrophobicContact CB-CB 4.2Å; P69-P255 HydrophobicContact CB-CG 4.48Å; P69-E256 WeakPolarHBondContact O-CB 3.47Å; P69-E256 PolarHBondContact O-N 3.19Å; P69-R275 PolarHBondContact O-NH2 3.33Å
70E90.3Very high86.3Confident22 Ų2247.8 Ų47.810%0.10327%0.267CS..THydrogen-bonded Turntrans-70.7-9.2170-51.683.2169.200113.6F68 I72 S73 W74 R103 Q273 R275F68-E70 PolarHBondContact O-N 3.32Å; F68-E70 VanDerWaalsContact O-N 3.13Å; E70-I72 PolarHBondContact O-N 3.23Å; E70-S73 PolarHBondContact O-N 3.15Å; E70-W74 HydrophobicContact CB-CZ2 3.98Å; E70-W74 VanDerWaalsContact CD-CZ2 3.46Å; E70-W74 HydrophobicContact CG-CZ2 3.98Å; E70-W74 VanDerWaalsContact OE2-CZ2 3.23Å; E70-W74 WeakPolarHBondContact OE2-CZ2 3.41Å; E70-R103 IonicContact OE1-NH1 3.22Å; E70-R103 PolarHBondContact OE1-NH1 3.47Å; E70-R103 IonicContact OE2-CZ 2.62Å; E70-R103 IonicContact OE2-NH1 2.84Å; E70-R103 PolarHBondContact OE2-NH1 3.02Å; E70-R103 IonicContact OE2-NH2 3.29Å; E70-Q273 PolarHBondContact OE1-NE2 3.08Å; E70-R275 VanDerWaalsContact CA-NH2 3.27Å
71G80.9Confident85.9Confident21 Ų2155.4 Ų55.422%0.21630%0.302CS..THydrogen-bonded Turntrans63.2-120.1176.200000112F68 P69 W74F68-G71 PolarHBondContact O-N 2.94Å; P69-G71 PolarHBondContact O-N 2.88Å; G71-W74 PolarHBondContact O-NE1 3.22Å
72I70.4Confident85.7Confident82 Ų8251.2 Ų51.242%0.42129%0.288SS..THydrogen-bonded Turntrans-94.8-8.4-169.760.2171.2000114.1N33 Y34 E35 E70 W74N33-I72 HydrophobicContact CB-CB 4.44Å; Y34-I72 VanDerWaalsContact O-CA 3.29Å; Y34-I72 WeakPolarHBondContact O-CA 3.5Å; Y34-I72 WeakPolarHBondContact O-CB 3.45Å; Y34-I72 WeakPolarHBondContact O-CG2 3.36Å; E35-I72 HydrophobicContact CG-CG2 4.25Å; E70-I72 PolarHBondContact O-N 3.23Å; I72-W74 VanDerWaalsContact C-N 3.28Å; I72-W74 PolarHBondContact O-N 3.36Å
73S71.3Confident85.6Confident88 Ų8851.5 Ų51.562%0.61529%0.285SS*.  trans-84.563.9-173.3-62.50000111.8E70E70-S73 PolarHBondContact O-N 3.15Å
74W78.2Confident85.5Confident39 Ų3953 Ų5315%0.14829%0.294CS..  trans-117.8129.5-178.7-7695.5000113.2L25 Y34 F68 E70 G71 I72 P114L25-W74 HydrophobicContact CD1-CB 3.86Å; L25-W74 HydrophobicContact CD1-CD2 3.55Å; L25-W74 HydrophobicContact CD1-CE3 4.09Å; L25-W74 HydrophobicContact CD1-CG 3.41Å; L25-W74 VanDerWaalsContact CD1-CG 3.41Å; L25-W74 HydrophobicContact CD2-CG 4.3Å; L25-W74 HydrophobicContact CG-CG 4.5Å; Y34-W74 HydrophobicContact CD2-CB 4.44Å; Y34-W74 WeakPolarHBondContact CD2-O 3.44Å; F68-W74 AromaticContact CD1-CE2 3.72Å; F68-W74 HydrophobicContact CD1-CH2 4.27Å; F68-W74 AromaticContact CD1-CZ2 3.5Å; F68-W74 HydrophobicContact CD1-CZ2 3.5Å; F68-W74 VanDerWaalsContact CD1-CZ2 3.5Å; F68-W74 AromaticContact CD1-NE1 3.88Å; F68-W74 HydrophobicContact CE1-CZ2 4.16Å; E70-W74 HydrophobicContact CB-CZ2 3.98Å; E70-W74 VanDerWaalsContact CD-CZ2 3.46Å; E70-W74 HydrophobicContact CG-CZ2 3.98Å; E70-W74 VanDerWaalsContact OE2-CZ2 3.23Å; E70-W74 WeakPolarHBondContact OE2-CZ2 3.41Å; G71-W74 PolarHBondContact O-NE1 3.22Å; I72-W74 VanDerWaalsContact C-N 3.28Å; I72-W74 PolarHBondContact O-N 3.36Å; W74-P114 HydrophobicContact CE3-CG 4.12Å; W74-P114 HydrophobicContact CH2-CG 4.25Å; W74-P114 HydrophobicContact CZ3-CG 3.74Å
75A75.6Confident85.5Confident66 Ų6652.2 Ų52.255%0.54529%0.289SS..  trans-101.5139.7167.100000110.1
76P81.1Confident85.5Confident55 Ų5549.6 Ų49.636%0.35728%0.276SS..  trans-58.2137.8171.8-2535.5000111.7Y34 A111Y34-P76 HydrophobicContact CE2-CG 4.16Å; Y34-P76 WeakPolarHBondContact OH-CG 3.39Å; P76-A111 HydrophobicContact CB-CB 3.78Å
77L83.6Confident85.5Confident55 Ų5548.9 Ų48.929%0.28827%0.272SS..BIsolated β-bridgetrans-113.8145.2-176.1-56.5176.3000110.5Y80 L105 A111 R112L77-Y80 HydrophobicContact CD1-CD2 3.46Å; L77-Y80 VanDerWaalsContact CD1-CD2 3.46Å; L77-Y80 HydrophobicContact CD1-CE2 4.18Å; L77-Y80 HydrophobicContact CD1-CG 4.34Å; L77-L105 HydrophobicContact CB-CD1 4.33Å; L77-A111 WeakPolarHBondContact O-CA 3.08Å; L77-R112 PolarHBondContact N-O 3.02Å; L77-R112 PolarHBondContact O-N 3.31Å
78T81.5Confident85.4Confident103 Ų10349.2 Ų49.263%0.63227%0.274SS*.SBendtrans-87.8-30.7172.348.20000112L105 A111T78-L105 WeakPolarHBondContact O-CD2 3.2Å; T78-A111 HydrophobicContact CG2-CB 4Å
79E80.7Confident85.2Confident167 Ų16749.9 Ų49.978%0.7828%0.278SS*.  trans-135.6141.3178.1-64-176.8-179.900108.9
80Y82.6Confident85Confident56 Ų5653.4 Ų53.422%0.2230%0.3CS..  trans-150.1123.7175.3-174.7-94.7000108.2L77 E83 R103 P114L77-Y80 HydrophobicContact CD1-CD2 3.46Å; L77-Y80 VanDerWaalsContact CD1-CD2 3.46Å; L77-Y80 HydrophobicContact CD1-CE2 4.18Å; L77-Y80 HydrophobicContact CD1-CG 4.34Å; Y80-E83 HydrophobicContact CE1-CB 4.37Å; Y80-E83 PolarHBondContact OH-OE2 2.99Å; Y80-E83 VanDerWaalsContact OH-OE2 3.11Å; Y80-R103 HydrophobicContact CE1-CB 3.77Å; Y80-R103 WeakPolarHBondContact OH-CD 3.17Å; Y80-P114 HydrophobicContact CD1-CB 4.44Å; Y80-P114 HydrophobicContact CE1-CB 4.48Å
81H82Confident84.8Confident166 Ų16654.5 Ų54.577%0.76931%0.305SS*.  trans-72.7133.3173.3-178.3-82.2000109.4E83H81-E83 PolarHBondContact O-N 3.08Å
82S86.2Confident84.9Confident33 Ų3361.2 Ų61.223%0.23133%0.334CS..  trans-58.3124178.8-164.40000110.3R102 R103S82-R102 VanDerWaalsContact OG-CD 3.32Å; S82-R102 WeakPolarHBondContact OG-CD 3.46Å; S82-R103 CarbonylContact C-O 3.6Å; S82-R103 VanDerWaalsContact CA-O 3.31Å; S82-R103 WeakPolarHBondContact CA-O 3.41Å; S82-R103 PolarHBondContact OG-O 3.3Å
83E90.4Very high85.5Confident36 Ų3663.4 Ų63.417%0.16835%0.347CS..EExtended strand (participates in β ladder)trans-115133.4-176.4-172.3-175.4-158.700109.4Y80 H81 F85 R102 R103 L227Y80-E83 HydrophobicContact CE1-CB 4.37Å; Y80-E83 PolarHBondContact OH-OE2 2.99Å; Y80-E83 VanDerWaalsContact OH-OE2 3.11Å; H81-E83 PolarHBondContact O-N 3.08Å; E83-F85 HydrophobicContact CG-CD1 4.39Å; E83-R102 CarbonylContact O-C 3.51Å; E83-R102 WeakPolarHBondContact O-CA 3.27Å; E83-R103 HydrophobicContact CB-CB 4.46Å; E83-R103 PolarHBondContact N-O 3.11Å; E83-R103 PolarHBondContact O-N 3.29Å; E83-L227 WeakPolarHBondContact OE1-CB 3.37Å; E83-L227 PolarHBondContact OE1-N 3.28Å
84T92.8Very high86Confident32 Ų3261.6 Ų61.620%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-117.1132.6176.2-50.60000110.1C101 R102 F126 G228T84-C101 VanDerWaalsContact CA-O 3.3Å; T84-C101 WeakPolarHBondContact CA-O 3.4Å; T84-C101 WeakPolarHBondContact CG2-O 3.44Å; T84-R102 WeakPolarHBondContact OG1-CD 3.44Å; T84-R102 PolarHBondContact OG1-NE 2.54Å; T84-F126 HydrophobicContact CG2-CE1 4.41Å; T84-F126 HydrophobicContact CG2-CE2 4.03Å; T84-F126 HydrophobicContact CG2-CZ 3.57Å; T84-G228 VanDerWaalsContact O-CA 3.25Å; T84-G228 WeakPolarHBondContact O-CA 3.4Å
85F94.6Very high86.4Confident0 Ų062.2 Ų62.20%035%0.352CS..EExtended strand (participates in β ladder)trans-151.7168175.761.2-91.8000110.5F66 E83 F87 C101 R103 L227 I253F66-F85 WeakPolarHBondContact O-CE2 3.11Å; E83-F85 HydrophobicContact CG-CD1 4.39Å; F85-F87 HydrophobicContact CE2-CD1 4.17Å; F85-C101 HydrophobicContact CD1-CB 4.26Å; F85-C101 HydrophobicContact CD2-CB 3.86Å; F85-C101 HydrophobicContact CE1-CB 3.88Å; F85-C101 HydrophobicContact CE2-CB 3.48Å; F85-C101 VanDerWaalsContact CE2-CB 3.48Å; F85-C101 HydrophobicContact CG-CB 4.25Å; F85-C101 HydrophobicContact CZ-CB 3.48Å; F85-C101 VanDerWaalsContact CZ-CB 3.48Å; F85-C101 WeakPolarHBondContact CZ-SG 3.45Å; F85-C101 PolarHBondContact N-O 3.38Å; F85-C101 PolarHBondContact O-N 2.82Å; F85-R103 HydrophobicContact CE1-CG 3.93Å; F85-R103 HydrophobicContact CZ-CG 4.48Å; F85-R103 VanDerWaalsContact CZ-NH2 3.26Å; F85-L227 HydrophobicContact CB-CB 3.89Å; F85-L227 HydrophobicContact CD1-CB 3.79Å; F85-L227 HydrophobicContact CD1-CD1 3.94Å; F85-L227 HydrophobicContact CD2-CB 4.45Å; F85-L227 HydrophobicContact CE1-CB 4.43Å; F85-L227 HydrophobicContact CE1-CD1 3.71Å; F85-L227 HydrophobicContact CE2-CD1 4.39Å; F85-L227 HydrophobicContact CG-CB 3.8Å; F85-L227 HydrophobicContact CG-CD1 4.39Å; F85-L227 HydrophobicContact CZ-CD1 3.96Å; F85-I253 HydrophobicContact CB-CD1 3.93Å; F85-I253 HydrophobicContact CD2-CD1 3.22Å; F85-I253 HydrophobicContact CE2-CD1 3.91Å; F85-I253 HydrophobicContact CG-CD1 3.8Å
86S94.6Very high87Confident3 Ų362.5 Ų62.52%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-129.8145.6170.353.80000112.4G99 S231 H235 S252S86-G99 CarbonylContact C-O 3.54Å; S86-G99 WeakPolarHBondContact CA-O 3.45Å; S86-S231 WeakPolarHBondContact CA-OG 3.41Å; S86-S231 PolarHBondContact N-OG 3.18Å; S86-S231 WeakPolarHBondContact O-CB 3.37Å; S86-S231 PolarHBondContact O-OG 3.25Å; S86-S231 PolarHBondContact OG-OG 3.15Å; S86-H235 PolarHBondContact OG-NE2 3.24Å; S86-S252 PolarHBondContact O-OG 3.25Å
87F94.7Very high87.4Confident0 Ų061.2 Ų61.20%033%0.327CS..EExtended strand (participates in β ladder)trans-117.8157.7171.160.9-93.4000111.1I63 F66 F85 L89 N98 G99 C118 I120 S252I63-F87 HydrophobicContact CG1-CE2 4.49Å; I63-F87 HydrophobicContact CG1-CZ 4.45Å; I63-F87 HydrophobicContact CG2-CZ 4.17Å; F66-F87 HydrophobicContact CB-CB 4.1Å; F66-F87 HydrophobicContact CB-CD1 3.54Å; F66-F87 HydrophobicContact CB-CD2 3.54Å; F66-F87 HydrophobicContact CB-CE1 3.68Å; F66-F87 HydrophobicContact CB-CE2 3.7Å; F66-F87 HydrophobicContact CB-CG 3.45Å; F66-F87 VanDerWaalsContact CB-CG 3.45Å; F66-F87 HydrophobicContact CB-CZ 3.76Å; F66-F87 HydrophobicContact CD1-CB 3.78Å; F66-F87 HydrophobicContact CD1-CD2 4.07Å; F66-F87 AromaticContact CD1-CG 3.99Å; F66-F87 HydrophobicContact CD1-CG 3.99Å; F66-F87 HydrophobicContact CD2-CD2 4.14Å; F66-F87 HydrophobicContact CD2-CE2 4.31Å; F66-F87 HydrophobicContact CG-CB 4.17Å; F66-F87 HydrophobicContact CG-CD1 4.42Å; F66-F87 AromaticContact CG-CD2 3.66Å; F66-F87 HydrophobicContact CG-CD2 3.66Å; F66-F87 HydrophobicContact CG-CE2 4.09Å; F66-F87 AromaticContact CG-CG 3.84Å; F66-F87 HydrophobicContact CG-CG 3.84Å; F85-F87 HydrophobicContact CE2-CD1 4.17Å; F87-L89 HydrophobicContact CD2-CD2 3.96Å; F87-L89 HydrophobicContact CD2-CG 4.02Å; F87-L89 HydrophobicContact CE2-CD1 4.06Å; F87-L89 HydrophobicContact CE2-CD2 3.9Å; F87-L89 HydrophobicContact CE2-CG 3.84Å; F87-N98 CarbonylContact O-C 3.56Å; F87-N98 WeakPolarHBondContact O-CA 3.37Å; F87-G99 WeakPolarHBondContact CD1-O 3.43Å; F87-G99 PolarHBondContact N-O 3Å; F87-G99 PolarHBondContact O-N 3.29Å; F87-C118 VanDerWaalsContact CE1-SG 3.58Å; F87-C118 VanDerWaalsContact CZ-SG 3.52Å; F87-I120 HydrophobicContact CE2-CD1 4.27Å; F87-I120 HydrophobicContact CZ-CD1 4.06Å; F87-S252 VanDerWaalsContact CA-OG 3.28Å; F87-S252 WeakPolarHBondContact CA-OG 3.44Å
88V92.9Very high87.8Confident7 Ų759.2 Ų59.24%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-113.1127.8177.9175.50000109.4R96 R97 F250V88-R96 HydrophobicContact CG1-CB 3.88Å; V88-R96 HydrophobicContact CG1-CG 3.81Å; V88-R97 WeakPolarHBondContact CA-O 3.18Å; V88-F250 HydrophobicContact CB-CD1 3.8Å; V88-F250 HydrophobicContact CB-CE1 4.01Å; V88-F250 HydrophobicContact CG1-CD1 4.1Å; V88-F250 HydrophobicContact CG2-CD1 3.78Å; V88-F250 HydrophobicContact CG2-CE1 3.49Å; V88-F250 VanDerWaalsContact CG2-CE1 3.49Å
89L91.5Very high88.4Confident15 Ų1554.3 Ų54.38%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-99.7124.6169.2-59177.4000107.7T59 I63 F66 F87 R96 R97T59-L89 HydrophobicContact CG2-CD1 4.23Å; I63-L89 HydrophobicContact CG1-CD1 3.97Å; F66-L89 HydrophobicContact CD2-CD2 3.74Å; F66-L89 HydrophobicContact CE2-CD2 3.63Å; F66-L89 HydrophobicContact CZ-CD2 4.37Å; F87-L89 HydrophobicContact CD2-CD2 3.96Å; F87-L89 HydrophobicContact CD2-CG 4.02Å; F87-L89 HydrophobicContact CE2-CD1 4.06Å; F87-L89 HydrophobicContact CE2-CD2 3.9Å; F87-L89 HydrophobicContact CE2-CG 3.84Å; L89-R96 CarbonylContact O-C 3.6Å; L89-R96 WeakPolarHBondContact O-CA 3.26Å; L89-R97 HydrophobicContact CB-CB 4.47Å; L89-R97 PolarHBondContact N-O 2.91Å; L89-R97 PolarHBondContact O-N 2.84Å
90T89.6Confident89.1Confident75 Ų7546.5 Ų46.546%0.4625%0.25SS..EExtended strand (participates in β ladder)trans-101.9125176.1-54.20000108.6S95T90-S95 WeakPolarHBondContact CA-O 3.24Å
91E86.1Confident89.7Confident46 Ų4643.9 Ų43.922%0.21524%0.24CC..PPolyproline II helixtrans-81.7169.3178.3-60.5-54.6143.300111.7D93 G94 S95 R97E91-D93 WeakPolarHBondContact CB-OD1 3.48Å; E91-D93 PolarHBondContact O-N 3.23Å; E91-G94 PolarHBondContact O-N 3.43Å; E91-S95 WeakPolarHBondContact CB-OG 3.34Å; E91-S95 WeakPolarHBondContact CG-OG 2.93Å; E91-S95 PolarHBondContact N-O 2.9Å; E91-R97 IonicContact OE1-CZ 3.34Å; E91-R97 IonicContact OE1-NE 3.84Å; E91-R97 PolarHBondContact OE1-NE 2.77Å; E91-R97 IonicContact OE1-NH2 3.87Å; E91-R97 PolarHBondContact OE1-NH2 3.46Å; E91-R97 IonicContact OE2-NH2 2.9Å
92I82.6Confident90.3Very high162 Ų16236.7 Ų36.783%0.83121%0.206SC*.THydrogen-bonded Turntrans-61.6-30.1-179.2-58.7170.3000111.8G94I92-G94 PolarHBondContact O-N 2.91Å
93D82.3Confident90.7Very high128 Ų12835.1 Ų35.168%0.68420%0.195SC*.THydrogen-bonded Turntrans-83.22.6177.370.5-7.8000113.6E91 S95E91-D93 WeakPolarHBondContact CB-OD1 3.48Å; E91-D93 PolarHBondContact O-N 3.23Å; D93-S95 VanDerWaalsContact C-N 3.26Å; D93-S95 PolarHBondContact O-N 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.43Å; D93-S95 PolarHBondContact OD1-N 3.07Å; D93-S95 PolarHBondContact OD1-OG 3.43Å
94G82.8Confident90.7Very high49 Ų4933.8 Ų33.851%0.50519%0.189SC..SBendtrans81.7-2.4-177.300000114.3E91 I92E91-G94 PolarHBondContact O-N 3.43Å; I92-G94 PolarHBondContact O-N 2.91Å
95S85.6Confident90.5Very high53 Ų5333.6 Ų33.637%0.37119%0.186SC..  trans-66.8153.2172.570.90000111T90 E91 D93T90-S95 WeakPolarHBondContact CA-O 3.24Å; E91-S95 WeakPolarHBondContact CB-OG 3.34Å; E91-S95 WeakPolarHBondContact CG-OG 2.93Å; E91-S95 PolarHBondContact N-O 2.9Å; D93-S95 VanDerWaalsContact C-N 3.26Å; D93-S95 PolarHBondContact O-N 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.43Å; D93-S95 PolarHBondContact OD1-N 3.07Å; D93-S95 PolarHBondContact OD1-OG 3.43Å
96R88.6Confident90.1Very high72 Ų7234.5 Ų34.527%0.27219%0.192SC..EExtended strand (participates in β ladder)trans-119.5134.2-175.5-71.7176.5176.5153.99.5110.8V88 L89 W246 H248V88-R96 HydrophobicContact CG1-CB 3.88Å; V88-R96 HydrophobicContact CG1-CG 3.81Å; L89-R96 CarbonylContact O-C 3.6Å; L89-R96 WeakPolarHBondContact O-CA 3.26Å; R96-W246 VanDerWaalsContact CZ-O 3.31Å; R96-W246 PolarHBondContact NH1-O 3.33Å; R96-W246 PolarHBondContact NH2-O 3.37Å; R96-H248 PolarHBondContact NH2-O 2.98Å; R96-H248 VanDerWaalsContact NH2-O 3.11Å
97R90.4Very high89.4Confident27 Ų2737.5 Ų37.510%0.10222%0.224CC..EExtended strand (participates in β ladder)trans-112.3143.8167.6-64.3-173.2-69.9162.7-4.6109.7E18 T59 V88 L89 E91 I120E18-R97 WeakPolarHBondContact OE1-CD 3.49Å; E18-R97 WeakPolarHBondContact OE2-CD 3.35Å; E18-R97 IonicContact OE2-CZ 2.72Å; E18-R97 IonicContact OE2-NE 3.66Å; E18-R97 IonicContact OE2-NH1 3.4Å; E18-R97 PolarHBondContact OE2-NH1 2.8Å; T59-R97 PolarHBondContact OG1-NH2 2.93Å; V88-R97 WeakPolarHBondContact CA-O 3.18Å; L89-R97 HydrophobicContact CB-CB 4.47Å; L89-R97 PolarHBondContact N-O 2.91Å; L89-R97 PolarHBondContact O-N 2.84Å; E91-R97 IonicContact OE1-CZ 3.34Å; E91-R97 IonicContact OE1-NE 3.84Å; E91-R97 PolarHBondContact OE1-NE 2.77Å; E91-R97 IonicContact OE1-NH2 3.87Å; E91-R97 PolarHBondContact OE1-NH2 3.46Å; E91-R97 IonicContact OE2-NH2 2.9Å; R97-I120 HydrophobicContact CB-CG2 4.31Å
98N91.6Very high88.7Confident13 Ų1340 Ų407%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-100.8129.3177-58.5-77.5000109.3F87 Y100 I120 S121F87-N98 CarbonylContact O-C 3.56Å; F87-N98 WeakPolarHBondContact O-CA 3.37Å; N98-Y100 HydrophobicContact CB-CD2 4.3Å; N98-Y100 HydrophobicContact CB-CE2 3.55Å; N98-I120 WeakPolarHBondContact O-CA 3.5Å; N98-S121 PolarHBondContact N-O 2.98Å; N98-S121 PolarHBondContact O-N 3.11Å
99G94.8Very high88Confident0 Ų051.7 Ų51.70%029%0.293CS..EExtended strand (participates in β ladder)trans-100.2104.9166.500000110S86 F87 I119S86-G99 CarbonylContact C-O 3.54Å; S86-G99 WeakPolarHBondContact CA-O 3.45Å; F87-G99 WeakPolarHBondContact CD1-O 3.43Å; F87-G99 PolarHBondContact N-O 3Å; F87-G99 PolarHBondContact O-N 3.29Å; G99-I119 CarbonylContact C-O 3.48Å; G99-I119 WeakPolarHBondContact CA-O 3.41Å
100Y95Very high87.6Confident4 Ų453.3 Ų53.32%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-84.8127.8173.9-60.4-82.6000108.9N98 C118 I119 L123 A124 C125 F126 F129 F133N98-Y100 HydrophobicContact CB-CD2 4.3Å; N98-Y100 HydrophobicContact CB-CE2 3.55Å; Y100-C118 CarbonylContact O-C 3.54Å; Y100-C118 WeakPolarHBondContact O-CA 3.47Å; Y100-C118 PolarHBondContact O-SG 2.96Å; Y100-I119 PolarHBondContact N-O 3.21Å; Y100-I119 PolarHBondContact O-N 2.73Å; Y100-L123 PolarHBondContact OH-O 3.14Å; Y100-A124 WeakPolarHBondContact OH-CA 3.39Å; Y100-C125 PolarHBondContact OH-N 3.02Å; Y100-F126 AromaticContact CD1-CD2 3.85Å; Y100-F126 HydrophobicContact CD1-CD2 3.85Å; Y100-F126 HydrophobicContact CD1-CE2 4.48Å; Y100-F126 HydrophobicContact CE1-CB 4.22Å; Y100-F126 AromaticContact CE1-CD2 3.91Å; Y100-F126 HydrophobicContact CE1-CD2 3.91Å; Y100-F129 HydrophobicContact CD1-CB 4.07Å; Y100-F129 HydrophobicContact CD1-CD2 4.1Å; Y100-F129 HydrophobicContact CD1-CG 4.35Å; Y100-F129 HydrophobicContact CD2-CB 4.15Å; Y100-F129 HydrophobicContact CD2-CD1 4.21Å; Y100-F129 AromaticContact CD2-CD2 3.32Å; Y100-F129 HydrophobicContact CD2-CD2 3.32Å; Y100-F129 AromaticContact CD2-CE2 3.7Å; Y100-F129 HydrophobicContact CD2-CE2 3.7Å; Y100-F129 AromaticContact CD2-CG 3.63Å; Y100-F129 HydrophobicContact CD2-CG 3.63Å; Y100-F129 HydrophobicContact CD2-CZ 4.29Å; Y100-F129 AromaticContact CE1-CD2 3.97Å; Y100-F129 HydrophobicContact CE1-CD2 3.97Å; Y100-F129 AromaticContact CE2-CD2 3.13Å; Y100-F129 HydrophobicContact CE2-CD2 3.13Å; Y100-F129 AromaticContact CE2-CE2 3.24Å; Y100-F129 HydrophobicContact CE2-CE2 3.24Å; Y100-F129 AromaticContact CE2-CG 3.95Å; Y100-F129 HydrophobicContact CE2-CG 3.95Å; Y100-F129 HydrophobicContact CE2-CZ 4.11Å; Y100-F129 HydrophobicContact CG-CB 3.82Å; Y100-F129 AromaticContact CG-CD2 3.8Å; Y100-F129 HydrophobicContact CG-CD2 3.8Å; Y100-F129 AromaticContact CG-CG 3.85Å; Y100-F129 HydrophobicContact CG-CG 3.85Å; Y100-F129 AromaticContact CZ-CD2 3.49Å; Y100-F129 VanDerWaalsContact CZ-CD2 3.49Å; Y100-F129 AromaticContact CZ-CE2 3.85Å; Y100-F133 VanDerWaalsContact O-CZ 3.3Å; Y100-F133 WeakPolarHBondContact O-CZ 3.34Å
101C95.4Very high87.5Confident0 Ų052.6 Ų52.60%032%0.315CS..EExtended strand (participates in β ladder)trans-125135.5-174.6-165.10000111.5T84 F85 F117T84-C101 VanDerWaalsContact CA-O 3.3Å; T84-C101 WeakPolarHBondContact CA-O 3.4Å; T84-C101 WeakPolarHBondContact CG2-O 3.44Å; F85-C101 HydrophobicContact CD1-CB 4.26Å; F85-C101 HydrophobicContact CD2-CB 3.86Å; F85-C101 HydrophobicContact CE1-CB 3.88Å; F85-C101 HydrophobicContact CE2-CB 3.48Å; F85-C101 VanDerWaalsContact CE2-CB 3.48Å; F85-C101 HydrophobicContact CG-CB 4.25Å; F85-C101 HydrophobicContact CZ-CB 3.48Å; F85-C101 VanDerWaalsContact CZ-CB 3.48Å; F85-C101 WeakPolarHBondContact CZ-SG 3.45Å; F85-C101 PolarHBondContact N-O 3.38Å; F85-C101 PolarHBondContact O-N 2.82Å; C101-F117 CarbonylContact C-O 3.55Å; C101-F117 VanDerWaalsContact CA-O 3.28Å; C101-F117 WeakPolarHBondContact CA-O 3.14Å
102R94.4Very high87.6Confident16 Ų1652.8 Ų52.86%0.0631%0.314CS..EExtended strand (participates in β ladder)trans-121.3109.9167.6-177.678.167.7104.5-6.8107.7S82 E83 T84 L104 F117 S130 F133 D134 E137S82-R102 VanDerWaalsContact OG-CD 3.32Å; S82-R102 WeakPolarHBondContact OG-CD 3.46Å; E83-R102 CarbonylContact O-C 3.51Å; E83-R102 WeakPolarHBondContact O-CA 3.27Å; T84-R102 WeakPolarHBondContact OG1-CD 3.44Å; T84-R102 PolarHBondContact OG1-NE 2.54Å; R102-L104 HydrophobicContact CG-CD2 4.49Å; R102-F117 PolarHBondContact N-O 2.86Å; R102-F117 PolarHBondContact O-N 2.79Å; R102-S130 PolarHBondContact NH2-O 3.48Å; R102-S130 PolarHBondContact NH2-OG 2.56Å; R102-F133 HydrophobicContact CB-CB 4.11Å; R102-F133 HydrophobicContact CB-CD1 3.81Å; R102-F133 HydrophobicContact CB-CD2 4.05Å; R102-F133 HydrophobicContact CB-CE1 4.23Å; R102-F133 HydrophobicContact CB-CE2 4.42Å; R102-F133 HydrophobicContact CB-CG 3.73Å; R102-F133 HydrophobicContact CG-CB 4.26Å; R102-F133 HydrophobicContact CG-CG 4.41Å; R102-D134 IonicContact CZ-OD1 3.47Å; R102-D134 VanDerWaalsContact CZ-OD1 3.29Å; R102-D134 IonicContact NH1-OD1 2.69Å; R102-D134 PolarHBondContact NH1-OD1 2.86Å; R102-D134 IonicContact NH2-OD1 3.5Å; R102-D134 PolarHBondContact NH2-OD1 3.42Å; R102-E137 IonicContact NH1-OE2 3.95Å; R102-E137 PolarHBondContact NH1-OE2 2.91Å
103R93.3Very high87.8Confident0 Ų046.4 Ų46.40%028%0.283CS..EExtended strand (participates in β ladder)trans-90.8134.1172.1-77.2-174.1-168.8157.622.9110.3C67 E70 Y80 S82 E83 F85 E115 A116 L227C67-R103 VanDerWaalsContact C-NH2 3.26Å; C67-R103 PolarHBondContact O-NE 3.08Å; C67-R103 PolarHBondContact O-NH2 3.42Å; E70-R103 IonicContact OE1-NH1 3.22Å; E70-R103 PolarHBondContact OE1-NH1 3.47Å; E70-R103 IonicContact OE2-CZ 2.62Å; E70-R103 IonicContact OE2-NH1 2.84Å; E70-R103 PolarHBondContact OE2-NH1 3.02Å; E70-R103 IonicContact OE2-NH2 3.29Å; Y80-R103 HydrophobicContact CE1-CB 3.77Å; Y80-R103 WeakPolarHBondContact OH-CD 3.17Å; S82-R103 CarbonylContact C-O 3.6Å; S82-R103 VanDerWaalsContact CA-O 3.31Å; S82-R103 WeakPolarHBondContact CA-O 3.41Å; S82-R103 PolarHBondContact OG-O 3.3Å; E83-R103 HydrophobicContact CB-CB 4.46Å; E83-R103 PolarHBondContact N-O 3.11Å; E83-R103 PolarHBondContact O-N 3.29Å; F85-R103 HydrophobicContact CE1-CG 3.93Å; F85-R103 HydrophobicContact CZ-CG 4.48Å; F85-R103 VanDerWaalsContact CZ-NH2 3.26Å; R103-E115 WeakPolarHBondContact CA-O 3.43Å; R103-A116 HydrophobicContact CG-CB 3.92Å; R103-L227 VanDerWaalsContact CZ-CD1 3.46Å; R103-L227 VanDerWaalsContact NH1-CD1 3.33Å
104L90.8Very high88.3Confident8 Ų840.3 Ų40.34%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-148.3158.3179.558.284.7000111.1R102 P114 E115 F117 E137 R140R102-L104 HydrophobicContact CG-CD2 4.49Å; L104-P114 WeakPolarHBondContact O-CA 3.36Å; L104-E115 PolarHBondContact N-O 2.91Å; L104-E115 PolarHBondContact O-N 2.87Å; L104-F117 HydrophobicContact CD1-CE2 4.25Å; L104-F117 HydrophobicContact CD2-CD2 4.04Å; L104-F117 HydrophobicContact CD2-CE2 4.12Å; L104-F117 HydrophobicContact CG-CD2 4.35Å; L104-F117 HydrophobicContact CG-CE2 4.33Å; L104-E137 HydrophobicContact CD2-CG 4.36Å; L104-R140 VanDerWaalsContact CD1-CZ 3.44Å
105L89.1Confident88.7Confident28 Ų2839.8 Ų39.815%0.14724%0.235CC..PPolyproline II helixtrans-77131.2171.3-154.364.2000109.6L77 T78 R112L77-L105 HydrophobicContact CB-CD1 4.33Å; T78-L105 WeakPolarHBondContact O-CD2 3.2Å; L105-R112 HydrophobicContact CD1-CG 3.87Å; L105-R112 WeakPolarHBondContact CD1-O 3.01Å; L105-R112 HydrophobicContact CD2-CG 4.45Å; L105-R112 HydrophobicContact CG-CG 4.02Å
106P85.4Confident89.2Confident19 Ų1937.3 Ų37.312%0.12322%0.217CC..PPolyproline II helixtrans-61159.5172.621.3-29.2000112.4R112 P113 E115P106-R112 HydrophobicContact CG-CG 4.11Å; P106-R112 PolarHBondContact O-NE 3.41Å; P106-R112 PolarHBondContact O-NH2 3.12Å; P106-P113 WeakPolarHBondContact CD-O 3.42Å; P106-P113 WeakPolarHBondContact CG-O 3.25Å; P106-E115 HydrophobicContact CB-CG 4.31Å; P106-E115 HydrophobicContact CG-CG 4.08Å
107G80.3Confident89.4Confident66 Ų6634 Ų3468%0.6820%0.204SC*.SBendtrans-68146.6169.700000110.8
108G80.4Confident89.7Confident53 Ų5332.7 Ų32.755%0.54620%0.2SC..SBendtrans155.2-178.818000000114R112G108-R112 VanDerWaalsContact O-CZ 3.25Å; G108-R112 PolarHBondContact O-NH1 2.88Å; G108-R112 PolarHBondContact O-NH2 3.25Å; G108-R112 VanDerWaalsContact O-NH2 3.16Å
109R77.1Confident89.8Confident251 Ų25132 Ų3295%0.94720%0.196SC*.SBendtrans-108.3143.1171.2-68.9-172.1-74.5-153-2.1110.2
110G84.7Confident89.7Confident49 Ų4932 Ų3251%0.50520%0.196SC..SBendtrans80.2178.3177.300000114.8R112G110-R112 PolarHBondContact O-NH1 3.13Å
111A85.8Confident89.4Confident60 Ų6032 Ų3250%0.49620%0.196SC..  trans-69.5132.1-177.600000111.4P76 L77 T78P76-A111 HydrophobicContact CB-CB 3.78Å; L77-A111 WeakPolarHBondContact O-CA 3.08Å; T78-A111 HydrophobicContact CG2-CB 4Å
112R88.3Confident89Confident51 Ų5134.4 Ų34.419%0.19221%0.213CC..BIsolated β-bridgetrans-151.6155.2-175.659.2-161.2176.1-109.99111.3L77 L105 P106 G108 G110L77-R112 PolarHBondContact N-O 3.02Å; L77-R112 PolarHBondContact O-N 3.31Å; L105-R112 HydrophobicContact CD1-CG 3.87Å; L105-R112 WeakPolarHBondContact CD1-O 3.01Å; L105-R112 HydrophobicContact CD2-CG 4.45Å; L105-R112 HydrophobicContact CG-CG 4.02Å; P106-R112 HydrophobicContact CG-CG 4.11Å; P106-R112 PolarHBondContact O-NE 3.41Å; P106-R112 PolarHBondContact O-NH2 3.12Å; G108-R112 VanDerWaalsContact O-CZ 3.25Å; G108-R112 PolarHBondContact O-NH1 2.88Å; G108-R112 PolarHBondContact O-NH2 3.25Å; G108-R112 VanDerWaalsContact O-NH2 3.16Å; G110-R112 PolarHBondContact O-NH1 3.13Å
113P88.7Confident88.4Confident27 Ų2734.8 Ų34.818%0.17522%0.216CC..  trans-71.1151.1176.127.7-33.1000111.6L25 Y34 P106L25-P113 HydrophobicContact CB-CB 3.75Å; L25-P113 HydrophobicContact CB-CG 4.27Å; L25-P113 HydrophobicContact CD1-CB 3.85Å; L25-P113 HydrophobicContact CG-CB 4.37Å; Y34-P113 HydrophobicContact CE1-CB 4.4Å; Y34-P113 HydrophobicContact CE1-CG 4.01Å; P106-P113 WeakPolarHBondContact CD-O 3.42Å; P106-P113 WeakPolarHBondContact CG-O 3.25Å
114P91.4Very high87.8Confident0 Ų036 Ų360%023%0.227CC..  trans-66.9160.3168.627.1-32.6000112.3L25 F68 W74 Y80 L104L25-P114 HydrophobicContact CD1-CG 4.38Å; F68-P114 HydrophobicContact CE1-CG 4.13Å; W74-P114 HydrophobicContact CE3-CG 4.12Å; W74-P114 HydrophobicContact CH2-CG 4.25Å; W74-P114 HydrophobicContact CZ3-CG 3.74Å; Y80-P114 HydrophobicContact CD1-CB 4.44Å; Y80-P114 HydrophobicContact CE1-CB 4.48Å; L104-P114 WeakPolarHBondContact O-CA 3.36Å
115E92.5Very high87.4Confident39 Ų3935.8 Ų35.818%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-118.7145.3171.5-62.5-170.8135.800109.8S24 R103 L104 P106 R140S24-E115 PolarHBondContact OG-OE1 3.35Å; R103-E115 WeakPolarHBondContact CA-O 3.43Å; L104-E115 PolarHBondContact N-O 2.91Å; L104-E115 PolarHBondContact O-N 2.87Å; P106-E115 HydrophobicContact CB-CG 4.31Å; P106-E115 HydrophobicContact CG-CG 4.08Å; E115-R140 IonicContact OE2-CZ 3.62Å; E115-R140 IonicContact OE2-NH2 3.87Å; E115-R140 PolarHBondContact OE2-NH2 2.87Å
116A94.6Very high87Confident0 Ų036.2 Ų36.20%023%0.226CC..EExtended strand (participates in β ladder)trans-112.1120.2179.400000110.3V22 V23 C67 F68 R103V22-A116 CarbonylContact C-O 3.56Å; V22-A116 WeakPolarHBondContact CA-O 3.46Å; V23-A116 HydrophobicContact CB-CB 4.31Å; V23-A116 PolarHBondContact N-O 3.29Å; V23-A116 PolarHBondContact O-N 3.33Å; C67-A116 HydrophobicContact CB-CB 3.89Å; F68-A116 HydrophobicContact CD2-CB 4.46Å; F68-A116 HydrophobicContact CE2-CB 3.67Å; F68-A116 HydrophobicContact CZ-CB 3.81Å; R103-A116 HydrophobicContact CG-CB 3.92Å
117F94.1Very high86.9Confident2 Ų237.8 Ų37.81%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-89.9124166.4-72.1-102000108L20 V22 C101 R102 L104 F133 V136 M144 I147L20-F117 HydrophobicContact CD1-CD1 4.47Å; V22-F117 HydrophobicContact CG1-CE1 4.41Å; V22-F117 HydrophobicContact CG1-CE2 4.3Å; V22-F117 HydrophobicContact CG1-CZ 4.16Å; V22-F117 HydrophobicContact CG2-CD1 3.64Å; V22-F117 HydrophobicContact CG2-CE1 3.42Å; V22-F117 VanDerWaalsContact CG2-CE1 3.42Å; V22-F117 HydrophobicContact CG2-CG 4.35Å; V22-F117 HydrophobicContact CG2-CZ 3.98Å; C101-F117 CarbonylContact C-O 3.55Å; C101-F117 VanDerWaalsContact CA-O 3.28Å; C101-F117 WeakPolarHBondContact CA-O 3.14Å; R102-F117 PolarHBondContact N-O 2.86Å; R102-F117 PolarHBondContact O-N 2.79Å; L104-F117 HydrophobicContact CD1-CE2 4.25Å; L104-F117 HydrophobicContact CD2-CD2 4.04Å; L104-F117 HydrophobicContact CD2-CE2 4.12Å; L104-F117 HydrophobicContact CG-CD2 4.35Å; L104-F117 HydrophobicContact CG-CE2 4.33Å; F117-F133 HydrophobicContact CB-CD1 4.1Å; F117-F133 HydrophobicContact CB-CE1 3.69Å; F117-V136 HydrophobicContact CD1-CG1 3.73Å; F117-V136 HydrophobicContact CE1-CG1 3.9Å; F117-V136 HydrophobicContact CG-CG1 4.45Å; F117-M144 HydrophobicContact CE1-CE 4.47Å; F117-M144 HydrophobicContact CZ-CE 3.93Å; F117-M144 HydrophobicContact CZ-SD 4.3Å; F117-I147 HydrophobicContact CE1-CD1 3.91Å; F117-I147 HydrophobicContact CZ-CD1 4.47Å
118C95.8Very high87.1Confident0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-128.8124.1-178.2-174.70000112.4L20 V21 I63 C67 F87 Y100L20-C118 CarbonylContact C-O 3.59Å; L20-C118 WeakPolarHBondContact CA-O 3.45Å; V21-C118 HydrophobicContact CG2-CB 3.82Å; V21-C118 PolarHBondContact N-O 3.34Å; V21-C118 PolarHBondContact O-N 2.82Å; I63-C118 HydrophobicContact CG2-CB 4.49Å; C67-C118 WeakPolarHBondContact SG-CB 3.44Å; F87-C118 VanDerWaalsContact CE1-SG 3.58Å; F87-C118 VanDerWaalsContact CZ-SG 3.52Å; Y100-C118 CarbonylContact O-C 3.54Å; Y100-C118 WeakPolarHBondContact O-CA 3.47Å; Y100-C118 PolarHBondContact O-SG 2.96Å
119I94Very high87.5Confident0 Ų032.5 Ų32.50%019%0.19CC..EExtended strand (participates in β ladder)trans-104124.6173.9-64.3171.3000108.6F17 Y19 L20 G99 Y100 F129 I132 F133 M151F17-I119 HydrophobicContact CB-CG2 3.53Å; F17-I119 HydrophobicContact CD2-CG2 4.16Å; F17-I119 HydrophobicContact CG-CG2 3.85Å; Y19-I119 CarbonylContact O-C 3.51Å; Y19-I119 WeakPolarHBondContact O-CA 3.34Å; L20-I119 HydrophobicContact CB-CG1 4.45Å; L20-I119 HydrophobicContact CD1-CD1 4.47Å; L20-I119 HydrophobicContact CD1-CG1 3.64Å; G99-I119 CarbonylContact C-O 3.48Å; G99-I119 WeakPolarHBondContact CA-O 3.41Å; Y100-I119 PolarHBondContact N-O 3.21Å; Y100-I119 PolarHBondContact O-N 2.73Å; I119-F129 HydrophobicContact CB-CD1 4.31Å; I119-F129 HydrophobicContact CD1-CD1 4.03Å; I119-F129 HydrophobicContact CG2-CD1 3.83Å; I119-F129 HydrophobicContact CG2-CE1 3.56Å; I119-F129 HydrophobicContact CG2-CZ 4.43Å; I119-I132 HydrophobicContact CD1-CG2 3.71Å; I119-F133 HydrophobicContact CB-CZ 4.12Å; I119-F133 HydrophobicContact CD1-CD1 4.47Å; I119-F133 HydrophobicContact CD1-CE1 3.84Å; I119-F133 HydrophobicContact CD1-CE2 4.28Å; I119-F133 HydrophobicContact CD1-CZ 3.74Å; I119-F133 HydrophobicContact CG1-CE1 3.91Å; I119-F133 HydrophobicContact CG1-CZ 3.69Å; I119-M151 HydrophobicContact CD1-CE 3.82Å; I119-M151 HydrophobicContact CG1-CE 4.09Å
120I92.1Very high88.1Confident0 Ų022.1 Ų22.10%016%0.155CC..EExtended strand (participates in β ladder)trans-97.6126174.3-52.1-56.4000109.3E18 Y19 I63 F87 R97 N98E18-I120 PolarHBondContact N-O 3.21Å; Y19-I120 PolarHBondContact O-N 3.4Å; I63-I120 HydrophobicContact CD1-CD1 3.71Å; I63-I120 HydrophobicContact CD1-CG1 3.6Å; I63-I120 HydrophobicContact CG1-CD1 3.86Å; I63-I120 HydrophobicContact CG1-CG1 4.33Å; I63-I120 HydrophobicContact CG2-CD1 4.45Å; F87-I120 HydrophobicContact CE2-CD1 4.27Å; F87-I120 HydrophobicContact CZ-CD1 4.06Å; R97-I120 HydrophobicContact CB-CG2 4.31Å; N98-I120 WeakPolarHBondContact O-CA 3.5Å
121S89.6Confident88.3Confident2 Ų223.9 Ų23.91%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-149.2142.3176.5-171.20000112F16 N98 L123F16-S121 PolarHBondContact O-OG 3.39Å; N98-S121 PolarHBondContact N-O 2.98Å; N98-S121 PolarHBondContact O-N 3.11Å; S121-L123 PolarHBondContact O-N 2.85Å; S121-L123 WeakPolarHBondContact OG-CB 3.34Å; S121-L123 PolarHBondContact OG-N 2.95Å
122S85.5Confident88.5Confident51 Ų5121 Ų2136%0.35713%0.125SC..SBendtrans-70.1-10165.364.20000112.9Q14Q14-S122 PolarHBondContact NE2-OG 3.1Å
123L82.2Confident88.6Confident24 Ų2418.8 Ų18.813%0.12612%0.117CC..SBendtrans-90.8131.4-179.6-57.5166.9000110Y100 S121 F159Y100-L123 PolarHBondContact OH-O 3.14Å; S121-L123 PolarHBondContact O-N 2.85Å; S121-L123 WeakPolarHBondContact OG-CB 3.34Å; S121-L123 PolarHBondContact OG-N 2.95Å; L123-F159 HydrophobicContact CB-CE1 4.44Å; L123-F159 HydrophobicContact CB-CE2 4.28Å; L123-F159 HydrophobicContact CB-CZ 4.07Å; L123-F159 HydrophobicContact CD1-CB 4.01Å; L123-F159 HydrophobicContact CD1-CD1 3.75Å; L123-F159 HydrophobicContact CD1-CD2 3.32Å; L123-F159 HydrophobicContact CD1-CE1 3.95Å; L123-F159 HydrophobicContact CD1-CE2 3.58Å; L123-F159 HydrophobicContact CD1-CG 3.42Å; L123-F159 VanDerWaalsContact CD1-CG 3.42Å; L123-F159 HydrophobicContact CD1-CZ 3.89Å; L123-F159 HydrophobicContact CD2-CD1 4.28Å; L123-F159 HydrophobicContact CD2-CE1 4.22Å; L123-F159 HydrophobicContact CG-CE1 4.42Å; L123-F159 HydrophobicContact CG-CE2 4.48Å; L123-F159 HydrophobicContact CG-CZ 4.4Å
124A81.3Confident88.7Confident27 Ų2721.1 Ų21.122%0.22313%0.128CC..  trans-98.686.1-176.800000111.2Y100 E191 H192Y100-A124 WeakPolarHBondContact OH-CA 3.39Å; A124-E191 WeakPolarHBondContact O-CB 3.22Å; A124-H192 HydrophobicContact CB-CB 3.89Å
125C82.8Confident88.7Confident2 Ų222.6 Ų22.61%0.01414%0.135CC..  trans-143.580.6-177.7-1620000113.9Y100 G127 L128 F129 F159 E191Y100-C125 PolarHBondContact OH-N 3.02Å; C125-G127 PolarHBondContact O-N 3.38Å; C125-L128 HydrophobicContact CB-CB 4.12Å; C125-L128 PolarHBondContact O-N 2.74Å; C125-L128 WeakPolarHBondContact SG-CB 3.18Å; C125-F129 WeakPolarHBondContact O-CD2 3.44Å; C125-F129 PolarHBondContact O-N 3.49Å; C125-F129 VanDerWaalsContact O-N 3.12Å; C125-F159 HydrophobicContact CB-CZ 4.21Å; C125-E191 CarbonylContact C-O 3.52Å; C125-E191 WeakPolarHBondContact CA-O 3.43Å; C125-E191 HydrophobicContact CB-CB 4.28Å
126F81.1Confident88.5Confident37 Ų3720.9 Ų20.916%0.16213%0.127CC..Hα-helixtrans-61.2-45-171.5-169.8-95.5000112.8T84 Y100 L128 F129 S130 E191T84-F126 HydrophobicContact CG2-CE1 4.41Å; T84-F126 HydrophobicContact CG2-CE2 4.03Å; T84-F126 HydrophobicContact CG2-CZ 3.57Å; Y100-F126 AromaticContact CD1-CD2 3.85Å; Y100-F126 HydrophobicContact CD1-CD2 3.85Å; Y100-F126 HydrophobicContact CD1-CE2 4.48Å; Y100-F126 HydrophobicContact CE1-CB 4.22Å; Y100-F126 AromaticContact CE1-CD2 3.91Å; Y100-F126 HydrophobicContact CE1-CD2 3.91Å; F126-L128 VanDerWaalsContact C-N 3.3Å; F126-L128 PolarHBondContact O-N 3.23Å; F126-F129 PolarHBondContact O-N 3.13Å; F126-S130 WeakPolarHBondContact O-CB 3.48Å; F126-S130 PolarHBondContact O-N 3.26Å; F126-E191 PolarHBondContact N-O 3.39Å
127G81.4Confident88.2Confident52 Ų5223.3 Ų23.354%0.53614%0.139SC..Hα-helixtrans-61.5-37.8-179.700000113C125 K131C125-G127 PolarHBondContact O-N 3.38Å; G127-K131 PolarHBondContact O-N 2.66Å; G127-K131 VanDerWaalsContact O-N 3.15Å
128L86.4Confident87.9Confident8 Ų826.7 Ų26.74%0.04215%0.153CC..Hα-helixtrans-70.9-44.3179-171.1151.9000111.3F16 C125 F126 S130 K131 I132 F159 P160 L182F16-L128 HydrophobicContact CE1-CD2 3.29Å; F16-L128 HydrophobicContact CZ-CD1 4.07Å; F16-L128 HydrophobicContact CZ-CD2 3.36Å; F16-L128 HydrophobicContact CZ-CG 4.3Å; C125-L128 HydrophobicContact CB-CB 4.12Å; C125-L128 PolarHBondContact O-N 2.74Å; C125-L128 WeakPolarHBondContact SG-CB 3.18Å; F126-L128 VanDerWaalsContact C-N 3.3Å; F126-L128 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-K131 PolarHBondContact O-N 3.43Å; L128-I132 HydrophobicContact CD2-CD1 3.44Å; L128-I132 VanDerWaalsContact CD2-CD1 3.44Å; L128-I132 HydrophobicContact CD2-CG1 4.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 2.97Å; L128-F159 HydrophobicContact CD1-CE2 4.34Å; L128-F159 HydrophobicContact CD2-CE2 4.44Å; L128-P160 HydrophobicContact CD1-CG 3.82Å; L128-L182 HydrophobicContact CD1-CB 4.15Å; L128-L182 HydrophobicContact CG-CB 4.33Å
129F88.9Confident87.5Confident1 Ų126.7 Ų26.70%0.00415%0.153CC..Hα-helixtrans-67.3-33.4175.9-72.2-67000112.6F17 Y100 I119 C125 F126 K131 I132 F133F17-F129 HydrophobicContact CB-CE1 4.36Å; Y100-F129 HydrophobicContact CD1-CB 4.07Å; Y100-F129 HydrophobicContact CD1-CD2 4.1Å; Y100-F129 HydrophobicContact CD1-CG 4.35Å; Y100-F129 HydrophobicContact CD2-CB 4.15Å; Y100-F129 HydrophobicContact CD2-CD1 4.21Å; Y100-F129 AromaticContact CD2-CD2 3.32Å; Y100-F129 HydrophobicContact CD2-CD2 3.32Å; Y100-F129 AromaticContact CD2-CE2 3.7Å; Y100-F129 HydrophobicContact CD2-CE2 3.7Å; Y100-F129 AromaticContact CD2-CG 3.63Å; Y100-F129 HydrophobicContact CD2-CG 3.63Å; Y100-F129 HydrophobicContact CD2-CZ 4.29Å; Y100-F129 AromaticContact CE1-CD2 3.97Å; Y100-F129 HydrophobicContact CE1-CD2 3.97Å; Y100-F129 AromaticContact CE2-CD2 3.13Å; Y100-F129 HydrophobicContact CE2-CD2 3.13Å; Y100-F129 AromaticContact CE2-CE2 3.24Å; Y100-F129 HydrophobicContact CE2-CE2 3.24Å; Y100-F129 AromaticContact CE2-CG 3.95Å; Y100-F129 HydrophobicContact CE2-CG 3.95Å; Y100-F129 HydrophobicContact CE2-CZ 4.11Å; Y100-F129 HydrophobicContact CG-CB 3.82Å; Y100-F129 AromaticContact CG-CD2 3.8Å; Y100-F129 HydrophobicContact CG-CD2 3.8Å; Y100-F129 AromaticContact CG-CG 3.85Å; Y100-F129 HydrophobicContact CG-CG 3.85Å; Y100-F129 AromaticContact CZ-CD2 3.49Å; Y100-F129 VanDerWaalsContact CZ-CD2 3.49Å; Y100-F129 AromaticContact CZ-CE2 3.85Å; I119-F129 HydrophobicContact CB-CD1 4.31Å; I119-F129 HydrophobicContact CD1-CD1 4.03Å; I119-F129 HydrophobicContact CG2-CD1 3.83Å; I119-F129 HydrophobicContact CG2-CE1 3.56Å; I119-F129 HydrophobicContact CG2-CZ 4.43Å; C125-F129 WeakPolarHBondContact O-CD2 3.44Å; C125-F129 PolarHBondContact O-N 3.49Å; C125-F129 VanDerWaalsContact O-N 3.12Å; F126-F129 PolarHBondContact O-N 3.13Å; F129-K131 VanDerWaalsContact C-N 3.35Å; F129-K131 PolarHBondContact O-N 3.43Å; F129-I132 HydrophobicContact CD1-CD1 3.76Å; F129-I132 HydrophobicContact CE1-CD1 4.13Å; F129-I132 WeakPolarHBondContact O-CB 3.41Å; F129-I132 PolarHBondContact O-N 3.01Å; F129-F133 WeakPolarHBondContact O-CD2 3.23Å; F129-F133 PolarHBondContact O-N 2.69Å
130S88.1Confident87.1Confident32 Ų3228.9 Ų28.922%0.22416%0.162CC..Hα-helixtrans-59.2-46.7171.6-169.90000111.3R102 F126 L128 I132 F133 D134R102-S130 PolarHBondContact NH2-O 3.48Å; R102-S130 PolarHBondContact NH2-OG 2.56Å; F126-S130 WeakPolarHBondContact O-CB 3.48Å; F126-S130 PolarHBondContact O-N 3.26Å; L128-S130 VanDerWaalsContact C-N 3.33Å; S130-I132 VanDerWaalsContact C-N 3.31Å; S130-I132 PolarHBondContact O-N 3.33Å; S130-F133 PolarHBondContact O-N 2.98Å; S130-F133 VanDerWaalsContact O-N 3.07Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.29Å
131K88.9Confident86.7Confident86 Ų8636.4 Ų36.437%0.37420%0.197SC..Hα-helixtrans-62.7-37.1176.2-172.6167.5-176173.40112.4G127 L128 F129 F133 D134 E135 H181 L182G127-K131 PolarHBondContact O-N 2.66Å; G127-K131 VanDerWaalsContact O-N 3.15Å; L128-K131 PolarHBondContact O-N 3.43Å; F129-K131 VanDerWaalsContact C-N 3.35Å; F129-K131 PolarHBondContact O-N 3.43Å; K131-F133 VanDerWaalsContact C-N 3.33Å; K131-D134 PolarHBondContact O-N 3.23Å; K131-E135 WeakPolarHBondContact O-CG 3.44Å; K131-E135 PolarHBondContact O-N 3.27Å; K131-H181 VanDerWaalsContact CE-O 3.29Å; K131-H181 WeakPolarHBondContact CE-O 3.11Å; K131-H181 PolarHBondContact NZ-O 3.11Å; K131-L182 HydrophobicContact CB-CD2 4.35Å; K131-L182 HydrophobicContact CD-CD2 3.98Å; K131-L182 HydrophobicContact CG-CD2 4.05Å
132I91Very high86.6Confident0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-61.8-43172.4-68.3161.4000110.7F16 I119 L128 F129 S130 E135 V136 F150 M151 L154 L182F16-I132 HydrophobicContact CD1-CD1 4.39Å; F16-I132 HydrophobicContact CE1-CD1 3.69Å; F16-I132 HydrophobicContact CZ-CD1 4.43Å; I119-I132 HydrophobicContact CD1-CG2 3.71Å; L128-I132 HydrophobicContact CD2-CD1 3.44Å; L128-I132 VanDerWaalsContact CD2-CD1 3.44Å; L128-I132 HydrophobicContact CD2-CG1 4.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 2.97Å; F129-I132 HydrophobicContact CD1-CD1 3.76Å; F129-I132 HydrophobicContact CE1-CD1 4.13Å; F129-I132 WeakPolarHBondContact O-CB 3.41Å; F129-I132 PolarHBondContact O-N 3.01Å; S130-I132 VanDerWaalsContact C-N 3.31Å; S130-I132 PolarHBondContact O-N 3.33Å; I132-E135 WeakPolarHBondContact O-CB 3.34Å; I132-E135 PolarHBondContact O-N 2.89Å; I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.17Å; I132-V136 PolarHBondContact O-N 3.47Å; I132-F150 HydrophobicContact CG2-CE1 4.18Å; I132-F150 HydrophobicContact CG2-CZ 4.49Å; I132-M151 HydrophobicContact CG2-CE 4.45Å; I132-M151 HydrophobicContact CG2-SD 4.36Å; I132-L154 HydrophobicContact CB-CD2 4.47Å; I132-L154 HydrophobicContact CD1-CD1 4.26Å; I132-L154 HydrophobicContact CD1-CD2 3.65Å; I132-L154 HydrophobicContact CG1-CD1 4.49Å; I132-L154 HydrophobicContact CG1-CD2 3.87Å; I132-L154 HydrophobicContact CG2-CD2 3.72Å; I132-L182 HydrophobicContact CD1-CD1 4.45Å; I132-L182 HydrophobicContact CG1-CD1 4.17Å; I132-L182 HydrophobicContact CG1-CD2 4.33Å
133F91.1Very high86.6Confident4 Ų440.6 Ų40.62%0.01822%0.218CC..Hα-helixtrans-66.1-36.6178.4-76.4-56.7000113.2Y100 R102 F117 I119 F129 S130 K131 E135 V136 E137Y100-F133 VanDerWaalsContact O-CZ 3.3Å; Y100-F133 WeakPolarHBondContact O-CZ 3.34Å; R102-F133 HydrophobicContact CB-CB 4.11Å; R102-F133 HydrophobicContact CB-CD1 3.81Å; R102-F133 HydrophobicContact CB-CD2 4.05Å; R102-F133 HydrophobicContact CB-CE1 4.23Å; R102-F133 HydrophobicContact CB-CE2 4.42Å; R102-F133 HydrophobicContact CB-CG 3.73Å; R102-F133 HydrophobicContact CG-CB 4.26Å; R102-F133 HydrophobicContact CG-CG 4.41Å; F117-F133 HydrophobicContact CB-CD1 4.1Å; F117-F133 HydrophobicContact CB-CE1 3.69Å; I119-F133 HydrophobicContact CB-CZ 4.12Å; I119-F133 HydrophobicContact CD1-CD1 4.47Å; I119-F133 HydrophobicContact CD1-CE1 3.84Å; I119-F133 HydrophobicContact CD1-CE2 4.28Å; I119-F133 HydrophobicContact CD1-CZ 3.74Å; I119-F133 HydrophobicContact CG1-CE1 3.91Å; I119-F133 HydrophobicContact CG1-CZ 3.69Å; F129-F133 WeakPolarHBondContact O-CD2 3.23Å; F129-F133 PolarHBondContact O-N 2.69Å; S130-F133 PolarHBondContact O-N 2.98Å; S130-F133 VanDerWaalsContact O-N 3.07Å; K131-F133 VanDerWaalsContact C-N 3.33Å; F133-E135 VanDerWaalsContact C-N 3.25Å; F133-E135 PolarHBondContact O-N 2.97Å; F133-V136 PolarHBondContact O-N 3.11Å; F133-V136 VanDerWaalsContact O-N 3.17Å; F133-E137 WeakPolarHBondContact O-CB 3.45Å; F133-E137 PolarHBondContact O-N 2.83Å
134D90.2Very high86.7Confident77 Ų7743.4 Ų43.441%0.41223%0.231SC..Hα-helixtrans-59.5-41.2173.9-58.9-26.5000110.7R102 S130 K131 E137 K138R102-D134 IonicContact CZ-OD1 3.47Å; R102-D134 VanDerWaalsContact CZ-OD1 3.29Å; R102-D134 IonicContact NH1-OD1 2.69Å; R102-D134 PolarHBondContact NH1-OD1 2.86Å; R102-D134 IonicContact NH2-OD1 3.5Å; R102-D134 PolarHBondContact NH2-OD1 3.42Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.29Å; K131-D134 PolarHBondContact O-N 3.23Å; D134-E137 PolarHBondContact O-N 2.82Å; D134-K138 WeakPolarHBondContact O-CB 3.37Å; D134-K138 PolarHBondContact O-N 2.83Å
135E90.5Very high86.9Confident31 Ų3145.4 Ų45.415%0.14525%0.248CC..Hα-helixtrans-68.9-36.2175.3-68.9-60.8152.600113.1K131 I132 F133 R139 F150 I180K131-E135 WeakPolarHBondContact O-CG 3.44Å; K131-E135 PolarHBondContact O-N 3.27Å; I132-E135 WeakPolarHBondContact O-CB 3.34Å; I132-E135 PolarHBondContact O-N 2.89Å; F133-E135 VanDerWaalsContact C-N 3.25Å; F133-E135 PolarHBondContact O-N 2.97Å; E135-R139 WeakPolarHBondContact O-CD 3.21Å; E135-R139 WeakPolarHBondContact O-CG 3.43Å; E135-R139 PolarHBondContact O-N 2.87Å; E135-R139 PolarHBondContact O-NH1 3.12Å; E135-R139 IonicContact OE2-CZ 3.36Å; E135-R139 IonicContact OE2-NH1 3.25Å; E135-R139 PolarHBondContact OE2-NH1 2.86Å; E135-R139 IonicContact OE2-NH2 2.71Å; E135-F150 HydrophobicContact CB-CE1 3.91Å; E135-F150 HydrophobicContact CB-CZ 3.74Å; E135-F150 HydrophobicContact CG-CZ 4.43Å; E135-I180 HydrophobicContact CB-CD1 4.28Å; E135-I180 HydrophobicContact CG-CD1 3.76Å; E135-I180 HydrophobicContact CG-CG1 4.16Å; E135-I180 HydrophobicContact CG-CG2 4.11Å; E135-I180 WeakPolarHBondContact OE2-CD1 3.27Å
136V89.1Confident87.2Confident2 Ų246.9 Ų46.91%0.01226%0.256CS..Hα-helixtrans-65.9-44.7173.5169.70000110.7F117 I132 F133 R139 R140 I147 F150 M151F117-V136 HydrophobicContact CD1-CG1 3.73Å; F117-V136 HydrophobicContact CE1-CG1 3.9Å; F117-V136 HydrophobicContact CG-CG1 4.45Å; I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.17Å; I132-V136 PolarHBondContact O-N 3.47Å; F133-V136 PolarHBondContact O-N 3.11Å; F133-V136 VanDerWaalsContact O-N 3.17Å; V136-R139 PolarHBondContact O-N 3.04Å; V136-R140 VanDerWaalsContact O-CB 3.3Å; V136-R140 WeakPolarHBondContact O-CB 3.43Å; V136-R140 PolarHBondContact O-N 3.44Å; V136-I147 HydrophobicContact CG1-CD1 3.93Å; V136-I147 HydrophobicContact CG1-CG1 4.28Å; V136-I147 HydrophobicContact CG1-CG2 4.37Å; V136-F150 HydrophobicContact CG2-CD1 4.24Å; V136-F150 HydrophobicContact CG2-CE1 4.01Å; V136-M151 HydrophobicContact CG2-SD 3.98Å
137E87Confident87.5Confident51 Ų5145.2 Ų45.224%0.23825%0.249CC..Hα-helixtrans-64.3-43.8179.8-174.6165.7-164.300111.5R102 L104 F133 D134 R139 R140 Q141R102-E137 IonicContact NH1-OE2 3.95Å; R102-E137 PolarHBondContact NH1-OE2 2.91Å; L104-E137 HydrophobicContact CD2-CG 4.36Å; F133-E137 WeakPolarHBondContact O-CB 3.45Å; F133-E137 PolarHBondContact O-N 2.83Å; D134-E137 PolarHBondContact O-N 2.82Å; E137-R139 PolarHBondContact O-N 3.4Å; E137-R140 WeakPolarHBondContact O-CB 3.37Å; E137-R140 PolarHBondContact O-N 3.33Å; E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 2.79Å; E137-Q141 VanDerWaalsContact O-N 3.17Å
138K87.9Confident87.8Confident73 Ų7347.3 Ų47.332%0.31724%0.241SC..Hα-helixtrans-55.8-47173.1-177.6-177.7177.6-1740112.3D134 Q141 I172 E178D134-K138 WeakPolarHBondContact O-CB 3.37Å; D134-K138 PolarHBondContact O-N 2.83Å; K138-Q141 PolarHBondContact O-N 2.86Å; K138-I172 HydrophobicContact CD-CD1 4.34Å; K138-E178 IonicContact NZ-OE1 2.64Å; K138-E178 PolarHBondContact NZ-OE1 3.34Å; K138-E178 IonicContact NZ-OE2 3.62Å; K138-E178 PolarHBondContact NZ-OE2 3.26Å
139R88.3Confident87.9Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-67.7-37.5178.9-76.5163.6-177.266.56.3112.4E135 V136 E137 Q141 I142 S143 L146 I147 S170 I172E135-R139 WeakPolarHBondContact O-CD 3.21Å; E135-R139 WeakPolarHBondContact O-CG 3.43Å; E135-R139 PolarHBondContact O-N 2.87Å; E135-R139 PolarHBondContact O-NH1 3.12Å; E135-R139 IonicContact OE2-CZ 3.36Å; E135-R139 IonicContact OE2-NH1 3.25Å; E135-R139 PolarHBondContact OE2-NH1 2.86Å; E135-R139 IonicContact OE2-NH2 2.71Å; V136-R139 PolarHBondContact O-N 3.04Å; E137-R139 PolarHBondContact O-N 3.4Å; R139-Q141 VanDerWaalsContact C-N 3.29Å; R139-Q141 PolarHBondContact O-N 3.27Å; R139-I142 PolarHBondContact O-N 2.85Å; R139-I142 VanDerWaalsContact O-N 3.07Å; R139-S143 PolarHBondContact O-N 2.73Å; R139-L146 HydrophobicContact CB-CB 4.11Å; R139-L146 HydrophobicContact CG-CB 4.31Å; R139-I147 HydrophobicContact CB-CG1 4.33Å; R139-S170 PolarHBondContact NE-OG 3.34Å; R139-S170 PolarHBondContact NH2-OG 3.2Å; R139-I172 HydrophobicContact CG-CD1 4.35Å
140R85.2Confident88Confident47 Ų4750 Ų5018%0.17726%0.259CS..Hα-helixtrans-59.7-37.8178163164.5-149.2-78.21112.8L104 E115 V136 E137 I142 M144 I147L104-R140 VanDerWaalsContact CD1-CZ 3.44Å; E115-R140 IonicContact OE2-CZ 3.62Å; E115-R140 IonicContact OE2-NH2 3.87Å; E115-R140 PolarHBondContact OE2-NH2 2.87Å; V136-R140 VanDerWaalsContact O-CB 3.3Å; V136-R140 WeakPolarHBondContact O-CB 3.43Å; V136-R140 PolarHBondContact O-N 3.44Å; E137-R140 WeakPolarHBondContact O-CB 3.37Å; E137-R140 PolarHBondContact O-N 3.33Å; R140-I142 PolarHBondContact O-N 2.97Å; R140-M144 HydrophobicContact CB-CE 3.43Å; R140-M144 VanDerWaalsContact CB-CE 3.43Å; R140-M144 HydrophobicContact CG-CE 3.17Å; R140-M144 VanDerWaalsContact NE-CE 3.3Å; R140-I147 HydrophobicContact CB-CD1 4.3Å
141Q85Confident88.1Confident158 Ų15848.4 Ų48.474%0.73825%0.248SC*.THydrogen-bonded Turntrans-60.6-23.2176.6-69.4176.10.800112.7E137 K138 R139E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 2.79Å; E137-Q141 VanDerWaalsContact O-N 3.17Å; K138-Q141 PolarHBondContact O-N 2.86Å; R139-Q141 VanDerWaalsContact C-N 3.29Å; R139-Q141 PolarHBondContact O-N 3.27Å
142I87.3Confident88.1Confident88 Ų8847.5 Ų47.545%0.45125%0.245SC..THydrogen-bonded Turntrans-95.4-58.5177.4-55.4167.8000110.2R139 R140 L146 I172R139-I142 PolarHBondContact O-N 2.85Å; R139-I142 VanDerWaalsContact O-N 3.07Å; R140-I142 PolarHBondContact O-N 2.97Å; I142-L146 HydrophobicContact CB-CD1 3.82Å; I142-L146 HydrophobicContact CD1-CD1 4.47Å; I142-L146 HydrophobicContact CG2-CD1 3.6Å; I142-I172 HydrophobicContact CD1-CG2 3.28Å
143S85.9Confident87.9Confident52 Ų5251.9 Ų51.936%0.36426%0.264SS..  trans-166.3138.2177.7176.80000112.5R139 A145 L146R139-S143 PolarHBondContact O-N 2.73Å; S143-A145 PolarHBondContact O-N 2.88Å; S143-A145 VanDerWaalsContact O-N 3.14Å; S143-A145 PolarHBondContact OG-N 2.77Å; S143-L146 WeakPolarHBondContact O-CB 3.37Å; S143-L146 PolarHBondContact O-N 2.95Å; S143-L146 VanDerWaalsContact O-N 3.08Å
144M83.6Confident87.9Confident83 Ų8351.7 Ų51.741%0.40926%0.263SS..G310 helixtrans-53.1-31.7170.2-82.1-67.5109.100113.1F117 R140 L146 I147F117-M144 HydrophobicContact CE1-CE 4.47Å; F117-M144 HydrophobicContact CZ-CE 3.93Å; F117-M144 HydrophobicContact CZ-SD 4.3Å; R140-M144 HydrophobicContact CB-CE 3.43Å; R140-M144 VanDerWaalsContact CB-CE 3.43Å; R140-M144 HydrophobicContact CG-CE 3.17Å; R140-M144 VanDerWaalsContact NE-CE 3.3Å; M144-L146 PolarHBondContact O-N 2.83Å; M144-I147 HydrophobicContact CE-CD1 3.42Å; M144-I147 VanDerWaalsContact CE-CD1 3.42Å; M144-I147 PolarHBondContact O-N 3.46Å; M144-I147 HydrophobicContact SD-CD1 3.69Å
145A86Confident87.7Confident70 Ų7050.3 Ų50.358%0.57925%0.252SS*.G310 helixtrans-65-21.7-178.800000113.2S143 I147 P149S143-A145 PolarHBondContact O-N 2.88Å; S143-A145 VanDerWaalsContact O-N 3.14Å; S143-A145 PolarHBondContact OG-N 2.77Å; A145-I147 VanDerWaalsContact C-N 3.33Å; A145-P149 WeakPolarHBondContact O-CD 3.41Å
146L87.8Confident87.5Confident32 Ų3255.2 Ų55.217%0.16828%0.275CS..G310 helixtrans-79.5-15.3179.9-62.9174.9000113.4R139 I142 S143 M144 P173R139-L146 HydrophobicContact CB-CB 4.11Å; R139-L146 HydrophobicContact CG-CB 4.31Å; I142-L146 HydrophobicContact CB-CD1 3.82Å; I142-L146 HydrophobicContact CD1-CD1 4.47Å; I142-L146 HydrophobicContact CG2-CD1 3.6Å; S143-L146 WeakPolarHBondContact O-CB 3.37Å; S143-L146 PolarHBondContact O-N 2.95Å; S143-L146 VanDerWaalsContact O-N 3.08Å; M144-L146 PolarHBondContact O-N 2.83Å; L146-P173 HydrophobicContact CD1-CG 4.05Å; L146-P173 HydrophobicContact CD2-CG 3.95Å
147I88Confident87.3Confident3 Ų356.2 Ų56.22%0.01528%0.284CS..Hα-helixtrans-70-41.2177.6-62172.9000109.9L20 F117 V136 R139 R140 M144 A145 F150 M151L20-I147 HydrophobicContact CD2-CG2 3.93Å; F117-I147 HydrophobicContact CE1-CD1 3.91Å; F117-I147 HydrophobicContact CZ-CD1 4.47Å; V136-I147 HydrophobicContact CG1-CD1 3.93Å; V136-I147 HydrophobicContact CG1-CG1 4.28Å; V136-I147 HydrophobicContact CG1-CG2 4.37Å; R139-I147 HydrophobicContact CB-CG1 4.33Å; R140-I147 HydrophobicContact CB-CD1 4.3Å; M144-I147 HydrophobicContact CE-CD1 3.42Å; M144-I147 VanDerWaalsContact CE-CD1 3.42Å; M144-I147 PolarHBondContact O-N 3.46Å; M144-I147 HydrophobicContact SD-CD1 3.69Å; A145-I147 VanDerWaalsContact C-N 3.33Å; I147-F150 PolarHBondContact O-N 3.1Å; I147-M151 HydrophobicContact CG2-CG 3.67Å; I147-M151 VanDerWaalsContact O-CG 3.3Å; I147-M151 WeakPolarHBondContact O-CG 3.44Å; I147-M151 PolarHBondContact O-N 2.93Å
148Y87.6Confident87.2Confident95 Ų9558.5 Ų58.537%0.37331%0.305SS..Hα-helixtrans-57.9-53.7-176175.6-83.3000113.1F42 F150 M151 Q152F42-Y148 AromaticContact CD2-CD2 3.58Å; F42-Y148 HydrophobicContact CD2-CD2 3.58Å; F42-Y148 AromaticContact CD2-CE2 3.54Å; F42-Y148 HydrophobicContact CD2-CE2 3.54Å; F42-Y148 AromaticContact CE2-CD2 3.86Å; F42-Y148 HydrophobicContact CE2-CD2 3.86Å; F42-Y148 AromaticContact CE2-CE2 3.49Å; F42-Y148 HydrophobicContact CE2-CE2 3.49Å; F42-Y148 VanDerWaalsContact CE2-CE2 3.49Å; Y148-F150 VanDerWaalsContact C-N 3.26Å; Y148-F150 PolarHBondContact O-N 3.09Å; Y148-M151 PolarHBondContact O-N 3.48Å; Y148-Q152 WeakPolarHBondContact O-CB 3.37Å; Y148-Q152 PolarHBondContact O-N 3.42Å; Y148-Q152 PolarHBondContact OH-OE1 3.36Å
149P89.1Confident87Confident64 Ų6456.9 Ų56.942%0.41630%0.298SS..Hα-helixtrans-61.1-34178.8-23.634.1000113.5A145 K153A145-P149 WeakPolarHBondContact O-CD 3.41Å; P149-K153 WeakPolarHBondContact O-CG 3.37Å; P149-K153 PolarHBondContact O-N 3.09Å
150F90.3Very high86.8Confident1 Ų157 Ų570%0.00430%0.299CS..Hα-helixtrans-68-49.9176.6170.8-118.1000111.6I132 E135 V136 I147 Y148 Q152 K153 L154 I168 I180I132-F150 HydrophobicContact CG2-CE1 4.18Å; I132-F150 HydrophobicContact CG2-CZ 4.49Å; E135-F150 HydrophobicContact CB-CE1 3.91Å; E135-F150 HydrophobicContact CB-CZ 3.74Å; E135-F150 HydrophobicContact CG-CZ 4.43Å; V136-F150 HydrophobicContact CG2-CD1 4.24Å; V136-F150 HydrophobicContact CG2-CE1 4.01Å; I147-F150 PolarHBondContact O-N 3.1Å; Y148-F150 VanDerWaalsContact C-N 3.26Å; Y148-F150 PolarHBondContact O-N 3.09Å; F150-Q152 VanDerWaalsContact C-N 3.28Å; F150-Q152 PolarHBondContact O-N 3.38Å; F150-K153 PolarHBondContact O-N 3.22Å; F150-L154 WeakPolarHBondContact O-CB 3.26Å; F150-L154 PolarHBondContact O-N 3.04Å; F150-I168 HydrophobicContact CD2-CG2 4.13Å; F150-I168 HydrophobicContact CE2-CG2 3.94Å; F150-I180 HydrophobicContact CD2-CD1 4.12Å; F150-I180 HydrophobicContact CE2-CD1 3.45Å; F150-I180 VanDerWaalsContact CE2-CD1 3.45Å; F150-I180 HydrophobicContact CZ-CD1 4.1Å
151M89.8Confident86.7Confident0 Ų057.1 Ų57.10%031%0.31CS..Hα-helixtrans-65.4-33.1179.8-64.7-53.2-89.500112.1F17 L20 F42 I119 I132 V136 I147 Y148 L154 R155F17-M151 HydrophobicContact CE1-CE 4.01Å; F17-M151 HydrophobicContact CE2-CE 4.19Å; F17-M151 HydrophobicContact CZ-CB 4.16Å; F17-M151 HydrophobicContact CZ-CE 3.71Å; L20-M151 HydrophobicContact CB-CE 3.7Å; L20-M151 HydrophobicContact CD1-CE 4.02Å; L20-M151 HydrophobicContact CD2-CE 3.62Å; L20-M151 HydrophobicContact CD2-CG 3.81Å; L20-M151 HydrophobicContact CD2-SD 4.32Å; L20-M151 HydrophobicContact CG-CE 3.95Å; F42-M151 HydrophobicContact CD1-CB 3.79Å; F42-M151 HydrophobicContact CE1-CB 3.91Å; F42-M151 HydrophobicContact CG-CB 4.31Å; I119-M151 HydrophobicContact CD1-CE 3.82Å; I119-M151 HydrophobicContact CG1-CE 4.09Å; I132-M151 HydrophobicContact CG2-CE 4.45Å; I132-M151 HydrophobicContact CG2-SD 4.36Å; V136-M151 HydrophobicContact CG2-SD 3.98Å; I147-M151 HydrophobicContact CG2-CG 3.67Å; I147-M151 VanDerWaalsContact O-CG 3.3Å; I147-M151 WeakPolarHBondContact O-CG 3.44Å; I147-M151 PolarHBondContact O-N 2.93Å; Y148-M151 PolarHBondContact O-N 3.48Å; M151-L154 PolarHBondContact O-N 2.9Å; M151-L154 HydrophobicContact SD-CD2 4.15Å; M151-R155 VanDerWaalsContact O-CB 3.31Å; M151-R155 WeakPolarHBondContact O-CB 3.43Å; M151-R155 PolarHBondContact O-N 3.38Å
152Q88.7Confident86.5Confident66 Ų6651.4 Ų51.431%0.30829%0.286SS..Hα-helixtrans-62.4-52.1172.7-178.2172.4-7.400111.9F42 Y148 F150 L154 R155 E156F42-Q152 HydrophobicContact CE2-CB 4.22Å; F42-Q152 HydrophobicContact CZ-CB 3.94Å; Y148-Q152 WeakPolarHBondContact O-CB 3.37Å; Y148-Q152 PolarHBondContact O-N 3.42Å; Y148-Q152 PolarHBondContact OH-OE1 3.36Å; F150-Q152 VanDerWaalsContact C-N 3.28Å; F150-Q152 PolarHBondContact O-N 3.38Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 3.5Å; Q152-R155 PolarHBondContact O-N 2.71Å; Q152-E156 VanDerWaalsContact CG-OE1 3.22Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.13Å; Q152-E156 PolarHBondContact NE2-OE1 2.81Å; Q152-E156 WeakPolarHBondContact O-CG 3.39Å; Q152-E156 PolarHBondContact O-N 3.35Å
153K88.4Confident86.2Confident92 Ų9249 Ų4940%0.428%0.283SS..Hα-helixtrans-60.6-38.9176.8-74.3-178.9172.9-1800112.7P149 F150 A157 I168 K169P149-K153 WeakPolarHBondContact O-CG 3.37Å; P149-K153 PolarHBondContact O-N 3.09Å; F150-K153 PolarHBondContact O-N 3.22Å; K153-A157 WeakPolarHBondContact O-CB 3.23Å; K153-A157 PolarHBondContact O-N 2.65Å; K153-I168 HydrophobicContact CB-CG2 4.24Å; K153-K169 WeakPolarHBondContact CD-O 3.42Å; K153-K169 WeakPolarHBondContact CE-O 3.38Å; K153-K169 PolarHBondContact NZ-O 2.85Å
154L89.7Confident86.2Confident0 Ų052.1 Ų52.10%029%0.292CS..Hα-helixtrans-63.6-43.5176.8-179.265.4000111.6F16 F17 I132 F150 M151 Q152 A157 I168 L182F16-L154 VanDerWaalsContact CB-O 3.24Å; F16-L154 WeakPolarHBondContact CB-O 3.48Å; F16-L154 HydrophobicContact CD1-CD1 4Å; F16-L154 HydrophobicContact CD1-CG 4.09Å; F16-L154 HydrophobicContact CD2-CD1 4.05Å; F16-L154 HydrophobicContact CE1-CD1 3.94Å; F16-L154 HydrophobicContact CE1-CG 4.46Å; F16-L154 HydrophobicContact CE2-CD1 3.97Å; F16-L154 HydrophobicContact CG-CD1 4.07Å; F16-L154 HydrophobicContact CG-CG 4.18Å; F16-L154 HydrophobicContact CZ-CD1 3.93Å; F17-L154 HydrophobicContact CD1-CD2 4.14Å; F17-L154 HydrophobicContact CD1-CG 4.36Å; F17-L154 HydrophobicContact CE1-CB 4.28Å; F17-L154 HydrophobicContact CE1-CD2 3.77Å; F17-L154 HydrophobicContact CE1-CG 3.96Å; I132-L154 HydrophobicContact CB-CD2 4.47Å; I132-L154 HydrophobicContact CD1-CD1 4.26Å; I132-L154 HydrophobicContact CD1-CD2 3.65Å; I132-L154 HydrophobicContact CG1-CD1 4.49Å; I132-L154 HydrophobicContact CG1-CD2 3.87Å; I132-L154 HydrophobicContact CG2-CD2 3.72Å; F150-L154 WeakPolarHBondContact O-CB 3.26Å; F150-L154 PolarHBondContact O-N 3.04Å; M151-L154 PolarHBondContact O-N 2.9Å; M151-L154 HydrophobicContact SD-CD2 4.15Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 3.5Å; L154-A157 PolarHBondContact O-N 2.87Å; L154-I168 HydrophobicContact CD1-CD1 4.24Å; L154-I168 HydrophobicContact CD1-CG1 4.1Å; L154-L182 HydrophobicContact CD1-CD1 3.45Å; L154-L182 VanDerWaalsContact CD1-CD1 3.45Å
155R86.6Confident86.4Confident49 Ų4951.2 Ų51.219%0.18529%0.291CS..Hα-helixtrans-68.1-36179.4-169.8-178.8177.3-140.40.9112.7Y15 F17 F42 M151 Q152 A157Y15-R155 HydrophobicContact CD1-CG 3.73Å; Y15-R155 HydrophobicContact CG-CG 3.96Å; F17-R155 HydrophobicContact CE1-CB 4Å; F17-R155 HydrophobicContact CZ-CB 4.05Å; F42-R155 HydrophobicContact CE1-CB 4.16Å; M151-R155 VanDerWaalsContact O-CB 3.31Å; M151-R155 WeakPolarHBondContact O-CB 3.43Å; M151-R155 PolarHBondContact O-N 3.38Å; Q152-R155 PolarHBondContact O-N 2.71Å; R155-A157 VanDerWaalsContact C-N 3.33Å
156E85.7Confident86.6Confident134 Ų13449.2 Ų49.263%0.62627%0.272SS*.Hα-helixtrans-74.1-22.8176.6-71.6169.9-172.600112.8Q152Q152-E156 VanDerWaalsContact CG-OE1 3.22Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.13Å; Q152-E156 PolarHBondContact NE2-OE1 2.81Å; Q152-E156 WeakPolarHBondContact O-CG 3.39Å; Q152-E156 PolarHBondContact O-N 3.35Å
157A86.4Confident86.7Confident23 Ų2352.9 Ų52.919%0.1929%0.288CS..SBendtrans-72.5142.9175.800000111.5K153 L154 R155 V166 I168K153-A157 WeakPolarHBondContact O-CB 3.23Å; K153-A157 PolarHBondContact O-N 2.65Å; L154-A157 PolarHBondContact O-N 2.87Å; R155-A157 VanDerWaalsContact C-N 3.33Å; A157-V166 HydrophobicContact CB-CG1 4.02Å; A157-I168 HydrophobicContact CB-CD1 3.43Å; A157-I168 VanDerWaalsContact CB-CD1 3.43Å
158S83.8Confident86.8Confident98 Ų9853 Ų5369%0.68529%0.289SS*.PPolyproline II helixtrans-61.6139.5170.5-59.60000110.1V166S158-V166 WeakPolarHBondContact O-CG2 3.35Å
159F83Confident86.8Confident39 Ų3954.1 Ų54.117%0.17130%0.296CS..PPolyproline II helixtrans-65.7133.6170.3-169.9-105.2000110F16 L123 C125 L128 A161F16-F159 HydrophobicContact CD1-CD2 4.02Å; F16-F159 HydrophobicContact CD1-CE2 4.42Å; F16-F159 HydrophobicContact CD2-CB 4.34Å; F16-F159 AromaticContact CD2-CD2 3.91Å; F16-F159 HydrophobicContact CD2-CD2 3.91Å; F16-F159 AromaticContact CE1-CD2 3.8Å; F16-F159 HydrophobicContact CE1-CD2 3.8Å; F16-F159 AromaticContact CE1-CE2 3.9Å; F16-F159 HydrophobicContact CE1-CE2 3.9Å; F16-F159 AromaticContact CE2-CD2 3.71Å; F16-F159 HydrophobicContact CE2-CD2 3.71Å; F16-F159 HydrophobicContact CE2-CE2 4.41Å; F16-F159 HydrophobicContact CG-CD2 4.05Å; F16-F159 AromaticContact CZ-CD2 3.64Å; F16-F159 HydrophobicContact CZ-CD2 3.64Å; F16-F159 AromaticContact CZ-CE2 3.89Å; F16-F159 HydrophobicContact CZ-CE2 3.89Å; L123-F159 HydrophobicContact CB-CE1 4.44Å; L123-F159 HydrophobicContact CB-CE2 4.28Å; L123-F159 HydrophobicContact CB-CZ 4.07Å; L123-F159 HydrophobicContact CD1-CB 4.01Å; L123-F159 HydrophobicContact CD1-CD1 3.75Å; L123-F159 HydrophobicContact CD1-CD2 3.32Å; L123-F159 HydrophobicContact CD1-CE1 3.95Å; L123-F159 HydrophobicContact CD1-CE2 3.58Å; L123-F159 HydrophobicContact CD1-CG 3.42Å; L123-F159 VanDerWaalsContact CD1-CG 3.42Å; L123-F159 HydrophobicContact CD1-CZ 3.89Å; L123-F159 HydrophobicContact CD2-CD1 4.28Å; L123-F159 HydrophobicContact CD2-CE1 4.22Å; L123-F159 HydrophobicContact CG-CE1 4.42Å; L123-F159 HydrophobicContact CG-CE2 4.48Å; L123-F159 HydrophobicContact CG-CZ 4.4Å; C125-F159 HydrophobicContact CB-CZ 4.21Å; L128-F159 HydrophobicContact CD1-CE2 4.34Å; L128-F159 HydrophobicContact CD2-CE2 4.44Å; F159-A161 PolarHBondContact O-N 3.33Å
160P84.4Confident86.6Confident4 Ų451.3 Ų51.33%0.02628%0.278CS..PPolyproline II helixtrans-56.4137.817916.8-28.6000111.7L128 Q164 V166 R184L128-P160 HydrophobicContact CD1-CG 3.82Å; P160-Q164 WeakPolarHBondContact CB-O 3.4Å; P160-V166 HydrophobicContact CB-CG2 3.94Å; P160-V166 HydrophobicContact CG-CG2 4.33Å; P160-R184 HydrophobicContact CB-CB 3.77Å; P160-R184 HydrophobicContact CG-CB 3.85Å; P160-R184 WeakPolarHBondContact O-CD 3.39Å; P160-R184 PolarHBondContact O-NH1 3.03Å
161A83.9Confident86.3Confident49 Ų4957.1 Ų57.141%0.40530%0.303SS..PPolyproline II helixtrans-70.3158164.400000109.9F159 G163 Q164F159-A161 PolarHBondContact O-N 3.33Å; A161-G163 PolarHBondContact O-N 3.38Å; A161-Q164 HydrophobicContact CB-CB 4.36Å; A161-Q164 HydrophobicContact CB-CG 3.91Å; A161-Q164 VanDerWaalsContact O-CB 3.27Å; A161-Q164 WeakPolarHBondContact O-CB 3.36Å; A161-Q164 PolarHBondContact O-N 2.83Å
162P81Confident85.9Confident37 Ų3757.1 Ų57.124%0.2430%0.303CS..THydrogen-bonded Turntrans-54.2131.4179.1-25.935.4000111.9Q164 P185P162-Q164 PolarHBondContact O-N 2.95Å; P162-P185 WeakPolarHBondContact CA-O 3.28Å
163G80.3Confident85.5Confident37 Ų3756.2 Ų56.238%0.38130%0.303SS..THydrogen-bonded Turntrans75.9-0.3-17500000115.6A161 R184 P185A161-G163 PolarHBondContact O-N 3.38Å; G163-R184 VanDerWaalsContact CA-O 3.24Å; G163-R184 WeakPolarHBondContact CA-O 3.3Å; G163-R184 PolarHBondContact N-O 3.15Å; G163-P185 PolarHBondContact N-O 3.18Å
164Q85.8Confident85.1Confident118 Ų11861.9 Ų61.955%0.55133%0.331SS*.  trans-100.1159.2178.3-59.1-63.7-4700111.7P160 A161 P162 R184P160-Q164 WeakPolarHBondContact CB-O 3.4Å; A161-Q164 HydrophobicContact CB-CB 4.36Å; A161-Q164 HydrophobicContact CB-CG 3.91Å; A161-Q164 VanDerWaalsContact O-CB 3.27Å; A161-Q164 WeakPolarHBondContact O-CB 3.36Å; A161-Q164 PolarHBondContact O-N 2.83Å; P162-Q164 PolarHBondContact O-N 2.95Å; Q164-R184 PolarHBondContact O-N 3.2Å
165T88.3Confident84.6Confident64 Ų6465.2 Ų65.239%0.39335%0.354SS..EExtended strand (participates in β ladder)trans-119.2138.9178.7-59.90000110.3H181 L182 T183T165-H181 HydrophobicContact CG2-CB 3.87Å; T165-L182 CarbonylContact C-O 3.52Å; T165-L182 WeakPolarHBondContact CA-O 3.28Å; T165-T183 WeakPolarHBondContact OG1-CB 3.49Å; T165-T183 WeakPolarHBondContact OG1-CG2 3.41Å; T165-T183 PolarHBondContact OG1-OG1 3.31Å
166V89.8Confident84.5Confident29 Ų2964.1 Ų64.118%0.17636%0.358CS..EExtended strand (participates in β ladder)trans-111.2137.6170171.90000109.6A157 S158 P160 I168 L182A157-V166 HydrophobicContact CB-CG1 4.02Å; S158-V166 WeakPolarHBondContact O-CG2 3.35Å; P160-V166 HydrophobicContact CB-CG2 3.94Å; P160-V166 HydrophobicContact CG-CG2 4.33Å; V166-I168 HydrophobicContact CG1-CD1 3.8Å; V166-L182 PolarHBondContact N-O 2.78Å; V166-L182 PolarHBondContact O-N 3.09Å
167E90.6Very high84.5Confident108 Ų10862.4 Ų62.451%0.50536%0.357SS..EExtended strand (participates in β ladder)trans-102.4118.7179.2-63.6-173.5172.100110.4I179 I180 H181E167-I179 HydrophobicContact CB-CG2 4.01Å; E167-I179 HydrophobicContact CG-CG2 4.22Å; E167-I180 WeakPolarHBondContact CA-O 3.43Å; E167-H181 IonicContact OE1-CE1 3.5Å; E167-H181 PolarHBondContact OE1-CE1 3.21Å; E167-H181 VanDerWaalsContact OE1-CE1 3.25Å; E167-H181 IonicContact OE1-ND1 2.71Å
168I90Very high84.6Confident6 Ų663.6 Ų63.63%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-104.5111.8175.4-52.5-59.8000108.8F150 K153 L154 A157 V166 I180 L182F150-I168 HydrophobicContact CD2-CG2 4.13Å; F150-I168 HydrophobicContact CE2-CG2 3.94Å; K153-I168 HydrophobicContact CB-CG2 4.24Å; L154-I168 HydrophobicContact CD1-CD1 4.24Å; L154-I168 HydrophobicContact CD1-CG1 4.1Å; A157-I168 HydrophobicContact CB-CD1 3.43Å; A157-I168 VanDerWaalsContact CB-CD1 3.43Å; V166-I168 HydrophobicContact CG1-CD1 3.8Å; I168-I180 HydrophobicContact CB-CB 4.34Å; I168-I180 PolarHBondContact N-O 2.88Å; I168-I180 PolarHBondContact O-N 3.11Å; I168-L182 HydrophobicContact CG1-CD1 3.98Å
169K87.3Confident84.9Confident119 Ų11962.9 Ų62.952%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-86.2111.1176.2-63.6-175.5-179.9177.10110.1K153 T177 E178 I179K153-K169 WeakPolarHBondContact CD-O 3.42Å; K153-K169 WeakPolarHBondContact CE-O 3.38Å; K153-K169 PolarHBondContact NZ-O 2.85Å; K169-T177 HydrophobicContact CB-CG2 4.24Å; K169-E178 WeakPolarHBondContact CA-O 3.4Å; K169-I179 HydrophobicContact CG-CG1 4.35Å
170S85.2Confident85.2Confident5 Ų561.4 Ų61.44%0.03534%0.34CS..EExtended strand (participates in β ladder)trans-122.3136.3-178.7-177.50000111R139 E178R139-S170 PolarHBondContact NE-OG 3.34Å; R139-S170 PolarHBondContact NH2-OG 3.2Å; S170-E178 PolarHBondContact N-O 3Å; S170-E178 PolarHBondContact O-N 3.07Å
171F83.1Confident85.5Confident122 Ų12265.1 Ų65.154%0.53536%0.357SS..EExtended strand (participates in β ladder)trans-89.3134.8173.6-179.7-98.2000109.9P173 G176F171-P173 HydrophobicContact CE1-CG 4.49Å; F171-G176 WeakPolarHBondContact CA-O 3.33Å
172I82.6Confident85.7Confident0 Ų062.8 Ų62.80%034%0.338CS..EExtended strand (participates in β ladder)trans-122.7131.1169.9-59.5-175.1000107.4K138 R139 I142 E174 S175 G176 E178K138-I172 HydrophobicContact CD-CD1 4.34Å; R139-I172 HydrophobicContact CG-CD1 4.35Å; I142-I172 HydrophobicContact CD1-CG2 3.28Å; I172-E174 PolarHBondContact O-N 3.5Å; I172-S175 PolarHBondContact O-N 3.17Å; I172-G176 PolarHBondContact N-O 2.96Å; I172-G176 PolarHBondContact O-N 2.93Å; I172-E178 WeakPolarHBondContact CD1-OE2 3.48Å
173P80.7Confident85.8Confident48 Ų4864.7 Ų64.731%0.31235%0.349SS..THydrogen-bonded Turntrans-52.3141.3172.9-24.534.6000110.9L146 F171 S175L146-P173 HydrophobicContact CD1-CG 4.05Å; L146-P173 HydrophobicContact CD2-CG 3.95Å; F171-P173 HydrophobicContact CE1-CG 4.49Å; P173-S175 PolarHBondContact O-N 2.9Å
174E78.1Confident86Confident210 Ų21064.3 Ų64.398%0.98134%0.336SS*.THydrogen-bonded Turntrans69-32.9-177.9-50.8177.717600115.9I172I172-E174 PolarHBondContact O-N 3.5Å
175S79.9Confident85.5Confident71 Ų7161.7 Ų61.750%0.49733%0.329SS..THydrogen-bonded Turntrans-91.8-16.7178.4-47.30000114.6I172 P173I172-S175 PolarHBondContact O-N 3.17Å; P173-S175 PolarHBondContact O-N 2.9Å
176G85.1Confident84.6Confident26 Ų2664.9 Ų64.927%0.26834%0.343SS..EExtended strand (participates in β ladder)trans83.5-153.318000000113.7F171 I172F171-G176 WeakPolarHBondContact CA-O 3.33Å; I172-G176 PolarHBondContact N-O 2.96Å; I172-G176 PolarHBondContact O-N 2.93Å
177T86.3Confident83.7Confident97 Ų9766.9 Ų66.960%0.59535%0.353SS*.EExtended strand (participates in β ladder)trans-89.1117.1178.5-600000110.4K169K169-T177 HydrophobicContact CB-CG2 4.24Å
178E88.2Confident82.4Confident48 Ų4864.3 Ų64.322%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-97.5147.5173.2-62.1-172.7151.700110.9K138 K169 S170 I172K138-E178 IonicContact NZ-OE1 2.64Å; K138-E178 PolarHBondContact NZ-OE1 3.34Å; K138-E178 IonicContact NZ-OE2 3.62Å; K138-E178 PolarHBondContact NZ-OE2 3.26Å; K169-E178 WeakPolarHBondContact CA-O 3.4Å; S170-E178 PolarHBondContact N-O 3Å; S170-E178 PolarHBondContact O-N 3.07Å; I172-E178 WeakPolarHBondContact CD1-OE2 3.48Å
179I88.9Confident81.4Confident84 Ų8466 Ų6643%0.43135%0.353SS..EExtended strand (participates in β ladder)trans-109.9112.6175.2-53.2-177.8000108E167 K169E167-I179 HydrophobicContact CB-CG2 4.01Å; E167-I179 HydrophobicContact CG-CG2 4.22Å; K169-I179 HydrophobicContact CG-CG1 4.35Å
180I89.8Confident80.8Confident7 Ų761.1 Ų61.14%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-97120.6178.5-59.3157.9000108.2E135 F150 E167 I168 L182E135-I180 HydrophobicContact CB-CD1 4.28Å; E135-I180 HydrophobicContact CG-CD1 3.76Å; E135-I180 HydrophobicContact CG-CG1 4.16Å; E135-I180 HydrophobicContact CG-CG2 4.11Å; E135-I180 WeakPolarHBondContact OE2-CD1 3.27Å; F150-I180 HydrophobicContact CD2-CD1 4.12Å; F150-I180 HydrophobicContact CE2-CD1 3.45Å; F150-I180 VanDerWaalsContact CE2-CD1 3.45Å; F150-I180 HydrophobicContact CZ-CD1 4.1Å; E167-I180 WeakPolarHBondContact CA-O 3.43Å; I168-I180 HydrophobicContact CB-CB 4.34Å; I168-I180 PolarHBondContact N-O 2.88Å; I168-I180 PolarHBondContact O-N 3.11Å; I180-L182 HydrophobicContact CG2-CD2 3.9Å; I180-L182 HydrophobicContact CG2-CG 4.18Å
181H90.3Very high80.3Confident82 Ų8261.6 Ų61.638%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-93.3114.3176.8-62-86.8000110.5K131 T165 E167K131-H181 VanDerWaalsContact CE-O 3.29Å; K131-H181 WeakPolarHBondContact CE-O 3.11Å; K131-H181 PolarHBondContact NZ-O 3.11Å; T165-H181 HydrophobicContact CG2-CB 3.87Å; E167-H181 IonicContact OE1-CE1 3.5Å; E167-H181 PolarHBondContact OE1-CE1 3.21Å; E167-H181 VanDerWaalsContact OE1-CE1 3.25Å; E167-H181 IonicContact OE1-ND1 2.71Å
182L87.8Confident79.9Confident1 Ų158 Ų581%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-106.7105.2175.7-60.4179.3000109F16 L128 K131 I132 L154 T165 V166 I168 I180F16-L182 HydrophobicContact CE2-CD1 4.45Å; F16-L182 HydrophobicContact CZ-CD1 3.98Å; L128-L182 HydrophobicContact CD1-CB 4.15Å; L128-L182 HydrophobicContact CG-CB 4.33Å; K131-L182 HydrophobicContact CB-CD2 4.35Å; K131-L182 HydrophobicContact CD-CD2 3.98Å; K131-L182 HydrophobicContact CG-CD2 4.05Å; I132-L182 HydrophobicContact CD1-CD1 4.45Å; I132-L182 HydrophobicContact CG1-CD1 4.17Å; I132-L182 HydrophobicContact CG1-CD2 4.33Å; L154-L182 HydrophobicContact CD1-CD1 3.45Å; L154-L182 VanDerWaalsContact CD1-CD1 3.45Å; T165-L182 CarbonylContact C-O 3.52Å; T165-L182 WeakPolarHBondContact CA-O 3.28Å; V166-L182 PolarHBondContact N-O 2.78Å; V166-L182 PolarHBondContact O-N 3.09Å; I168-L182 HydrophobicContact CG1-CD1 3.98Å; I180-L182 HydrophobicContact CG2-CD2 3.9Å; I180-L182 HydrophobicContact CG2-CG 4.18Å
183T84.1Confident80Confident77 Ų7758.5 Ų58.547%0.47232%0.321SS..EExtended strand (participates in β ladder)trans-102.2130.1-178-53.50000110.2T165T165-T183 WeakPolarHBondContact OG1-CB 3.49Å; T165-T183 WeakPolarHBondContact OG1-CG2 3.41Å; T165-T183 PolarHBondContact OG1-OG1 3.31Å
184R84.1Confident80.3Confident29 Ų2957.8 Ų57.811%0.10932%0.315CS..PPolyproline II helixtrans-88.8129.4171-172.3173.1179.5-168.3-1.9109.5P160 G163 Q164 E191P160-R184 HydrophobicContact CB-CB 3.77Å; P160-R184 HydrophobicContact CG-CB 3.85Å; P160-R184 WeakPolarHBondContact O-CD 3.39Å; P160-R184 PolarHBondContact O-NH1 3.03Å; G163-R184 VanDerWaalsContact CA-O 3.24Å; G163-R184 WeakPolarHBondContact CA-O 3.3Å; G163-R184 PolarHBondContact N-O 3.15Å; Q164-R184 PolarHBondContact O-N 3.2Å; R184-E191 WeakPolarHBondContact CD-OE1 3.41Å; R184-E191 WeakPolarHBondContact CG-OE1 3.09Å; R184-E191 IonicContact CZ-OE1 3.38Å; R184-E191 IonicContact CZ-OE2 2.73Å; R184-E191 IonicContact NE-OE1 2.7Å; R184-E191 PolarHBondContact NE-OE1 2.93Å; R184-E191 IonicContact NE-OE2 3.61Å; R184-E191 PolarHBondContact NE-OE2 3.13Å; R184-E191 IonicContact NH2-OE1 3.84Å; R184-E191 PolarHBondContact NH2-OE1 2.81Å; R184-E191 IonicContact NH2-OE2 3.38Å; R184-E191 PolarHBondContact NH2-OE2 3.12Å
185P76.3Confident81Confident62 Ų6247.8 Ų47.840%0.40327%0.268SS..PPolyproline II helixtrans-52.2152.5173.5-26.634.1000112.6P162 G163 E191P162-P185 WeakPolarHBondContact CA-O 3.28Å; G163-P185 PolarHBondContact N-O 3.18Å; P185-E191 HydrophobicContact CB-CG 4.3Å; P185-E191 HydrophobicContact CG-CG 4.22Å
186L69.4Low81.5Confident132 Ų13245.8 Ų45.869%0.69125%0.254SS*.SBendtrans-68.3-39.8177.4-175.266.6000111.5S188L186-S188 PolarHBondContact O-N 3.47Å; L186-S188 VanDerWaalsContact O-N 3.11Å
187D69.8Low81.9Confident71 Ų7145.3 Ų45.338%0.3825%0.246SC..  trans-83.586.5-179.9-72.4-44.6000111.2W189 L190D187-W189 PolarHBondContact O-N 2.99Å; D187-L190 PolarHBondContact O-N 3.22Å; D187-L190 VanDerWaalsContact O-N 3.08Å
188S64.6Low82.3Confident54 Ų5440.8 Ų40.838%0.37822%0.218SC..G310 helixtrans-63.5-17.7-17061.30000116.8L186 L190 E191L186-S188 PolarHBondContact O-N 3.47Å; L186-S188 VanDerWaalsContact O-N 3.11Å; S188-L190 VanDerWaalsContact C-N 3.35Å; S188-E191 VanDerWaalsContact CA-CD 3.48Å; S188-E191 WeakPolarHBondContact CA-OE1 3.3Å; S188-E191 WeakPolarHBondContact CB-OE1 3.34Å; S188-E191 WeakPolarHBondContact O-CG 3.2Å
189W69.1Low82.6Confident41 Ų4140.2 Ų40.216%0.15522%0.215CC..G310 helixtrans-75.4-25.2178.2117.166.5000112.6D187 H192 Y242 S341 L345 I411D187-W189 PolarHBondContact O-N 2.99Å; W189-H192 PolarHBondContact O-CE1 2.86Å; W189-Y242 HydrophobicContact CD2-CD1 4.33Å; W189-Y242 HydrophobicContact CD2-CG 4.44Å; W189-Y242 HydrophobicContact CG-CD2 4.37Å; W189-Y242 HydrophobicContact CG-CG 4.47Å; W189-Y242 HydrophobicContact CH2-CD1 4.4Å; W189-Y242 HydrophobicContact CZ2-CD1 4.01Å; W189-Y242 HydrophobicContact CZ2-CG 4.49Å; W189-S341 VanDerWaalsContact CH2-CB 3.48Å; W189-S341 WeakPolarHBondContact CZ2-OG 3.47Å; W189-L345 HydrophobicContact CH2-CD2 4.24Å; W189-I411 HydrophobicContact CE3-CD1 3.9Å; W189-I411 HydrophobicContact CZ3-CD1 4.3Å; W189-I411 HydrophobicContact CZ3-CG2 4.36Å
190L74.6Confident82.8Confident16 Ų1642.2 Ų42.28%0.08423%0.227CC..G310 helixtrans-101.37.5-173.9-64.6172.5000113.7D187 S188 H192 V193 F195 N337 S341D187-L190 PolarHBondContact O-N 3.22Å; D187-L190 VanDerWaalsContact O-N 3.08Å; S188-L190 VanDerWaalsContact C-N 3.35Å; L190-H192 PolarHBondContact O-N 3.21Å; L190-H192 VanDerWaalsContact O-N 3.11Å; L190-V193 HydrophobicContact CD2-CB 4.14Å; L190-V193 HydrophobicContact CD2-CG1 4.38Å; L190-V193 HydrophobicContact CD2-CG2 4.24Å; L190-V193 PolarHBondContact O-N 2.78Å; L190-V193 VanDerWaalsContact O-N 3.1Å; L190-F195 HydrophobicContact CD2-CE2 3.82Å; L190-N337 HydrophobicContact CD1-CB 4.21Å; L190-S341 VanDerWaalsContact CD1-OG 3.23Å; L190-S341 WeakPolarHBondContact CD1-OG 3.38Å; L190-S341 VanDerWaalsContact CD2-OG 3.23Å; L190-S341 WeakPolarHBondContact CD2-OG 3.44Å
191E74.8Confident83.1Confident15 Ų1542.9 Ų42.97%0.0723%0.232CC..THydrogen-bonded Turntrans-61.1-23.7-174.1-72.7174.7-179.600114.8A124 C125 F126 R184 P185 S188A124-E191 WeakPolarHBondContact O-CB 3.22Å; C125-E191 CarbonylContact C-O 3.52Å; C125-E191 WeakPolarHBondContact CA-O 3.43Å; C125-E191 HydrophobicContact CB-CB 4.28Å; F126-E191 PolarHBondContact N-O 3.39Å; R184-E191 WeakPolarHBondContact CD-OE1 3.41Å; R184-E191 WeakPolarHBondContact CG-OE1 3.09Å; R184-E191 IonicContact CZ-OE1 3.38Å; R184-E191 IonicContact CZ-OE2 2.73Å; R184-E191 IonicContact NE-OE1 2.7Å; R184-E191 PolarHBondContact NE-OE1 2.93Å; R184-E191 IonicContact NE-OE2 3.61Å; R184-E191 PolarHBondContact NE-OE2 3.13Å; R184-E191 IonicContact NH2-OE1 3.84Å; R184-E191 PolarHBondContact NH2-OE1 2.81Å; R184-E191 IonicContact NH2-OE2 3.38Å; R184-E191 PolarHBondContact NH2-OE2 3.12Å; P185-E191 HydrophobicContact CB-CG 4.3Å; P185-E191 HydrophobicContact CG-CG 4.22Å; S188-E191 VanDerWaalsContact CA-CD 3.48Å; S188-E191 WeakPolarHBondContact CA-OE1 3.3Å; S188-E191 WeakPolarHBondContact CB-OE1 3.34Å; S188-E191 WeakPolarHBondContact O-CG 3.2Å
192H74.6Confident83.5Confident48 Ų4839.3 Ų39.322%0.22222%0.215CC..THydrogen-bonded Turntrans-114.211-178.660.5-77000112.7A124 W189 L190 H235A124-H192 HydrophobicContact CB-CB 3.89Å; W189-H192 PolarHBondContact O-CE1 2.86Å; L190-H192 PolarHBondContact O-N 3.21Å; L190-H192 VanDerWaalsContact O-N 3.11Å; H192-H235 AromaticContact CD2-ND1 3.86Å
193V83.9Confident83.9Confident9 Ų942.5 Ų42.56%0.05524%0.235CC..  trans-114.4132.5-170.4-176.20000110L190 F195 A236 A239 N337L190-V193 HydrophobicContact CD2-CB 4.14Å; L190-V193 HydrophobicContact CD2-CG1 4.38Å; L190-V193 HydrophobicContact CD2-CG2 4.24Å; L190-V193 PolarHBondContact O-N 2.78Å; L190-V193 VanDerWaalsContact O-N 3.1Å; V193-F195 HydrophobicContact CG1-CD1 4.23Å; V193-F195 HydrophobicContact CG1-CD2 3.58Å; V193-F195 HydrophobicContact CG1-CE1 4.02Å; V193-F195 HydrophobicContact CG1-CE2 3.43Å; V193-F195 VanDerWaalsContact CG1-CE2 3.43Å; V193-F195 HydrophobicContact CG1-CG 4.04Å; V193-F195 HydrophobicContact CG1-CZ 3.66Å; V193-A236 HydrophobicContact CG1-CB 4.21Å; V193-A239 HydrophobicContact CB-CB 4.36Å; V193-A239 HydrophobicContact CG1-CB 3.98Å; V193-A239 HydrophobicContact CG2-CB 3.45Å; V193-A239 VanDerWaalsContact CG2-CB 3.45Å; V193-N337 PolarHBondContact O-ND2 3.18Å
194N87.3Confident84.4Confident34 Ų3440 Ų4018%0.18222%0.219CC..  trans-126.898.3169.2-177.96.4000108.6C196 T197 Q232N194-C196 PolarHBondContact O-N 2.82Å; N194-C196 VanDerWaalsContact OD1-CB 3.26Å; N194-C196 WeakPolarHBondContact OD1-CB 3.35Å; N194-C196 PolarHBondContact OD1-N 2.94Å; N194-C196 VanDerWaalsContact OD1-N 3.09Å; N194-T197 PolarHBondContact ND2-OG1 3.41Å; N194-Q232 PolarHBondContact ND2-OE1 3.45Å
195F92Very high85Confident0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-73-17.1178.6-74.1-67.9000112.8L190 V193 T197 L198 F199 A236 A239 L240 V336 N337 V340 S341L190-F195 HydrophobicContact CD2-CE2 3.82Å; V193-F195 HydrophobicContact CG1-CD1 4.23Å; V193-F195 HydrophobicContact CG1-CD2 3.58Å; V193-F195 HydrophobicContact CG1-CE1 4.02Å; V193-F195 HydrophobicContact CG1-CE2 3.43Å; V193-F195 VanDerWaalsContact CG1-CE2 3.43Å; V193-F195 HydrophobicContact CG1-CG 4.04Å; V193-F195 HydrophobicContact CG1-CZ 3.66Å; F195-T197 VanDerWaalsContact C-N 3.33Å; F195-T197 PolarHBondContact O-N 2.96Å; F195-L198 HydrophobicContact CD1-CD2 3.9Å; F195-L198 HydrophobicContact CE1-CD2 4.39Å; F195-L198 WeakPolarHBondContact O-CB 3.4Å; F195-L198 PolarHBondContact O-N 3.42Å; F195-F199 HydrophobicContact CB-CD2 4.42Å; F195-F199 HydrophobicContact CB-CE2 4.42Å; F195-F199 VanDerWaalsContact O-CD2 3.23Å; F195-F199 WeakPolarHBondContact O-CD2 3.22Å; F195-F199 PolarHBondContact O-N 3.46Å; F195-F199 VanDerWaalsContact O-N 3.13Å; F195-A236 HydrophobicContact CD1-CB 3.77Å; F195-A236 HydrophobicContact CE1-CB 3.89Å; F195-A236 VanDerWaalsContact CE1-O 3.28Å; F195-A236 WeakPolarHBondContact CE1-O 3.36Å; F195-A239 HydrophobicContact CZ-CB 3.95Å; F195-L240 HydrophobicContact CD1-CD2 4.18Å; F195-L240 HydrophobicContact CE1-CD2 3.29Å; F195-L240 HydrophobicContact CE1-CG 3.86Å; F195-L240 HydrophobicContact CZ-CD2 3.72Å; F195-L240 HydrophobicContact CZ-CG 4.43Å; F195-V336 HydrophobicContact CB-CG1 4.1Å; F195-N337 HydrophobicContact CD2-CB 4.18Å; F195-N337 WeakPolarHBondContact CD2-OD1 3.47Å; F195-N337 PolarHBondContact N-OD1 2.92Å; F195-V340 HydrophobicContact CB-CB 4.39Å; F195-V340 HydrophobicContact CB-CG1 4.44Å; F195-V340 HydrophobicContact CB-CG2 4.17Å; F195-V340 HydrophobicContact CD1-CB 4.42Å; F195-V340 HydrophobicContact CD1-CG1 3.67Å; F195-V340 HydrophobicContact CD2-CB 4.08Å; F195-V340 HydrophobicContact CD2-CG1 4.09Å; F195-V340 HydrophobicContact CE1-CG1 3.82Å; F195-V340 HydrophobicContact CE2-CB 4.38Å; F195-V340 HydrophobicContact CE2-CG1 4.16Å; F195-V340 HydrophobicContact CG-CB 4.05Å; F195-V340 HydrophobicContact CG-CG1 3.81Å; F195-V340 HydrophobicContact CG-CG2 4.35Å; F195-V340 HydrophobicContact CZ-CG1 4.03Å; F195-S341 WeakPolarHBondContact CE2-OG 3.48Å
196C91.7Very high86.1Confident29 Ų2942.1 Ų42.120%0.19622%0.224CC..Hα-helixtrans-58.3-47.7175.8-60.20000110.7N194 L198 F199 D200N194-C196 PolarHBondContact O-N 2.82Å; N194-C196 VanDerWaalsContact OD1-CB 3.26Å; N194-C196 WeakPolarHBondContact OD1-CB 3.35Å; N194-C196 PolarHBondContact OD1-N 2.94Å; N194-C196 VanDerWaalsContact OD1-N 3.09Å; C196-L198 VanDerWaalsContact C-N 3.25Å; C196-L198 PolarHBondContact O-N 3Å; C196-F199 CarbonylContact O-C 3.58Å; C196-F199 PolarHBondContact O-N 3.22Å; C196-D200 PolarHBondContact O-N 3.09Å
197T92.6Very high87.4Confident16 Ų1635.9 Ų35.910%0.09819%0.192CC..Hα-helixtrans-62.2-31.9179-54.80000113N194 F195 C201 T229 Q232 V233N194-T197 PolarHBondContact ND2-OG1 3.41Å; F195-T197 VanDerWaalsContact C-N 3.33Å; F195-T197 PolarHBondContact O-N 2.96Å; T197-C201 PolarHBondContact O-N 2.81Å; T197-C201 PolarHBondContact O-SG 3.38Å; T197-T229 HydrophobicContact CG2-CG2 4.38Å; T197-Q232 HydrophobicContact CG2-CB 3.93Å; T197-Q232 PolarHBondContact OG1-OE1 3.31Å; T197-V233 HydrophobicContact CG2-CG2 4.24Å
198L95.7Very high88.8Confident1 Ų132.9 Ų32.91%0.00518%0.176CC..Hα-helixtrans-62.6-47.7172.2-179.969.6000111.3F195 C196 C201 L202 V207 V233 A236 V237 L240F195-L198 HydrophobicContact CD1-CD2 3.9Å; F195-L198 HydrophobicContact CE1-CD2 4.39Å; F195-L198 WeakPolarHBondContact O-CB 3.4Å; F195-L198 PolarHBondContact O-N 3.42Å; C196-L198 VanDerWaalsContact C-N 3.25Å; C196-L198 PolarHBondContact O-N 3Å; L198-C201 PolarHBondContact O-N 3.02Å; L198-L202 HydrophobicContact CD1-CD1 3.82Å; L198-L202 PolarHBondContact O-N 3Å; L198-V207 HydrophobicContact CD1-CG2 4.25Å; L198-V207 HydrophobicContact CD2-CG1 3.95Å; L198-V207 HydrophobicContact CD2-CG2 3.97Å; L198-V207 HydrophobicContact CG-CG2 3.85Å; L198-V233 HydrophobicContact CD1-CG1 3.81Å; L198-A236 HydrophobicContact CB-CB 4.08Å; L198-A236 HydrophobicContact CD2-CB 4.24Å; L198-V237 HydrophobicContact CD1-CG2 3.97Å; L198-L240 HydrophobicContact CD2-CD1 4.25Å
199F94.4Very high90.4Very high37 Ų3732.1 Ų32.116%0.16217%0.166CC..Hα-helixtrans-80.5-15.3-178.5-71.6-70.9000114.1F195 C196 N204 V207 L322 V340F195-F199 HydrophobicContact CB-CD2 4.42Å; F195-F199 HydrophobicContact CB-CE2 4.42Å; F195-F199 VanDerWaalsContact O-CD2 3.23Å; F195-F199 WeakPolarHBondContact O-CD2 3.22Å; F195-F199 PolarHBondContact O-N 3.46Å; F195-F199 VanDerWaalsContact O-N 3.13Å; C196-F199 CarbonylContact O-C 3.58Å; C196-F199 PolarHBondContact O-N 3.22Å; F199-N204 VanDerWaalsContact CE1-OD1 3.26Å; F199-N204 WeakPolarHBondContact CE1-OD1 3.28Å; F199-V207 HydrophobicContact CD1-CG2 4.14Å; F199-V207 HydrophobicContact CE1-CB 4.12Å; F199-V207 HydrophobicContact CE1-CG1 4.35Å; F199-V207 HydrophobicContact CE1-CG2 3.66Å; F199-V207 HydrophobicContact CZ-CB 4.39Å; F199-V207 HydrophobicContact CZ-CG1 4.12Å; F199-V207 HydrophobicContact CZ-CG2 4.1Å; F199-L322 HydrophobicContact CE1-CD1 4.28Å; F199-L322 HydrophobicContact CZ-CD1 4.13Å; F199-L322 HydrophobicContact CZ-CD2 4.07Å; F199-V340 HydrophobicContact CD2-CG2 4.21Å; F199-V340 HydrophobicContact CE2-CB 4.38Å; F199-V340 HydrophobicContact CE2-CG1 4Å; F199-V340 HydrophobicContact CE2-CG2 3.43Å; F199-V340 VanDerWaalsContact CE2-CG2 3.43Å; F199-V340 HydrophobicContact CZ-CG1 4.4Å; F199-V340 HydrophobicContact CZ-CG2 4.14Å
200D93.4Very high91.8Very high126 Ų12630.2 Ų30.267%0.67416%0.159SC*.Hα-helixtrans-70-24.9165.8-66.2-26.6000111.2C196C196-D200 PolarHBondContact O-N 3.09Å
201C95.9Very high92.9Very high21 Ų2129.5 Ų29.514%0.14216%0.155CC..Hα-helixtrans-101.4-30.9-177.7-59.90000113.9T197 L198 T229 L291 K295T197-C201 PolarHBondContact O-N 2.81Å; T197-C201 PolarHBondContact O-SG 3.38Å; L198-C201 PolarHBondContact O-N 3.02Å; C201-T229 VanDerWaalsContact SG-CG2 3.59Å; C201-L291 HydrophobicContact CB-CB 4.19Å; C201-L291 HydrophobicContact CB-CD2 3.85Å; C201-K295 PolarHBondContact O-NZ 3.47Å
202L96.9Very high94Very high6 Ų628.8 Ų28.83%0.03115%0.152CC..  trans-134143.6-168.5-60.8178.7000112.1L198 E206 V207 V210 V289 L291 T298L198-L202 HydrophobicContact CD1-CD1 3.82Å; L198-L202 PolarHBondContact O-N 3Å; L202-E206 VanDerWaalsContact CA-OE2 3.3Å; L202-E206 WeakPolarHBondContact CA-OE2 3.31Å; L202-E206 HydrophobicContact CB-CB 4.09Å; L202-E206 HydrophobicContact CD2-CB 4.23Å; L202-V207 HydrophobicContact CB-CG2 3.69Å; L202-V207 HydrophobicContact CD1-CG2 4.18Å; L202-V210 HydrophobicContact CD1-CG2 4.13Å; L202-V289 HydrophobicContact CD1-CG1 4.48Å; L202-V289 HydrophobicContact CD2-CG1 3.94Å; L202-L291 HydrophobicContact CD1-CD2 4.16Å; L202-L291 HydrophobicContact CD2-CD2 3.98Å; L202-L291 HydrophobicContact CG-CD2 4Å; L202-T298 HydrophobicContact CD2-CG2 3.38Å
203T96.1Very high95.2Very high68 Ų6826.5 Ų26.542%0.41714%0.141SC..  trans-72170.2170.785.40000111.8E205 E206 V207T203-E205 VanDerWaalsContact C-N 3.27Å; T203-E205 PolarHBondContact O-N 3.09Å; T203-E205 PolarHBondContact OG1-N 3.44Å; T203-E205 PolarHBondContact OG1-OE2 3.27Å; T203-E206 HydrophobicContact CG2-CG 4.38Å; T203-E206 PolarHBondContact N-OE2 3.14Å; T203-E206 PolarHBondContact O-N 2.99Å; T203-E206 WeakPolarHBondContact OG1-CG 3.34Å; T203-E206 PolarHBondContact OG1-N 3.3Å; T203-V207 WeakPolarHBondContact O-CG2 3.36Å; T203-V207 PolarHBondContact O-N 3.28Å
204N96.4Very high95.9Very high26 Ų2626 Ų2614%0.13914%0.139CC..Hα-helixtrans-58.4-41.1176.4-73.4-21.5000112.8F199 L208 L319 L322 R325F199-N204 VanDerWaalsContact CE1-OD1 3.26Å; F199-N204 WeakPolarHBondContact CE1-OD1 3.28Å; N204-L208 PolarHBondContact O-N 3.44Å; N204-L208 VanDerWaalsContact O-N 3.1Å; N204-L319 HydrophobicContact CB-CD2 3.58Å; N204-L322 HydrophobicContact CB-CD1 4.26Å; N204-R325 PolarHBondContact OD1-NH1 3.24Å; N204-R325 PolarHBondContact OD1-NH2 3.46Å
205E96.7Very high96.4Very high100 Ų10024.4 Ų24.447%0.46713%0.13SC..Hα-helixtrans-68-43.9179.3-61.470-151.800110.4T203 V207 L208 Q209 L319T203-E205 VanDerWaalsContact C-N 3.27Å; T203-E205 PolarHBondContact O-N 3.09Å; T203-E205 PolarHBondContact OG1-N 3.44Å; T203-E205 PolarHBondContact OG1-OE2 3.27Å; E205-V207 PolarHBondContact O-N 3.28Å; E205-L208 WeakPolarHBondContact O-CB 3.06Å; E205-L208 PolarHBondContact O-N 3.22Å; E205-L208 VanDerWaalsContact O-N 3.11Å; E205-Q209 PolarHBondContact O-N 3.45Å; E205-L319 HydrophobicContact CG-CD2 4.27Å
206E97.6Very high96.6Very high35 Ų3525.9 Ų25.916%0.16414%0.137CC..Hα-helixtrans-64.8-39.9178.1-62.6177.7148.300111.6L202 T203 L208 Q209 V210 T298 F299L202-E206 VanDerWaalsContact CA-OE2 3.3Å; L202-E206 WeakPolarHBondContact CA-OE2 3.31Å; L202-E206 HydrophobicContact CB-CB 4.09Å; L202-E206 HydrophobicContact CD2-CB 4.23Å; T203-E206 HydrophobicContact CG2-CG 4.38Å; T203-E206 PolarHBondContact N-OE2 3.14Å; T203-E206 PolarHBondContact O-N 2.99Å; T203-E206 WeakPolarHBondContact OG1-CG 3.34Å; T203-E206 PolarHBondContact OG1-N 3.3Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.2Å; E206-Q209 PolarHBondContact O-N 2.95Å; E206-V210 WeakPolarHBondContact O-CG2 3.4Å; E206-V210 PolarHBondContact O-N 3.22Å; E206-T298 HydrophobicContact CB-CG2 4.48Å; E206-T298 VanDerWaalsContact CD-OG1 3.29Å; E206-T298 HydrophobicContact CG-CG2 4.31Å; E206-T298 WeakPolarHBondContact OE1-CB 3.45Å; E206-T298 PolarHBondContact OE1-OG1 3.37Å; E206-T298 PolarHBondContact OE2-OG1 3.44Å; E206-F299 HydrophobicContact CB-CE2 4.1Å; E206-F299 HydrophobicContact CB-CZ 3.88Å; E206-F299 HydrophobicContact CG-CE2 3.86Å; E206-F299 HydrophobicContact CG-CZ 4.18Å
207V98.3Very high96.9Very high1 Ų125.6 Ų25.61%0.00613%0.133CC..Hα-helixtrans-61.9-37.8172.9172.30000111.2L198 F199 L202 T203 E205 V210 F211 L240 F344L198-V207 HydrophobicContact CD1-CG2 4.25Å; L198-V207 HydrophobicContact CD2-CG1 3.95Å; L198-V207 HydrophobicContact CD2-CG2 3.97Å; L198-V207 HydrophobicContact CG-CG2 3.85Å; F199-V207 HydrophobicContact CD1-CG2 4.14Å; F199-V207 HydrophobicContact CE1-CB 4.12Å; F199-V207 HydrophobicContact CE1-CG1 4.35Å; F199-V207 HydrophobicContact CE1-CG2 3.66Å; F199-V207 HydrophobicContact CZ-CB 4.39Å; F199-V207 HydrophobicContact CZ-CG1 4.12Å; F199-V207 HydrophobicContact CZ-CG2 4.1Å; L202-V207 HydrophobicContact CB-CG2 3.69Å; L202-V207 HydrophobicContact CD1-CG2 4.18Å; T203-V207 WeakPolarHBondContact O-CG2 3.36Å; T203-V207 PolarHBondContact O-N 3.28Å; E205-V207 PolarHBondContact O-N 3.28Å; V207-V210 PolarHBondContact O-N 2.88Å; V207-F211 VanDerWaalsContact O-CB 3.3Å; V207-F211 WeakPolarHBondContact O-CB 3.37Å; V207-F211 PolarHBondContact O-N 3.38Å; V207-L240 HydrophobicContact CG1-CD1 3.86Å; V207-F344 HydrophobicContact CG1-CE2 4.49Å; V207-F344 HydrophobicContact CG1-CZ 3.91Å
208L97.8Very high97.1Very high8 Ų826.5 Ų26.54%0.04214%0.135CC..Hα-helixtrans-64.6-39.9174.5-83.1-175.7000112.7N204 E205 E206 F211 A212 L310 Q315 I318 L319 F344N204-L208 PolarHBondContact O-N 3.44Å; N204-L208 VanDerWaalsContact O-N 3.1Å; E205-L208 WeakPolarHBondContact O-CB 3.06Å; E205-L208 PolarHBondContact O-N 3.22Å; E205-L208 VanDerWaalsContact O-N 3.11Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 3.2Å; L208-F211 PolarHBondContact O-N 3.3Å; L208-A212 VanDerWaalsContact O-CB 3.27Å; L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 3.18Å; L208-L310 HydrophobicContact CD2-CD1 4.08Å; L208-Q315 HydrophobicContact CD1-CB 4.07Å; L208-I318 HydrophobicContact CD2-CB 4.06Å; L208-I318 HydrophobicContact CD2-CD1 3.71Å; L208-I318 HydrophobicContact CD2-CG2 3.7Å; L208-I318 HydrophobicContact CG-CG2 4.37Å; L208-L319 HydrophobicContact CD1-CD1 4.16Å; L208-L319 HydrophobicContact CD1-CD2 3.56Å; L208-L319 HydrophobicContact CD1-CG 3.59Å; L208-L319 HydrophobicContact CG-CD2 4.28Å; L208-F344 HydrophobicContact CD2-CE1 4.11Å; L208-F344 HydrophobicContact CD2-CZ 4.27Å
209Q98.1Very high97.3Very high37 Ų3728.7 Ų28.717%0.17314%0.143CC..Hα-helixtrans-65.3-43.1176.7-70.1170.8-44.400111.4E205 E206 A212 A213 F299 E306 D307E205-Q209 PolarHBondContact O-N 3.45Å; E206-Q209 PolarHBondContact O-N 2.95Å; Q209-A212 WeakPolarHBondContact O-CB 3.47Å; Q209-A212 PolarHBondContact O-N 3.35Å; Q209-A213 PolarHBondContact O-N 3.41Å; Q209-F299 HydrophobicContact CB-CE1 4.49Å; Q209-F299 HydrophobicContact CB-CZ 3.93Å; Q209-F299 VanDerWaalsContact OE1-CZ 3.23Å; Q209-E306 HydrophobicContact CB-CB 4.16Å; Q209-E306 HydrophobicContact CG-CB 4.23Å; Q209-D307 VanDerWaalsContact CG-OD1 3.32Å; Q209-D307 WeakPolarHBondContact CG-OD1 3.33Å; Q209-D307 PolarHBondContact NE2-OD1 2.96Å; Q209-D307 PolarHBondContact NE2-OD2 3.09Å
210V98.6Very high97.5Very high1 Ų126.9 Ų26.91%0.00614%0.135CC..Hα-helixtrans-61.6-46.1173.4172.50000111.1L202 E206 V207 A212 A213 A214 F222 V237 L287 V289 F299L202-V210 HydrophobicContact CD1-CG2 4.13Å; E206-V210 WeakPolarHBondContact O-CG2 3.4Å; E206-V210 PolarHBondContact O-N 3.22Å; V207-V210 PolarHBondContact O-N 2.88Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 2.91Å; V210-A213 PolarHBondContact O-N 3.16Å; V210-A214 WeakPolarHBondContact O-CB 3.35Å; V210-A214 PolarHBondContact O-N 3.45Å; V210-F222 HydrophobicContact CG1-CE1 3.93Å; V210-F222 HydrophobicContact CG1-CZ 3.63Å; V210-F222 HydrophobicContact CG2-CE1 4.34Å; V210-V237 HydrophobicContact CG1-CB 4.47Å; V210-V237 HydrophobicContact CG1-CG1 3.81Å; V210-V237 HydrophobicContact CG1-CG2 3.74Å; V210-L287 HydrophobicContact CG2-CD2 4.3Å; V210-V289 HydrophobicContact CG2-CG1 4.4Å; V210-V289 HydrophobicContact CG2-CG2 4.05Å; V210-F299 HydrophobicContact CG2-CE1 3.99Å; V210-F299 HydrophobicContact CG2-CZ 4.44Å
211F98.6Very high97.7Very high1 Ų120.9 Ų20.90%0.00410%0.103CC..Hα-helixtrans-61.1-40.6176.1173-108.4000112.1V207 L208 A213 A214 V215 L240 L241 L310 F344 F347 F348V207-F211 VanDerWaalsContact O-CB 3.3Å; V207-F211 WeakPolarHBondContact O-CB 3.37Å; V207-F211 PolarHBondContact O-N 3.38Å; L208-F211 PolarHBondContact O-N 3.3Å; F211-A213 VanDerWaalsContact C-N 3.32Å; F211-A213 PolarHBondContact O-N 2.94Å; F211-A214 PolarHBondContact O-N 3.17Å; F211-V215 HydrophobicContact CE2-CB 4.37Å; F211-V215 HydrophobicContact CZ-CB 4.31Å; F211-V215 HydrophobicContact CZ-CG2 4.29Å; F211-V215 WeakPolarHBondContact O-CB 3.4Å; F211-V215 WeakPolarHBondContact O-CG1 3.41Å; F211-V215 PolarHBondContact O-N 3.39Å; F211-L240 HydrophobicContact CB-CD1 4.36Å; F211-L240 HydrophobicContact CD2-CB 3.87Å; F211-L240 HydrophobicContact CE2-CB 4.33Å; F211-L240 WeakPolarHBondContact CE2-O 3.33Å; F211-L241 HydrophobicContact CD2-CD2 4.31Å; F211-L241 HydrophobicContact CE2-CD2 4.12Å; F211-L310 HydrophobicContact CD1-CD1 3.79Å; F211-L310 HydrophobicContact CD1-CD2 4.2Å; F211-L310 HydrophobicContact CE1-CD1 4.24Å; F211-L310 HydrophobicContact CE1-CD2 4.02Å; F211-F344 HydrophobicContact CB-CD1 4.49Å; F211-F344 HydrophobicContact CB-CE1 3.77Å; F211-F344 AromaticContact CD1-CD1 3.88Å; F211-F344 HydrophobicContact CD1-CD1 3.88Å; F211-F344 AromaticContact CD1-CE1 3.66Å; F211-F344 HydrophobicContact CD1-CE1 3.66Å; F211-F344 AromaticContact CD2-CD1 3.7Å; F211-F344 HydrophobicContact CD2-CD1 3.7Å; F211-F344 AromaticContact CD2-CE1 3.86Å; F211-F344 HydrophobicContact CD2-CE1 3.86Å; F211-F344 AromaticContact CE1-CD1 3.97Å; F211-F344 HydrophobicContact CE1-CD1 3.97Å; F211-F344 HydrophobicContact CE1-CE1 4.2Å; F211-F344 AromaticContact CE2-CD1 3.78Å; F211-F344 HydrophobicContact CE2-CD1 3.78Å; F211-F344 HydrophobicContact CE2-CE1 4.36Å; F211-F344 AromaticContact CG-CD1 3.76Å; F211-F344 HydrophobicContact CG-CD1 3.76Å; F211-F344 AromaticContact CG-CE1 3.47Å; F211-F344 HydrophobicContact CG-CE1 3.47Å; F211-F344 VanDerWaalsContact CG-CE1 3.47Å; F211-F344 AromaticContact CZ-CD1 3.92Å; F211-F344 HydrophobicContact CZ-CD1 3.92Å; F211-F347 HydrophobicContact CE1-CD1 4Å; F211-F347 AromaticContact CE1-CE1 3.97Å; F211-F347 HydrophobicContact CE1-CE1 3.97Å; F211-F347 HydrophobicContact CE1-CG 4.36Å; F211-F347 HydrophobicContact CE1-CZ 4.29Å; F211-F347 AromaticContact CZ-CD1 3.88Å; F211-F347 HydrophobicContact CZ-CD1 3.88Å; F211-F347 HydrophobicContact CZ-CE1 4.03Å; F211-F348 HydrophobicContact CE2-CE2 4.09Å; F211-F348 AromaticContact CE2-CZ 3.87Å; F211-F348 HydrophobicContact CE2-CZ 3.87Å; F211-F348 HydrophobicContact CZ-CE1 4.45Å; F211-F348 HydrophobicContact CZ-CE2 4.04Å; F211-F348 AromaticContact CZ-CZ 3.73Å; F211-F348 HydrophobicContact CZ-CZ 3.73Å
212A98.2Very high97.8Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-61.5-39.8177.600000112.3L208 Q209 V210 V215 I309 L310L208-A212 VanDerWaalsContact O-CB 3.27Å; L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 3.18Å; Q209-A212 WeakPolarHBondContact O-CB 3.47Å; Q209-A212 PolarHBondContact O-N 3.35Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 2.91Å; A212-V215 WeakPolarHBondContact O-CG1 3.29Å; A212-I309 HydrophobicContact CB-CB 4.03Å; A212-I309 HydrophobicContact CB-CD1 3.99Å; A212-I309 HydrophobicContact CB-CG2 4.11Å; A212-L310 HydrophobicContact CB-CD1 3.88Å; A212-L310 HydrophobicContact CB-CD2 4.27Å; A212-L310 HydrophobicContact CB-CG 3.76Å
213A98.3Very high97.9Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-69.3-43.6173.300000111.9Q209 V210 F211 L216 E217 R218 I220 L287Q209-A213 PolarHBondContact O-N 3.41Å; V210-A213 PolarHBondContact O-N 3.16Å; F211-A213 VanDerWaalsContact C-N 3.32Å; F211-A213 PolarHBondContact O-N 2.94Å; A213-L216 PolarHBondContact O-N 3.27Å; A213-E217 PolarHBondContact O-N 3.42Å; A213-R218 HydrophobicContact CB-CB 4.15Å; A213-R218 HydrophobicContact CB-CG 4.36Å; A213-R218 WeakPolarHBondContact O-CB 3.3Å; A213-R218 WeakPolarHBondContact O-CG 3.42Å; A213-R218 PolarHBondContact O-N 3.14Å; A213-R218 VanDerWaalsContact O-N 3.08Å; A213-I220 HydrophobicContact CB-CD1 3.64Å; A213-I220 HydrophobicContact CB-CG1 4.22Å; A213-L287 HydrophobicContact CB-CD2 3.68Å
214A98.4Very high98Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-66.9-42.2-177.900000112.1V210 F211 L216 E217 I220 V237 L241 W246 M395V210-A214 WeakPolarHBondContact O-CB 3.35Å; V210-A214 PolarHBondContact O-N 3.45Å; F211-A214 PolarHBondContact O-N 3.17Å; A214-L216 PolarHBondContact O-N 2.93Å; A214-E217 PolarHBondContact O-N 3.16Å; A214-I220 HydrophobicContact CB-CD1 3.96Å; A214-V237 HydrophobicContact CB-CG1 4.14Å; A214-L241 HydrophobicContact CB-CD1 4.45Å; A214-L241 HydrophobicContact CB-CD2 4.01Å; A214-W246 WeakPolarHBondContact O-CZ3 3.44Å; A214-M395 WeakPolarHBondContact O-CE 3.24Å
215V97.9Very high97.8Very high0 Ų019.5 Ų19.50%09%0.089CC..Hα-helixtrans-66.8-20.1-179.978.70000112.6F211 A212 L241 L310 F348 F386 F390F211-V215 HydrophobicContact CE2-CB 4.37Å; F211-V215 HydrophobicContact CZ-CB 4.31Å; F211-V215 HydrophobicContact CZ-CG2 4.29Å; F211-V215 WeakPolarHBondContact O-CB 3.4Å; F211-V215 WeakPolarHBondContact O-CG1 3.41Å; F211-V215 PolarHBondContact O-N 3.39Å; A212-V215 WeakPolarHBondContact O-CG1 3.29Å; V215-L241 HydrophobicContact CB-CD2 4.23Å; V215-L310 HydrophobicContact CG1-CD2 4.11Å; V215-F348 HydrophobicContact CG2-CE1 3.84Å; V215-F348 HydrophobicContact CG2-CZ 3.98Å; V215-F386 HydrophobicContact CG1-CE2 3.73Å; V215-F386 HydrophobicContact CG1-CZ 4.07Å; V215-F386 HydrophobicContact CG2-CE2 4.49Å; V215-F386 HydrophobicContact CG2-CZ 4.02Å; V215-F390 HydrophobicContact CG2-CD2 3.71Å; V215-F390 HydrophobicContact CG2-CE2 3.52Å; V215-F390 HydrophobicContact CG2-CZ 4.24Å; V215-F390 VanDerWaalsContact O-CD2 3.24Å; V215-F390 WeakPolarHBondContact O-CD2 3.3Å
216L97.6Very high97.7Very high30 Ų3019.3 Ų19.316%0.1579%0.088CC..THydrogen-bonded Turntrans-99.214.6173-67-166.5000113.6A213 A214 R218 I309 F386 K389A213-L216 PolarHBondContact O-N 3.27Å; A214-L216 PolarHBondContact O-N 2.93Å; L216-R218 HydrophobicContact CB-CG 4.49Å; L216-R218 PolarHBondContact O-N 3.4Å; L216-I309 HydrophobicContact CD1-CB 4.37Å; L216-I309 HydrophobicContact CD1-CD1 4.03Å; L216-I309 HydrophobicContact CD1-CG1 3.95Å; L216-I309 HydrophobicContact CD1-CG2 3.52Å; L216-I309 HydrophobicContact CG-CG2 3.85Å; L216-F386 HydrophobicContact CD2-CE2 4.42Å; L216-K389 HydrophobicContact CD1-CD 4.16Å; L216-K389 HydrophobicContact CD2-CB 3.92Å
217E98Very high97.6Very high24 Ų2417.7 Ų17.711%0.1128%0.081CC..THydrogen-bonded Turntrans53.451.5178.5-62.2-179.7161.100112.6A213 A214 W246 H248 P267 T393 Q394 M395A213-E217 PolarHBondContact O-N 3.42Å; A214-E217 PolarHBondContact O-N 3.16Å; E217-W246 HydrophobicContact CB-CH2 4.34Å; E217-W246 HydrophobicContact CB-CZ3 4.39Å; E217-W246 HydrophobicContact CG-CZ3 4.29Å; E217-H248 IonicContact OE1-CD2 2.69Å; E217-H248 IonicContact OE1-NE2 2.69Å; E217-H248 PolarHBondContact OE1-NE2 3.27Å; E217-H248 IonicContact OE2-CD2 3.77Å; E217-H248 IonicContact OE2-CE1 3.09Å; E217-H248 IonicContact OE2-NE2 2.74Å; E217-H248 PolarHBondContact OE2-NE2 2.97Å; E217-P267 HydrophobicContact CB-CB 4.12Å; E217-P267 HydrophobicContact CB-CG 4.04Å; E217-P267 WeakPolarHBondContact O-CB 3.5Å; E217-P267 WeakPolarHBondContact O-CG 3.33Å; E217-T393 VanDerWaalsContact CD-CB 3.41Å; E217-T393 HydrophobicContact CG-CG2 4Å; E217-T393 WeakPolarHBondContact OE2-CA 3.24Å; E217-Q394 VanDerWaalsContact CD-N 3.27Å; E217-Q394 WeakPolarHBondContact OE1-CA 3.24Å; E217-Q394 WeakPolarHBondContact OE1-CB 3.42Å; E217-Q394 PolarHBondContact OE1-N 3.02Å; E217-Q394 PolarHBondContact OE2-N 3.36Å; E217-M395 HydrophobicContact CG-CE 3.68Å; E217-M395 HydrophobicContact CG-CG 4.41Å; E217-M395 WeakPolarHBondContact OE1-CB 3.43Å; E217-M395 WeakPolarHBondContact OE1-CG 3.19Å; E217-M395 PolarHBondContact OE1-N 3.31Å
218R97.3Very high97.5Very high35 Ų3518 Ų1813%0.1328%0.084CC..  trans-82.9165.9174.1-65.6-170.6175.7-173.8-4.1112.1A213 L216 I220 W246 I303 D305 E306A213-R218 HydrophobicContact CB-CB 4.15Å; A213-R218 HydrophobicContact CB-CG 4.36Å; A213-R218 WeakPolarHBondContact O-CB 3.3Å; A213-R218 WeakPolarHBondContact O-CG 3.42Å; A213-R218 PolarHBondContact O-N 3.14Å; A213-R218 VanDerWaalsContact O-N 3.08Å; L216-R218 HydrophobicContact CB-CG 4.49Å; L216-R218 PolarHBondContact O-N 3.4Å; R218-I220 HydrophobicContact CB-CG1 4.35Å; R218-W246 WeakPolarHBondContact O-CH2 3.32Å; R218-I303 HydrophobicContact CG-CD1 4.48Å; R218-D305 IonicContact CZ-OD1 3.39Å; R218-D305 IonicContact CZ-OD2 3.2Å; R218-D305 IonicContact NH1-OD1 3.09Å; R218-D305 PolarHBondContact NH1-OD1 2.9Å; R218-D305 IonicContact NH2-OD1 2.81Å; R218-D305 PolarHBondContact NH2-OD1 2.91Å; R218-D305 IonicContact NH2-OD2 2.98Å; R218-D305 PolarHBondContact NH2-OD2 3.26Å; R218-E306 IonicContact NH1-OE1 3.75Å; R218-E306 PolarHBondContact NH1-OE1 3.43Å
219R98.1Very high97.4Very high46 Ų4618.5 Ų18.517%0.1749%0.088CC..EExtended strand (participates in β ladder)trans-76.1116.8166.1-69.7-178.2-61.1164.76.6108.6A264 T266 Y268 S284 D285 L286 L287R219-A264 WeakPolarHBondContact CD-O 3.3Å; R219-T266 WeakPolarHBondContact CG-O 3.28Å; R219-Y268 HydrophobicContact CB-CD1 4.41Å; R219-Y268 HydrophobicContact CB-CD2 4.16Å; R219-Y268 HydrophobicContact CB-CE1 3.94Å; R219-Y268 HydrophobicContact CB-CE2 3.65Å; R219-Y268 VanDerWaalsContact CD-CE1 3.46Å; R219-Y268 HydrophobicContact CG-CD1 3.86Å; R219-Y268 HydrophobicContact CG-CD2 4.45Å; R219-Y268 HydrophobicContact CG-CE1 3.55Å; R219-Y268 HydrophobicContact CG-CE2 4.17Å; R219-Y268 HydrophobicContact CG-CG 4.32Å; R219-S284 PolarHBondContact NH2-O 3.44Å; R219-D285 PolarHBondContact NE-O 3.11Å; R219-D285 VanDerWaalsContact NH2-CB 3.3Å; R219-D285 PolarHBondContact NH2-O 2.89Å; R219-L286 HydrophobicContact CB-CB 3.73Å; R219-L286 WeakPolarHBondContact O-CA 3.38Å; R219-L286 WeakPolarHBondContact O-CB 3.47Å; R219-L287 PolarHBondContact O-N 3.13Å
220I98.6Very high97.3Very high0 Ų016.8 Ų16.80%08%0.079CC..EExtended strand (participates in β ladder)trans-128.8128.8-178.8-45.5-179.8000109.3A213 A214 R218 F222 Y268 L269 L270 L287 V289A213-I220 HydrophobicContact CB-CD1 3.64Å; A213-I220 HydrophobicContact CB-CG1 4.22Å; A214-I220 HydrophobicContact CB-CD1 3.96Å; R218-I220 HydrophobicContact CB-CG1 4.35Å; I220-F222 HydrophobicContact CB-CE2 4.37Å; I220-F222 HydrophobicContact CG2-CD2 4.24Å; I220-F222 HydrophobicContact CG2-CE1 4.41Å; I220-F222 HydrophobicContact CG2-CE2 3.61Å; I220-F222 HydrophobicContact CG2-CZ 3.71Å; I220-Y268 PolarHBondContact N-O 3.02Å; I220-L269 HydrophobicContact CB-CD2 3.76Å; I220-L269 HydrophobicContact CD1-CD2 3.77Å; I220-L269 HydrophobicContact CG1-CD2 3.97Å; I220-L270 PolarHBondContact O-N 2.98Å; I220-L287 WeakPolarHBondContact CA-O 3.37Å; I220-L287 HydrophobicContact CG1-CB 4.33Å; I220-L287 HydrophobicContact CG2-CB 4.24Å; I220-L287 HydrophobicContact CG2-CD2 4.2Å; I220-L287 HydrophobicContact CG2-CG 4.46Å; I220-V289 HydrophobicContact CG2-CG2 4.2Å
221I98.6Very high97.2Very high0 Ų016.8 Ų16.80%08%0.079CC..EExtended strand (participates in β ladder)trans-118129.6174.1-54.9-177.8000108I223 V262 Y268 L270 V272 V280 L286 L287 L288 V289I221-I223 HydrophobicContact CG2-CD1 3.95Å; I221-V262 HydrophobicContact CD1-CB 4.03Å; I221-V262 HydrophobicContact CD1-CG1 3.84Å; I221-Y268 HydrophobicContact CD1-CE2 4.15Å; I221-Y268 HydrophobicContact CG1-CE2 3.65Å; I221-L270 CarbonylContact C-O 3.6Å; I221-L270 WeakPolarHBondContact CA-O 3.39Å; I221-L270 HydrophobicContact CG1-CB 4.37Å; I221-L270 HydrophobicContact CG1-CD1 4.48Å; I221-V272 HydrophobicContact CG2-CB 4.12Å; I221-V272 HydrophobicContact CG2-CG2 3.82Å; I221-V280 HydrophobicContact CD1-CB 4.29Å; I221-L286 HydrophobicContact CD1-CD2 3.78Å; I221-L286 HydrophobicContact CG1-CD2 4.31Å; I221-L287 PolarHBondContact N-O 3.43Å; I221-L288 HydrophobicContact CB-CD1 3.6Å; I221-L288 HydrophobicContact CG2-CD1 3.62Å; I221-L288 WeakPolarHBondContact O-CA 3.48Å; I221-V289 PolarHBondContact O-N 3.21Å
222F98.6Very high97Very high0 Ų018.4 Ų18.40%09%0.087CC..EExtended strand (participates in β ladder)trans-104.6139.5170.5-60.6-90.1000110.1V210 I220 L230 V233 L234 V237 L270 V272 V289 L291V210-F222 HydrophobicContact CG1-CE1 3.93Å; V210-F222 HydrophobicContact CG1-CZ 3.63Å; V210-F222 HydrophobicContact CG2-CE1 4.34Å; I220-F222 HydrophobicContact CB-CE2 4.37Å; I220-F222 HydrophobicContact CG2-CD2 4.24Å; I220-F222 HydrophobicContact CG2-CE1 4.41Å; I220-F222 HydrophobicContact CG2-CE2 3.61Å; I220-F222 HydrophobicContact CG2-CZ 3.71Å; F222-L230 HydrophobicContact CB-CD2 4.12Å; F222-L230 WeakPolarHBondContact O-CD2 3.36Å; F222-V233 HydrophobicContact CD1-CG1 3.92Å; F222-V233 HydrophobicContact CE1-CG1 4.02Å; F222-V233 HydrophobicContact CG-CG1 4.49Å; F222-L234 HydrophobicContact CB-CD1 3.79Å; F222-L234 HydrophobicContact CD2-CD1 3.52Å; F222-L234 HydrophobicContact CD2-CD2 4.27Å; F222-L234 HydrophobicContact CD2-CG 3.72Å; F222-L234 HydrophobicContact CE2-CD1 4.36Å; F222-L234 HydrophobicContact CE2-CG 4.15Å; F222-L234 HydrophobicContact CG-CD1 3.84Å; F222-L234 HydrophobicContact CG-CG 4.49Å; F222-V237 HydrophobicContact CE1-CG2 4.25Å; F222-V237 HydrophobicContact CZ-CB 4.37Å; F222-V237 HydrophobicContact CZ-CG1 4.26Å; F222-V237 HydrophobicContact CZ-CG2 3.82Å; F222-L270 PolarHBondContact N-O 3.24Å; F222-V272 PolarHBondContact O-N 2.96Å; F222-V289 CarbonylContact C-O 3.59Å; F222-V289 WeakPolarHBondContact CA-O 3.28Å; F222-V289 HydrophobicContact CD1-CB 3.74Å; F222-V289 HydrophobicContact CD1-CG1 4.01Å; F222-V289 HydrophobicContact CD1-CG2 4.2Å; F222-V289 HydrophobicContact CE1-CB 4.05Å; F222-V289 HydrophobicContact CE1-CG1 4.18Å; F222-V289 HydrophobicContact CE1-CG2 4.06Å; F222-L291 HydrophobicContact CB-CD1 3.82Å; F222-L291 HydrophobicContact CB-CG 4.39Å; F222-L291 HydrophobicContact CD1-CD1 4.04Å; F222-L291 HydrophobicContact CD1-CD2 4.1Å; F222-L291 HydrophobicContact CD1-CG 4.26Å; F222-L291 HydrophobicContact CG-CD1 4.31Å
223I98.1Very high96.9Very high0 Ų018.4 Ų18.40%09%0.087CC..EExtended strand (participates in β ladder)trans-118.5130.1-178.9-56.1-68.1000109.1I221 V272 K274 L277 V280 L288 V289 L291I221-I223 HydrophobicContact CG2-CD1 3.95Å; I223-V272 WeakPolarHBondContact CA-O 3.44Å; I223-V272 HydrophobicContact CD1-CB 3.76Å; I223-V272 HydrophobicContact CD1-CG1 4.01Å; I223-K274 HydrophobicContact CG2-CB 3.81Å; I223-K274 HydrophobicContact CG2-CG 3.94Å; I223-L277 HydrophobicContact CD1-CD1 4.15Å; I223-L277 HydrophobicContact CG1-CD1 4.03Å; I223-L277 HydrophobicContact CG2-CD1 4.4Å; I223-V280 HydrophobicContact CD1-CG2 3.95Å; I223-L288 HydrophobicContact CD1-CD1 3.93Å; I223-L288 HydrophobicContact CG1-CD1 3.57Å; I223-L288 HydrophobicContact CG1-CG 4.34Å; I223-V289 PolarHBondContact N-O 3.49Å; I223-L291 WeakPolarHBondContact O-CA 3.05Å; I223-L291 VanDerWaalsContact O-CB 3.28Å; I223-L291 WeakPolarHBondContact O-CB 3.44Å; I223-L291 PolarHBondContact O-N 3.18Å
224A97.4Very high96.9Very high2 Ų218.4 Ų18.42%0.0179%0.087CC..EExtended strand (participates in β ladder)trans-152.6161170.300000110.9T229 L230 V272 Q273 K274 L291A224-T229 HydrophobicContact CB-CG2 4.09Å; A224-L230 HydrophobicContact CB-CD2 3.81Å; A224-L230 HydrophobicContact CB-CG 3.78Å; A224-V272 PolarHBondContact N-O 2.87Å; A224-Q273 CarbonylContact O-C 3.54Å; A224-Q273 WeakPolarHBondContact O-CA 3.36Å; A224-K274 PolarHBondContact O-N 3.17Å; A224-L291 HydrophobicContact CB-CB 4.05Å; A224-L291 HydrophobicContact CB-CD1 4.49Å
225E94.2Very high96.7Very high90 Ų9019 Ų1942%0.4219%0.09SC..SBendtrans-72.3-45.4169.4-63.397.9178.300112K274 S292E225-K274 HydrophobicContact CG-CB 4.25Å; E225-K274 HydrophobicContact CG-CD 3.82Å; E225-K274 WeakPolarHBondContact OE1-CD 3.25Å; E225-K274 WeakPolarHBondContact OE1-CE 3.39Å; E225-K274 IonicContact OE1-NZ 3.95Å; E225-K274 PolarHBondContact OE1-NZ 3.41Å; E225-S292 PolarHBondContact OE1-OG 3.23Å
226E94.4Very high96.7Very high96 Ų9619 Ų1945%0.4499%0.09SC..  trans-88.7132.7-172.3-63.2171.2-166.100112G228 T229 L230E226-G228 VanDerWaalsContact C-N 3.31Å; E226-G228 PolarHBondContact O-N 3.3Å; E226-T229 PolarHBondContact O-N 3.11Å; E226-T229 PolarHBondContact OE2-OG1 3.42Å; E226-L230 PolarHBondContact O-N 3.06Å
227L95.3Very high96.7Very high1 Ų117.6 Ų17.61%0.0058%0.082CC..Hα-helixtrans-68-34.7179-64.7-179.7000111.9P69 E83 F85 R103 T229 L230 S231 I253 Q273P69-L227 HydrophobicContact CG-CD1 3.99Å; P69-L227 HydrophobicContact CG-CD2 4.03Å; E83-L227 WeakPolarHBondContact OE1-CB 3.37Å; E83-L227 PolarHBondContact OE1-N 3.28Å; F85-L227 HydrophobicContact CB-CB 3.89Å; F85-L227 HydrophobicContact CD1-CB 3.79Å; F85-L227 HydrophobicContact CD1-CD1 3.94Å; F85-L227 HydrophobicContact CD2-CB 4.45Å; F85-L227 HydrophobicContact CE1-CB 4.43Å; F85-L227 HydrophobicContact CE1-CD1 3.71Å; F85-L227 HydrophobicContact CE2-CD1 4.39Å; F85-L227 HydrophobicContact CG-CB 3.8Å; F85-L227 HydrophobicContact CG-CD1 4.39Å; F85-L227 HydrophobicContact CZ-CD1 3.96Å; R103-L227 VanDerWaalsContact CZ-CD1 3.46Å; R103-L227 VanDerWaalsContact NH1-CD1 3.33Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 3.33Å; L227-L230 HydrophobicContact CD2-CD1 4.46Å; L227-L230 PolarHBondContact O-N 3.2Å; L227-S231 VanDerWaalsContact O-CB 3.29Å; L227-S231 WeakPolarHBondContact O-CB 3.47Å; L227-S231 PolarHBondContact O-N 3.36Å; L227-I253 HydrophobicContact CB-CD1 3.96Å; L227-I253 HydrophobicContact CD2-CD1 4.15Å; L227-I253 HydrophobicContact CD2-CG1 4.22Å; L227-I253 HydrophobicContact CD2-CG2 3.61Å; L227-Q273 HydrophobicContact CD2-CG 3.57Å; L227-Q273 VanDerWaalsContact CD2-NE2 3.3Å
228G94.8Very high96.6Very high7 Ų717.5 Ų17.57%0.0729%0.086CC..Hα-helixtrans-58.5-41.9175.600000112.1T84 E226 Q232T84-G228 VanDerWaalsContact O-CA 3.25Å; T84-G228 WeakPolarHBondContact O-CA 3.4Å; E226-G228 VanDerWaalsContact C-N 3.31Å; E226-G228 PolarHBondContact O-N 3.3Å; G228-Q232 WeakPolarHBondContact O-CB 3.12Å; G228-Q232 VanDerWaalsContact O-CG 3.26Å; G228-Q232 WeakPolarHBondContact O-CG 3.37Å; G228-Q232 PolarHBondContact O-N 3.4Å; G228-Q232 PolarHBondContact O-NE2 3.08Å
229T95.9Very high96.4Very high19 Ų1916.3 Ų16.312%0.1178%0.084CC..Hα-helixtrans-66.1-50.7178.2-63.50000111.4T197 C201 A224 E226 L227 S231 Q232 V233 L291T197-T229 HydrophobicContact CG2-CG2 4.38Å; C201-T229 VanDerWaalsContact SG-CG2 3.59Å; A224-T229 HydrophobicContact CB-CG2 4.09Å; E226-T229 PolarHBondContact O-N 3.11Å; E226-T229 PolarHBondContact OE2-OG1 3.42Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 3.33Å; T229-S231 PolarHBondContact O-N 3.39Å; T229-Q232 PolarHBondContact O-N 2.91Å; T229-V233 HydrophobicContact CG2-CG2 4.33Å; T229-V233 WeakPolarHBondContact O-CB 3.31Å; T229-V233 WeakPolarHBondContact O-CG2 3.28Å; T229-V233 PolarHBondContact O-N 3.38Å; T229-L291 HydrophobicContact CG2-CB 4.26Å; T229-L291 HydrophobicContact CG2-CD1 4.35Å
230L97Very high96.4Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-53.4-53.7175.6-73.8173.6000111.2F222 A224 E226 L227 Q232 V233 L234 I253 Q273 L291F222-L230 HydrophobicContact CB-CD2 4.12Å; F222-L230 WeakPolarHBondContact O-CD2 3.36Å; A224-L230 HydrophobicContact CB-CD2 3.81Å; A224-L230 HydrophobicContact CB-CG 3.78Å; E226-L230 PolarHBondContact O-N 3.06Å; L227-L230 HydrophobicContact CD2-CD1 4.46Å; L227-L230 PolarHBondContact O-N 3.2Å; L230-Q232 PolarHBondContact O-N 3.16Å; L230-V233 PolarHBondContact O-N 3.08Å; L230-L234 WeakPolarHBondContact O-CD1 3.34Å; L230-L234 PolarHBondContact O-N 3.41Å; L230-I253 HydrophobicContact CB-CG1 4.45Å; L230-Q273 HydrophobicContact CD1-CG 4.33Å; L230-L291 HydrophobicContact CD2-CD1 4.4Å
231S95.4Very high96.3Very high1 Ų114.3 Ų14.31%0.0078%0.076CC..Hα-helixtrans-54.1-53.8-180172.90000112.3S86 L227 T229 H235S86-S231 WeakPolarHBondContact CA-OG 3.41Å; S86-S231 PolarHBondContact N-OG 3.18Å; S86-S231 WeakPolarHBondContact O-CB 3.37Å; S86-S231 PolarHBondContact O-OG 3.25Å; S86-S231 PolarHBondContact OG-OG 3.15Å; L227-S231 VanDerWaalsContact O-CB 3.29Å; L227-S231 WeakPolarHBondContact O-CB 3.47Å; L227-S231 PolarHBondContact O-N 3.36Å; T229-S231 PolarHBondContact O-N 3.39Å; S231-H235 PolarHBondContact O-CD2 3.35Å; S231-H235 PolarHBondContact O-N 2.79Å
232Q94.6Very high96.1Very high36 Ų3616.9 Ų16.917%0.1689%0.086CC..Hα-helixtrans-67.2-40.7-175.2-7117961.400112.1N194 T197 G228 T229 L230 A236N194-Q232 PolarHBondContact ND2-OE1 3.45Å; T197-Q232 HydrophobicContact CG2-CB 3.93Å; T197-Q232 PolarHBondContact OG1-OE1 3.31Å; G228-Q232 WeakPolarHBondContact O-CB 3.12Å; G228-Q232 VanDerWaalsContact O-CG 3.26Å; G228-Q232 WeakPolarHBondContact O-CG 3.37Å; G228-Q232 PolarHBondContact O-N 3.4Å; G228-Q232 PolarHBondContact O-NE2 3.08Å; T229-Q232 PolarHBondContact O-N 2.91Å; L230-Q232 PolarHBondContact O-N 3.16Å; Q232-A236 VanDerWaalsContact O-CB 3.3Å; Q232-A236 WeakPolarHBondContact O-CB 3.4Å; Q232-A236 PolarHBondContact O-N 3.12Å
233V97.4Very high95.8Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-65.4-44.6178.3170.20000111.6T197 L198 F222 T229 L230 H235 A236 V237 L291T197-V233 HydrophobicContact CG2-CG2 4.24Å; L198-V233 HydrophobicContact CD1-CG1 3.81Å; F222-V233 HydrophobicContact CD1-CG1 3.92Å; F222-V233 HydrophobicContact CE1-CG1 4.02Å; F222-V233 HydrophobicContact CG-CG1 4.49Å; T229-V233 HydrophobicContact CG2-CG2 4.33Å; T229-V233 WeakPolarHBondContact O-CB 3.31Å; T229-V233 WeakPolarHBondContact O-CG2 3.28Å; T229-V233 PolarHBondContact O-N 3.38Å; L230-V233 PolarHBondContact O-N 3.08Å; V233-H235 PolarHBondContact O-N 3.29Å; V233-A236 PolarHBondContact O-N 2.68Å; V233-V237 HydrophobicContact CG1-CG2 4.29Å; V233-V237 WeakPolarHBondContact O-CG2 3.28Å; V233-V237 PolarHBondContact O-N 3.33Å; V233-L291 HydrophobicContact CB-CD1 3.8Å; V233-L291 HydrophobicContact CG1-CD1 3.68Å; V233-L291 HydrophobicContact CG1-CD2 4.08Å; V233-L291 HydrophobicContact CG2-CD1 3.88Å
234L97.2Very high95.6Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-64.3-41.4179.2-88.686.9000112.3F222 L230 A238 F250 L269 L270F222-L234 HydrophobicContact CB-CD1 3.79Å; F222-L234 HydrophobicContact CD2-CD1 3.52Å; F222-L234 HydrophobicContact CD2-CD2 4.27Å; F222-L234 HydrophobicContact CD2-CG 3.72Å; F222-L234 HydrophobicContact CE2-CD1 4.36Å; F222-L234 HydrophobicContact CE2-CG 4.15Å; F222-L234 HydrophobicContact CG-CD1 3.84Å; F222-L234 HydrophobicContact CG-CG 4.49Å; L230-L234 WeakPolarHBondContact O-CD1 3.34Å; L230-L234 PolarHBondContact O-N 3.41Å; L234-A238 WeakPolarHBondContact O-CB 3.34Å; L234-A238 PolarHBondContact O-N 3.27Å; L234-F250 HydrophobicContact CB-CE2 4.03Å; L234-F250 HydrophobicContact CB-CZ 3.86Å; L234-F250 HydrophobicContact CD2-CE2 4.42Å; L234-L269 HydrophobicContact CD2-CB 4.28Å; L234-L270 VanDerWaalsContact CD2-C 3.44Å
235H95.2Very high95.4Very high11 Ų1122.1 Ų22.15%0.05112%0.118CC..Hα-helixtrans-64.7-39.9174-76.2-64000112.1S86 H192 S231 V233 A238 A239S86-H235 PolarHBondContact OG-NE2 3.24Å; H192-H235 AromaticContact CD2-ND1 3.86Å; S231-H235 PolarHBondContact O-CD2 3.35Å; S231-H235 PolarHBondContact O-N 2.79Å; V233-H235 PolarHBondContact O-N 3.29Å; H235-A238 PolarHBondContact O-N 2.62Å; H235-A239 WeakPolarHBondContact O-CB 3.42Å; H235-A239 PolarHBondContact O-N 3.45Å
236A96.2Very high95.4Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-62.3-47.9175.700000112V193 F195 L198 Q232 V233 A238 A239 L240V193-A236 HydrophobicContact CG1-CB 4.21Å; F195-A236 HydrophobicContact CD1-CB 3.77Å; F195-A236 HydrophobicContact CE1-CB 3.89Å; F195-A236 VanDerWaalsContact CE1-O 3.28Å; F195-A236 WeakPolarHBondContact CE1-O 3.36Å; L198-A236 HydrophobicContact CB-CB 4.08Å; L198-A236 HydrophobicContact CD2-CB 4.24Å; Q232-A236 VanDerWaalsContact O-CB 3.3Å; Q232-A236 WeakPolarHBondContact O-CB 3.4Å; Q232-A236 PolarHBondContact O-N 3.12Å; V233-A236 PolarHBondContact O-N 2.68Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A236-A238 PolarHBondContact O-N 2.9Å; A236-A239 WeakPolarHBondContact O-CB 3.21Å; A236-A239 PolarHBondContact O-N 3.46Å; A236-A239 VanDerWaalsContact O-N 3.09Å; A236-L240 WeakPolarHBondContact O-CG 3.38Å; A236-L240 PolarHBondContact O-N 3.5Å; A236-L240 VanDerWaalsContact O-N 3.09Å
237V97.9Very high95.4Very high1 Ų116.7 Ų16.71%0.0069%0.093CC..Hα-helixtrans-61.2-43.2177.7171.50000111.3L198 V210 A214 F222 V233 A239 L240L198-V237 HydrophobicContact CD1-CG2 3.97Å; V210-V237 HydrophobicContact CG1-CB 4.47Å; V210-V237 HydrophobicContact CG1-CG1 3.81Å; V210-V237 HydrophobicContact CG1-CG2 3.74Å; A214-V237 HydrophobicContact CB-CG1 4.14Å; F222-V237 HydrophobicContact CE1-CG2 4.25Å; F222-V237 HydrophobicContact CZ-CB 4.37Å; F222-V237 HydrophobicContact CZ-CG1 4.26Å; F222-V237 HydrophobicContact CZ-CG2 3.82Å; V233-V237 HydrophobicContact CG1-CG2 4.29Å; V233-V237 WeakPolarHBondContact O-CG2 3.28Å; V233-V237 PolarHBondContact O-N 3.33Å; V237-A239 VanDerWaalsContact C-N 3.27Å; V237-A239 PolarHBondContact O-N 3.13Å; V237-L240 WeakPolarHBondContact O-CB 3.46Å; V237-L240 PolarHBondContact O-N 2.85Å
238A95.8Very high95.4Very high22 Ų2218.8 Ų18.818%0.18210%0.102CC..Hα-helixtrans-60.6-37.7174.600000112.1L234 H235 A236 L240 L241 F250L234-A238 WeakPolarHBondContact O-CB 3.34Å; L234-A238 PolarHBondContact O-N 3.27Å; H235-A238 PolarHBondContact O-N 2.62Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A236-A238 PolarHBondContact O-N 2.9Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 2.9Å; A238-L241 WeakPolarHBondContact O-CB 3.31Å; A238-L241 PolarHBondContact O-N 3.24Å; A238-F250 HydrophobicContact CB-CE2 4.05Å
239A94.3Very high95.4Very high11 Ų1120.8 Ų20.89%0.09111%0.113CC..Hα-helixtrans-70.5-24.4178.500000114V193 F195 H235 A236 V237 L241 Y242V193-A239 HydrophobicContact CB-CB 4.36Å; V193-A239 HydrophobicContact CG1-CB 3.98Å; V193-A239 HydrophobicContact CG2-CB 3.45Å; V193-A239 VanDerWaalsContact CG2-CB 3.45Å; F195-A239 HydrophobicContact CZ-CB 3.95Å; H235-A239 WeakPolarHBondContact O-CB 3.42Å; H235-A239 PolarHBondContact O-N 3.45Å; A236-A239 WeakPolarHBondContact O-CB 3.21Å; A236-A239 PolarHBondContact O-N 3.46Å; A236-A239 VanDerWaalsContact O-N 3.09Å; V237-A239 VanDerWaalsContact C-N 3.27Å; V237-A239 PolarHBondContact O-N 3.13Å; A239-L241 PolarHBondContact O-N 3.09Å; A239-Y242 WeakPolarHBondContact O-CB 3.23Å; A239-Y242 PolarHBondContact O-N 3.44Å
240L96.9Very high95.4Very high3 Ų320.1 Ų20.12%0.01611%0.109CC..THydrogen-bonded Turntrans-62.2-21.5172.5-61.8-179.9000112.5F195 L198 V207 F211 A236 V237 A238 Y242 V340 F344 F348F195-L240 HydrophobicContact CD1-CD2 4.18Å; F195-L240 HydrophobicContact CE1-CD2 3.29Å; F195-L240 HydrophobicContact CE1-CG 3.86Å; F195-L240 HydrophobicContact CZ-CD2 3.72Å; F195-L240 HydrophobicContact CZ-CG 4.43Å; L198-L240 HydrophobicContact CD2-CD1 4.25Å; V207-L240 HydrophobicContact CG1-CD1 3.86Å; F211-L240 HydrophobicContact CB-CD1 4.36Å; F211-L240 HydrophobicContact CD2-CB 3.87Å; F211-L240 HydrophobicContact CE2-CB 4.33Å; F211-L240 WeakPolarHBondContact CE2-O 3.33Å; A236-L240 WeakPolarHBondContact O-CG 3.38Å; A236-L240 PolarHBondContact O-N 3.5Å; A236-L240 VanDerWaalsContact O-N 3.09Å; V237-L240 WeakPolarHBondContact O-CB 3.46Å; V237-L240 PolarHBondContact O-N 2.85Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 2.9Å; L240-Y242 VanDerWaalsContact C-N 3.3Å; L240-V340 HydrophobicContact CD2-CG1 3.71Å; L240-F344 HydrophobicContact CB-CD1 4.27Å; L240-F344 HydrophobicContact CB-CG 4.38Å; L240-F344 HydrophobicContact CD1-CE1 4.24Å; L240-F344 HydrophobicContact CD1-CZ 4.17Å; L240-F344 HydrophobicContact CD2-CB 4.47Å; L240-F344 HydrophobicContact CD2-CD1 4.26Å; L240-F344 HydrophobicContact CD2-CD2 3.49Å; L240-F344 VanDerWaalsContact CD2-CD2 3.49Å; L240-F344 HydrophobicContact CD2-CE1 4.39Å; L240-F344 HydrophobicContact CD2-CE2 3.66Å; L240-F344 HydrophobicContact CD2-CG 3.82Å; L240-F344 HydrophobicContact CD2-CZ 4.12Å; L240-F348 WeakPolarHBondContact O-CE2 3.44Å
241L97Very high95.4Very high0 Ų021.2 Ų21.20%011%0.114CC..THydrogen-bonded Turntrans-80.5-10.4-177.6-57.7170.8000113F211 A214 V215 A238 A239 F244 W246 F348 M395F211-L241 HydrophobicContact CD2-CD2 4.31Å; F211-L241 HydrophobicContact CE2-CD2 4.12Å; A214-L241 HydrophobicContact CB-CD1 4.45Å; A214-L241 HydrophobicContact CB-CD2 4.01Å; V215-L241 HydrophobicContact CB-CD2 4.23Å; A238-L241 WeakPolarHBondContact O-CB 3.31Å; A238-L241 PolarHBondContact O-N 3.24Å; A239-L241 PolarHBondContact O-N 3.09Å; L241-F244 CarbonylContact C-O 3.53Å; L241-F244 VanDerWaalsContact C-O 3.29Å; L241-F244 WeakPolarHBondContact O-CA 3.43Å; L241-F244 VanDerWaalsContact O-CB 3.3Å; L241-F244 WeakPolarHBondContact O-CB 3.34Å; L241-F244 PolarHBondContact O-N 2.84Å; L241-W246 HydrophobicContact CD1-CB 4.17Å; L241-W246 HydrophobicContact CD1-CE3 3.87Å; L241-F348 WeakPolarHBondContact O-CE2 3.26Å; L241-M395 HydrophobicContact CB-SD 4.41Å; L241-M395 HydrophobicContact CD1-CE 4.09Å; L241-M395 HydrophobicContact CD1-SD 3.8Å; L241-M395 HydrophobicContact CD2-CE 4.22Å
242Y93.6Very high95.4Very high54 Ų5421.2 Ų21.221%0.21211%0.114CC..THydrogen-bonded Turntrans-53.6128.6-179.8-179.6-94.2000111.2W189 A239 L240 L345 F348 I411W189-Y242 HydrophobicContact CD2-CD1 4.33Å; W189-Y242 HydrophobicContact CD2-CG 4.44Å; W189-Y242 HydrophobicContact CG-CD2 4.37Å; W189-Y242 HydrophobicContact CG-CG 4.47Å; W189-Y242 HydrophobicContact CH2-CD1 4.4Å; W189-Y242 HydrophobicContact CZ2-CD1 4.01Å; W189-Y242 HydrophobicContact CZ2-CG 4.49Å; A239-Y242 WeakPolarHBondContact O-CB 3.23Å; A239-Y242 PolarHBondContact O-N 3.44Å; L240-Y242 VanDerWaalsContact C-N 3.3Å; Y242-L345 HydrophobicContact CD1-CD1 3.7Å; Y242-L345 HydrophobicContact CD1-CD2 4.34Å; Y242-L345 HydrophobicContact CE1-CD1 3.76Å; Y242-L345 HydrophobicContact CE1-CD2 4.08Å; Y242-F348 WeakPolarHBondContact O-CD2 3.37Å; Y242-F348 WeakPolarHBondContact O-CE2 3.43Å; Y242-I411 WeakPolarHBondContact OH-CB 3.49Å
243P92.7Very high95.5Very high19 Ų1919.5 Ų19.512%0.12311%0.106CC..THydrogen-bonded Turncis-86.7-1.319.838-41.8000116.2F399 F412P243-F399 HydrophobicContact CB-CE2 4.42Å; P243-F399 HydrophobicContact CG-CE2 4.32Å; P243-F412 HydrophobicContact CB-CB 3.82Å; P243-F412 HydrophobicContact CB-CD1 3.91Å; P243-F412 HydrophobicContact CB-CD2 4.34Å; P243-F412 HydrophobicContact CB-CG 3.78Å; P243-F412 HydrophobicContact CG-CB 4.23Å; P243-F412 HydrophobicContact CG-CD1 3.54Å; P243-F412 HydrophobicContact CG-CD2 3.86Å; P243-F412 HydrophobicContact CG-CE1 3.68Å; P243-F412 HydrophobicContact CG-CE2 3.99Å; P243-F412 HydrophobicContact CG-CG 3.62Å; P243-F412 HydrophobicContact CG-CZ 3.9Å
244F94.6Very high95.5Very high7 Ų719.5 Ų19.53%0.03111%0.106CC..SBendtrans-82.3147.7178.9-56.2-86000109.9L241 F348 V352 F390 M395 F396 F399L241-F244 CarbonylContact C-O 3.53Å; L241-F244 VanDerWaalsContact C-O 3.29Å; L241-F244 WeakPolarHBondContact O-CA 3.43Å; L241-F244 VanDerWaalsContact O-CB 3.3Å; L241-F244 WeakPolarHBondContact O-CB 3.34Å; L241-F244 PolarHBondContact O-N 2.84Å; F244-F348 AromaticContact CD2-CD1 3.82Å; F244-F348 HydrophobicContact CD2-CD1 3.82Å; F244-F348 AromaticContact CD2-CE1 3.7Å; F244-F348 HydrophobicContact CD2-CE1 3.7Å; F244-F348 HydrophobicContact CD2-CE2 4.47Å; F244-F348 HydrophobicContact CD2-CG 4.26Å; F244-F348 HydrophobicContact CD2-CZ 4.04Å; F244-F348 HydrophobicContact CE2-CB 4.45Å; F244-F348 AromaticContact CE2-CD1 3.48Å; F244-F348 HydrophobicContact CE2-CD1 3.48Å; F244-F348 VanDerWaalsContact CE2-CD1 3.48Å; F244-F348 AromaticContact CE2-CE1 3.79Å; F244-F348 HydrophobicContact CE2-CE1 3.79Å; F244-F348 AromaticContact CE2-CG 3.99Å; F244-F348 HydrophobicContact CE2-CG 3.99Å; F244-V352 HydrophobicContact CE2-CG2 4.1Å; F244-V352 HydrophobicContact CZ-CG2 3.99Å; F244-F390 HydrophobicContact CD1-CZ 4.07Å; F244-F390 HydrophobicContact CD2-CE1 4.36Å; F244-F390 AromaticContact CD2-CZ 3.7Å; F244-F390 HydrophobicContact CD2-CZ 3.7Å; F244-F390 HydrophobicContact CE1-CE1 4.16Å; F244-F390 AromaticContact CE1-CZ 3.93Å; F244-F390 HydrophobicContact CE1-CZ 3.93Å; F244-F390 AromaticContact CE2-CE1 3.76Å; F244-F390 HydrophobicContact CE2-CE1 3.76Å; F244-F390 AromaticContact CE2-CZ 3.58Å; F244-F390 HydrophobicContact CE2-CZ 3.58Å; F244-F390 AromaticContact CG-CZ 3.97Å; F244-F390 HydrophobicContact CG-CZ 3.97Å; F244-F390 AromaticContact CZ-CE1 3.65Å; F244-F390 HydrophobicContact CZ-CE1 3.65Å; F244-F390 AromaticContact CZ-CZ 3.7Å; F244-F390 HydrophobicContact CZ-CZ 3.7Å; F244-M395 HydrophobicContact CB-CB 4.22Å; F244-M395 HydrophobicContact CB-SD 4.19Å; F244-F396 HydrophobicContact CE1-CB 4.34Å; F244-F396 AromaticContact CE1-CD2 3.64Å; F244-F396 HydrophobicContact CE1-CD2 3.64Å; F244-F396 HydrophobicContact CE1-CE2 4.37Å; F244-F396 HydrophobicContact CE1-CG 4.36Å; F244-F396 AromaticContact CZ-CD2 3.87Å; F244-F396 HydrophobicContact CZ-CD2 3.87Å; F244-F396 HydrophobicContact CZ-CE2 4.32Å; F244-F399 HydrophobicContact CD1-CB 3.64Å; F244-F399 HydrophobicContact CD1-CD1 4.42Å; F244-F399 HydrophobicContact CD1-CD2 4.32Å; F244-F399 AromaticContact CD1-CG 3.88Å; F244-F399 HydrophobicContact CD1-CG 3.88Å; F244-F399 HydrophobicContact CE1-CB 3.54Å; F244-F399 AromaticContact CE1-CD1 3.52Å; F244-F399 HydrophobicContact CE1-CD1 3.52Å; F244-F399 HydrophobicContact CE1-CD2 4.07Å; F244-F399 HydrophobicContact CE1-CE1 4.21Å; F244-F399 AromaticContact CE1-CG 3.42Å; F244-F399 HydrophobicContact CE1-CG 3.42Å; F244-F399 VanDerWaalsContact CE1-CG 3.42Å; F244-F399 HydrophobicContact CZ-CD1 4.04Å; F244-F399 HydrophobicContact CZ-CE1 4.29Å; F244-F399 HydrophobicContact CZ-CG 4.22Å
245T92.3Very high95.5Very high86 Ų8619.5 Ų19.553%0.52811%0.106SC..  trans-111.3130.4177.2-62.20000108.3Q247 M395T245-Q247 VanDerWaalsContact O-CG 3.26Å; T245-Q247 WeakPolarHBondContact O-CG 3.4Å; T245-Q247 PolarHBondContact O-N 3.5Å; T245-Q247 PolarHBondContact O-NE2 2.85Å; T245-M395 VanDerWaalsContact O-CG 3.24Å; T245-M395 WeakPolarHBondContact O-CG 3.22Å
246W95.3Very high95.5Very high3 Ų322 Ų221%0.01112%0.118CC..  trans-56.5125.3174.3-178.3-96.7000111.4R96 A214 E217 R218 L241 H248 T249 P267 L269 M395R96-W246 VanDerWaalsContact CZ-O 3.31Å; R96-W246 PolarHBondContact NH1-O 3.33Å; R96-W246 PolarHBondContact NH2-O 3.37Å; A214-W246 WeakPolarHBondContact O-CZ3 3.44Å; E217-W246 HydrophobicContact CB-CH2 4.34Å; E217-W246 HydrophobicContact CB-CZ3 4.39Å; E217-W246 HydrophobicContact CG-CZ3 4.29Å; R218-W246 WeakPolarHBondContact O-CH2 3.32Å; L241-W246 HydrophobicContact CD1-CB 4.17Å; L241-W246 HydrophobicContact CD1-CE3 3.87Å; W246-H248 VanDerWaalsContact CD1-O 3.28Å; W246-H248 HydrophobicContact CZ2-CB 3.89Å; W246-H248 PolarHBondContact NE1-O 2.98Å; W246-T249 PolarHBondContact NE1-O 3.32Å; W246-T249 VanDerWaalsContact NE1-O 3.14Å; W246-P267 HydrophobicContact CH2-CB 4.11Å; W246-P267 HydrophobicContact CZ2-CB 4.02Å; W246-L269 HydrophobicContact CD2-CD1 3.74Å; W246-L269 HydrophobicContact CD2-CG 3.91Å; W246-L269 HydrophobicContact CE3-CD1 4Å; W246-L269 HydrophobicContact CE3-CG 4.22Å; W246-L269 HydrophobicContact CG-CD1 3.99Å; W246-L269 HydrophobicContact CG-CG 4.47Å; W246-L269 HydrophobicContact CH2-CD2 4.18Å; W246-L269 HydrophobicContact CH2-CG 4.09Å; W246-L269 HydrophobicContact CZ2-CD2 4.31Å; W246-L269 HydrophobicContact CZ2-CG 3.79Å; W246-L269 HydrophobicContact CZ3-CD1 4.45Å; W246-L269 HydrophobicContact CZ3-CD2 4.36Å; W246-L269 HydrophobicContact CZ3-CG 4.28Å; W246-M395 HydrophobicContact CE3-CE 4.12Å; W246-M395 HydrophobicContact CE3-SD 4.28Å; W246-M395 HydrophobicContact CZ3-CE 4.41Å
247Q93.6Very high95.4Very high70 Ų7027.9 Ų27.933%0.32715%0.148SC..  trans-102.8-14.5-170.1-60.9-61.4-30.200114.4T245 Q394 M395 L398T245-Q247 VanDerWaalsContact O-CG 3.26Å; T245-Q247 WeakPolarHBondContact O-CG 3.4Å; T245-Q247 PolarHBondContact O-N 3.5Å; T245-Q247 PolarHBondContact O-NE2 2.85Å; Q247-Q394 HydrophobicContact CB-CB 4.34Å; Q247-Q394 HydrophobicContact CB-CG 3.86Å; Q247-Q394 HydrophobicContact CG-CG 4.23Å; Q247-M395 HydrophobicContact CG-CG 4.03Å; Q247-L398 HydrophobicContact CB-CD1 4.29Å; Q247-L398 HydrophobicContact CG-CD1 3.64Å
248H95Very high95.2Very high44 Ų4431.2 Ų31.220%0.20417%0.165CC..SBendtrans-94.4-171.8-175-56.2-73.4000111.6R96 E217 W246 F250 P267R96-H248 PolarHBondContact NH2-O 2.98Å; R96-H248 VanDerWaalsContact NH2-O 3.11Å; E217-H248 IonicContact OE1-CD2 2.69Å; E217-H248 IonicContact OE1-NE2 2.69Å; E217-H248 PolarHBondContact OE1-NE2 3.27Å; E217-H248 IonicContact OE2-CD2 3.77Å; E217-H248 IonicContact OE2-CE1 3.09Å; E217-H248 IonicContact OE2-NE2 2.74Å; E217-H248 PolarHBondContact OE2-NE2 2.97Å; W246-H248 VanDerWaalsContact CD1-O 3.28Å; W246-H248 HydrophobicContact CZ2-CB 3.89Å; W246-H248 PolarHBondContact NE1-O 2.98Å; H248-F250 PolarHBondContact O-N 3.48Å; H248-P267 HydrophobicContact CB-CB 4.01Å; H248-P267 VanDerWaalsContact CB-O 3.23Å; H248-P267 WeakPolarHBondContact CB-O 3.23Å
249T95.8Very high95.2Very high49 Ų4930.8 Ų30.830%0.30116%0.16SC..EExtended strand (participates in β ladder)trans-52.7127.5176.7-59.10000110.6W246 I251 V261 Y268 L269 L270W246-T249 PolarHBondContact NE1-O 3.32Å; W246-T249 VanDerWaalsContact NE1-O 3.14Å; T249-I251 HydrophobicContact CG2-CD1 3.92Å; T249-I251 HydrophobicContact CG2-CG1 3.89Å; T249-V261 HydrophobicContact CG2-CG2 4.42Å; T249-Y268 CarbonylContact O-C 3.59Å; T249-Y268 VanDerWaalsContact O-CA 3.27Å; T249-Y268 WeakPolarHBondContact O-CA 3.42Å; T249-L269 PolarHBondContact O-N 3.5Å; T249-L270 HydrophobicContact CG2-CD2 4.21Å
250F96.4Very high95.3Very high5 Ų535.6 Ų35.62%0.02218%0.184CC..EExtended strand (participates in β ladder)trans-133.7108.9177.5-179.8-86.5000108.1V88 L234 A238 H248 L269V88-F250 HydrophobicContact CB-CD1 3.8Å; V88-F250 HydrophobicContact CB-CE1 4.01Å; V88-F250 HydrophobicContact CG1-CD1 4.1Å; V88-F250 HydrophobicContact CG2-CD1 3.78Å; V88-F250 HydrophobicContact CG2-CE1 3.49Å; V88-F250 VanDerWaalsContact CG2-CE1 3.49Å; L234-F250 HydrophobicContact CB-CE2 4.03Å; L234-F250 HydrophobicContact CB-CZ 3.86Å; L234-F250 HydrophobicContact CD2-CE2 4.42Å; A238-F250 HydrophobicContact CB-CE2 4.05Å; H248-F250 PolarHBondContact O-N 3.48Å; F250-L269 WeakPolarHBondContact CA-O 3.29Å; F250-L269 HydrophobicContact CD2-CB 3.82Å; F250-L269 HydrophobicContact CD2-CD1 3.94Å; F250-L269 HydrophobicContact CD2-CG 4.44Å; F250-L269 HydrophobicContact CE2-CB 4.29Å; F250-L269 HydrophobicContact CE2-CD1 4.15Å
251I96.9Very high95.2Very high24 Ų2437.3 Ų37.312%0.12320%0.195CC..EExtended strand (participates in β ladder)trans-12997.1178.8-53176.9000107.1F66 T249 I253 V254 V261 L269 L270 G271F66-I251 HydrophobicContact CE1-CG2 3.86Å; F66-I251 HydrophobicContact CZ-CG2 4.45Å; T249-I251 HydrophobicContact CG2-CD1 3.92Å; T249-I251 HydrophobicContact CG2-CG1 3.89Å; I251-I253 VanDerWaalsContact CG2-O 3.32Å; I251-I253 WeakPolarHBondContact CG2-O 3.36Å; I251-I253 PolarHBondContact O-N 3.33Å; I251-V254 HydrophobicContact CB-CG2 4.06Å; I251-V254 HydrophobicContact CG2-CB 4.44Å; I251-V254 HydrophobicContact CG2-CG2 3.81Å; I251-V261 HydrophobicContact CD1-CG1 4.27Å; I251-V261 HydrophobicContact CD1-CG2 4Å; I251-L269 PolarHBondContact N-O 3.2Å; I251-L270 HydrophobicContact CB-CD2 3.71Å; I251-L270 HydrophobicContact CD1-CD2 3.94Å; I251-L270 HydrophobicContact CG1-CD2 3.92Å; I251-L270 CarbonylContact O-C 3.53Å; I251-L270 WeakPolarHBondContact O-CA 3.4Å; I251-G271 PolarHBondContact O-N 3.34Å
252S95.3Very high95.1Very high0 Ų037.5 Ų37.50%020%0.196CC..SBendtrans-62.2-25.9-175.459.20000113.4S86 F87 G271S86-S252 PolarHBondContact O-OG 3.25Å; F87-S252 VanDerWaalsContact CA-OG 3.28Å; F87-S252 WeakPolarHBondContact CA-OG 3.44Å; S252-G271 WeakPolarHBondContact O-CA 3.43Å
253I97Very high95.1Very high0 Ų040.1 Ų40.10%021%0.211CC..SBendtrans-143.7110.4175.4-61.8164.4000107.8F66 P69 F85 L227 L230 I251 P255 G271F66-I253 WeakPolarHBondContact CD1-O 3.35Å; F66-I253 VanDerWaalsContact CE1-O 3.3Å; F66-I253 WeakPolarHBondContact CE1-O 3.31Å; P69-I253 HydrophobicContact CB-CG2 3.86Å; P69-I253 HydrophobicContact CG-CG2 3.71Å; F85-I253 HydrophobicContact CB-CD1 3.93Å; F85-I253 HydrophobicContact CD2-CD1 3.22Å; F85-I253 HydrophobicContact CE2-CD1 3.91Å; F85-I253 HydrophobicContact CG-CD1 3.8Å; L227-I253 HydrophobicContact CB-CD1 3.96Å; L227-I253 HydrophobicContact CD2-CD1 4.15Å; L227-I253 HydrophobicContact CD2-CG1 4.22Å; L227-I253 HydrophobicContact CD2-CG2 3.61Å; L230-I253 HydrophobicContact CB-CG1 4.45Å; I251-I253 VanDerWaalsContact CG2-O 3.32Å; I251-I253 WeakPolarHBondContact CG2-O 3.36Å; I251-I253 PolarHBondContact O-N 3.33Å; I253-P255 VanDerWaalsContact O-CD 3.3Å; I253-P255 WeakPolarHBondContact O-CD 3.42Å; I253-G271 CarbonylContact C-O 3.54Å; I253-G271 WeakPolarHBondContact CA-O 3.16Å
254V97.5Very high95.2Very high0 Ų040.2 Ų40.20%021%0.214CC..  trans-81.3116.9178178.60000109.2I251 L258 I259 V261 L270 G271 V272I251-V254 HydrophobicContact CB-CG2 4.06Å; I251-V254 HydrophobicContact CG2-CB 4.44Å; I251-V254 HydrophobicContact CG2-CG2 3.81Å; V254-L258 HydrophobicContact CG1-CB 4.42Å; V254-I259 HydrophobicContact CG1-CD1 4.42Å; V254-V261 HydrophobicContact CG1-CG1 3.92Å; V254-V261 HydrophobicContact CG2-CG1 4.24Å; V254-L270 HydrophobicContact CG2-CB 4Å; V254-L270 HydrophobicContact CG2-CD2 3.95Å; V254-L270 HydrophobicContact CG2-CG 4.4Å; V254-G271 PolarHBondContact N-O 3.08Å; V254-V272 HydrophobicContact CB-CG2 4.08Å; V254-V272 HydrophobicContact CG2-CG2 4.01Å
255P96.1Very high95.1Very high1 Ų145.6 Ų45.61%0.00625%0.249CC..  trans-61.4145.1168.5-21.334.7000111.1L65 F66 P69 I253 I257 L258 I259L65-P255 HydrophobicContact CB-CB 4.29Å; L65-P255 HydrophobicContact CB-CG 4.25Å; F66-P255 HydrophobicContact CD1-CG 3.81Å; F66-P255 HydrophobicContact CE1-CG 3.76Å; F66-P255 HydrophobicContact CE2-CG 4.46Å; F66-P255 HydrophobicContact CG-CG 4.19Å; F66-P255 HydrophobicContact CZ-CG 4.09Å; P69-P255 HydrophobicContact CB-CB 4.2Å; P69-P255 HydrophobicContact CB-CG 4.48Å; I253-P255 VanDerWaalsContact O-CD 3.3Å; I253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-I257 HydrophobicContact CB-CG2 4.16Å; P255-I257 PolarHBondContact O-N 3.46Å; P255-L258 HydrophobicContact CB-CG 4.38Å; P255-L258 HydrophobicContact CG-CD1 4.11Å; P255-L258 HydrophobicContact CG-CG 4.45Å; P255-L258 CarbonylContact O-C 3.52Å; P255-L258 WeakPolarHBondContact O-CA 3.48Å; P255-L258 PolarHBondContact O-N 2.8Å; P255-I259 PolarHBondContact O-N 3.45Å
256E94.8Very high95.2Very high62 Ų6244.8 Ų44.829%0.2924%0.244SC..G310 helixtrans-55.2-39.8-179.7179.3171.7-179.400112.7P69 L258 I259 R275 L276P69-E256 WeakPolarHBondContact O-CB 3.47Å; P69-E256 PolarHBondContact O-N 3.19Å; E256-L258 PolarHBondContact O-N 3.2Å; E256-L258 VanDerWaalsContact O-N 3.1Å; E256-I259 WeakPolarHBondContact O-CB 3.48Å; E256-I259 VanDerWaalsContact O-CG2 3.26Å; E256-I259 WeakPolarHBondContact O-CG2 3.2Å; E256-I259 PolarHBondContact O-N 3.14Å; E256-I259 VanDerWaalsContact O-N 3.11Å; E256-R275 IonicContact OE1-NH1 3.37Å; E256-R275 IonicContact OE2-CZ 3.8Å; E256-R275 IonicContact OE2-NH1 3.54Å; E256-R275 PolarHBondContact OE2-NH1 2.88Å; E256-R275 IonicContact OE2-NH2 2.71Å; E256-R275 PolarHBondContact OE2-NH2 2.84Å; E256-L276 HydrophobicContact CB-CD1 4.1Å; E256-L276 HydrophobicContact CB-CD2 4.47Å; E256-L276 HydrophobicContact CG-CD1 4.39Å; E256-L276 HydrophobicContact CG-CD2 3.95Å
257I93.8Very high95.3Very high125 Ų12546 Ų4664%0.64125%0.253SS*.G310 helixtrans-64.1-16177.1-165.861.4000113.4L65 P255L65-I257 HydrophobicContact CD1-CG2 3.99Å; L65-I257 HydrophobicContact CD2-CG2 4.16Å; P255-I257 HydrophobicContact CB-CG2 4.16Å; P255-I257 PolarHBondContact O-N 3.46Å
258L95.5Very high95.5Very high70 Ų7042.7 Ų42.737%0.36624%0.238SC..G310 helixtrans-109.312.2179.1-58-174.5000112.6F66 V254 P255 E256 D260 V261F66-L258 HydrophobicContact CZ-CD1 4.35Å; V254-L258 HydrophobicContact CG1-CB 4.42Å; P255-L258 HydrophobicContact CB-CG 4.38Å; P255-L258 HydrophobicContact CG-CD1 4.11Å; P255-L258 HydrophobicContact CG-CG 4.45Å; P255-L258 CarbonylContact O-C 3.52Å; P255-L258 WeakPolarHBondContact O-CA 3.48Å; P255-L258 PolarHBondContact O-N 2.8Å; E256-L258 PolarHBondContact O-N 3.2Å; E256-L258 VanDerWaalsContact O-N 3.1Å; L258-D260 PolarHBondContact O-N 3.29Å; L258-D260 VanDerWaalsContact O-N 3.13Å; L258-V261 WeakPolarHBondContact O-CB 3.3Å; L258-V261 WeakPolarHBondContact O-CG1 3.37Å; L258-V261 PolarHBondContact O-N 2.98Å
259I95.4Very high95.7Very high14 Ų1440.6 Ų40.67%0.07223%0.228CC..G310 helixtrans-57.3-31.6-174.3-168.156.8000113.1V254 P255 E256 V261 V262 V272 L276 Q279 V280V254-I259 HydrophobicContact CG1-CD1 4.42Å; P255-I259 PolarHBondContact O-N 3.45Å; E256-I259 WeakPolarHBondContact O-CB 3.48Å; E256-I259 VanDerWaalsContact O-CG2 3.26Å; E256-I259 WeakPolarHBondContact O-CG2 3.2Å; E256-I259 PolarHBondContact O-N 3.14Å; E256-I259 VanDerWaalsContact O-N 3.11Å; I259-V261 PolarHBondContact O-N 3.41Å; I259-V262 HydrophobicContact CD1-CG1 4.23Å; I259-V262 WeakPolarHBondContact O-CG1 3.38Å; I259-V262 VanDerWaalsContact O-CG2 3.28Å; I259-V262 WeakPolarHBondContact O-CG2 3.34Å; I259-V262 PolarHBondContact O-N 3.22Å; I259-V262 VanDerWaalsContact O-N 3.09Å; I259-V272 HydrophobicContact CD1-CG1 4.05Å; I259-V272 HydrophobicContact CD1-CG2 4.36Å; I259-L276 HydrophobicContact CD1-CB 4.38Å; I259-L276 HydrophobicContact CD1-CD1 4.14Å; I259-Q279 HydrophobicContact CG1-CB 4.08Å; I259-V280 HydrophobicContact CD1-CG1 3.82Å
260D95.4Very high95.8Very high112 Ų11238.3 Ų38.360%0.59921%0.214SC*.G310 helixtrans-56.7-17.4177.9-70.1-24.4000114L258 V262 M263L258-D260 PolarHBondContact O-N 3.29Å; L258-D260 VanDerWaalsContact O-N 3.13Å; D260-V262 PolarHBondContact O-N 2.86Å; D260-V262 VanDerWaalsContact O-N 3.11Å; D260-M263 HydrophobicContact CB-CE 3.57Å; D260-M263 WeakPolarHBondContact O-CB 3.32Å; D260-M263 PolarHBondContact O-N 3.38Å; D260-M263 WeakPolarHBondContact OD1-CE 3.42Å
261V95.2Very high95.9Very high39 Ų3938 Ų3824%0.23621%0.212CC..G310 helixtrans-56.4-24.9174.274.80000113T249 I251 V254 L258 I259 M263 A264 L270T249-V261 HydrophobicContact CG2-CG2 4.42Å; I251-V261 HydrophobicContact CD1-CG1 4.27Å; I251-V261 HydrophobicContact CD1-CG2 4Å; V254-V261 HydrophobicContact CG1-CG1 3.92Å; V254-V261 HydrophobicContact CG2-CG1 4.24Å; L258-V261 WeakPolarHBondContact O-CB 3.3Å; L258-V261 WeakPolarHBondContact O-CG1 3.37Å; L258-V261 PolarHBondContact O-N 2.98Å; I259-V261 PolarHBondContact O-N 3.41Å; V261-M263 PolarHBondContact O-N 3.38Å; V261-A264 VanDerWaalsContact O-CB 3.24Å; V261-A264 WeakPolarHBondContact O-CB 3.47Å; V261-A264 PolarHBondContact O-N 3.45Å; V261-L270 HydrophobicContact CG1-CD1 3.95Å; V261-L270 HydrophobicContact CG1-CD2 4.21Å
262V95.4Very high96Very high3 Ų336.9 Ų36.92%0.01821%0.207CC..G310 helixtrans-63.3-19.9176.5-58.20000113I221 I259 D260 A264 Y268 L270 V280I221-V262 HydrophobicContact CD1-CB 4.03Å; I221-V262 HydrophobicContact CD1-CG1 3.84Å; I259-V262 HydrophobicContact CD1-CG1 4.23Å; I259-V262 WeakPolarHBondContact O-CG1 3.38Å; I259-V262 VanDerWaalsContact O-CG2 3.28Å; I259-V262 WeakPolarHBondContact O-CG2 3.34Å; I259-V262 PolarHBondContact O-N 3.22Å; I259-V262 VanDerWaalsContact O-N 3.09Å; D260-V262 PolarHBondContact O-N 2.86Å; D260-V262 VanDerWaalsContact O-N 3.11Å; V262-A264 VanDerWaalsContact C-N 3.25Å; V262-A264 PolarHBondContact O-N 2.84Å; V262-Y268 PolarHBondContact O-OH 2.84Å; V262-L270 HydrophobicContact CB-CD1 4.45Å; V262-L270 HydrophobicContact CG1-CD1 3.85Å; V262-V280 HydrophobicContact CB-CG1 4.45Å; V262-V280 HydrophobicContact CG1-CG1 3.83Å; V262-V280 HydrophobicContact CG2-CG1 4.31Å
263M93.9Very high96Very high109 Ų10937.4 Ų37.454%0.53721%0.209SC..G310 helixtrans-82.2-1.8176.8-61.2-174.2-76.900113.1D260 V261D260-M263 HydrophobicContact CB-CE 3.57Å; D260-M263 WeakPolarHBondContact O-CB 3.32Å; D260-M263 PolarHBondContact O-N 3.38Å; D260-M263 WeakPolarHBondContact OD1-CE 3.42Å; V261-M263 PolarHBondContact O-N 3.38Å
264A94.1Very high95.9Very high22 Ų2240 Ų4018%0.18222%0.22CC..  trans-59134.3-179.600000111.2R219 V261 V262 T266 Y268R219-A264 WeakPolarHBondContact CD-O 3.3Å; V261-A264 VanDerWaalsContact O-CB 3.24Å; V261-A264 WeakPolarHBondContact O-CB 3.47Å; V261-A264 PolarHBondContact O-N 3.45Å; V262-A264 VanDerWaalsContact C-N 3.25Å; V262-A264 PolarHBondContact O-N 2.84Å; A264-T266 VanDerWaalsContact C-N 3.27Å; A264-T266 PolarHBondContact O-N 2.89Å; A264-Y268 HydrophobicContact CB-CD1 4.15Å; A264-Y268 HydrophobicContact CB-CE1 4.29Å; A264-Y268 WeakPolarHBondContact O-CE1 3.38Å
265P93.1Very high95.7Very high119 Ų11945.1 Ų45.177%0.77324%0.239SC*.SBendtrans-78.4-15.1-179.432.2-36000112.6
266T94.5Very high95.7Very high69 Ų6945.2 Ų45.242%0.42324%0.24SC..SBendtrans-83.6158.8179.854.90000111.2R219 A264 Y268R219-T266 WeakPolarHBondContact CG-O 3.28Å; A264-T266 VanDerWaalsContact C-N 3.27Å; A264-T266 PolarHBondContact O-N 2.89Å; T266-Y268 VanDerWaalsContact O-CD1 3.26Å; T266-Y268 WeakPolarHBondContact O-CD1 3.48Å
267P97.4Very high95.7Very high30 Ų3043.8 Ų43.820%0.19523%0.234CC..  trans-54.2149.7172-26.236.9000112.4E217 W246 H248E217-P267 HydrophobicContact CB-CB 4.12Å; E217-P267 HydrophobicContact CB-CG 4.04Å; E217-P267 WeakPolarHBondContact O-CB 3.5Å; E217-P267 WeakPolarHBondContact O-CG 3.33Å; W246-P267 HydrophobicContact CH2-CB 4.11Å; W246-P267 HydrophobicContact CZ2-CB 4.02Å; H248-P267 HydrophobicContact CB-CB 4.01Å; H248-P267 VanDerWaalsContact CB-O 3.23Å; H248-P267 WeakPolarHBondContact CB-O 3.23Å
268Y97.8Very high95.7Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-157.2157.7174.251.7-113.8000111.7R219 I220 I221 T249 V262 A264 T266 L270 L286R219-Y268 HydrophobicContact CB-CD1 4.41Å; R219-Y268 HydrophobicContact CB-CD2 4.16Å; R219-Y268 HydrophobicContact CB-CE1 3.94Å; R219-Y268 HydrophobicContact CB-CE2 3.65Å; R219-Y268 VanDerWaalsContact CD-CE1 3.46Å; R219-Y268 HydrophobicContact CG-CD1 3.86Å; R219-Y268 HydrophobicContact CG-CD2 4.45Å; R219-Y268 HydrophobicContact CG-CE1 3.55Å; R219-Y268 HydrophobicContact CG-CE2 4.17Å; R219-Y268 HydrophobicContact CG-CG 4.32Å; I220-Y268 PolarHBondContact N-O 3.02Å; I221-Y268 HydrophobicContact CD1-CE2 4.15Å; I221-Y268 HydrophobicContact CG1-CE2 3.65Å; T249-Y268 CarbonylContact O-C 3.59Å; T249-Y268 VanDerWaalsContact O-CA 3.27Å; T249-Y268 WeakPolarHBondContact O-CA 3.42Å; V262-Y268 PolarHBondContact O-OH 2.84Å; A264-Y268 HydrophobicContact CB-CD1 4.15Å; A264-Y268 HydrophobicContact CB-CE1 4.29Å; A264-Y268 WeakPolarHBondContact O-CE1 3.38Å; T266-Y268 VanDerWaalsContact O-CD1 3.26Å; T266-Y268 WeakPolarHBondContact O-CD1 3.48Å; Y268-L270 HydrophobicContact CD1-CD1 4.34Å; Y268-L270 HydrophobicContact CD2-CB 4.34Å; Y268-L270 HydrophobicContact CD2-CD1 3.51Å; Y268-L270 HydrophobicContact CD2-CG 3.49Å; Y268-L270 VanDerWaalsContact CD2-CG 3.49Å; Y268-L270 HydrophobicContact CE1-CD1 4.46Å; Y268-L270 HydrophobicContact CE2-CD1 3.68Å; Y268-L270 HydrophobicContact CE2-CG 4.11Å; Y268-L270 HydrophobicContact CG-CD1 3.86Å; Y268-L270 HydrophobicContact CG-CG 3.89Å; Y268-L286 VanDerWaalsContact OH-CD2 3.29Å; Y268-L286 WeakPolarHBondContact OH-CD2 3.12Å
269L98.3Very high95.6Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-116.5114.3162.1-63.8-179.8000107.9I220 L234 W246 T249 F250 I251I220-L269 HydrophobicContact CB-CD2 3.76Å; I220-L269 HydrophobicContact CD1-CD2 3.77Å; I220-L269 HydrophobicContact CG1-CD2 3.97Å; L234-L269 HydrophobicContact CD2-CB 4.28Å; W246-L269 HydrophobicContact CD2-CD1 3.74Å; W246-L269 HydrophobicContact CD2-CG 3.91Å; W246-L269 HydrophobicContact CE3-CD1 4Å; W246-L269 HydrophobicContact CE3-CG 4.22Å; W246-L269 HydrophobicContact CG-CD1 3.99Å; W246-L269 HydrophobicContact CG-CG 4.47Å; W246-L269 HydrophobicContact CH2-CD2 4.18Å; W246-L269 HydrophobicContact CH2-CG 4.09Å; W246-L269 HydrophobicContact CZ2-CD2 4.31Å; W246-L269 HydrophobicContact CZ2-CG 3.79Å; W246-L269 HydrophobicContact CZ3-CD1 4.45Å; W246-L269 HydrophobicContact CZ3-CD2 4.36Å; W246-L269 HydrophobicContact CZ3-CG 4.28Å; T249-L269 PolarHBondContact O-N 3.5Å; F250-L269 WeakPolarHBondContact CA-O 3.29Å; F250-L269 HydrophobicContact CD2-CB 3.82Å; F250-L269 HydrophobicContact CD2-CD1 3.94Å; F250-L269 HydrophobicContact CD2-CG 4.44Å; F250-L269 HydrophobicContact CE2-CB 4.29Å; F250-L269 HydrophobicContact CE2-CD1 4.15Å; I251-L269 PolarHBondContact N-O 3.2Å
270L98.4Very high95.4Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-123.3138.4-177.3-58.7177.1000111I220 I221 F222 L234 T249 I251 V254 V261 V262 Y268I220-L270 PolarHBondContact O-N 2.98Å; I221-L270 CarbonylContact C-O 3.6Å; I221-L270 WeakPolarHBondContact CA-O 3.39Å; I221-L270 HydrophobicContact CG1-CB 4.37Å; I221-L270 HydrophobicContact CG1-CD1 4.48Å; F222-L270 PolarHBondContact N-O 3.24Å; L234-L270 VanDerWaalsContact CD2-C 3.44Å; T249-L270 HydrophobicContact CG2-CD2 4.21Å; I251-L270 HydrophobicContact CB-CD2 3.71Å; I251-L270 HydrophobicContact CD1-CD2 3.94Å; I251-L270 HydrophobicContact CG1-CD2 3.92Å; I251-L270 CarbonylContact O-C 3.53Å; I251-L270 WeakPolarHBondContact O-CA 3.4Å; V254-L270 HydrophobicContact CG2-CB 4Å; V254-L270 HydrophobicContact CG2-CD2 3.95Å; V254-L270 HydrophobicContact CG2-CG 4.4Å; V261-L270 HydrophobicContact CG1-CD1 3.95Å; V261-L270 HydrophobicContact CG1-CD2 4.21Å; V262-L270 HydrophobicContact CB-CD1 4.45Å; V262-L270 HydrophobicContact CG1-CD1 3.85Å; Y268-L270 HydrophobicContact CD1-CD1 4.34Å; Y268-L270 HydrophobicContact CD2-CB 4.34Å; Y268-L270 HydrophobicContact CD2-CD1 3.51Å; Y268-L270 HydrophobicContact CD2-CG 3.49Å; Y268-L270 VanDerWaalsContact CD2-CG 3.49Å; Y268-L270 HydrophobicContact CE1-CD1 4.46Å; Y268-L270 HydrophobicContact CE2-CD1 3.68Å; Y268-L270 HydrophobicContact CE2-CG 4.11Å; Y268-L270 HydrophobicContact CG-CD1 3.86Å; Y268-L270 HydrophobicContact CG-CG 3.89Å
271G98.4Very high95Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-109.2121.2168.400000109.8I251 S252 I253 V254I251-G271 PolarHBondContact O-N 3.34Å; S252-G271 WeakPolarHBondContact O-CA 3.43Å; I253-G271 CarbonylContact C-O 3.54Å; I253-G271 WeakPolarHBondContact CA-O 3.16Å; V254-G271 PolarHBondContact N-O 3.08Å
272V97.8Very high94.4Very high0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-122.3133.2-174.5174.10000108.9I221 F222 I223 A224 V254 I259 L276 V280I221-V272 HydrophobicContact CG2-CB 4.12Å; I221-V272 HydrophobicContact CG2-CG2 3.82Å; F222-V272 PolarHBondContact O-N 2.96Å; I223-V272 WeakPolarHBondContact CA-O 3.44Å; I223-V272 HydrophobicContact CD1-CB 3.76Å; I223-V272 HydrophobicContact CD1-CG1 4.01Å; A224-V272 PolarHBondContact N-O 2.87Å; V254-V272 HydrophobicContact CB-CG2 4.08Å; V254-V272 HydrophobicContact CG2-CG2 4.01Å; I259-V272 HydrophobicContact CD1-CG1 4.05Å; I259-V272 HydrophobicContact CD1-CG2 4.36Å; V272-L276 HydrophobicContact CG1-CB 3.78Å; V272-L276 HydrophobicContact CG1-CD1 4.41Å; V272-V280 HydrophobicContact CG1-CG1 4.2Å
273Q96.1Very high93.7Very high11 Ų1149.3 Ų49.35%0.05126%0.262CS..EExtended strand (participates in β ladder)trans-65.4138.8176.2-72.1-177.7-57.400110.4E70 A224 L227 L230 R275 L276E70-Q273 PolarHBondContact OE1-NE2 3.08Å; A224-Q273 CarbonylContact O-C 3.54Å; A224-Q273 WeakPolarHBondContact O-CA 3.36Å; L227-Q273 HydrophobicContact CD2-CG 3.57Å; L227-Q273 VanDerWaalsContact CD2-NE2 3.3Å; L230-Q273 HydrophobicContact CD1-CG 4.33Å; Q273-R275 HydrophobicContact CB-CG 4.12Å; Q273-R275 PolarHBondContact O-N 2.88Å; Q273-L276 WeakPolarHBondContact O-CB 3.5Å; Q273-L276 PolarHBondContact O-N 3.46Å
274K95.2Very high93.1Very high54 Ų5447.9 Ų47.924%0.23526%0.262CS..G310 helixtrans-53.9-30.5-177-169.8176.4-171.7165.50114.9I223 A224 E225 L276 L277 S292I223-K274 HydrophobicContact CG2-CB 3.81Å; I223-K274 HydrophobicContact CG2-CG 3.94Å; A224-K274 PolarHBondContact O-N 3.17Å; E225-K274 HydrophobicContact CG-CB 4.25Å; E225-K274 HydrophobicContact CG-CD 3.82Å; E225-K274 WeakPolarHBondContact OE1-CD 3.25Å; E225-K274 WeakPolarHBondContact OE1-CE 3.39Å; E225-K274 IonicContact OE1-NZ 3.95Å; E225-K274 PolarHBondContact OE1-NZ 3.41Å; K274-L276 PolarHBondContact O-N 3.31Å; K274-L276 VanDerWaalsContact O-N 3.11Å; K274-L277 WeakPolarHBondContact O-CB 3.36Å; K274-L277 PolarHBondContact O-N 3.21Å; K274-S292 WeakPolarHBondContact CD-OG 3.26Å; K274-S292 WeakPolarHBondContact CE-OG 3.3Å; K274-S292 PolarHBondContact NZ-OG 2.97Å
275R94.1Very high92.9Very high107 Ų10752 Ų5240%0.40428%0.281SS..G310 helixtrans-59.9-19.4174.372.7-172.3177.677.512.5114.1P69 E70 E256 Q273P69-R275 PolarHBondContact O-NH2 3.33Å; E70-R275 VanDerWaalsContact CA-NH2 3.27Å; E256-R275 IonicContact OE1-NH1 3.37Å; E256-R275 IonicContact OE2-CZ 3.8Å; E256-R275 IonicContact OE2-NH1 3.54Å; E256-R275 PolarHBondContact OE2-NH1 2.88Å; E256-R275 IonicContact OE2-NH2 2.71Å; E256-R275 PolarHBondContact OE2-NH2 2.84Å; Q273-R275 HydrophobicContact CB-CG 4.12Å; Q273-R275 PolarHBondContact O-N 2.88Å
276L95.1Very high93Very high3 Ų346.3 Ų46.32%0.01624%0.244CC..G310 helixtrans-101.69.3177.5-57.9178.7000112.3E256 I259 V272 Q273 K274 D278 Q279E256-L276 HydrophobicContact CB-CD1 4.1Å; E256-L276 HydrophobicContact CB-CD2 4.47Å; E256-L276 HydrophobicContact CG-CD1 4.39Å; E256-L276 HydrophobicContact CG-CD2 3.95Å; I259-L276 HydrophobicContact CD1-CB 4.38Å; I259-L276 HydrophobicContact CD1-CD1 4.14Å; V272-L276 HydrophobicContact CG1-CB 3.78Å; V272-L276 HydrophobicContact CG1-CD1 4.41Å; Q273-L276 WeakPolarHBondContact O-CB 3.5Å; Q273-L276 PolarHBondContact O-N 3.46Å; K274-L276 PolarHBondContact O-N 3.31Å; K274-L276 VanDerWaalsContact O-N 3.11Å; L276-D278 VanDerWaalsContact C-N 3.28Å; L276-D278 PolarHBondContact O-N 3.41Å; L276-Q279 WeakPolarHBondContact O-CB 3.23Å; L276-Q279 PolarHBondContact O-N 2.93Å
277L94.7Very high93.2Very high33 Ų3343.1 Ų43.117%0.17322%0.224CC..G310 helixtrans-53.7-44.9-176.5175.660.6000112.2I223 K274 Q279 V280 T281 L288 L300I223-L277 HydrophobicContact CD1-CD1 4.15Å; I223-L277 HydrophobicContact CG1-CD1 4.03Å; I223-L277 HydrophobicContact CG2-CD1 4.4Å; K274-L277 WeakPolarHBondContact O-CB 3.36Å; K274-L277 PolarHBondContact O-N 3.21Å; L277-Q279 PolarHBondContact O-N 3.04Å; L277-Q279 VanDerWaalsContact O-N 3.1Å; L277-V280 HydrophobicContact CD1-CG2 4.17Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.15Å; L277-T281 HydrophobicContact CD1-CG2 3.76Å; L277-T281 HydrophobicContact CG-CG2 3.95Å; L277-T281 WeakPolarHBondContact O-CG2 3.23Å; L277-T281 PolarHBondContact O-N 3.24Å; L277-L288 HydrophobicContact CD1-CD2 4.12Å; L277-L300 HydrophobicContact CD1-CD1 3.68Å; L277-L300 HydrophobicContact CD2-CD1 4.22Å
278D93.9Very high93.2Very high133 Ų13341.7 Ų41.771%0.71122%0.215SC*.G310 helixtrans-61.9-22.3-178.6-60.4-24.8000113L276 V280 T281L276-D278 VanDerWaalsContact C-N 3.28Å; L276-D278 PolarHBondContact O-N 3.41Å; D278-V280 VanDerWaalsContact C-N 3.3Å; D278-T281 PolarHBondContact O-OG1 3.49Å
279Q92.9Very high93.2Very high96 Ų9641.7 Ų41.745%0.44922%0.215SC..G310 helixtrans-81.4-11.1177.9-57.9-175.134.200112.7I259 L276 L277I259-Q279 HydrophobicContact CG1-CB 4.08Å; L276-Q279 WeakPolarHBondContact O-CB 3.23Å; L276-Q279 PolarHBondContact O-N 2.93Å; L277-Q279 PolarHBondContact O-N 3.04Å; L277-Q279 VanDerWaalsContact O-N 3.1Å
280V92.4Very high93.2Very high0 Ų042.1 Ų42.10%022%0.217CC..THydrogen-bonded Turntrans-118.2-11.4-174.9-52.60000114.1I221 I223 I259 V262 V272 L277 D278 D282 Q283 L288I221-V280 HydrophobicContact CD1-CB 4.29Å; I223-V280 HydrophobicContact CD1-CG2 3.95Å; I259-V280 HydrophobicContact CD1-CG1 3.82Å; V262-V280 HydrophobicContact CB-CG1 4.45Å; V262-V280 HydrophobicContact CG1-CG1 3.83Å; V262-V280 HydrophobicContact CG2-CG1 4.31Å; V272-V280 HydrophobicContact CG1-CG1 4.2Å; L277-V280 HydrophobicContact CD1-CG2 4.17Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.15Å; D278-V280 VanDerWaalsContact C-N 3.3Å; V280-D282 VanDerWaalsContact C-N 3.34Å; V280-D282 PolarHBondContact O-N 2.91Å; V280-Q283 WeakPolarHBondContact O-CG 2.98Å; V280-L288 HydrophobicContact CG2-CD1 4.1Å; V280-L288 HydrophobicContact CG2-CD2 4.36Å
281T86.6Confident93.2Very high54 Ų5442.3 Ų42.333%0.33122%0.218SC..THydrogen-bonded Turntrans-70.5-24.3-175.341.10000114.5L277 D278 Q283 L288L277-T281 HydrophobicContact CD1-CG2 3.76Å; L277-T281 HydrophobicContact CG-CG2 3.95Å; L277-T281 WeakPolarHBondContact O-CG2 3.23Å; L277-T281 PolarHBondContact O-N 3.24Å; D278-T281 PolarHBondContact O-OG1 3.49Å; T281-Q283 PolarHBondContact O-N 3.38Å; T281-L288 HydrophobicContact CG2-CD2 4.25Å
282D82.7Confident93Very high148 Ų14842.4 Ų42.479%0.79122%0.219SC*.THydrogen-bonded Turntrans-79.55.7-175.4-69.7-12.7000114.1V280V280-D282 VanDerWaalsContact C-N 3.34Å; V280-D282 PolarHBondContact O-N 2.91Å
283Q80.4Confident92.5Very high48 Ų4851.1 Ų51.122%0.22426%0.257CS..  trans-90131.9-175.1-58.8-61.7-42.600112.1V280 T281 L286V280-Q283 WeakPolarHBondContact O-CG 2.98Å; T281-Q283 PolarHBondContact O-N 3.38Å; Q283-L286 HydrophobicContact CB-CD2 3.42Å; Q283-L286 VanDerWaalsContact CB-CD2 3.42Å; Q283-L286 HydrophobicContact CB-CG 4.09Å; Q283-L286 HydrophobicContact CG-CD2 4.14Å
284S82.1Confident92.1Very high78 Ų7856.3 Ų56.355%0.54529%0.285SS..  trans-94.5163.2171.673.30000112.5R219 L286R219-S284 PolarHBondContact NH2-O 3.44Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 2.98Å
285D89.2Confident91.9Very high109 Ų10956 Ų5658%0.58328%0.284SS*.SBendtrans58.440.3173-47.3-68.5000113.9R219R219-D285 PolarHBondContact NE-O 3.11Å; R219-D285 VanDerWaalsContact NH2-CB 3.3Å; R219-D285 PolarHBondContact NH2-O 2.89Å
286L95.3Very high91.8Very high0 Ų060.7 Ų60.70%031%0.31CS..SBendtrans-137.6167.4171.466.370.9000111R219 I221 Y268 Q283 S284 L288 V301R219-L286 HydrophobicContact CB-CB 3.73Å; R219-L286 WeakPolarHBondContact O-CA 3.38Å; R219-L286 WeakPolarHBondContact O-CB 3.47Å; I221-L286 HydrophobicContact CD1-CD2 3.78Å; I221-L286 HydrophobicContact CG1-CD2 4.31Å; Y268-L286 VanDerWaalsContact OH-CD2 3.29Å; Y268-L286 WeakPolarHBondContact OH-CD2 3.12Å; Q283-L286 HydrophobicContact CB-CD2 3.42Å; Q283-L286 VanDerWaalsContact CB-CD2 3.42Å; Q283-L286 HydrophobicContact CB-CG 4.09Å; Q283-L286 HydrophobicContact CG-CD2 4.14Å; S284-L286 VanDerWaalsContact C-N 3.33Å; S284-L286 PolarHBondContact O-N 2.98Å; L286-L288 HydrophobicContact CD1-CB 3.75Å; L286-V301 HydrophobicContact CD1-CB 4.14Å; L286-V301 HydrophobicContact CD1-CG1 4.21Å
287L97.5Very high91.7Very high1 Ų166.2 Ų66.21%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-103.5116.7170.1-173.870.6000109.1V210 A213 R219 I220 I221 V289 F299 T302 E306V210-L287 HydrophobicContact CG2-CD2 4.3Å; A213-L287 HydrophobicContact CB-CD2 3.68Å; R219-L287 PolarHBondContact O-N 3.13Å; I220-L287 WeakPolarHBondContact CA-O 3.37Å; I220-L287 HydrophobicContact CG1-CB 4.33Å; I220-L287 HydrophobicContact CG2-CB 4.24Å; I220-L287 HydrophobicContact CG2-CD2 4.2Å; I220-L287 HydrophobicContact CG2-CG 4.46Å; I221-L287 PolarHBondContact N-O 3.43Å; L287-V289 HydrophobicContact CD2-CG2 3.98Å; L287-V289 HydrophobicContact CG-CG2 3.86Å; L287-F299 HydrophobicContact CD1-CD1 3.67Å; L287-F299 HydrophobicContact CD1-CE1 4.16Å; L287-F299 HydrophobicContact CD1-CG 4.48Å; L287-F299 HydrophobicContact CD2-CE1 4.33Å; L287-F299 HydrophobicContact CG-CD1 4.23Å; L287-F299 HydrophobicContact CG-CE1 4.5Å; L287-T302 HydrophobicContact CD1-CG2 4.22Å; L287-E306 HydrophobicContact CD1-CG 4.27Å
288L97.9Very high91.8Very high0 Ų065.1 Ų65.10%033%0.329CS..EExtended strand (participates in β ladder)trans-107.2114.2177-175.362.3000109.5I221 I223 L277 V280 T281 L286 F299 L300 V301I221-L288 HydrophobicContact CB-CD1 3.6Å; I221-L288 HydrophobicContact CG2-CD1 3.62Å; I221-L288 WeakPolarHBondContact O-CA 3.48Å; I223-L288 HydrophobicContact CD1-CD1 3.93Å; I223-L288 HydrophobicContact CG1-CD1 3.57Å; I223-L288 HydrophobicContact CG1-CG 4.34Å; L277-L288 HydrophobicContact CD1-CD2 4.12Å; V280-L288 HydrophobicContact CG2-CD1 4.1Å; V280-L288 HydrophobicContact CG2-CD2 4.36Å; T281-L288 HydrophobicContact CG2-CD2 4.25Å; L286-L288 HydrophobicContact CD1-CB 3.75Å; L288-F299 CarbonylContact O-C 3.58Å; L288-F299 WeakPolarHBondContact O-CA 3.4Å; L288-L300 HydrophobicContact CB-CB 4.24Å; L288-L300 HydrophobicContact CD2-CB 3.79Å; L288-L300 HydrophobicContact CD2-CD1 4Å; L288-L300 HydrophobicContact CD2-CG 4.49Å; L288-L300 HydrophobicContact CG-CB 3.95Å; L288-L300 HydrophobicContact CG-CD1 4.16Å; L288-L300 HydrophobicContact CG-CG 4.48Å; L288-L300 PolarHBondContact O-N 3.35Å; L288-V301 HydrophobicContact CB-CB 3.76Å; L288-V301 HydrophobicContact CB-CG2 3.97Å; L288-V301 HydrophobicContact CD2-CG2 4.02Å; L288-V301 PolarHBondContact N-O 3.01Å
289V98.3Very high92Very high0 Ų059.7 Ų59.70%030%0.299CS..EExtended strand (participates in β ladder)trans-113115.9-171-170.60000110.2L202 V210 I220 I221 F222 I223 L287 L291 T298 F299L202-V289 HydrophobicContact CD1-CG1 4.48Å; L202-V289 HydrophobicContact CD2-CG1 3.94Å; V210-V289 HydrophobicContact CG2-CG1 4.4Å; V210-V289 HydrophobicContact CG2-CG2 4.05Å; I220-V289 HydrophobicContact CG2-CG2 4.2Å; I221-V289 PolarHBondContact O-N 3.21Å; F222-V289 CarbonylContact C-O 3.59Å; F222-V289 WeakPolarHBondContact CA-O 3.28Å; F222-V289 HydrophobicContact CD1-CB 3.74Å; F222-V289 HydrophobicContact CD1-CG1 4.01Å; F222-V289 HydrophobicContact CD1-CG2 4.2Å; F222-V289 HydrophobicContact CE1-CB 4.05Å; F222-V289 HydrophobicContact CE1-CG1 4.18Å; F222-V289 HydrophobicContact CE1-CG2 4.06Å; I223-V289 PolarHBondContact N-O 3.49Å; L287-V289 HydrophobicContact CD2-CG2 3.98Å; L287-V289 HydrophobicContact CG-CG2 3.86Å; V289-L291 HydrophobicContact CG1-CD2 4.05Å; V289-T298 CarbonylContact C-O 3.04Å; V289-T298 WeakPolarHBondContact CA-O 3.34Å; V289-T298 HydrophobicContact CG1-CG2 4.01Å; V289-F299 HydrophobicContact CG1-CE1 4.32Å; V289-F299 HydrophobicContact CG2-CD1 4.05Å; V289-F299 HydrophobicContact CG2-CE1 4.02Å
290D98Very high92.1Very high9 Ų958.1 Ų58.15%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-84.5123.5171.3-165.4-7.5000110.4S292 K295 T298 L300D290-S292 WeakPolarHBondContact OD1-CB 3.18Å; D290-S292 PolarHBondContact OD1-N 2.65Å; D290-S292 PolarHBondContact OD1-OG 2.96Å; D290-K295 HydrophobicContact CB-CB 4.19Å; D290-K295 HydrophobicContact CB-CD 4.23Å; D290-K295 WeakPolarHBondContact O-CD 3.44Å; D290-K295 PolarHBondContact O-NZ 3.44Å; D290-K295 WeakPolarHBondContact OD2-CB 3.46Å; D290-T298 PolarHBondContact N-O 2.92Å; D290-L300 HydrophobicContact CB-CD1 4.15Å; D290-L300 HydrophobicContact CB-CD2 4.4Å; D290-L300 HydrophobicContact CB-CG 4.15Å
291L98Very high92.2Very high4 Ų459.7 Ų59.72%0.02130%0.303CS..  trans-102.51.8178-55.4174.7000112.2C201 L202 F222 I223 A224 T229 L230 V233 V289C201-L291 HydrophobicContact CB-CB 4.19Å; C201-L291 HydrophobicContact CB-CD2 3.85Å; L202-L291 HydrophobicContact CD1-CD2 4.16Å; L202-L291 HydrophobicContact CD2-CD2 3.98Å; L202-L291 HydrophobicContact CG-CD2 4Å; F222-L291 HydrophobicContact CB-CD1 3.82Å; F222-L291 HydrophobicContact CB-CG 4.39Å; F222-L291 HydrophobicContact CD1-CD1 4.04Å; F222-L291 HydrophobicContact CD1-CD2 4.1Å; F222-L291 HydrophobicContact CD1-CG 4.26Å; F222-L291 HydrophobicContact CG-CD1 4.31Å; I223-L291 WeakPolarHBondContact O-CA 3.05Å; I223-L291 VanDerWaalsContact O-CB 3.28Å; I223-L291 WeakPolarHBondContact O-CB 3.44Å; I223-L291 PolarHBondContact O-N 3.18Å; A224-L291 HydrophobicContact CB-CB 4.05Å; A224-L291 HydrophobicContact CB-CD1 4.49Å; T229-L291 HydrophobicContact CG2-CB 4.26Å; T229-L291 HydrophobicContact CG2-CD1 4.35Å; L230-L291 HydrophobicContact CD2-CD1 4.4Å; V233-L291 HydrophobicContact CB-CD1 3.8Å; V233-L291 HydrophobicContact CG1-CD1 3.68Å; V233-L291 HydrophobicContact CG1-CD2 4.08Å; V233-L291 HydrophobicContact CG2-CD1 3.88Å; V289-L291 HydrophobicContact CG1-CD2 4.05Å
292S93.9Very high92.5Very high2 Ų260.3 Ų60.31%0.01431%0.307CS..  trans-63.1139.5-179.7-47.40000111.1E225 K274 D290 N294 K295E225-S292 PolarHBondContact OE1-OG 3.23Å; K274-S292 WeakPolarHBondContact CD-OG 3.26Å; K274-S292 WeakPolarHBondContact CE-OG 3.3Å; K274-S292 PolarHBondContact NZ-OG 2.97Å; D290-S292 WeakPolarHBondContact OD1-CB 3.18Å; D290-S292 PolarHBondContact OD1-N 2.65Å; D290-S292 PolarHBondContact OD1-OG 2.96Å; S292-N294 PolarHBondContact O-N 3.49Å; S292-K295 WeakPolarHBondContact O-CB 3.35Å; S292-K295 VanDerWaalsContact O-CD 3.25Å; S292-K295 WeakPolarHBondContact O-CD 3.43Å; S292-K295 WeakPolarHBondContact O-CG 3.46Å; S292-K295 PolarHBondContact O-N 3.48Å
293K88.1Confident93Very high184 Ų18456.4 Ų56.480%0.829%0.285SS*.THydrogen-bonded Turntrans-62.5-28.6-179.7-68.3178.1-179.7164.60113.4
294N87.3Confident93.6Very high120 Ų12057.1 Ų57.164%0.64231%0.305SS*.THydrogen-bonded Turntrans-106.421.7-177.865.7-18.9000113.2S292S292-N294 PolarHBondContact O-N 3.49Å
295K92.4Very high94.1Very high46 Ų4655.3 Ų55.320%0.229%0.29CS..  trans-61.6139.1177.464.3-167.3173168.80111.6C201 D290 S292 T298C201-K295 PolarHBondContact O-NZ 3.47Å; D290-K295 HydrophobicContact CB-CB 4.19Å; D290-K295 HydrophobicContact CB-CD 4.23Å; D290-K295 WeakPolarHBondContact O-CD 3.44Å; D290-K295 PolarHBondContact O-NZ 3.44Å; D290-K295 WeakPolarHBondContact OD2-CB 3.46Å; S292-K295 WeakPolarHBondContact O-CB 3.35Å; S292-K295 VanDerWaalsContact O-CD 3.25Å; S292-K295 WeakPolarHBondContact O-CD 3.43Å; S292-K295 WeakPolarHBondContact O-CG 3.46Å; S292-K295 PolarHBondContact O-N 3.48Å; K295-T298 WeakPolarHBondContact CE-OG1 3.42Å; K295-T298 PolarHBondContact NZ-OG1 3.41Å
296E90.3Very high94.3Very high206 Ų20650.7 Ų50.796%0.96327%0.265SS*.SBendtrans-75.6-35.4171.3-64.8-17517200111.4
297K94.3Very high94.1Very high119 Ų11955.7 Ų55.752%0.51729%0.291SS..  trans-142.9135.2179.6-169.7-176.2-179.8-148.80109.9F299K297-F299 WeakPolarHBondContact CD-O 3.32Å; K297-F299 WeakPolarHBondContact CE-O 3.32Å; K297-F299 PolarHBondContact NZ-O 3Å
298T97Very high93.9Very high11 Ų1159.6 Ų59.67%0.06732%0.319CS..SBendtrans-67.9-44.6176.5-620000112.9L202 E206 V289 D290 K295L202-T298 HydrophobicContact CD2-CG2 3.38Å; E206-T298 HydrophobicContact CB-CG2 4.48Å; E206-T298 VanDerWaalsContact CD-OG1 3.29Å; E206-T298 HydrophobicContact CG-CG2 4.31Å; E206-T298 WeakPolarHBondContact OE1-CB 3.45Å; E206-T298 PolarHBondContact OE1-OG1 3.37Å; E206-T298 PolarHBondContact OE2-OG1 3.44Å; V289-T298 CarbonylContact C-O 3.04Å; V289-T298 WeakPolarHBondContact CA-O 3.34Å; V289-T298 HydrophobicContact CG1-CG2 4.01Å; D290-T298 PolarHBondContact N-O 2.92Å; K295-T298 WeakPolarHBondContact CE-OG1 3.42Å; K295-T298 PolarHBondContact NZ-OG1 3.41Å
299F96.7Very high93.8Very high18 Ų1859.9 Ų59.98%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-103.7102.4-178.8-54.9-75.3000111E206 Q209 V210 L287 L288 V289 K297 T302E206-F299 HydrophobicContact CB-CE2 4.1Å; E206-F299 HydrophobicContact CB-CZ 3.88Å; E206-F299 HydrophobicContact CG-CE2 3.86Å; E206-F299 HydrophobicContact CG-CZ 4.18Å; Q209-F299 HydrophobicContact CB-CE1 4.49Å; Q209-F299 HydrophobicContact CB-CZ 3.93Å; Q209-F299 VanDerWaalsContact OE1-CZ 3.23Å; V210-F299 HydrophobicContact CG2-CE1 3.99Å; V210-F299 HydrophobicContact CG2-CZ 4.44Å; L287-F299 HydrophobicContact CD1-CD1 3.67Å; L287-F299 HydrophobicContact CD1-CE1 4.16Å; L287-F299 HydrophobicContact CD1-CG 4.48Å; L287-F299 HydrophobicContact CD2-CE1 4.33Å; L287-F299 HydrophobicContact CG-CD1 4.23Å; L287-F299 HydrophobicContact CG-CE1 4.5Å; L288-F299 CarbonylContact O-C 3.58Å; L288-F299 WeakPolarHBondContact O-CA 3.4Å; V289-F299 HydrophobicContact CG1-CE1 4.32Å; V289-F299 HydrophobicContact CG2-CD1 4.05Å; V289-F299 HydrophobicContact CG2-CE1 4.02Å; K297-F299 WeakPolarHBondContact CD-O 3.32Å; K297-F299 WeakPolarHBondContact CE-O 3.32Å; K297-F299 PolarHBondContact NZ-O 3Å; F299-T302 HydrophobicContact CB-CG2 3.43Å; F299-T302 VanDerWaalsContact CB-CG2 3.43Å; F299-T302 HydrophobicContact CG-CG2 4.14Å
300L95.2Very high93.8Very high64 Ų6460 Ų6034%0.33532%0.321SS..EExtended strand (participates in β ladder)trans-72.7-38.5178.9-57-178.1000110.8L277 L288 D290L277-L300 HydrophobicContact CD1-CD1 3.68Å; L277-L300 HydrophobicContact CD2-CD1 4.22Å; L288-L300 HydrophobicContact CB-CB 4.24Å; L288-L300 HydrophobicContact CD2-CB 3.79Å; L288-L300 HydrophobicContact CD2-CD1 4Å; L288-L300 HydrophobicContact CD2-CG 4.49Å; L288-L300 HydrophobicContact CG-CB 3.95Å; L288-L300 HydrophobicContact CG-CD1 4.16Å; L288-L300 HydrophobicContact CG-CG 4.48Å; L288-L300 PolarHBondContact O-N 3.35Å; D290-L300 HydrophobicContact CB-CD1 4.15Å; D290-L300 HydrophobicContact CB-CD2 4.4Å; D290-L300 HydrophobicContact CB-CG 4.15Å
301V94.8Very high93.7Very high33 Ų3359.7 Ų59.720%0.232%0.32CS..EExtended strand (participates in β ladder)trans-132.3136.2174.6-175.80000108.6L286 L288L286-V301 HydrophobicContact CD1-CB 4.14Å; L286-V301 HydrophobicContact CD1-CG1 4.21Å; L288-V301 HydrophobicContact CB-CB 3.76Å; L288-V301 HydrophobicContact CB-CG2 3.97Å; L288-V301 HydrophobicContact CD2-CG2 4.02Å; L288-V301 PolarHBondContact N-O 3.01Å
302T94.3Very high93.7Very high67 Ų6763.5 Ų63.541%0.41134%0.344SS..  trans-135.7155.2178.858.20000110.1L287 F299L287-T302 HydrophobicContact CD1-CG2 4.22Å; F299-T302 HydrophobicContact CB-CG2 3.43Å; F299-T302 VanDerWaalsContact CB-CG2 3.43Å; F299-T302 HydrophobicContact CG-CG2 4.14Å
303I92.4Very high93.8Very high65 Ų6570.5 Ų70.533%0.33337%0.374SS..  trans-86.4-23.4171.9-63.3155.1000110.7R218 E306R218-I303 HydrophobicContact CG-CD1 4.48Å; I303-E306 WeakPolarHBondContact CB-OE1 3.35Å; I303-E306 PolarHBondContact N-OE1 2.9Å
304G92.1Very high94.3Very high63 Ų6362 Ų6265%0.64934%0.338SS*.SBendtrans96.60.417000000114.9E306G304-E306 WeakPolarHBondContact CA-OE2 3.44Å; G304-E306 PolarHBondContact N-OE2 3.03Å
305D93.9Very high94.7Very high41 Ų4158.1 Ų58.122%0.21932%0.316CS..  trans-113.33.617775.2-30.4000113.5R218 D307 S308 I309R218-D305 IonicContact CZ-OD1 3.39Å; R218-D305 IonicContact CZ-OD2 3.2Å; R218-D305 IonicContact NH1-OD1 3.09Å; R218-D305 PolarHBondContact NH1-OD1 2.9Å; R218-D305 IonicContact NH2-OD1 2.81Å; R218-D305 PolarHBondContact NH2-OD1 2.91Å; R218-D305 IonicContact NH2-OD2 2.98Å; R218-D305 PolarHBondContact NH2-OD2 3.26Å; D305-D307 VanDerWaalsContact C-N 3.28Å; D305-D307 PolarHBondContact O-N 3.43Å; D305-S308 PolarHBondContact O-N 3.44Å; D305-S308 PolarHBondContact O-OG 3.5Å; D305-I309 WeakPolarHBondContact O-CG1 3.41Å; D305-I309 PolarHBondContact O-N 3.38Å
306E93.1Very high95Very high11 Ų1158.6 Ų58.65%0.05133%0.329CS..Hα-helixtrans-51.4-43.2-174.1-72.675.6-169.200112.9Q209 R218 L287 I303 G304 S308Q209-E306 HydrophobicContact CB-CB 4.16Å; Q209-E306 HydrophobicContact CG-CB 4.23Å; R218-E306 IonicContact NH1-OE1 3.75Å; R218-E306 PolarHBondContact NH1-OE1 3.43Å; L287-E306 HydrophobicContact CD1-CG 4.27Å; I303-E306 WeakPolarHBondContact CB-OE1 3.35Å; I303-E306 PolarHBondContact N-OE1 2.9Å; G304-E306 WeakPolarHBondContact CA-OE2 3.44Å; G304-E306 PolarHBondContact N-OE2 3.03Å; E306-S308 PolarHBondContact O-N 3.07Å
307D90.7Very high95.3Very high105 Ų10551.3 Ų51.356%0.56130%0.295SS*.Hα-helixtrans-68.5-20.2-179.9-64.2-39.4000113.8Q209 D305 Q315Q209-D307 VanDerWaalsContact CG-OD1 3.32Å; Q209-D307 WeakPolarHBondContact CG-OD1 3.33Å; Q209-D307 PolarHBondContact NE2-OD1 2.96Å; Q209-D307 PolarHBondContact NE2-OD2 3.09Å; D305-D307 VanDerWaalsContact C-N 3.28Å; D305-D307 PolarHBondContact O-N 3.43Å; D307-Q315 PolarHBondContact O-NE2 3.09Å
308S93.1Very high95.4Very high84 Ų8445.9 Ų45.959%0.58727%0.271SS*.Hα-helixtrans-101.3-10-173.377.40000113.9D305 E306D305-S308 PolarHBondContact O-N 3.44Å; D305-S308 PolarHBondContact O-OG 3.5Å; E306-S308 PolarHBondContact O-N 3.07Å
309I95.9Very high95.4Very high6 Ų647.5 Ų47.53%0.03128%0.279CS..Hα-helixtrans-65.9-49.3-176.6-70.9164.5000111A212 L216 D305 F386A212-I309 HydrophobicContact CB-CB 4.03Å; A212-I309 HydrophobicContact CB-CD1 3.99Å; A212-I309 HydrophobicContact CB-CG2 4.11Å; L216-I309 HydrophobicContact CD1-CB 4.37Å; L216-I309 HydrophobicContact CD1-CD1 4.03Å; L216-I309 HydrophobicContact CD1-CG1 3.95Å; L216-I309 HydrophobicContact CD1-CG2 3.52Å; L216-I309 HydrophobicContact CG-CG2 3.85Å; D305-I309 WeakPolarHBondContact O-CG1 3.41Å; D305-I309 PolarHBondContact O-N 3.38Å; I309-F386 HydrophobicContact CG2-CD2 4.16Å; I309-F386 HydrophobicContact CG2-CE2 4.33Å; I309-F386 WeakPolarHBondContact O-CD2 3.26Å
310L97.6Very high95.3Very high3 Ų351.1 Ų51.12%0.01630%0.299CS..SBendtrans-84.9147.8-173.2-57.4175.7000110.8L208 F211 A212 V215 Q315 F347 F386L208-L310 HydrophobicContact CD2-CD1 4.08Å; F211-L310 HydrophobicContact CD1-CD1 3.79Å; F211-L310 HydrophobicContact CD1-CD2 4.2Å; F211-L310 HydrophobicContact CE1-CD1 4.24Å; F211-L310 HydrophobicContact CE1-CD2 4.02Å; A212-L310 HydrophobicContact CB-CD1 3.88Å; A212-L310 HydrophobicContact CB-CD2 4.27Å; A212-L310 HydrophobicContact CB-CG 3.76Å; V215-L310 HydrophobicContact CG1-CD2 4.11Å; L310-Q315 HydrophobicContact CB-CG 3.53Å; L310-Q315 HydrophobicContact CD1-CG 4.27Å; L310-Q315 PolarHBondContact O-NE2 2.95Å; L310-F347 HydrophobicContact CD2-CE2 4.04Å; L310-F347 HydrophobicContact CD2-CZ 3.68Å; L310-F386 HydrophobicContact CD2-CD2 4.25Å; L310-F386 HydrophobicContact CD2-CE2 3.84Å; L310-F386 HydrophobicContact CD2-CZ 4.42Å
311P97.6Very high95.3Very high2 Ų249.3 Ų49.31%0.01329%0.293CS..  trans-64.2126.8176.5-23.836.8000111.7K313 L314 Q315 T383 F386P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 3.37Å; P311-K313 VanDerWaalsContact O-N 3.13Å; P311-L314 HydrophobicContact CB-CB 4.4Å; P311-L314 HydrophobicContact CB-CD1 4.18Å; P311-L314 HydrophobicContact CB-CG 4.25Å; P311-L314 HydrophobicContact CG-CD1 4.07Å; P311-L314 WeakPolarHBondContact O-CA 3.46Å; P311-L314 PolarHBondContact O-N 2.84Å; P311-Q315 PolarHBondContact O-N 2.94Å; P311-T383 HydrophobicContact CG-CG2 4.39Å; P311-F386 HydrophobicContact CG-CB 3.89Å; P311-F386 HydrophobicContact CG-CD1 4.47Å; P311-F386 HydrophobicContact CG-CG 4.28Å
312P97Very high95.2Very high83 Ų8347.7 Ų47.754%0.53928%0.284SS..Hα-helixtrans-55.4-39.2-171-29.934.7000114.9L314 Q315 A316P312-L314 VanDerWaalsContact C-N 3.32Å; P312-L314 PolarHBondContact O-N 3.39Å; P312-Q315 WeakPolarHBondContact O-CB 3.09Å; P312-Q315 PolarHBondContact O-N 3.14Å; P312-A316 PolarHBondContact O-N 3.2Å
313K96.6Very high95Very high149 Ų14948.2 Ų48.265%0.64829%0.29SS*.Hα-helixtrans-61.4-40.2176.1-177.9175.3180175.30112.3P311 E317P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 3.37Å; P311-K313 VanDerWaalsContact O-N 3.13Å; K313-E317 WeakPolarHBondContact CE-OE1 3.34Å; K313-E317 WeakPolarHBondContact O-CG 3.29Å; K313-E317 PolarHBondContact O-N 2.92Å; K313-E317 VanDerWaalsContact O-N 3.12Å
314L97.2Very high94.6Very high7 Ų751.1 Ų51.14%0.03730%0.302CS..Hα-helixtrans-76.2-32179.9-62.1-179.4000111.5P311 P312 E317 I318 F347 R350 T351P311-L314 HydrophobicContact CB-CB 4.4Å; P311-L314 HydrophobicContact CB-CD1 4.18Å; P311-L314 HydrophobicContact CB-CG 4.25Å; P311-L314 HydrophobicContact CG-CD1 4.07Å; P311-L314 WeakPolarHBondContact O-CA 3.46Å; P311-L314 PolarHBondContact O-N 2.84Å; P312-L314 VanDerWaalsContact C-N 3.32Å; P312-L314 PolarHBondContact O-N 3.39Å; L314-E317 PolarHBondContact O-N 3.33Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 2.96Å; L314-F347 HydrophobicContact CB-CD2 3.81Å; L314-F347 HydrophobicContact CB-CE2 4Å; L314-F347 HydrophobicContact CD1-CD2 3.91Å; L314-F347 HydrophobicContact CD1-CE2 3.87Å; L314-F347 HydrophobicContact CG-CD2 4.47Å; L314-R350 HydrophobicContact CD1-CB 4.42Å; L314-R350 HydrophobicContact CD2-CB 3.93Å; L314-R350 HydrophobicContact CD2-CG 4.21Å; L314-T351 HydrophobicContact CD1-CG2 3.45Å; L314-T351 VanDerWaalsContact CD1-CG2 3.45Å
315Q97.2Very high94.2Very high37 Ų3750.3 Ų50.317%0.17328%0.28CS..Hα-helixtrans-58.5-50.7170-63.1-175.127.400110.7L208 D307 L310 P311 P312 E317 I318 L319L208-Q315 HydrophobicContact CD1-CB 4.07Å; D307-Q315 PolarHBondContact O-NE2 3.09Å; L310-Q315 HydrophobicContact CB-CG 3.53Å; L310-Q315 HydrophobicContact CD1-CG 4.27Å; L310-Q315 PolarHBondContact O-NE2 2.95Å; P311-Q315 PolarHBondContact O-N 2.94Å; P312-Q315 WeakPolarHBondContact O-CB 3.09Å; P312-Q315 PolarHBondContact O-N 3.14Å; Q315-E317 VanDerWaalsContact C-N 3.33Å; Q315-E317 PolarHBondContact O-N 3.29Å; Q315-I318 PolarHBondContact O-N 3.47Å; Q315-I318 VanDerWaalsContact O-N 3.09Å; Q315-L319 WeakPolarHBondContact O-CG 3.5Å; Q315-L319 PolarHBondContact O-N 3Å
316A97.3Very high92.7Very high57 Ų5752.6 Ų52.647%0.47129%0.292SS..Hα-helixtrans-60.3-40.2178.400000112.8P312 I318 L319 D320P312-A316 PolarHBondContact O-N 3.2Å; A316-I318 VanDerWaalsContact C-N 3.33Å; A316-I318 PolarHBondContact O-N 3.43Å; A316-L319 PolarHBondContact O-N 3.19Å; A316-D320 WeakPolarHBondContact O-CB 3.45Å; A316-D320 PolarHBondContact O-N 3.4Å
317E96.6Very high91Very high53 Ų5358.2 Ų58.225%0.24833%0.326CS..Hα-helixtrans-62.6-37.8174.6-73.3175.7-153.300112.2K313 L314 Q315 A321 H346 R350K313-E317 WeakPolarHBondContact CE-OE1 3.34Å; K313-E317 WeakPolarHBondContact O-CG 3.29Å; K313-E317 PolarHBondContact O-N 2.92Å; K313-E317 VanDerWaalsContact O-N 3.12Å; L314-E317 PolarHBondContact O-N 3.33Å; Q315-E317 VanDerWaalsContact C-N 3.33Å; Q315-E317 PolarHBondContact O-N 3.29Å; E317-A321 PolarHBondContact O-N 3.26Å; E317-H346 IonicContact OE2-CE1 2.84Å; E317-H346 PolarHBondContact OE2-CE1 3.39Å; E317-H346 IonicContact OE2-ND1 3.56Å; E317-R350 VanDerWaalsContact CD-NH1 3.33Å; E317-R350 IonicContact OE1-CZ 2.92Å; E317-R350 IonicContact OE1-NH1 2.96Å; E317-R350 PolarHBondContact OE1-NH1 3.13Å; E317-R350 VanDerWaalsContact OE1-NH1 3.09Å; E317-R350 IonicContact OE1-NH2 3.23Å; E317-R350 PolarHBondContact OE1-NH2 2.74Å; E317-R350 IonicContact OE2-CZ 2.67Å; E317-R350 IonicContact OE2-NH1 2.81Å; E317-R350 PolarHBondContact OE2-NH1 3.09Å; E317-R350 IonicContact OE2-NH2 3.66Å; E317-R350 PolarHBondContact OE2-NH2 3.14Å
318I97.1Very high89.3Confident4 Ų461.8 Ų61.82%0.02134%0.34CS..Hα-helixtrans-67.9-50174.3-65.9164.7000109.9L208 L314 Q315 A316 D320 A321 L322 A343 F344 F347L208-I318 HydrophobicContact CD2-CB 4.06Å; L208-I318 HydrophobicContact CD2-CD1 3.71Å; L208-I318 HydrophobicContact CD2-CG2 3.7Å; L208-I318 HydrophobicContact CG-CG2 4.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 2.96Å; Q315-I318 PolarHBondContact O-N 3.47Å; Q315-I318 VanDerWaalsContact O-N 3.09Å; A316-I318 VanDerWaalsContact C-N 3.33Å; A316-I318 PolarHBondContact O-N 3.43Å; I318-D320 VanDerWaalsContact C-N 3.3Å; I318-D320 PolarHBondContact O-N 3.24Å; I318-A321 PolarHBondContact O-N 3.37Å; I318-A321 VanDerWaalsContact O-N 3.15Å; I318-L322 HydrophobicContact CG2-CD1 3.63Å; I318-L322 HydrophobicContact CG2-CG 3.82Å; I318-L322 VanDerWaalsContact O-CB 3.28Å; I318-L322 WeakPolarHBondContact O-CB 3.34Å; I318-L322 VanDerWaalsContact O-CG 3.22Å; I318-L322 WeakPolarHBondContact O-CG 3.34Å; I318-L322 PolarHBondContact O-N 2.81Å; I318-A343 HydrophobicContact CG2-CB 4.49Å; I318-F344 HydrophobicContact CD1-CD1 4.44Å; I318-F344 HydrophobicContact CD1-CE1 4.41Å; I318-F344 HydrophobicContact CG2-CE1 4.3Å; I318-F344 HydrophobicContact CG2-CE2 4.04Å; I318-F344 HydrophobicContact CG2-CZ 3.88Å; I318-F347 HydrophobicContact CD1-CB 4.05Å; I318-F347 HydrophobicContact CD1-CD2 3.87Å; I318-F347 HydrophobicContact CD1-CG 4.24Å
319L96.9Very high87.1Confident46 Ų4665.2 Ų65.224%0.24135%0.346CS..Hα-helixtrans-57.2-42-179.5-69.4176.6000112.4N204 E205 L208 Q315 A316 L322 S323N204-L319 HydrophobicContact CB-CD2 3.58Å; E205-L319 HydrophobicContact CG-CD2 4.27Å; L208-L319 HydrophobicContact CD1-CD1 4.16Å; L208-L319 HydrophobicContact CD1-CD2 3.56Å; L208-L319 HydrophobicContact CD1-CG 3.59Å; L208-L319 HydrophobicContact CG-CD2 4.28Å; Q315-L319 WeakPolarHBondContact O-CG 3.5Å; Q315-L319 PolarHBondContact O-N 3Å; A316-L319 PolarHBondContact O-N 3.19Å; L319-L322 PolarHBondContact O-N 3.26Å; L319-S323 WeakPolarHBondContact O-CB 3.26Å; L319-S323 PolarHBondContact O-N 2.95Å
320D95.8Very high84.9Confident94 Ų9467 Ų6750%0.50336%0.362SS..Hα-helixtrans-60.8-50.9174.7-178.662000111.2A316 I318 L322 S323 Q324A316-D320 WeakPolarHBondContact O-CB 3.45Å; A316-D320 PolarHBondContact O-N 3.4Å; I318-D320 VanDerWaalsContact C-N 3.3Å; I318-D320 PolarHBondContact O-N 3.24Å; D320-L322 VanDerWaalsContact C-N 3.28Å; D320-L322 PolarHBondContact O-N 2.64Å; D320-S323 PolarHBondContact O-N 2.91Å; D320-S323 VanDerWaalsContact O-N 3.15Å; D320-S323 PolarHBondContact O-OG 3.37Å; D320-Q324 PolarHBondContact O-N 3.41Å; D320-Q324 PolarHBondContact OD2-NE2 3.15Å
321A93.9Very high82.7Confident25 Ų2576.5 Ų76.521%0.20740%0.403CS..Hα-helixtrans-60.6-37.5176.900000113E317 I318 Q324 V339 A343E317-A321 PolarHBondContact O-N 3.26Å; I318-A321 PolarHBondContact O-N 3.37Å; I318-A321 VanDerWaalsContact O-N 3.15Å; A321-Q324 PolarHBondContact O-N 2.85Å; A321-V339 WeakPolarHBondContact O-CG1 3.49Å; A321-A343 HydrophobicContact CB-CB 3.76Å
322L93.7Very high81.4Confident0 Ų083.2 Ų83.20%043%0.432CS..Hα-helixtrans-69.5-32.8177.1-75-168.5000112.6F199 N204 I318 L319 D320 Q324 R325 V340 A343 F344F199-L322 HydrophobicContact CE1-CD1 4.28Å; F199-L322 HydrophobicContact CZ-CD1 4.13Å; F199-L322 HydrophobicContact CZ-CD2 4.07Å; N204-L322 HydrophobicContact CB-CD1 4.26Å; I318-L322 HydrophobicContact CG2-CD1 3.63Å; I318-L322 HydrophobicContact CG2-CG 3.82Å; I318-L322 VanDerWaalsContact O-CB 3.28Å; I318-L322 WeakPolarHBondContact O-CB 3.34Å; I318-L322 VanDerWaalsContact O-CG 3.22Å; I318-L322 WeakPolarHBondContact O-CG 3.34Å; I318-L322 PolarHBondContact O-N 2.81Å; L319-L322 PolarHBondContact O-N 3.26Å; D320-L322 VanDerWaalsContact C-N 3.28Å; D320-L322 PolarHBondContact O-N 2.64Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 2.73Å; L322-R325 WeakPolarHBondContact O-CB 3.36Å; L322-R325 VanDerWaalsContact O-CG 3.22Å; L322-R325 WeakPolarHBondContact O-CG 3.19Å; L322-R325 PolarHBondContact O-N 3.4Å; L322-R325 PolarHBondContact O-NE 2.84Å; L322-R325 PolarHBondContact O-NH1 2.83Å; L322-R325 PolarHBondContact O-NH2 3.21Å; L322-V340 HydrophobicContact CD2-CB 4.38Å; L322-V340 HydrophobicContact CD2-CG1 4.35Å; L322-V340 HydrophobicContact CD2-CG2 4.04Å; L322-A343 HydrophobicContact CD2-CB 4.29Å; L322-F344 HydrophobicContact CD1-CE2 4.13Å; L322-F344 HydrophobicContact CD1-CZ 4.31Å; L322-F344 HydrophobicContact CD2-CE2 4.03Å
323S90.4Very high80.6Confident77 Ų7782.1 Ų82.154%0.53842%0.424SS..Hα-helixtrans-69.6-24174.673.20000113.5L319 D320 R325L319-S323 WeakPolarHBondContact O-CB 3.26Å; L319-S323 PolarHBondContact O-N 2.95Å; D320-S323 PolarHBondContact O-N 2.91Å; D320-S323 VanDerWaalsContact O-N 3.15Å; D320-S323 PolarHBondContact O-OG 3.37Å; S323-R325 PolarHBondContact O-N 2.92Å
324Q83.6Confident79.9Confident127 Ų12781.3 Ų81.359%0.59342%0.423SS*.THydrogen-bonded Turntrans-77.80.7177.9-66.5170.122.100113.5D320 A321 L322 N326D320-Q324 PolarHBondContact O-N 3.41Å; D320-Q324 PolarHBondContact OD2-NE2 3.15Å; A321-Q324 PolarHBondContact O-N 2.85Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 2.73Å; Q324-N326 PolarHBondContact O-N 3.47Å
325R83.3Confident79.2Confident46 Ų4685.4 Ų85.417%0.17444%0.441CS..SBendtrans-67.2101.3172.2-64.7-177.8-41.2-109.7-11.5108.6N204 L322 S323 V327 V339N204-R325 PolarHBondContact OD1-NH1 3.24Å; N204-R325 PolarHBondContact OD1-NH2 3.46Å; L322-R325 WeakPolarHBondContact O-CB 3.36Å; L322-R325 VanDerWaalsContact O-CG 3.22Å; L322-R325 WeakPolarHBondContact O-CG 3.19Å; L322-R325 PolarHBondContact O-N 3.4Å; L322-R325 PolarHBondContact O-NE 2.84Å; L322-R325 PolarHBondContact O-NH1 2.83Å; L322-R325 PolarHBondContact O-NH2 3.21Å; S323-R325 PolarHBondContact O-N 2.92Å; R325-V327 PolarHBondContact O-N 2.7Å; R325-V327 VanDerWaalsContact O-N 3.14Å; R325-V339 HydrophobicContact CG-CB 4.13Å; R325-V339 HydrophobicContact CG-CG1 3.59Å
326N62.6Low78.8Confident88 Ų8884.5 Ų84.547%0.47144%0.438SS..  trans-66.8111-174.6-157.45.3000110.6Q324 E329 A330Q324-N326 PolarHBondContact O-N 3.47Å; N326-E329 PolarHBondContact ND2-OE2 3.45Å; N326-A330 WeakPolarHBondContact O-CB 3.44Å; N326-A330 PolarHBondContact O-N 2.74Å
327V57Low78.4Confident129 Ų12982.3 Ų82.378%0.78242%0.419SS*.SBendtrans-73.5-27.1-174.4-176.50000112.1R325 A330R325-V327 PolarHBondContact O-N 2.7Å; R325-V327 VanDerWaalsContact O-N 3.14Å; V327-A330 WeakPolarHBondContact O-CB 3.47Å
328E54.3Low77.9Confident181 Ų18184.3 Ų84.385%0.84642%0.424SS*.SBendtrans-87.3-25.6-174.9-68179.8164.700113.5
329E46.8Very low77.6Confident155 Ų15585.1 Ų85.172%0.72443%0.429SS*.SBendtrans-99.24.3172.5-68.3-179.5152.800112.9N326 K331N326-E329 PolarHBondContact ND2-OE2 3.45Å; E329-K331 PolarHBondContact O-N 2.85Å
330A50.5Low77.4Confident44 Ų4483 Ų8336%0.36442%0.418SS..  trans-63.620.8-175.800000116.3N326 V327 K332N326-A330 WeakPolarHBondContact O-CB 3.44Å; N326-A330 PolarHBondContact O-N 2.74Å; V327-A330 WeakPolarHBondContact O-CB 3.47Å; A330-K332 PolarHBondContact O-N 2.78Å; A330-K332 VanDerWaalsContact O-N 3.09Å
331K51.5Low77.3Confident202 Ų20278.8 Ų78.888%0.87840%0.396SS*.  trans-71.92.6178.1-71.8-174.1178.11780114E329E329-K331 PolarHBondContact O-N 2.85Å
332K71Confident77.2Confident144 Ų14481 Ų8163%0.62640%0.402SS*.  trans-125.9107.5177.4-70.3-173.3-177.3178.90110.6A330 E334 E335A330-K332 PolarHBondContact O-N 2.78Å; A330-K332 VanDerWaalsContact O-N 3.09Å; K332-E334 WeakPolarHBondContact CB-OE2 3.44Å; K332-E334 PolarHBondContact O-N 2.78Å; K332-E334 VanDerWaalsContact O-N 3.09Å; K332-E335 PolarHBondContact O-N 2.82Å
333V80.4Confident77.3Confident59 Ų5981.4 Ų81.436%0.35841%0.405SS..Hα-helixtrans-49.1-32.5171.8172.40000110.9E335 N337V333-E335 VanDerWaalsContact C-N 3.34Å; V333-E335 PolarHBondContact O-N 3Å; V333-N337 VanDerWaalsContact O-CB 3.25Å; V333-N337 WeakPolarHBondContact O-CB 3.15Å; V333-N337 PolarHBondContact O-N 3.33Å; V333-N337 PolarHBondContact O-OD1 3.16Å
334E80.4Confident77.6Confident133 Ų13377.8 Ų77.862%0.62138%0.38SS*.Hα-helixtrans-61.3-37.6178.3-60.382-178.100113.3K332 N337 R338K332-E334 WeakPolarHBondContact CB-OE2 3.44Å; K332-E334 PolarHBondContact O-N 2.78Å; K332-E334 VanDerWaalsContact O-N 3.09Å; E334-N337 PolarHBondContact O-N 2.94Å; E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 PolarHBondContact O-N 2.95Å
335E83.4Confident78.1Confident92 Ų9272 Ų7243%0.4335%0.353SS..Hα-helixtrans-74.8-44.2-178179.259.8-17200111.3K332 V333 N337 R338 V339K332-E335 PolarHBondContact O-N 2.82Å; V333-E335 VanDerWaalsContact C-N 3.34Å; V333-E335 PolarHBondContact O-N 3Å; E335-N337 PolarHBondContact O-N 3.34Å; E335-R338 PolarHBondContact O-N 2.89Å; E335-R338 IonicContact OE1-CZ 3.32Å; E335-R338 IonicContact OE1-NE 3.79Å; E335-R338 IonicContact OE1-NH2 2.72Å; E335-R338 PolarHBondContact OE1-NH2 3.33Å; E335-R338 IonicContact OE2-CZ 2.85Å; E335-R338 IonicContact OE2-NE 3.38Å; E335-R338 PolarHBondContact OE2-NE 3.11Å; E335-R338 IonicContact OE2-NH2 3.31Å; E335-R338 PolarHBondContact OE2-NH2 3.08Å; E335-V339 WeakPolarHBondContact O-CG2 3.41Å; E335-V339 PolarHBondContact O-N 2.92Å
336V87.6Confident78.7Confident18 Ų1873 Ų7311%0.10936%0.36CS..Hα-helixtrans-57-46.3171.8177.20000109.4F195 R338 V339 V340F195-V336 HydrophobicContact CB-CG1 4.1Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.04Å; V336-V339 PolarHBondContact O-N 2.93Å; V336-V340 HydrophobicContact CG1-CG2 4.2Å; V336-V340 WeakPolarHBondContact O-CB 3.35Å; V336-V340 WeakPolarHBondContact O-CG2 3.47Å; V336-V340 PolarHBondContact O-N 3.46Å; V336-V340 VanDerWaalsContact O-N 3.07Å
337N89.1Confident80.4Confident12 Ų1269 Ų696%0.06434%0.338CS..Hα-helixtrans-59.3-43.2178.7-78-1.2000112.5L190 V193 F195 V333 E334 E335 S341L190-N337 HydrophobicContact CD1-CB 4.21Å; V193-N337 PolarHBondContact O-ND2 3.18Å; F195-N337 HydrophobicContact CD2-CB 4.18Å; F195-N337 WeakPolarHBondContact CD2-OD1 3.47Å; F195-N337 PolarHBondContact N-OD1 2.92Å; V333-N337 VanDerWaalsContact O-CB 3.25Å; V333-N337 WeakPolarHBondContact O-CB 3.15Å; V333-N337 PolarHBondContact O-N 3.33Å; V333-N337 PolarHBondContact O-OD1 3.16Å; E334-N337 PolarHBondContact O-N 2.94Å; E335-N337 PolarHBondContact O-N 3.34Å; N337-S341 WeakPolarHBondContact O-CB 3.3Å; N337-S341 PolarHBondContact O-N 2.71Å; N337-S341 VanDerWaalsContact O-N 3.09Å; N337-S341 PolarHBondContact O-OG 2.91Å
338R87.3Confident82.3Confident95 Ų9562.9 Ų62.936%0.35830%0.301SS..Hα-helixtrans-63.6-51.1177.7-172.1-170.969.776.5-1.1112.1E334 E335 V336 V340 S341 E342E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 PolarHBondContact O-N 2.95Å; E335-R338 PolarHBondContact O-N 2.89Å; E335-R338 IonicContact OE1-CZ 3.32Å; E335-R338 IonicContact OE1-NE 3.79Å; E335-R338 IonicContact OE1-NH2 2.72Å; E335-R338 PolarHBondContact OE1-NH2 3.33Å; E335-R338 IonicContact OE2-CZ 2.85Å; E335-R338 IonicContact OE2-NE 3.38Å; E335-R338 PolarHBondContact OE2-NE 3.11Å; E335-R338 IonicContact OE2-NH2 3.31Å; E335-R338 PolarHBondContact OE2-NH2 3.08Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.04Å; R338-V340 PolarHBondContact O-N 3.23Å; R338-S341 WeakPolarHBondContact O-CB 3.28Å; R338-S341 PolarHBondContact O-N 3.43Å; R338-E342 IonicContact NH1-OE2 2.76Å; R338-E342 PolarHBondContact NH1-OE2 3.09Å; R338-E342 WeakPolarHBondContact O-CB 3.45Å; R338-E342 WeakPolarHBondContact O-CG 3.43Å; R338-E342 PolarHBondContact O-N 3.39Å
339V90.4Very high84.3Confident21 Ų2154.7 Ų54.713%0.12726%0.263CS..Hα-helixtrans-61.4-48.5-176.41730000111.2A321 R325 E335 V336 E342 A343A321-V339 WeakPolarHBondContact O-CG1 3.49Å; R325-V339 HydrophobicContact CG-CB 4.13Å; R325-V339 HydrophobicContact CG-CG1 3.59Å; E335-V339 WeakPolarHBondContact O-CG2 3.41Å; E335-V339 PolarHBondContact O-N 2.92Å; V336-V339 PolarHBondContact O-N 2.93Å; V339-E342 PolarHBondContact O-N 3.48Å; V339-A343 PolarHBondContact O-N 3.4Å; V339-A343 VanDerWaalsContact O-N 3.08Å
340V93.6Very high86.6Confident0 Ų050.5 Ų50.50%024%0.241CC..Hα-helixtrans-60.9-52.4179.9176.70000109.6F195 F199 L240 L322 V336 R338 E342 A343 F344F195-V340 HydrophobicContact CB-CB 4.39Å; F195-V340 HydrophobicContact CB-CG1 4.44Å; F195-V340 HydrophobicContact CB-CG2 4.17Å; F195-V340 HydrophobicContact CD1-CB 4.42Å; F195-V340 HydrophobicContact CD1-CG1 3.67Å; F195-V340 HydrophobicContact CD2-CB 4.08Å; F195-V340 HydrophobicContact CD2-CG1 4.09Å; F195-V340 HydrophobicContact CE1-CG1 3.82Å; F195-V340 HydrophobicContact CE2-CB 4.38Å; F195-V340 HydrophobicContact CE2-CG1 4.16Å; F195-V340 HydrophobicContact CG-CB 4.05Å; F195-V340 HydrophobicContact CG-CG1 3.81Å; F195-V340 HydrophobicContact CG-CG2 4.35Å; F195-V340 HydrophobicContact CZ-CG1 4.03Å; F199-V340 HydrophobicContact CD2-CG2 4.21Å; F199-V340 HydrophobicContact CE2-CB 4.38Å; F199-V340 HydrophobicContact CE2-CG1 4Å; F199-V340 HydrophobicContact CE2-CG2 3.43Å; F199-V340 VanDerWaalsContact CE2-CG2 3.43Å; F199-V340 HydrophobicContact CZ-CG1 4.4Å; F199-V340 HydrophobicContact CZ-CG2 4.14Å; L240-V340 HydrophobicContact CD2-CG1 3.71Å; L322-V340 HydrophobicContact CD2-CB 4.38Å; L322-V340 HydrophobicContact CD2-CG1 4.35Å; L322-V340 HydrophobicContact CD2-CG2 4.04Å; V336-V340 HydrophobicContact CG1-CG2 4.2Å; V336-V340 WeakPolarHBondContact O-CB 3.35Å; V336-V340 WeakPolarHBondContact O-CG2 3.47Å; V336-V340 PolarHBondContact O-N 3.46Å; V336-V340 VanDerWaalsContact O-N 3.07Å; R338-V340 PolarHBondContact O-N 3.23Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.1Å; V340-A343 WeakPolarHBondContact O-CB 3.39Å; V340-A343 PolarHBondContact O-N 2.8Å; V340-A343 VanDerWaalsContact O-N 3.11Å; V340-F344 HydrophobicContact CG1-CD2 3.97Å; V340-F344 HydrophobicContact CG1-CE2 3.98Å; V340-F344 VanDerWaalsContact O-CD2 3.31Å; V340-F344 WeakPolarHBondContact O-CD2 3.35Å; V340-F344 PolarHBondContact O-N 2.92Å; V340-F344 VanDerWaalsContact O-N 3.16Å
341S92.3Very high88.8Confident6 Ų648.5 Ų48.54%0.04222%0.224CC..Hα-helixtrans-53.3-45.4177.8-74.60000114.3W189 L190 F195 N337 R338 L345W189-S341 VanDerWaalsContact CH2-CB 3.48Å; W189-S341 WeakPolarHBondContact CZ2-OG 3.47Å; L190-S341 VanDerWaalsContact CD1-OG 3.23Å; L190-S341 WeakPolarHBondContact CD1-OG 3.38Å; L190-S341 VanDerWaalsContact CD2-OG 3.23Å; L190-S341 WeakPolarHBondContact CD2-OG 3.44Å; F195-S341 WeakPolarHBondContact CE2-OG 3.48Å; N337-S341 WeakPolarHBondContact O-CB 3.3Å; N337-S341 PolarHBondContact O-N 2.71Å; N337-S341 VanDerWaalsContact O-N 3.09Å; N337-S341 PolarHBondContact O-OG 2.91Å; R338-S341 WeakPolarHBondContact O-CB 3.28Å; R338-S341 PolarHBondContact O-N 3.43Å; S341-L345 WeakPolarHBondContact O-CB 3.31Å; S341-L345 PolarHBondContact O-N 2.84Å
342E92.1Very high90.9Very high71 Ų7138.9 Ų38.933%0.33218%0.182SC..Hα-helixtrans-67.7-36.2179-73.2-167.4140.500112.5R338 V339 V340 H346 K415R338-E342 IonicContact NH1-OE2 2.76Å; R338-E342 PolarHBondContact NH1-OE2 3.09Å; R338-E342 WeakPolarHBondContact O-CB 3.45Å; R338-E342 WeakPolarHBondContact O-CG 3.43Å; R338-E342 PolarHBondContact O-N 3.39Å; V339-E342 PolarHBondContact O-N 3.48Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.1Å; E342-H346 WeakPolarHBondContact O-CB 3.26Å; E342-H346 PolarHBondContact O-N 2.67Å; E342-K415 IonicContact OE1-NZ 3.95Å; E342-K415 PolarHBondContact OE1-NZ 2.7Å
343A95.4Very high92Very high9 Ų932.2 Ų32.27%0.07415%0.154CC..Hα-helixtrans-61.8-50.3177.200000111.8I318 A321 L322 V339 V340 H346 F347I318-A343 HydrophobicContact CG2-CB 4.49Å; A321-A343 HydrophobicContact CB-CB 3.76Å; L322-A343 HydrophobicContact CD2-CB 4.29Å; V339-A343 PolarHBondContact O-N 3.4Å; V339-A343 VanDerWaalsContact O-N 3.08Å; V340-A343 WeakPolarHBondContact O-CB 3.39Å; V340-A343 PolarHBondContact O-N 2.8Å; V340-A343 VanDerWaalsContact O-N 3.11Å; A343-H346 PolarHBondContact O-N 2.78Å; A343-F347 PolarHBondContact O-N 2.98Å
344F96.8Very high92.6Very high2 Ų231.6 Ų31.61%0.00915%0.147CC..Hα-helixtrans-74-34.8-180-73-90.7000112.6V207 L208 F211 L240 I318 L322 V340 H346 F347 F348V207-F344 HydrophobicContact CG1-CE2 4.49Å; V207-F344 HydrophobicContact CG1-CZ 3.91Å; L208-F344 HydrophobicContact CD2-CE1 4.11Å; L208-F344 HydrophobicContact CD2-CZ 4.27Å; F211-F344 HydrophobicContact CB-CD1 4.49Å; F211-F344 HydrophobicContact CB-CE1 3.77Å; F211-F344 AromaticContact CD1-CD1 3.88Å; F211-F344 HydrophobicContact CD1-CD1 3.88Å; F211-F344 AromaticContact CD1-CE1 3.66Å; F211-F344 HydrophobicContact CD1-CE1 3.66Å; F211-F344 AromaticContact CD2-CD1 3.7Å; F211-F344 HydrophobicContact CD2-CD1 3.7Å; F211-F344 AromaticContact CD2-CE1 3.86Å; F211-F344 HydrophobicContact CD2-CE1 3.86Å; F211-F344 AromaticContact CE1-CD1 3.97Å; F211-F344 HydrophobicContact CE1-CD1 3.97Å; F211-F344 HydrophobicContact CE1-CE1 4.2Å; F211-F344 AromaticContact CE2-CD1 3.78Å; F211-F344 HydrophobicContact CE2-CD1 3.78Å; F211-F344 HydrophobicContact CE2-CE1 4.36Å; F211-F344 AromaticContact CG-CD1 3.76Å; F211-F344 HydrophobicContact CG-CD1 3.76Å; F211-F344 AromaticContact CG-CE1 3.47Å; F211-F344 HydrophobicContact CG-CE1 3.47Å; F211-F344 VanDerWaalsContact CG-CE1 3.47Å; F211-F344 AromaticContact CZ-CD1 3.92Å; F211-F344 HydrophobicContact CZ-CD1 3.92Å; L240-F344 HydrophobicContact CB-CD1 4.27Å; L240-F344 HydrophobicContact CB-CG 4.38Å; L240-F344 HydrophobicContact CD1-CE1 4.24Å; L240-F344 HydrophobicContact CD1-CZ 4.17Å; L240-F344 HydrophobicContact CD2-CB 4.47Å; L240-F344 HydrophobicContact CD2-CD1 4.26Å; L240-F344 HydrophobicContact CD2-CD2 3.49Å; L240-F344 VanDerWaalsContact CD2-CD2 3.49Å; L240-F344 HydrophobicContact CD2-CE1 4.39Å; L240-F344 HydrophobicContact CD2-CE2 3.66Å; L240-F344 HydrophobicContact CD2-CG 3.82Å; L240-F344 HydrophobicContact CD2-CZ 4.12Å; I318-F344 HydrophobicContact CD1-CD1 4.44Å; I318-F344 HydrophobicContact CD1-CE1 4.41Å; I318-F344 HydrophobicContact CG2-CE1 4.3Å; I318-F344 HydrophobicContact CG2-CE2 4.04Å; I318-F344 HydrophobicContact CG2-CZ 3.88Å; L322-F344 HydrophobicContact CD1-CE2 4.13Å; L322-F344 HydrophobicContact CD1-CZ 4.31Å; L322-F344 HydrophobicContact CD2-CE2 4.03Å; V340-F344 HydrophobicContact CG1-CD2 3.97Å; V340-F344 HydrophobicContact CG1-CE2 3.98Å; V340-F344 VanDerWaalsContact O-CD2 3.31Å; V340-F344 WeakPolarHBondContact O-CD2 3.35Å; V340-F344 PolarHBondContact O-N 2.92Å; V340-F344 VanDerWaalsContact O-N 3.16Å; F344-H346 VanDerWaalsContact C-N 3.3Å; F344-H346 PolarHBondContact O-N 3.19Å; F344-F347 VanDerWaalsContact O-CB 3.28Å; F344-F347 WeakPolarHBondContact O-CB 3.25Å; F344-F347 PolarHBondContact O-N 2.99Å; F344-F348 WeakPolarHBondContact O-CD2 3.35Å; F344-F348 PolarHBondContact O-N 3.37Å
345L95.3Very high93.2Very high4 Ų425.5 Ų25.52%0.02112%0.119CC..Hα-helixtrans-62.9-39.7172.7-175.455.8000111.6W189 Y242 S341 F347 F348 V349 I411 F412 K415W189-L345 HydrophobicContact CH2-CD2 4.24Å; Y242-L345 HydrophobicContact CD1-CD1 3.7Å; Y242-L345 HydrophobicContact CD1-CD2 4.34Å; Y242-L345 HydrophobicContact CE1-CD1 3.76Å; Y242-L345 HydrophobicContact CE1-CD2 4.08Å; S341-L345 WeakPolarHBondContact O-CB 3.31Å; S341-L345 PolarHBondContact O-N 2.84Å; L345-F347 VanDerWaalsContact C-N 3.27Å; L345-F347 PolarHBondContact O-N 3.14Å; L345-F348 PolarHBondContact O-N 2.97Å; L345-F348 VanDerWaalsContact O-N 3.17Å; L345-V349 WeakPolarHBondContact O-CG2 3.34Å; L345-V349 PolarHBondContact O-N 3.13Å; L345-I411 HydrophobicContact CD2-CG2 4.24Å; L345-F412 HydrophobicContact CD1-CB 4.49Å; L345-F412 HydrophobicContact CD1-CD2 3.51Å; L345-F412 HydrophobicContact CD1-CE2 4.14Å; L345-F412 HydrophobicContact CD1-CG 4.4Å; L345-K415 HydrophobicContact CD2-CB 4.46Å; L345-K415 HydrophobicContact CD2-CG 3.84Å
346H95.6Very high93.4Very high68 Ų6823.4 Ų23.432%0.31511%0.114SC..Hα-helixtrans-62.6-34.5176.2179.5-106.5000112.1E317 E342 A343 F344 F348 V349 R350 Y419E317-H346 IonicContact OE2-CE1 2.84Å; E317-H346 PolarHBondContact OE2-CE1 3.39Å; E317-H346 IonicContact OE2-ND1 3.56Å; E342-H346 WeakPolarHBondContact O-CB 3.26Å; E342-H346 PolarHBondContact O-N 2.67Å; A343-H346 PolarHBondContact O-N 2.78Å; F344-H346 VanDerWaalsContact C-N 3.3Å; F344-H346 PolarHBondContact O-N 3.19Å; H346-F348 VanDerWaalsContact C-N 3.35Å; H346-F348 PolarHBondContact O-N 3.38Å; H346-V349 PolarHBondContact O-N 3.06Å; H346-R350 WeakPolarHBondContact O-CB 2.87Å; H346-R350 WeakPolarHBondContact O-CG 3.47Å; H346-R350 PolarHBondContact O-N 2.81Å; H346-Y419 AromaticContact NE2-CE2 3.99Å
347F97.7Very high93.6Very high3 Ų326.8 Ų26.81%0.01314%0.138CC..Hα-helixtrans-56.6-46.8171.5174-87.8000112F211 L310 L314 I318 A343 F344 L345 R350 T351 F386F211-F347 HydrophobicContact CE1-CD1 4Å; F211-F347 AromaticContact CE1-CE1 3.97Å; F211-F347 HydrophobicContact CE1-CE1 3.97Å; F211-F347 HydrophobicContact CE1-CG 4.36Å; F211-F347 HydrophobicContact CE1-CZ 4.29Å; F211-F347 AromaticContact CZ-CD1 3.88Å; F211-F347 HydrophobicContact CZ-CD1 3.88Å; F211-F347 HydrophobicContact CZ-CE1 4.03Å; L310-F347 HydrophobicContact CD2-CE2 4.04Å; L310-F347 HydrophobicContact CD2-CZ 3.68Å; L314-F347 HydrophobicContact CB-CD2 3.81Å; L314-F347 HydrophobicContact CB-CE2 4Å; L314-F347 HydrophobicContact CD1-CD2 3.91Å; L314-F347 HydrophobicContact CD1-CE2 3.87Å; L314-F347 HydrophobicContact CG-CD2 4.47Å; I318-F347 HydrophobicContact CD1-CB 4.05Å; I318-F347 HydrophobicContact CD1-CD2 3.87Å; I318-F347 HydrophobicContact CD1-CG 4.24Å; A343-F347 PolarHBondContact O-N 2.98Å; F344-F347 VanDerWaalsContact O-CB 3.28Å; F344-F347 WeakPolarHBondContact O-CB 3.25Å; F344-F347 PolarHBondContact O-N 2.99Å; L345-F347 VanDerWaalsContact C-N 3.27Å; L345-F347 PolarHBondContact O-N 3.14Å; F347-R350 PolarHBondContact O-N 3.24Å; F347-T351 HydrophobicContact CD1-CG2 4.32Å; F347-T351 HydrophobicContact CD2-CG2 4.43Å; F347-T351 HydrophobicContact CE1-CG2 3.97Å; F347-T351 HydrophobicContact CE2-CG2 4.1Å; F347-T351 HydrophobicContact CZ-CG2 3.84Å; F347-T351 WeakPolarHBondContact O-CB 3.32Å; F347-T351 WeakPolarHBondContact O-CG2 3.28Å; F347-T351 PolarHBondContact O-N 3.14Å; F347-T351 PolarHBondContact O-OG1 3.24Å; F347-F386 AromaticContact CE1-CE1 3.64Å; F347-F386 HydrophobicContact CE1-CE1 3.64Å; F347-F386 AromaticContact CE1-CZ 3.61Å; F347-F386 HydrophobicContact CE1-CZ 3.61Å; F347-F386 HydrophobicContact CZ-CD1 4.06Å; F347-F386 AromaticContact CZ-CE1 3.47Å; F347-F386 HydrophobicContact CZ-CE1 3.47Å; F347-F386 VanDerWaalsContact CZ-CE1 3.47Å; F347-F386 HydrophobicContact CZ-CE2 4.13Å; F347-F386 AromaticContact CZ-CZ 3.52Å; F347-F386 HydrophobicContact CZ-CZ 3.52Å
348F97.6Very high93.8Very high1 Ų128.3 Ų28.30%0.00414%0.144CC..Hα-helixtrans-68.4-37.9177-67.3-63.6000112.7F211 V215 L240 L241 Y242 F244 F344 L345 H346 R350 T351 V352 G353 F390 F412F211-F348 HydrophobicContact CE2-CE2 4.09Å; F211-F348 AromaticContact CE2-CZ 3.87Å; F211-F348 HydrophobicContact CE2-CZ 3.87Å; F211-F348 HydrophobicContact CZ-CE1 4.45Å; F211-F348 HydrophobicContact CZ-CE2 4.04Å; F211-F348 AromaticContact CZ-CZ 3.73Å; F211-F348 HydrophobicContact CZ-CZ 3.73Å; V215-F348 HydrophobicContact CG2-CE1 3.84Å; V215-F348 HydrophobicContact CG2-CZ 3.98Å; L240-F348 WeakPolarHBondContact O-CE2 3.44Å; L241-F348 WeakPolarHBondContact O-CE2 3.26Å; Y242-F348 WeakPolarHBondContact O-CD2 3.37Å; Y242-F348 WeakPolarHBondContact O-CE2 3.43Å; F244-F348 AromaticContact CD2-CD1 3.82Å; F244-F348 HydrophobicContact CD2-CD1 3.82Å; F244-F348 AromaticContact CD2-CE1 3.7Å; F244-F348 HydrophobicContact CD2-CE1 3.7Å; F244-F348 HydrophobicContact CD2-CE2 4.47Å; F244-F348 HydrophobicContact CD2-CG 4.26Å; F244-F348 HydrophobicContact CD2-CZ 4.04Å; F244-F348 HydrophobicContact CE2-CB 4.45Å; F244-F348 AromaticContact CE2-CD1 3.48Å; F244-F348 HydrophobicContact CE2-CD1 3.48Å; F244-F348 VanDerWaalsContact CE2-CD1 3.48Å; F244-F348 AromaticContact CE2-CE1 3.79Å; F244-F348 HydrophobicContact CE2-CE1 3.79Å; F244-F348 AromaticContact CE2-CG 3.99Å; F244-F348 HydrophobicContact CE2-CG 3.99Å; F344-F348 WeakPolarHBondContact O-CD2 3.35Å; F344-F348 PolarHBondContact O-N 3.37Å; L345-F348 PolarHBondContact O-N 2.97Å; L345-F348 VanDerWaalsContact O-N 3.17Å; H346-F348 VanDerWaalsContact C-N 3.35Å; H346-F348 PolarHBondContact O-N 3.38Å; F348-R350 PolarHBondContact O-N 3.17Å; F348-T351 WeakPolarHBondContact CA-OG1 3.36Å; F348-T351 PolarHBondContact O-N 3.11Å; F348-T351 PolarHBondContact O-OG1 2.84Å; F348-V352 HydrophobicContact CB-CG2 4.22Å; F348-V352 HydrophobicContact CD1-CG2 4.45Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 2.89Å; F348-G353 PolarHBondContact O-N 2.97Å; F348-F390 HydrophobicContact CD1-CE1 4.41Å; F348-F390 HydrophobicContact CD1-CZ 4.43Å; F348-F390 HydrophobicContact CE1-CE1 4.24Å; F348-F390 HydrophobicContact CE1-CE2 4.48Å; F348-F390 AromaticContact CE1-CZ 3.88Å; F348-F390 HydrophobicContact CE1-CZ 3.88Å; F348-F412 HydrophobicContact CB-CE2 3.87Å; F348-F412 HydrophobicContact CB-CZ 4.16Å
349V96.1Very high93.9Very high9 Ų924.4 Ų24.46%0.05513%0.13CC..Hα-helixtrans-58.2-40.2173.3172.90000110.8L345 H346 G353 F412 K415 I416 Y419L345-V349 WeakPolarHBondContact O-CG2 3.34Å; L345-V349 PolarHBondContact O-N 3.13Å; H346-V349 PolarHBondContact O-N 3.06Å; V349-G353 VanDerWaalsContact O-CA 3.28Å; V349-G353 WeakPolarHBondContact O-CA 3.31Å; V349-G353 PolarHBondContact O-N 3.22Å; V349-G353 VanDerWaalsContact O-N 3.14Å; V349-F412 HydrophobicContact CG2-CD2 4.07Å; V349-F412 HydrophobicContact CG2-CE2 3.73Å; V349-K415 HydrophobicContact CG2-CB 4.15Å; V349-I416 HydrophobicContact CG1-CG1 4.28Å; V349-I416 HydrophobicContact CG2-CG1 4.1Å; V349-Y419 HydrophobicContact CG1-CD1 3.87Å; V349-Y419 HydrophobicContact CG1-CD2 4.36Å; V349-Y419 HydrophobicContact CG1-CG 3.7Å
350R95.6Very high93.7Very high68 Ų6828.7 Ų28.726%0.25715%0.147SC..Hα-helixtrans-75.5-32.5-179-71.6-73.9-67.5-84.6-15.1114.1L314 E317 H346 F347 F348 Y419L314-R350 HydrophobicContact CD1-CB 4.42Å; L314-R350 HydrophobicContact CD2-CB 3.93Å; L314-R350 HydrophobicContact CD2-CG 4.21Å; E317-R350 VanDerWaalsContact CD-NH1 3.33Å; E317-R350 IonicContact OE1-CZ 2.92Å; E317-R350 IonicContact OE1-NH1 2.96Å; E317-R350 PolarHBondContact OE1-NH1 3.13Å; E317-R350 VanDerWaalsContact OE1-NH1 3.09Å; E317-R350 IonicContact OE1-NH2 3.23Å; E317-R350 PolarHBondContact OE1-NH2 2.74Å; E317-R350 IonicContact OE2-CZ 2.67Å; E317-R350 IonicContact OE2-NH1 2.81Å; E317-R350 PolarHBondContact OE2-NH1 3.09Å; E317-R350 IonicContact OE2-NH2 3.66Å; E317-R350 PolarHBondContact OE2-NH2 3.14Å; H346-R350 WeakPolarHBondContact O-CB 2.87Å; H346-R350 WeakPolarHBondContact O-CG 3.47Å; H346-R350 PolarHBondContact O-N 2.81Å; F347-R350 PolarHBondContact O-N 3.24Å; F348-R350 PolarHBondContact O-N 3.17Å; R350-Y419 VanDerWaalsContact CD-CZ 3.49Å; R350-Y419 WeakPolarHBondContact CD-OH 3.47Å
351T96.4Very high93.2Very high1 Ų134.8 Ų34.81%0.00617%0.171CC..Hα-helixtrans-91.7-40.5-175.1510000112.6L314 F347 F348 H354 T383 F386L314-T351 HydrophobicContact CD1-CG2 3.45Å; L314-T351 VanDerWaalsContact CD1-CG2 3.45Å; F347-T351 HydrophobicContact CD1-CG2 4.32Å; F347-T351 HydrophobicContact CD2-CG2 4.43Å; F347-T351 HydrophobicContact CE1-CG2 3.97Å; F347-T351 HydrophobicContact CE2-CG2 4.1Å; F347-T351 HydrophobicContact CZ-CG2 3.84Å; F347-T351 WeakPolarHBondContact O-CB 3.32Å; F347-T351 WeakPolarHBondContact O-CG2 3.28Å; F347-T351 PolarHBondContact O-N 3.14Å; F347-T351 PolarHBondContact O-OG1 3.24Å; F348-T351 WeakPolarHBondContact CA-OG1 3.36Å; F348-T351 PolarHBondContact O-N 3.11Å; F348-T351 PolarHBondContact O-OG1 2.84Å; T351-H354 PolarHBondContact O-CE1 2.91Å; T351-H354 VanDerWaalsContact O-CE1 3.29Å; T351-T383 HydrophobicContact CG2-CG2 4.16Å; T351-F386 HydrophobicContact CG2-CD1 4.06Å; T351-F386 HydrophobicContact CG2-CE1 3.98Å
352V95.6Very high92.5Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-128.2-3-171.7-59.80000114.2F244 F348 H354 Y355 F374 V387 F390 F396 F412F244-V352 HydrophobicContact CE2-CG2 4.1Å; F244-V352 HydrophobicContact CZ-CG2 3.99Å; F348-V352 HydrophobicContact CB-CG2 4.22Å; F348-V352 HydrophobicContact CD1-CG2 4.45Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 2.89Å; V352-H354 PolarHBondContact O-N 3.45Å; V352-Y355 WeakPolarHBondContact O-CB 3.36Å; V352-Y355 VanDerWaalsContact O-CD1 3.28Å; V352-Y355 WeakPolarHBondContact O-CD1 3.17Å; V352-Y355 PolarHBondContact O-N 2.87Å; V352-F374 HydrophobicContact CB-CZ 3.84Å; V352-F374 HydrophobicContact CG1-CE1 4.34Å; V352-F374 HydrophobicContact CG1-CZ 3.86Å; V352-V387 HydrophobicContact CG1-CG2 4.48Å; V352-F390 HydrophobicContact CG1-CD1 3.96Å; V352-F390 HydrophobicContact CG1-CE1 3.97Å; V352-F396 HydrophobicContact CB-CE2 4.44Å; V352-F396 HydrophobicContact CG1-CE2 4.11Å; V352-F412 HydrophobicContact CG2-CZ 4.11Å
353G94Very high91.4Very high4 Ų445 Ų454%0.04122%0.223CC..THydrogen-bonded Turntrans-61.6-11-175.900000116.1F348 V349 Y355 I416F348-G353 PolarHBondContact O-N 2.97Å; V349-G353 VanDerWaalsContact O-CA 3.28Å; V349-G353 WeakPolarHBondContact O-CA 3.31Å; V349-G353 PolarHBondContact O-N 3.22Å; V349-G353 VanDerWaalsContact O-N 3.14Å; G353-Y355 VanDerWaalsContact C-N 3.32Å; G353-I416 VanDerWaalsContact O-CG2 3.31Å; G353-I416 WeakPolarHBondContact O-CG2 3.41Å
354H93.4Very high90.2Very high47 Ų4753.9 Ų53.922%0.21826%0.263CS..THydrogen-bonded Turntrans-86.25.117261-68.5000114T351 V352 S356 S357 Y358 F374T351-H354 PolarHBondContact O-CE1 2.91Å; T351-H354 VanDerWaalsContact O-CE1 3.29Å; V352-H354 PolarHBondContact O-N 3.45Å; H354-S356 PolarHBondContact O-N 2.83Å; H354-S356 VanDerWaalsContact O-N 3.12Å; H354-S357 PolarHBondContact O-N 2.86Å; H354-Y358 AromaticContact CD2-CE2 3.53Å; H354-Y358 VanDerWaalsContact O-CD2 3.26Å; H354-Y358 WeakPolarHBondContact O-CD2 3.19Å; H354-F374 AromaticContact CD2-CD2 3.62Å; H354-F374 AromaticContact CD2-CE2 3.61Å; H354-F374 AromaticContact CE1-CE2 3.42Å; H354-F374 VanDerWaalsContact CE1-CE2 3.42Å; H354-F374 WeakPolarHBondContact CE1-CE2 3.18Å; H354-F374 AromaticContact CE1-CZ 3.85Å; H354-F374 AromaticContact CG-CE2 3.99Å; H354-F374 AromaticContact ND1-CE2 3.9Å; H354-F374 AromaticContact NE2-CD2 3.38Å; H354-F374 WeakPolarHBondContact NE2-CD2 3.32Å; H354-F374 AromaticContact NE2-CE2 3.23Å; H354-F374 WeakPolarHBondContact NE2-CE2 3.44Å; H354-F374 AromaticContact NE2-CZ 3.95Å; H354-F374 PolarHBondContact NE2-O 3.28Å; H354-F374 VanDerWaalsContact NE2-O 3.15Å
355Y92.1Very high88.9Confident5 Ų555.2 Ų55.22%0.0228%0.277CS..G310 helixtrans-52.6-37-175.170.5-98.7000113.3V352 G353 S357 Y358 F399 L403 P408 F412 I416V352-Y355 WeakPolarHBondContact O-CB 3.36Å; V352-Y355 VanDerWaalsContact O-CD1 3.28Å; V352-Y355 WeakPolarHBondContact O-CD1 3.17Å; V352-Y355 PolarHBondContact O-N 2.87Å; G353-Y355 VanDerWaalsContact C-N 3.32Å; Y355-S357 PolarHBondContact O-N 3.35Å; Y355-Y358 WeakPolarHBondContact O-CA 3.3Å; Y355-Y358 PolarHBondContact O-N 3.06Å; Y355-F399 HydrophobicContact CD1-CE1 4.24Å; Y355-F399 HydrophobicContact CD1-CZ 4.31Å; Y355-F399 HydrophobicContact CE1-CE1 4.35Å; Y355-F399 AromaticContact CE1-CZ 3.98Å; Y355-F399 HydrophobicContact CE1-CZ 3.98Å; Y355-F399 HydrophobicContact CG-CE1 4.38Å; Y355-L403 HydrophobicContact CD2-CD1 3.42Å; Y355-L403 VanDerWaalsContact CD2-CD1 3.42Å; Y355-L403 HydrophobicContact CE2-CD1 3.32Å; Y355-L403 HydrophobicContact CE2-CD2 3.82Å; Y355-L403 HydrophobicContact CE2-CG 4.21Å; Y355-L403 HydrophobicContact CG-CD1 4.25Å; Y355-P408 HydrophobicContact CE2-CB 4.38Å; Y355-P408 WeakPolarHBondContact OH-CB 3.43Å; Y355-F412 HydrophobicContact CD1-CE1 4.17Å; Y355-F412 HydrophobicContact CE1-CD1 4.15Å; Y355-F412 AromaticContact CE1-CE1 3.6Å; Y355-F412 HydrophobicContact CE1-CE1 3.6Å; Y355-F412 HydrophobicContact CE1-CZ 4.49Å; Y355-I416 HydrophobicContact CD1-CD1 4.22Å; Y355-I416 HydrophobicContact CE1-CD1 3.46Å; Y355-I416 VanDerWaalsContact CE1-CD1 3.46Å
356S88.4Confident88.1Confident47 Ų4759.3 Ų59.333%0.32930%0.304SS..G310 helixtrans-62.8-28.6-172.958.30000112.7H354 Y358H354-S356 PolarHBondContact O-N 2.83Å; H354-S356 VanDerWaalsContact O-N 3.12Å; S356-Y358 PolarHBondContact O-N 3.17Å
357S90.9Very high87.5Confident89 Ų8956.1 Ų56.162%0.62229%0.289SS*.G310 helixtrans-72.8-6.7175.2-52.50000113.8H354 Y355H354-S357 PolarHBondContact O-N 2.86Å; Y355-S357 PolarHBondContact O-N 3.35Å
358Y92.9Very high87.1Confident45 Ų4560.2 Ų60.218%0.17631%0.314CS..G310 helixtrans-119.410.3-176.6-60.3-88.5000112.7H354 Y355 S356 F369 E370 R373 F374 A377H354-Y358 AromaticContact CD2-CE2 3.53Å; H354-Y358 VanDerWaalsContact O-CD2 3.26Å; H354-Y358 WeakPolarHBondContact O-CD2 3.19Å; Y355-Y358 WeakPolarHBondContact O-CA 3.3Å; Y355-Y358 PolarHBondContact O-N 3.06Å; S356-Y358 PolarHBondContact O-N 3.17Å; Y358-F369 WeakPolarHBondContact O-CA 3.41Å; Y358-E370 PolarHBondContact O-N 2.82Å; Y358-R373 HydrophobicContact CD1-CB 3.71Å; Y358-R373 HydrophobicContact CE1-CB 3.87Å; Y358-F374 HydrophobicContact CD1-CB 4.16Å; Y358-F374 HydrophobicContact CD2-CB 4.34Å; Y358-F374 AromaticContact CD2-CD2 3.84Å; Y358-F374 HydrophobicContact CD2-CD2 3.84Å; Y358-F374 HydrophobicContact CE2-CD2 4.5Å; Y358-F374 HydrophobicContact CG-CB 3.88Å; Y358-F374 HydrophobicContact CG-CD2 4.18Å; Y358-A377 HydrophobicContact CE1-CB 4.14Å; Y358-A377 HydrophobicContact CE2-CB 4.41Å; Y358-A377 WeakPolarHBondContact OH-CB 3.41Å
359V89.7Confident86.9Confident13 Ų1360.9 Ų60.98%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-99.5116.9168-1760000108Y361 F369V359-Y361 HydrophobicContact CB-CE2 4.26Å; V359-Y361 HydrophobicContact CG1-CD2 4.4Å; V359-Y361 HydrophobicContact CG1-CE1 4.13Å; V359-Y361 HydrophobicContact CG1-CE2 3.78Å; V359-F369 HydrophobicContact CG2-CD2 3.84Å
360K87.1Confident86.8Confident110 Ų11062.5 Ų62.548%0.47832%0.324SS..EExtended strand (participates in β ladder)trans-98.7117.2176.6-76.7179.2171.2167.40110.3G367 V368 E370K360-G367 CarbonylContact O-C 3.59Å; K360-G367 WeakPolarHBondContact O-CA 3.38Å; K360-V368 PolarHBondContact N-O 2.86Å; K360-V368 PolarHBondContact O-N 2.91Å; K360-E370 HydrophobicContact CD-CG 4.31Å; K360-E370 WeakPolarHBondContact CE-OE1 3.14Å; K360-E370 WeakPolarHBondContact CE-OE2 3.08Å; K360-E370 VanDerWaalsContact NZ-CD 3.31Å; K360-E370 IonicContact NZ-OE1 2.84Å; K360-E370 PolarHBondContact NZ-OE1 3.21Å; K360-E370 IonicContact NZ-OE2 3.96Å; K360-E370 PolarHBondContact NZ-OE2 2.95Å
361Y82.6Confident86.7Confident129 Ų12963 Ų6351%0.50633%0.328SS..PPolyproline II helixtrans-89.3125.4172.2-60.2-84.4000109.8V359 L403V359-Y361 HydrophobicContact CB-CE2 4.26Å; V359-Y361 HydrophobicContact CG1-CD2 4.4Å; V359-Y361 HydrophobicContact CG1-CE1 4.13Å; V359-Y361 HydrophobicContact CG1-CE2 3.78Å; Y361-L403 PolarHBondContact OH-O 3.36Å
362S76.4Confident86.6Confident74 Ų7471 Ų7152%0.51736%0.358SS..PPolyproline II helixtrans-88.8161.8170.372.10000110E364 G365S362-E364 PolarHBondContact O-N 3.34Å; S362-E364 VanDerWaalsContact O-N 3.12Å; S362-G365 VanDerWaalsContact OG-CA 3.31Å; S362-G365 WeakPolarHBondContact OG-CA 3.39Å; S362-G365 PolarHBondContact OG-N 2.96Å; S362-G365 VanDerWaalsContact OG-N 3.09Å
363K70.6Confident86.6Confident216 Ų21677.6 Ų77.694%0.93938%0.383SS*.SBendtrans-62.3-19.6-174.7-71.7-175.3177-178.20114.3
364E68.6Low86.8Confident197 Ų19777.4 Ų77.492%0.92138%0.381SS*.SBendtrans-141.410.3-174.2-64.6-179.1179.700113.8S362S362-E364 PolarHBondContact O-N 3.34Å; S362-E364 VanDerWaalsContact O-N 3.12Å
365G70.8Confident86.9Confident29 Ų2977.2 Ų77.230%0.29938%0.379SS..SBendtrans-136165.8-174.700000113.8S362S362-G365 VanDerWaalsContact OG-CA 3.31Å; S362-G365 WeakPolarHBondContact OG-CA 3.39Å; S362-G365 PolarHBondContact OG-N 2.96Å; S362-G365 VanDerWaalsContact OG-N 3.09Å
366P77.9Confident87.1Confident91 Ų9182.2 Ų82.259%0.59140%0.401SS*.  trans-58.9159.6178.126.8-34.4000111.3
367G82.8Confident87.4Confident0 Ų082.1 Ų82.10%040%0.403CS..  trans-56147.2169.300000110.5K360 E404K360-G367 CarbonylContact O-C 3.59Å; K360-G367 WeakPolarHBondContact O-CA 3.38Å; G367-E404 PolarHBondContact N-O 2.75Å; G367-E404 VanDerWaalsContact N-O 3.11Å; G367-E404 WeakPolarHBondContact O-CB 3.14Å; G367-E404 WeakPolarHBondContact O-CG 3.11Å
368V89.4Confident87.7Confident90 Ų9078.7 Ų78.755%0.54538%0.377SS..EExtended strand (participates in β ladder)trans-120.5119.4171.1-179.30000109.1K360 E404K360-V368 PolarHBondContact N-O 2.86Å; K360-V368 PolarHBondContact O-N 2.91Å; V368-E404 WeakPolarHBondContact CA-OE1 3.42Å
369F93.2Very high87.7Confident15 Ų1585.1 Ų85.17%0.06641%0.409CS..EExtended strand (participates in β ladder)trans-82.9121.2179.7-174.8-109.4000113.4Y358 V359 K371 F374 F396 V400 E404Y358-F369 WeakPolarHBondContact O-CA 3.41Å; V359-F369 HydrophobicContact CG2-CD2 3.84Å; F369-K371 HydrophobicContact CD1-CB 4.42Å; F369-K371 HydrophobicContact CD1-CG 3.6Å; F369-K371 HydrophobicContact CE1-CB 4.41Å; F369-K371 HydrophobicContact CE1-CG 3.86Å; F369-K371 PolarHBondContact O-N 3.23Å; F369-F374 HydrophobicContact CE1-CB 4.26Å; F369-F374 HydrophobicContact CE1-CD1 4.12Å; F369-F374 HydrophobicContact CE1-CG 4.21Å; F369-F374 HydrophobicContact CE2-CB 4.28Å; F369-F374 HydrophobicContact CE2-CD2 4.13Å; F369-F374 HydrophobicContact CE2-CG 4.12Å; F369-F374 HydrophobicContact CZ-CB 3.69Å; F369-F374 AromaticContact CZ-CD1 3.58Å; F369-F374 HydrophobicContact CZ-CD1 3.58Å; F369-F374 AromaticContact CZ-CD2 3.79Å; F369-F374 HydrophobicContact CZ-CD2 3.79Å; F369-F374 HydrophobicContact CZ-CE1 4.07Å; F369-F374 HydrophobicContact CZ-CE2 4.27Å; F369-F374 AromaticContact CZ-CG 3.39Å; F369-F374 HydrophobicContact CZ-CG 3.39Å; F369-F374 HydrophobicContact CZ-CZ 4.37Å; F369-F396 HydrophobicContact CD1-CE1 4.31Å; F369-F396 AromaticContact CE1-CE1 3.59Å; F369-F396 HydrophobicContact CE1-CE1 3.59Å; F369-F396 AromaticContact CE1-CZ 3.79Å; F369-F396 HydrophobicContact CE1-CZ 3.79Å; F369-F396 HydrophobicContact CZ-CE1 4.05Å; F369-F396 AromaticContact CZ-CZ 3.74Å; F369-F396 HydrophobicContact CZ-CZ 3.74Å; F369-V400 HydrophobicContact CB-CG1 3.38Å; F369-V400 HydrophobicContact CD1-CG1 4.1Å; F369-V400 HydrophobicContact CD1-CG2 3.98Å; F369-V400 HydrophobicContact CD2-CG2 4.47Å; F369-V400 HydrophobicContact CE1-CG2 4.23Å; F369-V400 HydrophobicContact CG-CG1 3.78Å; F369-V400 HydrophobicContact CG-CG2 4.1Å; F369-E404 WeakPolarHBondContact CB-OE1 3.43Å; F369-E404 PolarHBondContact N-OE1 2.83Å
370E93.9Very high88.1Confident43 Ų4386.9 Ų86.920%0.20142%0.422CS..  trans-85.271.2-177.7-62.8-174108.600112.5Y358 K360 R372 R373 F374Y358-E370 PolarHBondContact O-N 2.82Å; K360-E370 HydrophobicContact CD-CG 4.31Å; K360-E370 WeakPolarHBondContact CE-OE1 3.14Å; K360-E370 WeakPolarHBondContact CE-OE2 3.08Å; K360-E370 VanDerWaalsContact NZ-CD 3.31Å; K360-E370 IonicContact NZ-OE1 2.84Å; K360-E370 PolarHBondContact NZ-OE1 3.21Å; K360-E370 IonicContact NZ-OE2 3.96Å; K360-E370 PolarHBondContact NZ-OE2 2.95Å; E370-R372 VanDerWaalsContact C-N 3.27Å; E370-R372 PolarHBondContact O-N 2.86Å; E370-R373 HydrophobicContact CB-CB 4.12Å; E370-R373 HydrophobicContact CB-CG 4.37Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 WeakPolarHBondContact OE1-CD 3.19Å; E370-R373 IonicContact OE1-NH1 3.67Å; E370-R373 PolarHBondContact OE1-NH1 3.45Å; E370-R373 IonicContact OE2-CZ 3.9Å; E370-R373 IonicContact OE2-NE 2.64Å; E370-R373 IonicContact OE2-NH1 2.73Å; E370-R373 PolarHBondContact OE2-NH1 2.92Å; E370-F374 PolarHBondContact O-N 2.89Å
371K94.1Very high88.5Confident77 Ų7789.9 Ų89.934%0.33544%0.435SS..Hα-helixtrans-41.7-49.1-177-68.6-173.2-179.1-172.90113.2F369 F374 Y375 I391 D397F369-K371 HydrophobicContact CD1-CB 4.42Å; F369-K371 HydrophobicContact CD1-CG 3.6Å; F369-K371 HydrophobicContact CE1-CB 4.41Å; F369-K371 HydrophobicContact CE1-CG 3.86Å; F369-K371 PolarHBondContact O-N 3.23Å; K371-F374 PolarHBondContact O-N 3.04Å; K371-Y375 WeakPolarHBondContact O-CD1 3.35Å; K371-Y375 PolarHBondContact O-N 2.93Å; K371-I391 HydrophobicContact CB-CD1 4.47Å; K371-D397 IonicContact NZ-OD1 3.12Å; K371-D397 PolarHBondContact NZ-OD1 2.87Å
372R94.6Very high89.2Confident170 Ų17087.2 Ų87.264%0.64243%0.432SS*.Hα-helixtrans-67.6-36.9-176.8-166.6176.3-171.6-169.80.2114E370 Y375 K376E370-R372 VanDerWaalsContact C-N 3.27Å; E370-R372 PolarHBondContact O-N 2.86Å; R372-Y375 HydrophobicContact CB-CE1 4.35Å; R372-Y375 HydrophobicContact CG-CE1 4.26Å; R372-K376 HydrophobicContact CG-CD 4.26Å; R372-K376 WeakPolarHBondContact O-CB 3.42Å; R372-K376 WeakPolarHBondContact O-CD 3.33Å; R372-K376 WeakPolarHBondContact O-CG 3.11Å
373R95.9Very high90.2Very high138 Ų13884.5 Ų84.552%0.52141%0.412SS..Hα-helixtrans-75.3-38.9178.9-66.8-178.373.2-161.53.2110.3Y358 E370 K376 A377Y358-R373 HydrophobicContact CD1-CB 3.71Å; Y358-R373 HydrophobicContact CE1-CB 3.87Å; E370-R373 HydrophobicContact CB-CB 4.12Å; E370-R373 HydrophobicContact CB-CG 4.37Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 WeakPolarHBondContact OE1-CD 3.19Å; E370-R373 IonicContact OE1-NH1 3.67Å; E370-R373 PolarHBondContact OE1-NH1 3.45Å; E370-R373 IonicContact OE2-CZ 3.9Å; E370-R373 IonicContact OE2-NE 2.64Å; E370-R373 IonicContact OE2-NH1 2.73Å; E370-R373 PolarHBondContact OE2-NH1 2.92Å; R373-K376 PolarHBondContact O-N 2.96Å; R373-A377 PolarHBondContact O-N 3.11Å; R373-A377 VanDerWaalsContact O-N 3.08Å
374F96.6Very high91.4Very high0 Ų078.2 Ų78.20%038%0.383CS..Hα-helixtrans-55.8-55.5-179.5169.6-108.3000113.6V352 H354 Y358 F369 E370 K371 V387 I391 F396V352-F374 HydrophobicContact CB-CZ 3.84Å; V352-F374 HydrophobicContact CG1-CE1 4.34Å; V352-F374 HydrophobicContact CG1-CZ 3.86Å; H354-F374 AromaticContact CD2-CD2 3.62Å; H354-F374 AromaticContact CD2-CE2 3.61Å; H354-F374 AromaticContact CE1-CE2 3.42Å; H354-F374 VanDerWaalsContact CE1-CE2 3.42Å; H354-F374 WeakPolarHBondContact CE1-CE2 3.18Å; H354-F374 AromaticContact CE1-CZ 3.85Å; H354-F374 AromaticContact CG-CE2 3.99Å; H354-F374 AromaticContact ND1-CE2 3.9Å; H354-F374 AromaticContact NE2-CD2 3.38Å; H354-F374 WeakPolarHBondContact NE2-CD2 3.32Å; H354-F374 AromaticContact NE2-CE2 3.23Å; H354-F374 WeakPolarHBondContact NE2-CE2 3.44Å; H354-F374 AromaticContact NE2-CZ 3.95Å; H354-F374 PolarHBondContact NE2-O 3.28Å; H354-F374 VanDerWaalsContact NE2-O 3.15Å; Y358-F374 HydrophobicContact CD1-CB 4.16Å; Y358-F374 HydrophobicContact CD2-CB 4.34Å; Y358-F374 AromaticContact CD2-CD2 3.84Å; Y358-F374 HydrophobicContact CD2-CD2 3.84Å; Y358-F374 HydrophobicContact CE2-CD2 4.5Å; Y358-F374 HydrophobicContact CG-CB 3.88Å; Y358-F374 HydrophobicContact CG-CD2 4.18Å; F369-F374 HydrophobicContact CE1-CB 4.26Å; F369-F374 HydrophobicContact CE1-CD1 4.12Å; F369-F374 HydrophobicContact CE1-CG 4.21Å; F369-F374 HydrophobicContact CE2-CB 4.28Å; F369-F374 HydrophobicContact CE2-CD2 4.13Å; F369-F374 HydrophobicContact CE2-CG 4.12Å; F369-F374 HydrophobicContact CZ-CB 3.69Å; F369-F374 AromaticContact CZ-CD1 3.58Å; F369-F374 HydrophobicContact CZ-CD1 3.58Å; F369-F374 AromaticContact CZ-CD2 3.79Å; F369-F374 HydrophobicContact CZ-CD2 3.79Å; F369-F374 HydrophobicContact CZ-CE1 4.07Å; F369-F374 HydrophobicContact CZ-CE2 4.27Å; F369-F374 AromaticContact CZ-CG 3.39Å; F369-F374 HydrophobicContact CZ-CG 3.39Å; F369-F374 HydrophobicContact CZ-CZ 4.37Å; E370-F374 PolarHBondContact O-N 2.89Å; K371-F374 PolarHBondContact O-N 3.04Å; F374-V387 HydrophobicContact CD1-CG1 4.24Å; F374-V387 HydrophobicContact CE1-CG1 3.59Å; F374-V387 HydrophobicContact CZ-CG1 4.37Å; F374-I391 HydrophobicContact CD1-CG2 4.08Å; F374-I391 HydrophobicContact CE1-CG2 3.75Å; F374-F396 HydrophobicContact CE1-CE2 4.36Å; F374-F396 AromaticContact CE1-CZ 3.96Å; F374-F396 HydrophobicContact CE1-CZ 3.96Å; F374-F396 HydrophobicContact CZ-CZ 4.35Å
375Y95.9Very high92.8Very high44 Ų4473.9 Ų73.917%0.17336%0.362CS..Hα-helixtrans-74-30.3-179.175.5-104.9000112K371 R372 A377 I378 R384 I391K371-Y375 WeakPolarHBondContact O-CD1 3.35Å; K371-Y375 PolarHBondContact O-N 2.93Å; R372-Y375 HydrophobicContact CB-CE1 4.35Å; R372-Y375 HydrophobicContact CG-CE1 4.26Å; Y375-A377 VanDerWaalsContact C-N 3.25Å; Y375-A377 PolarHBondContact O-N 3.41Å; Y375-I378 WeakPolarHBondContact O-CB 3.35Å; Y375-I378 PolarHBondContact O-N 3.12Å; Y375-R384 HydrophobicContact CD2-CG 4.06Å; Y375-R384 WeakPolarHBondContact O-CG 3.37Å; Y375-I391 HydrophobicContact CD1-CD1 3.67Å; Y375-I391 HydrophobicContact CE1-CD1 4.41Å; Y375-I391 HydrophobicContact CG-CD1 4.45Å
376K96.2Very high94.1Very high110 Ų11072.6 Ų72.648%0.47835%0.348SS..Hα-helixtrans-66.2-27.6178.3-81.3-175.2175.3-170.80113.1R372 R373 I378R372-K376 HydrophobicContact CG-CD 4.26Å; R372-K376 WeakPolarHBondContact O-CB 3.42Å; R372-K376 WeakPolarHBondContact O-CD 3.33Å; R372-K376 WeakPolarHBondContact O-CG 3.11Å; R373-K376 PolarHBondContact O-N 2.96Å; K376-I378 PolarHBondContact O-N 2.62Å
377A95.8Very high95Very high45 Ų4568.2 Ų68.237%0.37232%0.32SS..THydrogen-bonded Turntrans-69.6-15.5177.100000114Y358 R373 Y375 E379Y358-A377 HydrophobicContact CE1-CB 4.14Å; Y358-A377 HydrophobicContact CE2-CB 4.41Å; Y358-A377 WeakPolarHBondContact OH-CB 3.41Å; R373-A377 PolarHBondContact O-N 3.11Å; R373-A377 VanDerWaalsContact O-N 3.08Å; Y375-A377 VanDerWaalsContact C-N 3.25Å; Y375-A377 PolarHBondContact O-N 3.41Å; A377-E379 PolarHBondContact O-N 3.16Å
378I96.2Very high95.7Very high17 Ų1773.8 Ų73.89%0.08734%0.344CS..  trans-75.2118.2177.1-59.1171.9000108.7Y375 K376 T383 R384 V387Y375-I378 WeakPolarHBondContact O-CB 3.35Å; Y375-I378 PolarHBondContact O-N 3.12Å; K376-I378 PolarHBondContact O-N 2.62Å; I378-T383 HydrophobicContact CG2-CG2 3.82Å; I378-R384 HydrophobicContact CB-CB 4.23Å; I378-R384 HydrophobicContact CG2-CB 4.18Å; I378-R384 PolarHBondContact O-NE 2.87Å; I378-R384 PolarHBondContact O-NH2 2.86Å; I378-V387 HydrophobicContact CD1-CB 3.66Å; I378-V387 HydrophobicContact CD1-CG1 3.74Å; I378-V387 HydrophobicContact CD1-CG2 3.57Å
379E94.1Very high96.1Very high180 Ų18073.3 Ų73.384%0.84134%0.335SS*.  trans-68.6-45.4-179.1-66.5173-176.500112.7A377 K381 R384A377-E379 PolarHBondContact O-N 3.16Å; E379-K381 PolarHBondContact O-N 2.76Å; E379-R384 PolarHBondContact O-NH2 3.34Å
380S96.6Very high96.3Very high49 Ų4972.6 Ų72.634%0.34333%0.332SS..  trans-63.3121.5-179.8169.70000111.7T382 T383 R384S380-T382 PolarHBondContact O-N 2.91Å; S380-T382 PolarHBondContact OG-OG1 2.76Å; S380-T383 WeakPolarHBondContact CB-OG1 3.28Å; S380-T383 PolarHBondContact O-N 2.76Å; S380-T383 PolarHBondContact OG-N 3.17Å; S380-T383 PolarHBondContact OG-OG1 2.68Å; S380-R384 WeakPolarHBondContact O-CB 3.34Å; S380-R384 PolarHBondContact O-N 3.19Å
381K96.1Very high96.5Very high174 Ų17470.7 Ų70.776%0.75732%0.323SS*.Hα-helixtrans-62.3-42.8-179.8-67.8-177.3-177.3176.60112.4E379 R384 H385E379-K381 PolarHBondContact O-N 2.76Å; K381-R384 PolarHBondContact O-N 2.85Å; K381-H385 WeakPolarHBondContact O-CB 3.31Å; K381-H385 PolarHBondContact O-N 3.09Å
382T96.7Very high96.6Very high72 Ų7273.9 Ų73.944%0.44234%0.339SS..Hα-helixtrans-67.9-43.9-179.951.20000111.2S380 H385 F386S380-T382 PolarHBondContact O-N 2.91Å; S380-T382 PolarHBondContact OG-OG1 2.76Å; T382-H385 PolarHBondContact O-N 2.84Å; T382-F386 PolarHBondContact O-N 3.09Å
383T97.4Very high96.8Very high17 Ų1766.2 Ų66.210%0.10431%0.311CS..Hα-helixtrans-63.3-42.9174.7-49.60000111.6P311 T351 I378 S380 H385 F386 V387P311-T383 HydrophobicContact CG-CG2 4.39Å; T351-T383 HydrophobicContact CG2-CG2 4.16Å; I378-T383 HydrophobicContact CG2-CG2 3.82Å; S380-T383 WeakPolarHBondContact CB-OG1 3.28Å; S380-T383 PolarHBondContact O-N 2.76Å; S380-T383 PolarHBondContact OG-N 3.17Å; S380-T383 PolarHBondContact OG-OG1 2.68Å; T383-H385 VanDerWaalsContact C-N 3.32Å; T383-H385 PolarHBondContact O-N 3.3Å; T383-F386 PolarHBondContact O-N 2.82Å; T383-V387 HydrophobicContact CG2-CG2 4.42Å; T383-V387 WeakPolarHBondContact O-CB 2.93Å; T383-V387 WeakPolarHBondContact O-CG2 3.36Å; T383-V387 PolarHBondContact O-N 2.82Å
384R97.7Very high96.8Very high84 Ų8463.5 Ų63.532%0.31730%0.304SS..Hα-helixtrans-60.5-41.7175.5-175.8-174.2-54.4148.40111.9Y375 I378 E379 S380 K381 V387 K388Y375-R384 HydrophobicContact CD2-CG 4.06Å; Y375-R384 WeakPolarHBondContact O-CG 3.37Å; I378-R384 HydrophobicContact CB-CB 4.23Å; I378-R384 HydrophobicContact CG2-CB 4.18Å; I378-R384 PolarHBondContact O-NE 2.87Å; I378-R384 PolarHBondContact O-NH2 2.86Å; E379-R384 PolarHBondContact O-NH2 3.34Å; S380-R384 WeakPolarHBondContact O-CB 3.34Å; S380-R384 PolarHBondContact O-N 3.19Å; K381-R384 PolarHBondContact O-N 2.85Å; R384-V387 PolarHBondContact O-N 3.31Å; R384-K388 VanDerWaalsContact O-CB 3.32Å; R384-K388 WeakPolarHBondContact O-CB 3.46Å; R384-K388 PolarHBondContact O-N 2.8Å
385H96.8Very high96.8Very high107 Ų10763.6 Ų63.650%0.49531%0.305SS..Hα-helixtrans-63.2-48.4177.9-176.670.2000111.8K381 T382 T383 K388 K389K381-H385 WeakPolarHBondContact O-CB 3.31Å; K381-H385 PolarHBondContact O-N 3.09Å; T382-H385 PolarHBondContact O-N 2.84Å; T383-H385 VanDerWaalsContact C-N 3.32Å; T383-H385 PolarHBondContact O-N 3.3Å; H385-K388 PolarHBondContact O-N 2.8Å; H385-K389 PolarHBondContact O-N 3.41Å
386F97.9Very high96.8Very high1 Ų161.5 Ų61.50%0.00430%0.296CS..Hα-helixtrans-55.2-55172.9166.9-101.7000111.3V215 L216 I309 L310 P311 F347 T351 T382 T383 K388 K389 F390V215-F386 HydrophobicContact CG1-CE2 3.73Å; V215-F386 HydrophobicContact CG1-CZ 4.07Å; V215-F386 HydrophobicContact CG2-CE2 4.49Å; V215-F386 HydrophobicContact CG2-CZ 4.02Å; L216-F386 HydrophobicContact CD2-CE2 4.42Å; I309-F386 HydrophobicContact CG2-CD2 4.16Å; I309-F386 HydrophobicContact CG2-CE2 4.33Å; I309-F386 WeakPolarHBondContact O-CD2 3.26Å; L310-F386 HydrophobicContact CD2-CD2 4.25Å; L310-F386 HydrophobicContact CD2-CE2 3.84Å; L310-F386 HydrophobicContact CD2-CZ 4.42Å; P311-F386 HydrophobicContact CG-CB 3.89Å; P311-F386 HydrophobicContact CG-CD1 4.47Å; P311-F386 HydrophobicContact CG-CG 4.28Å; F347-F386 AromaticContact CE1-CE1 3.64Å; F347-F386 HydrophobicContact CE1-CE1 3.64Å; F347-F386 AromaticContact CE1-CZ 3.61Å; F347-F386 HydrophobicContact CE1-CZ 3.61Å; F347-F386 HydrophobicContact CZ-CD1 4.06Å; F347-F386 AromaticContact CZ-CE1 3.47Å; F347-F386 HydrophobicContact CZ-CE1 3.47Å; F347-F386 VanDerWaalsContact CZ-CE1 3.47Å; F347-F386 HydrophobicContact CZ-CE2 4.13Å; F347-F386 AromaticContact CZ-CZ 3.52Å; F347-F386 HydrophobicContact CZ-CZ 3.52Å; T351-F386 HydrophobicContact CG2-CD1 4.06Å; T351-F386 HydrophobicContact CG2-CE1 3.98Å; T382-F386 PolarHBondContact O-N 3.09Å; T383-F386 PolarHBondContact O-N 2.82Å; F386-K388 VanDerWaalsContact C-N 3.25Å; F386-K388 PolarHBondContact O-N 3.16Å; F386-K389 WeakPolarHBondContact O-CB 3.42Å; F386-K389 PolarHBondContact O-N 3.12Å; F386-F390 HydrophobicContact CE1-CB 4.13Å; F386-F390 HydrophobicContact CE1-CD1 4.46Å; F386-F390 HydrophobicContact CE1-CG 4.34Å; F386-F390 HydrophobicContact CE2-CB 4.37Å; F386-F390 HydrophobicContact CZ-CB 3.96Å; F386-F390 HydrophobicContact CZ-CD2 4.47Å; F386-F390 HydrophobicContact CZ-CG 4.08Å; F386-F390 PolarHBondContact O-N 2.72Å
387V98.1Very high96.8Very high0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-60.6-36.8-177.51720000111.3V352 F374 I378 T383 R384 K389 F390 I391V352-V387 HydrophobicContact CG1-CG2 4.48Å; F374-V387 HydrophobicContact CD1-CG1 4.24Å; F374-V387 HydrophobicContact CE1-CG1 3.59Å; F374-V387 HydrophobicContact CZ-CG1 4.37Å; I378-V387 HydrophobicContact CD1-CB 3.66Å; I378-V387 HydrophobicContact CD1-CG1 3.74Å; I378-V387 HydrophobicContact CD1-CG2 3.57Å; T383-V387 HydrophobicContact CG2-CG2 4.42Å; T383-V387 WeakPolarHBondContact O-CB 2.93Å; T383-V387 WeakPolarHBondContact O-CG2 3.36Å; T383-V387 PolarHBondContact O-N 2.82Å; R384-V387 PolarHBondContact O-N 3.31Å; V387-K389 VanDerWaalsContact C-N 3.27Å; V387-K389 PolarHBondContact O-N 3.14Å; V387-F390 PolarHBondContact O-N 3.07Å; V387-I391 HydrophobicContact CG1-CG2 3.85Å; V387-I391 WeakPolarHBondContact O-CG1 3.47Å; V387-I391 WeakPolarHBondContact O-CG2 3.36Å; V387-I391 PolarHBondContact O-N 2.91Å
388K97.4Very high96.6Very high117 Ų11758.2 Ų58.251%0.50928%0.278SS..Hα-helixtrans-59.8-37.3176.2-171.7-174.6176.3-166.20112.4R384 H385 F386 I391R384-K388 VanDerWaalsContact O-CB 3.32Å; R384-K388 WeakPolarHBondContact O-CB 3.46Å; R384-K388 PolarHBondContact O-N 2.8Å; H385-K388 PolarHBondContact O-N 2.8Å; F386-K388 VanDerWaalsContact C-N 3.25Å; F386-K388 PolarHBondContact O-N 3.16Å; K388-I391 WeakPolarHBondContact O-CG1 3.41Å
389K97.1Very high96.5Very high80 Ų8058.4 Ų58.435%0.34828%0.278SS..Hα-helixtrans-72.5-49.3172.5-67.1-175.5170.7-1740110.6L216 H385 F386 V387 I391 Q392L216-K389 HydrophobicContact CD1-CD 4.16Å; L216-K389 HydrophobicContact CD2-CB 3.92Å; H385-K389 PolarHBondContact O-N 3.41Å; F386-K389 WeakPolarHBondContact O-CB 3.42Å; F386-K389 PolarHBondContact O-N 3.12Å; V387-K389 VanDerWaalsContact C-N 3.27Å; V387-K389 PolarHBondContact O-N 3.14Å; K389-I391 PolarHBondContact O-N 2.91Å; K389-Q392 WeakPolarHBondContact O-CB 3.41Å; K389-Q392 PolarHBondContact O-N 3.24Å
390F98.2Very high96.3Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-59-39.8-175.3-179.5-125.2000113.8V215 F244 F348 V352 F386 V387 Q392 T393 F396V215-F390 HydrophobicContact CG2-CD2 3.71Å; V215-F390 HydrophobicContact CG2-CE2 3.52Å; V215-F390 HydrophobicContact CG2-CZ 4.24Å; V215-F390 VanDerWaalsContact O-CD2 3.24Å; V215-F390 WeakPolarHBondContact O-CD2 3.3Å; F244-F390 HydrophobicContact CD1-CZ 4.07Å; F244-F390 HydrophobicContact CD2-CE1 4.36Å; F244-F390 AromaticContact CD2-CZ 3.7Å; F244-F390 HydrophobicContact CD2-CZ 3.7Å; F244-F390 HydrophobicContact CE1-CE1 4.16Å; F244-F390 AromaticContact CE1-CZ 3.93Å; F244-F390 HydrophobicContact CE1-CZ 3.93Å; F244-F390 AromaticContact CE2-CE1 3.76Å; F244-F390 HydrophobicContact CE2-CE1 3.76Å; F244-F390 AromaticContact CE2-CZ 3.58Å; F244-F390 HydrophobicContact CE2-CZ 3.58Å; F244-F390 AromaticContact CG-CZ 3.97Å; F244-F390 HydrophobicContact CG-CZ 3.97Å; F244-F390 AromaticContact CZ-CE1 3.65Å; F244-F390 HydrophobicContact CZ-CE1 3.65Å; F244-F390 AromaticContact CZ-CZ 3.7Å; F244-F390 HydrophobicContact CZ-CZ 3.7Å; F348-F390 HydrophobicContact CD1-CE1 4.41Å; F348-F390 HydrophobicContact CD1-CZ 4.43Å; F348-F390 HydrophobicContact CE1-CE1 4.24Å; F348-F390 HydrophobicContact CE1-CE2 4.48Å; F348-F390 AromaticContact CE1-CZ 3.88Å; F348-F390 HydrophobicContact CE1-CZ 3.88Å; V352-F390 HydrophobicContact CG1-CD1 3.96Å; V352-F390 HydrophobicContact CG1-CE1 3.97Å; F386-F390 HydrophobicContact CE1-CB 4.13Å; F386-F390 HydrophobicContact CE1-CD1 4.46Å; F386-F390 HydrophobicContact CE1-CG 4.34Å; F386-F390 HydrophobicContact CE2-CB 4.37Å; F386-F390 HydrophobicContact CZ-CB 3.96Å; F386-F390 HydrophobicContact CZ-CD2 4.47Å; F386-F390 HydrophobicContact CZ-CG 4.08Å; F386-F390 PolarHBondContact O-N 2.72Å; V387-F390 PolarHBondContact O-N 3.07Å; F390-Q392 PolarHBondContact O-N 3.22Å; F390-Q392 VanDerWaalsContact O-N 3.08Å; F390-T393 HydrophobicContact CD2-CG2 4.14Å; F390-T393 VanDerWaalsContact O-CB 3.31Å; F390-T393 WeakPolarHBondContact O-CB 3.31Å; F390-T393 VanDerWaalsContact O-CG2 3.26Å; F390-T393 WeakPolarHBondContact O-CG2 3.3Å; F390-T393 PolarHBondContact O-N 3.49Å; F390-T393 PolarHBondContact O-OG1 3.32Å; F390-F396 AromaticContact CD1-CD2 3.99Å; F390-F396 HydrophobicContact CD1-CD2 3.99Å; F390-F396 AromaticContact CE1-CD2 3.61Å; F390-F396 HydrophobicContact CE1-CD2 3.61Å; F390-F396 HydrophobicContact CE1-CE2 4.35Å; F390-F396 HydrophobicContact CE1-CG 4.47Å; F390-F396 HydrophobicContact CZ-CB 4.45Å; F390-F396 HydrophobicContact CZ-CD2 4.24Å
391I96.9Very high96Very high3 Ų351.2 Ų51.22%0.01524%0.239CC..THydrogen-bonded Turntrans-68.6-6178.866.7176.3000114.5K371 F374 Y375 V387 K388 K389 F396K371-I391 HydrophobicContact CB-CD1 4.47Å; F374-I391 HydrophobicContact CD1-CG2 4.08Å; F374-I391 HydrophobicContact CE1-CG2 3.75Å; Y375-I391 HydrophobicContact CD1-CD1 3.67Å; Y375-I391 HydrophobicContact CE1-CD1 4.41Å; Y375-I391 HydrophobicContact CG-CD1 4.45Å; V387-I391 HydrophobicContact CG1-CG2 3.85Å; V387-I391 WeakPolarHBondContact O-CG1 3.47Å; V387-I391 WeakPolarHBondContact O-CG2 3.36Å; V387-I391 PolarHBondContact O-N 2.91Å; K388-I391 WeakPolarHBondContact O-CG1 3.41Å; K389-I391 PolarHBondContact O-N 2.91Å; I391-F396 HydrophobicContact CB-CD1 3.83Å; I391-F396 HydrophobicContact CB-CE1 3.88Å; I391-F396 HydrophobicContact CB-CG 4.35Å; I391-F396 HydrophobicContact CB-CZ 4.46Å; I391-F396 HydrophobicContact CG2-CD1 3.91Å; I391-F396 HydrophobicContact CG2-CD2 4.3Å; I391-F396 HydrophobicContact CG2-CE1 3.61Å; I391-F396 HydrophobicContact CG2-CE2 4.03Å; I391-F396 HydrophobicContact CG2-CG 4.25Å; I391-F396 HydrophobicContact CG2-CZ 3.68Å
392Q96.9Very high95.5Very high144 Ų14449 Ų4967%0.67323%0.232SC*.THydrogen-bonded Turntrans-87.6-9.7172.6-53.8-57.4-44.600112.4K389 F390K389-Q392 WeakPolarHBondContact O-CB 3.41Å; K389-Q392 PolarHBondContact O-N 3.24Å; F390-Q392 PolarHBondContact O-N 3.22Å; F390-Q392 VanDerWaalsContact O-N 3.08Å
393T98Very high94.9Very high8 Ų846.3 Ų46.35%0.04921%0.214CC..SBendtrans-71.9150.4-179.563.10000111.6E217 F390 M395 F396 D397E217-T393 VanDerWaalsContact CD-CB 3.41Å; E217-T393 HydrophobicContact CG-CG2 4Å; E217-T393 WeakPolarHBondContact OE2-CA 3.24Å; F390-T393 HydrophobicContact CD2-CG2 4.14Å; F390-T393 VanDerWaalsContact O-CB 3.31Å; F390-T393 WeakPolarHBondContact O-CB 3.31Å; F390-T393 VanDerWaalsContact O-CG2 3.26Å; F390-T393 WeakPolarHBondContact O-CG2 3.3Å; F390-T393 PolarHBondContact O-N 3.49Å; F390-T393 PolarHBondContact O-OG1 3.32Å; T393-M395 VanDerWaalsContact C-N 3.29Å; T393-M395 PolarHBondContact O-N 2.87Å; T393-F396 PolarHBondContact O-N 3.37Å; T393-F396 WeakPolarHBondContact OG1-CB 3.38Å; T393-F396 PolarHBondContact OG1-N 3.45Å; T393-D397 PolarHBondContact O-N 3.42Å; T393-D397 VanDerWaalsContact O-N 3.13Å
394Q96.8Very high94.2Very high81 Ų8147.7 Ų47.738%0.37922%0.22SC..Hα-helixtrans-63-38.7174.7-172.961.730.100111.4E217 Q247 F396 D397 L398E217-Q394 VanDerWaalsContact CD-N 3.27Å; E217-Q394 WeakPolarHBondContact OE1-CA 3.24Å; E217-Q394 WeakPolarHBondContact OE1-CB 3.42Å; E217-Q394 PolarHBondContact OE1-N 3.02Å; E217-Q394 PolarHBondContact OE2-N 3.36Å; Q247-Q394 HydrophobicContact CB-CB 4.34Å; Q247-Q394 HydrophobicContact CB-CG 3.86Å; Q247-Q394 HydrophobicContact CG-CG 4.23Å; Q394-F396 VanDerWaalsContact C-N 3.34Å; Q394-F396 PolarHBondContact O-N 3.28Å; Q394-D397 PolarHBondContact O-N 3.18Å; Q394-L398 HydrophobicContact CG-CD1 4.26Å; Q394-L398 PolarHBondContact O-N 3.15Å
395M95.8Very high93.3Very high2 Ų250.8 Ų50.81%0.0124%0.238CC..Hα-helixtrans-53.6-48.5174.3-76.8-160.8-76.500112.1A214 E217 L241 F244 T245 W246 Q247 T393 F399A214-M395 WeakPolarHBondContact O-CE 3.24Å; E217-M395 HydrophobicContact CG-CE 3.68Å; E217-M395 HydrophobicContact CG-CG 4.41Å; E217-M395 WeakPolarHBondContact OE1-CB 3.43Å; E217-M395 WeakPolarHBondContact OE1-CG 3.19Å; E217-M395 PolarHBondContact OE1-N 3.31Å; L241-M395 HydrophobicContact CB-SD 4.41Å; L241-M395 HydrophobicContact CD1-CE 4.09Å; L241-M395 HydrophobicContact CD1-SD 3.8Å; L241-M395 HydrophobicContact CD2-CE 4.22Å; F244-M395 HydrophobicContact CB-CB 4.22Å; F244-M395 HydrophobicContact CB-SD 4.19Å; T245-M395 VanDerWaalsContact O-CG 3.24Å; T245-M395 WeakPolarHBondContact O-CG 3.22Å; W246-M395 HydrophobicContact CE3-CE 4.12Å; W246-M395 HydrophobicContact CE3-SD 4.28Å; W246-M395 HydrophobicContact CZ3-CE 4.41Å; Q247-M395 HydrophobicContact CG-CG 4.03Å; T393-M395 VanDerWaalsContact C-N 3.29Å; T393-M395 PolarHBondContact O-N 2.87Å; M395-F399 WeakPolarHBondContact O-CB 3.44Å; M395-F399 PolarHBondContact O-N 3.21Å; M395-F399 VanDerWaalsContact O-N 3.12Å
396F96.5Very high92.2Very high0 Ų052.2 Ų52.20%024%0.244CC..Hα-helixtrans-69.7-38.5179.2-173.2-88.9000111.8F244 V352 F369 F374 F390 I391 T393 Q394 F399 V400F244-F396 HydrophobicContact CE1-CB 4.34Å; F244-F396 AromaticContact CE1-CD2 3.64Å; F244-F396 HydrophobicContact CE1-CD2 3.64Å; F244-F396 HydrophobicContact CE1-CE2 4.37Å; F244-F396 HydrophobicContact CE1-CG 4.36Å; F244-F396 AromaticContact CZ-CD2 3.87Å; F244-F396 HydrophobicContact CZ-CD2 3.87Å; F244-F396 HydrophobicContact CZ-CE2 4.32Å; V352-F396 HydrophobicContact CB-CE2 4.44Å; V352-F396 HydrophobicContact CG1-CE2 4.11Å; F369-F396 HydrophobicContact CD1-CE1 4.31Å; F369-F396 AromaticContact CE1-CE1 3.59Å; F369-F396 HydrophobicContact CE1-CE1 3.59Å; F369-F396 AromaticContact CE1-CZ 3.79Å; F369-F396 HydrophobicContact CE1-CZ 3.79Å; F369-F396 HydrophobicContact CZ-CE1 4.05Å; F369-F396 AromaticContact CZ-CZ 3.74Å; F369-F396 HydrophobicContact CZ-CZ 3.74Å; F374-F396 HydrophobicContact CE1-CE2 4.36Å; F374-F396 AromaticContact CE1-CZ 3.96Å; F374-F396 HydrophobicContact CE1-CZ 3.96Å; F374-F396 HydrophobicContact CZ-CZ 4.35Å; F390-F396 AromaticContact CD1-CD2 3.99Å; F390-F396 HydrophobicContact CD1-CD2 3.99Å; F390-F396 AromaticContact CE1-CD2 3.61Å; F390-F396 HydrophobicContact CE1-CD2 3.61Å; F390-F396 HydrophobicContact CE1-CE2 4.35Å; F390-F396 HydrophobicContact CE1-CG 4.47Å; F390-F396 HydrophobicContact CZ-CB 4.45Å; F390-F396 HydrophobicContact CZ-CD2 4.24Å; I391-F396 HydrophobicContact CB-CD1 3.83Å; I391-F396 HydrophobicContact CB-CE1 3.88Å; I391-F396 HydrophobicContact CB-CG 4.35Å; I391-F396 HydrophobicContact CB-CZ 4.46Å; I391-F396 HydrophobicContact CG2-CD1 3.91Å; I391-F396 HydrophobicContact CG2-CD2 4.3Å; I391-F396 HydrophobicContact CG2-CE1 3.61Å; I391-F396 HydrophobicContact CG2-CE2 4.03Å; I391-F396 HydrophobicContact CG2-CG 4.25Å; I391-F396 HydrophobicContact CG2-CZ 3.68Å; T393-F396 PolarHBondContact O-N 3.37Å; T393-F396 WeakPolarHBondContact OG1-CB 3.38Å; T393-F396 PolarHBondContact OG1-N 3.45Å; Q394-F396 VanDerWaalsContact C-N 3.34Å; Q394-F396 PolarHBondContact O-N 3.28Å; F396-F399 PolarHBondContact O-N 2.82Å; F396-V400 HydrophobicContact CD1-CG2 3.96Å; F396-V400 HydrophobicContact CE1-CG2 3.45Å; F396-V400 VanDerWaalsContact CE1-CG2 3.45Å; F396-V400 HydrophobicContact CZ-CG2 3.85Å; F396-V400 WeakPolarHBondContact O-CG2 3.3Å; F396-V400 PolarHBondContact O-N 2.98Å
397D94.9Very high90.8Very high43 Ų4360.1 Ų60.123%0.2328%0.281CS..Hα-helixtrans-62.9-46.9179.5-158.471.6000111.6K371 T393 Q394 F399 V400 Q401K371-D397 IonicContact NZ-OD1 3.12Å; K371-D397 PolarHBondContact NZ-OD1 2.87Å; T393-D397 PolarHBondContact O-N 3.42Å; T393-D397 VanDerWaalsContact O-N 3.13Å; Q394-D397 PolarHBondContact O-N 3.18Å; D397-F399 PolarHBondContact O-N 3.38Å; D397-V400 PolarHBondContact O-N 3.4Å; D397-V400 VanDerWaalsContact O-N 3.17Å; D397-Q401 WeakPolarHBondContact O-CG 3.4Å; D397-Q401 PolarHBondContact O-N 3.22Å; D397-Q401 PolarHBondContact OD2-NE2 2.93Å
398L93.1Very high89.4Confident43 Ų4361.7 Ų61.723%0.22529%0.292CS..Hα-helixtrans-65.9-39176.9-75174.8000112.8Q247 Q394 V400 Q401 E402Q247-L398 HydrophobicContact CB-CD1 4.29Å; Q247-L398 HydrophobicContact CG-CD1 3.64Å; Q394-L398 HydrophobicContact CG-CD1 4.26Å; Q394-L398 PolarHBondContact O-N 3.15Å; L398-V400 VanDerWaalsContact C-N 3.27Å; L398-V400 PolarHBondContact O-N 2.99Å; L398-Q401 PolarHBondContact O-N 3.17Å; L398-E402 WeakPolarHBondContact O-CG 3.36Å; L398-E402 PolarHBondContact O-N 3.2Å
399F92.9Very high88Confident21 Ų2160.1 Ų60.19%0.09230%0.295CS..Hα-helixtrans-57.4-41172.1172.6-98.4000112.1P243 F244 Y355 M395 F396 D397 L403 F412P243-F399 HydrophobicContact CB-CE2 4.42Å; P243-F399 HydrophobicContact CG-CE2 4.32Å; F244-F399 HydrophobicContact CD1-CB 3.64Å; F244-F399 HydrophobicContact CD1-CD1 4.42Å; F244-F399 HydrophobicContact CD1-CD2 4.32Å; F244-F399 AromaticContact CD1-CG 3.88Å; F244-F399 HydrophobicContact CD1-CG 3.88Å; F244-F399 HydrophobicContact CE1-CB 3.54Å; F244-F399 AromaticContact CE1-CD1 3.52Å; F244-F399 HydrophobicContact CE1-CD1 3.52Å; F244-F399 HydrophobicContact CE1-CD2 4.07Å; F244-F399 HydrophobicContact CE1-CE1 4.21Å; F244-F399 AromaticContact CE1-CG 3.42Å; F244-F399 HydrophobicContact CE1-CG 3.42Å; F244-F399 VanDerWaalsContact CE1-CG 3.42Å; F244-F399 HydrophobicContact CZ-CD1 4.04Å; F244-F399 HydrophobicContact CZ-CE1 4.29Å; F244-F399 HydrophobicContact CZ-CG 4.22Å; Y355-F399 HydrophobicContact CD1-CE1 4.24Å; Y355-F399 HydrophobicContact CD1-CZ 4.31Å; Y355-F399 HydrophobicContact CE1-CE1 4.35Å; Y355-F399 AromaticContact CE1-CZ 3.98Å; Y355-F399 HydrophobicContact CE1-CZ 3.98Å; Y355-F399 HydrophobicContact CG-CE1 4.38Å; M395-F399 WeakPolarHBondContact O-CB 3.44Å; M395-F399 PolarHBondContact O-N 3.21Å; M395-F399 VanDerWaalsContact O-N 3.12Å; F396-F399 PolarHBondContact O-N 2.82Å; D397-F399 PolarHBondContact O-N 3.38Å; F399-L403 HydrophobicContact CD1-CD1 3.83Å; F399-L403 HydrophobicContact CE1-CD1 3.3Å; F399-L403 HydrophobicContact CE1-CG 4.31Å; F399-L403 HydrophobicContact CE2-CD1 4.34Å; F399-L403 HydrophobicContact CZ-CD1 3.59Å; F399-L403 HydrophobicContact CZ-CG 4.29Å; F399-L403 VanDerWaalsContact O-CG 3.3Å; F399-L403 WeakPolarHBondContact O-CG 3.27Å; F399-L403 PolarHBondContact O-N 3.29Å; F399-F412 HydrophobicContact CE2-CD1 4.28Å; F399-F412 HydrophobicContact CE2-CE1 4.39Å; F399-F412 HydrophobicContact CZ-CD1 4.06Å; F399-F412 AromaticContact CZ-CE1 3.82Å; F399-F412 HydrophobicContact CZ-CE1 3.82Å
400V91.1Very high87.2Confident5 Ų557.9 Ų57.93%0.0330%0.295CS..Hα-helixtrans-68.4-43.81761680000111.5F369 F396 D397 L398 E402 L403 E404F369-V400 HydrophobicContact CB-CG1 3.38Å; F369-V400 HydrophobicContact CD1-CG1 4.1Å; F369-V400 HydrophobicContact CD1-CG2 3.98Å; F369-V400 HydrophobicContact CD2-CG2 4.47Å; F369-V400 HydrophobicContact CE1-CG2 4.23Å; F369-V400 HydrophobicContact CG-CG1 3.78Å; F369-V400 HydrophobicContact CG-CG2 4.1Å; F396-V400 HydrophobicContact CD1-CG2 3.96Å; F396-V400 HydrophobicContact CE1-CG2 3.45Å; F396-V400 VanDerWaalsContact CE1-CG2 3.45Å; F396-V400 HydrophobicContact CZ-CG2 3.85Å; F396-V400 WeakPolarHBondContact O-CG2 3.3Å; F396-V400 PolarHBondContact O-N 2.98Å; D397-V400 PolarHBondContact O-N 3.4Å; D397-V400 VanDerWaalsContact O-N 3.17Å; L398-V400 VanDerWaalsContact C-N 3.27Å; L398-V400 PolarHBondContact O-N 2.99Å; V400-E402 VanDerWaalsContact C-N 3.28Å; V400-E402 PolarHBondContact O-N 3.24Å; V400-L403 CarbonylContact O-C 3.56Å; V400-L403 WeakPolarHBondContact O-CB 3.48Å; V400-L403 PolarHBondContact O-N 2.89Å; V400-E404 HydrophobicContact CG1-CG 4.15Å; V400-E404 WeakPolarHBondContact O-CG 3.43Å; V400-E404 PolarHBondContact O-N 3.49Å
401Q89.3Confident86.4Confident73 Ų7359.7 Ų59.734%0.34130%0.304SS..Hα-helixtrans-58.7-40.3178.5-69.8177.526.300112D397 L398 E404 Q405D397-Q401 WeakPolarHBondContact O-CG 3.4Å; D397-Q401 PolarHBondContact O-N 3.22Å; D397-Q401 PolarHBondContact OD2-NE2 2.93Å; L398-Q401 PolarHBondContact O-N 3.17Å; Q401-E404 PolarHBondContact O-N 3.45Å; Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 2.92Å
402E86.4Confident85.8Confident129 Ų12959.9 Ų59.960%0.60331%0.305SS*.Hα-helixtrans-62-42.9174.1-72.6178.1-17600112L398 V400 E404 Q405 Q406L398-E402 WeakPolarHBondContact O-CG 3.36Å; L398-E402 PolarHBondContact O-N 3.2Å; V400-E402 VanDerWaalsContact C-N 3.28Å; V400-E402 PolarHBondContact O-N 3.24Å; E402-E404 VanDerWaalsContact C-N 3.34Å; E402-E404 PolarHBondContact O-N 3.32Å; E402-Q405 PolarHBondContact O-N 3.17Å; E402-Q406 PolarHBondContact O-N 2.98Å
403L83.1Confident85.3Confident14 Ų1455.7 Ų55.77%0.07329%0.286CS..Hα-helixtrans-66.9-31.2176.8-71.3173.7000113.7Y355 Y361 F399 V400 Q405 Q406 P408Y355-L403 HydrophobicContact CD2-CD1 3.42Å; Y355-L403 VanDerWaalsContact CD2-CD1 3.42Å; Y355-L403 HydrophobicContact CE2-CD1 3.32Å; Y355-L403 HydrophobicContact CE2-CD2 3.82Å; Y355-L403 HydrophobicContact CE2-CG 4.21Å; Y355-L403 HydrophobicContact CG-CD1 4.25Å; Y361-L403 PolarHBondContact OH-O 3.36Å; F399-L403 HydrophobicContact CD1-CD1 3.83Å; F399-L403 HydrophobicContact CE1-CD1 3.3Å; F399-L403 HydrophobicContact CE1-CG 4.31Å; F399-L403 HydrophobicContact CE2-CD1 4.34Å; F399-L403 HydrophobicContact CZ-CD1 3.59Å; F399-L403 HydrophobicContact CZ-CG 4.29Å; F399-L403 VanDerWaalsContact O-CG 3.3Å; F399-L403 WeakPolarHBondContact O-CG 3.27Å; F399-L403 PolarHBondContact O-N 3.29Å; V400-L403 CarbonylContact O-C 3.56Å; V400-L403 WeakPolarHBondContact O-CB 3.48Å; V400-L403 PolarHBondContact O-N 2.89Å; L403-Q405 PolarHBondContact O-N 2.87Å; L403-Q406 CarbonylContact C-O 3.56Å; L403-P408 HydrophobicContact CD2-CB 3.8Å
404E82.3Confident84.8Confident47 Ų4762 Ų6222%0.2231%0.309CS..Hα-helixtrans-71.6-25177.5-70.9-179.715900111.8G367 V368 F369 V400 Q401 E402G367-E404 PolarHBondContact N-O 2.75Å; G367-E404 VanDerWaalsContact N-O 3.11Å; G367-E404 WeakPolarHBondContact O-CB 3.14Å; G367-E404 WeakPolarHBondContact O-CG 3.11Å; V368-E404 WeakPolarHBondContact CA-OE1 3.42Å; F369-E404 WeakPolarHBondContact CB-OE1 3.43Å; F369-E404 PolarHBondContact N-OE1 2.83Å; V400-E404 HydrophobicContact CG1-CG 4.15Å; V400-E404 WeakPolarHBondContact O-CG 3.43Å; V400-E404 PolarHBondContact O-N 3.49Å; Q401-E404 PolarHBondContact O-N 3.45Å; E402-E404 VanDerWaalsContact C-N 3.34Å; E402-E404 PolarHBondContact O-N 3.32Å
405Q79.2Confident84.4Confident149 Ų14960.4 Ų60.470%0.69630%0.3SS*.Hα-helixtrans-90.9-34178.5-66.2176.619.700113.6Q401 E402 L403Q401-Q405 WeakPolarHBondContact O-CG 3.29Å; Q401-Q405 PolarHBondContact O-N 2.92Å; E402-Q405 PolarHBondContact O-N 3.17Å; L403-Q405 PolarHBondContact O-N 2.87Å
406Q73.8Confident84.1Confident136 Ų13660.5 Ų60.564%0.63630%0.301SS*.SBendtrans-134.9149.5-173.6-60.9-176.817.800112E402 L403E402-Q406 PolarHBondContact O-N 2.98Å; L403-Q406 CarbonylContact C-O 3.56Å
407Q68.2Low83.7Confident167 Ų16762.7 Ų62.778%0.7831%0.314SS*.  trans-63.7142.9175.3-74.2-167.57.300111.6S409Q407-S409 PolarHBondContact O-N 2.91Å
408P69.2Low83.4Confident33 Ų3364 Ų6421%0.21432%0.319CS..  trans-61123.5-179.723.4-32.4000110.7Y355 L403 H413Y355-P408 HydrophobicContact CE2-CB 4.38Å; Y355-P408 WeakPolarHBondContact OH-CB 3.43Å; L403-P408 HydrophobicContact CD2-CB 3.8Å; P408-H413 HydrophobicContact CB-CB 4.5Å
409S69.1Low83.2Confident84 Ų8465.4 Ų65.459%0.58732%0.322SS*.  trans-138.7172.4177.771.10000110.8Q407Q407-S409 PolarHBondContact O-N 2.91Å
410G79.2Confident82.9Confident34 Ų3468.2 Ų68.235%0.35134%0.335SS..SBendtrans92.7-176176.900000115.7F412 H413 R414G410-F412 VanDerWaalsContact C-N 3.31Å; G410-F412 PolarHBondContact O-N 3.19Å; G410-H413 PolarHBondContact O-N 3.21Å; G410-R414 PolarHBondContact O-N 3.4Å; G410-R414 VanDerWaalsContact O-N 3.16Å
411I81.2Confident82.7Confident37 Ų3774.2 Ų74.219%0.1936%0.361CS..Hα-helixtrans-63.1-37.9-168.1-61169.2000111.4W189 Y242 L345 R414 K415W189-I411 HydrophobicContact CE3-CD1 3.9Å; W189-I411 HydrophobicContact CZ3-CD1 4.3Å; W189-I411 HydrophobicContact CZ3-CG2 4.36Å; Y242-I411 WeakPolarHBondContact OH-CB 3.49Å; L345-I411 HydrophobicContact CD2-CG2 4.24Å; I411-R414 PolarHBondContact O-N 3.46Å; I411-K415 HydrophobicContact CG2-CG 4.27Å; I411-K415 WeakPolarHBondContact O-CG 3.22Å; I411-K415 PolarHBondContact O-N 3.17Å
412F85.9Confident82.5Confident7 Ų777 Ų773%0.03137%0.372CS..Hα-helixtrans-62.9-46.9179.7-178.2-128.6000112.2P243 L345 F348 V349 V352 Y355 F399 G410 R414 K415 I416P243-F412 HydrophobicContact CB-CB 3.82Å; P243-F412 HydrophobicContact CB-CD1 3.91Å; P243-F412 HydrophobicContact CB-CD2 4.34Å; P243-F412 HydrophobicContact CB-CG 3.78Å; P243-F412 HydrophobicContact CG-CB 4.23Å; P243-F412 HydrophobicContact CG-CD1 3.54Å; P243-F412 HydrophobicContact CG-CD2 3.86Å; P243-F412 HydrophobicContact CG-CE1 3.68Å; P243-F412 HydrophobicContact CG-CE2 3.99Å; P243-F412 HydrophobicContact CG-CG 3.62Å; P243-F412 HydrophobicContact CG-CZ 3.9Å; L345-F412 HydrophobicContact CD1-CB 4.49Å; L345-F412 HydrophobicContact CD1-CD2 3.51Å; L345-F412 HydrophobicContact CD1-CE2 4.14Å; L345-F412 HydrophobicContact CD1-CG 4.4Å; F348-F412 HydrophobicContact CB-CE2 3.87Å; F348-F412 HydrophobicContact CB-CZ 4.16Å; V349-F412 HydrophobicContact CG2-CD2 4.07Å; V349-F412 HydrophobicContact CG2-CE2 3.73Å; V352-F412 HydrophobicContact CG2-CZ 4.11Å; Y355-F412 HydrophobicContact CD1-CE1 4.17Å; Y355-F412 HydrophobicContact CE1-CD1 4.15Å; Y355-F412 AromaticContact CE1-CE1 3.6Å; Y355-F412 HydrophobicContact CE1-CE1 3.6Å; Y355-F412 HydrophobicContact CE1-CZ 4.49Å; F399-F412 HydrophobicContact CE2-CD1 4.28Å; F399-F412 HydrophobicContact CE2-CE1 4.39Å; F399-F412 HydrophobicContact CZ-CD1 4.06Å; F399-F412 AromaticContact CZ-CE1 3.82Å; F399-F412 HydrophobicContact CZ-CE1 3.82Å; G410-F412 VanDerWaalsContact C-N 3.31Å; G410-F412 PolarHBondContact O-N 3.19Å; F412-R414 VanDerWaalsContact C-N 3.32Å; F412-R414 PolarHBondContact O-N 3.24Å; F412-K415 PolarHBondContact O-N 3.07Å; F412-I416 HydrophobicContact CD1-CD1 3.86Å; F412-I416 HydrophobicContact CD2-CD1 4.29Å; F412-I416 HydrophobicContact CD2-CG1 4.43Å; F412-I416 HydrophobicContact CE1-CD1 3.6Å; F412-I416 HydrophobicContact CE2-CD1 4.07Å; F412-I416 HydrophobicContact CE2-CG1 4.22Å; F412-I416 HydrophobicContact CG-CD1 4.22Å; F412-I416 HydrophobicContact CZ-CD1 3.72Å; F412-I416 HydrophobicContact CZ-CG1 4.31Å; F412-I416 WeakPolarHBondContact O-CG1 3.41Å; F412-I416 PolarHBondContact O-N 3.41Å
413H85.9Confident82.4Confident57 Ų5776.7 Ų76.726%0.26437%0.369SS..Hα-helixtrans-63.1-38.7177.5-171.470000112.2P408 G410 I416 T417P408-H413 HydrophobicContact CB-CB 4.5Å; G410-H413 PolarHBondContact O-N 3.21Å; H413-I416 PolarHBondContact O-N 2.7Å; H413-T417 PolarHBondContact O-N 3.36Å; H413-T417 PolarHBondContact O-OG1 2.97Å
414R86.2Confident82.1Confident140 Ų14080.6 Ų80.653%0.52839%0.39SS..Hα-helixtrans-59.3-49.1172.9-172.6179.369.4-177.1-1.2111.4G410 I411 F412 I416 T417 E418G410-R414 PolarHBondContact O-N 3.4Å; G410-R414 VanDerWaalsContact O-N 3.16Å; I411-R414 PolarHBondContact O-N 3.46Å; F412-R414 VanDerWaalsContact C-N 3.32Å; F412-R414 PolarHBondContact O-N 3.24Å; R414-I416 VanDerWaalsContact C-N 3.35Å; R414-I416 PolarHBondContact O-N 2.74Å; R414-T417 WeakPolarHBondContact O-CB 3.37Å; R414-T417 PolarHBondContact O-N 3.2Å; R414-T417 VanDerWaalsContact O-N 3.15Å; R414-E418 IonicContact NE-OE1 2.73Å; R414-E418 WeakPolarHBondContact O-CG 3.15Å; R414-E418 PolarHBondContact O-N 2.79Å
415K88.6Confident82Confident47 Ų4784 Ų8420%0.20441%0.405CS..Hα-helixtrans-63.8-36.2178.8-71.9-72.4-167.71780112.7E342 L345 V349 I411 F412 E418 Y419E342-K415 IonicContact OE1-NZ 3.95Å; E342-K415 PolarHBondContact OE1-NZ 2.7Å; L345-K415 HydrophobicContact CD2-CB 4.46Å; L345-K415 HydrophobicContact CD2-CG 3.84Å; V349-K415 HydrophobicContact CG2-CB 4.15Å; I411-K415 HydrophobicContact CG2-CG 4.27Å; I411-K415 WeakPolarHBondContact O-CG 3.22Å; I411-K415 PolarHBondContact O-N 3.17Å; F412-K415 PolarHBondContact O-N 3.07Å; K415-E418 PolarHBondContact O-N 3.14Å; K415-Y419 WeakPolarHBondContact O-CB 3.46Å; K415-Y419 PolarHBondContact O-N 3.27Å
416I90.5Very high81.7Confident4 Ų484.3 Ų84.32%0.02141%0.405CS..Hα-helixtrans-60.3-47.5171.6-70.2166.5000110.7V349 G353 Y355 F412 H413 R414 E418 Y419 Q420V349-I416 HydrophobicContact CG1-CG1 4.28Å; V349-I416 HydrophobicContact CG2-CG1 4.1Å; G353-I416 VanDerWaalsContact O-CG2 3.31Å; G353-I416 WeakPolarHBondContact O-CG2 3.41Å; Y355-I416 HydrophobicContact CD1-CD1 4.22Å; Y355-I416 HydrophobicContact CE1-CD1 3.46Å; Y355-I416 VanDerWaalsContact CE1-CD1 3.46Å; F412-I416 HydrophobicContact CD1-CD1 3.86Å; F412-I416 HydrophobicContact CD2-CD1 4.29Å; F412-I416 HydrophobicContact CD2-CG1 4.43Å; F412-I416 HydrophobicContact CE1-CD1 3.6Å; F412-I416 HydrophobicContact CE2-CD1 4.07Å; F412-I416 HydrophobicContact CE2-CG1 4.22Å; F412-I416 HydrophobicContact CG-CD1 4.22Å; F412-I416 HydrophobicContact CZ-CD1 3.72Å; F412-I416 HydrophobicContact CZ-CG1 4.31Å; F412-I416 WeakPolarHBondContact O-CG1 3.41Å; F412-I416 PolarHBondContact O-N 3.41Å; H413-I416 PolarHBondContact O-N 2.7Å; R414-I416 VanDerWaalsContact C-N 3.35Å; R414-I416 PolarHBondContact O-N 2.74Å; I416-E418 PolarHBondContact O-N 3.31Å; I416-Y419 PolarHBondContact O-N 2.88Å; I416-Q420 HydrophobicContact CG2-CG 4.36Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.99Å
417T88Confident81.5Confident46 Ų4682.2 Ų82.228%0.28240%0.401SS..Hα-helixtrans-63-43.9-179.3-57.60000111.4H413 R414 Y419 Q420 K421H413-T417 PolarHBondContact O-N 3.36Å; H413-T417 PolarHBondContact O-OG1 2.97Å; R414-T417 WeakPolarHBondContact O-CB 3.37Å; R414-T417 PolarHBondContact O-N 3.2Å; R414-T417 VanDerWaalsContact O-N 3.15Å; T417-Y419 VanDerWaalsContact C-N 3.35Å; T417-Y419 PolarHBondContact O-N 3.19Å; T417-Q420 PolarHBondContact O-N 2.92Å; T417-K421 HydrophobicContact CG2-CD 4.43Å; T417-K421 WeakPolarHBondContact O-CG 3.43Å; T417-K421 PolarHBondContact O-N 3.08Å
418E88.9Confident81.2Confident71 Ų7182.9 Ų82.933%0.33240%0.401SS..Hα-helixtrans-59.1-44.6174.1-72.4171.1-163.300111.8R414 K415 I416 K421 K422R414-E418 IonicContact NE-OE1 2.73Å; R414-E418 WeakPolarHBondContact O-CG 3.15Å; R414-E418 PolarHBondContact O-N 2.79Å; K415-E418 PolarHBondContact O-N 3.14Å; I416-E418 PolarHBondContact O-N 3.31Å; E418-K421 PolarHBondContact O-N 2.91Å; E418-K422 WeakPolarHBondContact O-CG 3.47Å; E418-K422 PolarHBondContact O-N 3.2Å
419Y89Confident80.6Confident73 Ų7389.6 Ų89.629%0.28643%0.427SS..Hα-helixtrans-63.2-45.6177.8176.7-99.7000112.3H346 V349 R350 K415 I416 T417 K421 K422 K423H346-Y419 AromaticContact NE2-CE2 3.99Å; V349-Y419 HydrophobicContact CG1-CD1 3.87Å; V349-Y419 HydrophobicContact CG1-CD2 4.36Å; V349-Y419 HydrophobicContact CG1-CG 3.7Å; R350-Y419 VanDerWaalsContact CD-CZ 3.49Å; R350-Y419 WeakPolarHBondContact CD-OH 3.47Å; K415-Y419 WeakPolarHBondContact O-CB 3.46Å; K415-Y419 PolarHBondContact O-N 3.27Å; I416-Y419 PolarHBondContact O-N 2.88Å; T417-Y419 VanDerWaalsContact C-N 3.35Å; T417-Y419 PolarHBondContact O-N 3.19Å; Y419-K421 PolarHBondContact O-N 3.32Å; Y419-K422 PolarHBondContact O-N 3.38Å; Y419-K423 WeakPolarHBondContact O-CB 3.49Å; Y419-K423 PolarHBondContact O-N 2.92Å
420Q86.1Confident79.4Confident79 Ų7996.3 Ų96.337%0.36945%0.449SS..Hα-helixtrans-62.7-40.9178-71.9176.40.200112I416 T417 K423 N424I416-Q420 HydrophobicContact CG2-CG 4.36Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.99Å; T417-Q420 PolarHBondContact O-N 2.92Å; Q420-K423 PolarHBondContact O-N 3.28Å; Q420-N424 WeakPolarHBondContact O-CB 3.44Å; Q420-N424 PolarHBondContact O-N 2.86Å; Q420-N424 PolarHBondContact O-ND2 3.07Å
421K86.7Confident79.4Confident131 Ų13199.5 Ų99.557%0.5745%0.454SS*.Hα-helixtrans-60-51.7174-74.8176.4179.2-179.70111.5T417 E418 Y419 K423 N424 E425T417-K421 HydrophobicContact CG2-CD 4.43Å; T417-K421 WeakPolarHBondContact O-CG 3.43Å; T417-K421 PolarHBondContact O-N 3.08Å; E418-K421 PolarHBondContact O-N 2.91Å; Y419-K421 PolarHBondContact O-N 3.32Å; K421-K423 VanDerWaalsContact C-N 3.28Å; K421-K423 PolarHBondContact O-N 2.9Å; K421-N424 PolarHBondContact O-N 2.85Å; K421-N424 VanDerWaalsContact O-N 3.16Å; K421-E425 WeakPolarHBondContact O-CG 3.41Å; K421-E425 PolarHBondContact O-N 3.25Å
422K85.8Confident79.3Confident133 Ų133102.7 Ų102.758%0.57847%0.468SS*.Hα-helixtrans-58.9-38.9177.4-73.4179.3-179.6179.90112.3E418 Y419 K426E418-K422 WeakPolarHBondContact O-CG 3.47Å; E418-K422 PolarHBondContact O-N 3.2Å; Y419-K422 PolarHBondContact O-N 3.38Å; K422-K426 WeakPolarHBondContact O-CG 3.21Å; K422-K426 PolarHBondContact O-N 2.77Å; K422-K426 VanDerWaalsContact O-N 3.16Å
423K82.9Confident78.9Confident122 Ų122108.1 Ų108.153%0.5349%0.492SS..Hα-helixtrans-62.8-49.3175.6-173.4-179.7176.6-177.40110.8Y419 Q420 K421 E425 K426 T427Y419-K423 WeakPolarHBondContact O-CB 3.49Å; Y419-K423 PolarHBondContact O-N 2.92Å; Q420-K423 PolarHBondContact O-N 3.28Å; K421-K423 VanDerWaalsContact C-N 3.28Å; K421-K423 PolarHBondContact O-N 2.9Å; K423-E425 VanDerWaalsContact C-N 3.33Å; K423-E425 PolarHBondContact O-N 2.91Å; K423-K426 PolarHBondContact O-N 2.92Å; K423-T427 PolarHBondContact O-N 2.96Å; K423-T427 PolarHBondContact O-OG1 3.49Å
424N78.4Confident78.5Confident96 Ų96111.1 Ų111.151%0.51351%0.505SS..Hα-helixtrans-64.2-35.5-179.6-68.7-13.4000112.9Q420 K421 T427 K428Q420-N424 WeakPolarHBondContact O-CB 3.44Å; Q420-N424 PolarHBondContact O-N 2.86Å; Q420-N424 PolarHBondContact O-ND2 3.07Å; K421-N424 PolarHBondContact O-N 2.85Å; K421-N424 VanDerWaalsContact O-N 3.16Å; N424-T427 PolarHBondContact O-N 3.33Å; N424-K428 WeakPolarHBondContact O-CG 3.13Å; N424-K428 PolarHBondContact O-N 2.71Å; N424-K428 VanDerWaalsContact O-N 3.08Å
425E79.5Confident78Confident117 Ų117109.3 Ų109.355%0.54750%0.504SS..Hα-helixtrans-65.8-38.4174.2-73.7171.6-17700112.5K421 K423 K428 K429K421-E425 WeakPolarHBondContact O-CG 3.41Å; K421-E425 PolarHBondContact O-N 3.25Å; K423-E425 VanDerWaalsContact C-N 3.33Å; K423-E425 PolarHBondContact O-N 2.91Å; E425-K428 PolarHBondContact O-N 2.9Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.64Å
426K73.3Confident77.3Confident157 Ų157113.4 Ų113.468%0.68352%0.524SS*.Hα-helixtrans-65.9-40.8174.1-73.5-178.6177.8-172.90111.7K422 K423 K428 K429K422-K426 WeakPolarHBondContact O-CG 3.21Å; K422-K426 PolarHBondContact O-N 2.77Å; K422-K426 VanDerWaalsContact O-N 3.16Å; K423-K426 PolarHBondContact O-N 2.92Å; K426-K428 VanDerWaalsContact C-N 3.26Å; K426-K428 PolarHBondContact O-N 2.83Å; K426-K429 PolarHBondContact O-N 2.89Å
427T68.3Low76.4Confident92 Ų92121.2 Ų121.256%0.56456%0.56SS**Hα-helixtrans-69.8-21.3177-340000113.3K423 N424 H430K423-T427 PolarHBondContact O-N 2.96Å; K423-T427 PolarHBondContact O-OG1 3.49Å; N424-T427 PolarHBondContact O-N 3.33Å; T427-H430 VanDerWaalsContact O-OXT 3.07Å
428K63.2Low75.5Confident180 Ų180127 Ų12778%0.78358%0.581SS**THydrogen-bonded Turntrans-85.7-13174.9-75.5179.5179.9-173.50113.9N424 E425 K426N424-K428 WeakPolarHBondContact O-CG 3.13Å; N424-K428 PolarHBondContact O-N 2.71Å; N424-K428 VanDerWaalsContact O-N 3.08Å; E425-K428 PolarHBondContact O-N 2.9Å; K426-K428 VanDerWaalsContact C-N 3.26Å; K426-K428 PolarHBondContact O-N 2.83Å
429K55.6Low74.4Confident175 Ų175131.7 Ų131.776%0.76160%0.602SS**  trans-97.1-0.3178.2-73.9-177.1177.9-175.80112.9E425 K426E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.64Å; K426-K429 PolarHBondContact O-N 2.89Å
430H43.6Very low73Confident225 Ų225137 Ų137100%1.04263%0.631SS**  trans-119.50168.6-71-22.7000107.9T427T427-H430 VanDerWaalsContact O-OXT 3.07Å

Retrieved 430 of 430 residues in 174.6 ms (Link to these results)

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