A0A087XV02_POEFO Loading...

Cyclin-dependent kinase 4

AlphaFold DB , UniProt , Accession A0A087XV02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M38.9Very low63.3Low210 Ų21096.5 Ų96.5100%1.03454%0.544SS*.  0121.90-65.9179.3-162.200106.5A79M1-A79 HydrophobicContact SD-CB 4.14Å
2A35.3Very low65.7Low72 Ų7295.8 Ų95.860%0.59554%0.542SS*.  trans-72.7134.6-174.800000111C4A2-C4 HydrophobicContact CB-CB 4.22Å; A2-C4 PolarHBondContact O-N 2.82Å
3N40.1Very low67.7Low156 Ų15692 Ų9283%0.83453%0.531SS*.  trans-67.977.9167.2-94.4-9.9000108.8
4C48.5Very low69.3Low43 Ų4394.1 Ų94.129%0.29153%0.533SS..  trans-110.625.1-163-140.60000115.6A2 Q8A2-C4 HydrophobicContact CB-CB 4.22Å; A2-C4 PolarHBondContact O-N 2.82Å; C4-Q8 PolarHBondContact SG-OE1 2.56Å
5T55.6Low70.3Confident47 Ų4793.3 Ų93.329%0.28853%0.526SS..SBendtrans-111.6-14.4-161.650.80000118.6C78 T80T5-C78 HydrophobicContact CG2-CB 3.2Å; T5-T80 HydrophobicContact CG2-CG2 3.17Å; T5-T80 WeakPolarHBondContact OG1-CG2 3.49Å
6S55.9Low70.6Confident110 Ų11089.3 Ų89.377%0.76951%0.512SS*.SBendtrans-104.5-14.4177.690.80000114.9
7M64.1Low70.4Confident168 Ų16887.6 Ų87.683%0.82852%0.519SS*.SBendtrans-103.2-29.6-178.8-70.8-160.9175.400114.1T29M7-T29 PolarHBondContact O-OG1 3.13Å
8Q85.6Confident70Confident42 Ų4285.7 Ų85.720%0.19652%0.52CS..SBendtrans-88.8-37.5-174.8-169.8172.95.100113.4C4 D28 T29C4-Q8 PolarHBondContact SG-OE1 2.56Å; Q8-D28 WeakPolarHBondContact O-CA 3.34Å; Q8-T29 WeakPolarHBondContact CA-OG1 3.2Å; Q8-T29 PolarHBondContact O-N 3.07Å; Q8-T29 PolarHBondContact O-OG1 3.32Å; Q8-T29 VanDerWaalsContact O-OG1 3.11Å
9Y90.9Very high69.1Low13 Ų1382.3 Ų82.35%0.05150%0.501CS..EExtended strand (participates in β ladder)trans-119.4112.5-178.4-54.5-70.1000110.3P11 R27 D28 V35 L37 D76 V92Y9-P11 WeakPolarHBondContact O-CD 3.12Å; Y9-R27 WeakPolarHBondContact CA-O 3.47Å; Y9-D28 HydrophobicContact CD1-CB 4Å; Y9-D28 HydrophobicContact CE1-CB 3.99Å; Y9-V35 HydrophobicContact CD1-CG2 3.68Å; Y9-V35 HydrophobicContact CE1-CG1 4.44Å; Y9-V35 HydrophobicContact CE1-CG2 4.17Å; Y9-V35 HydrophobicContact CG-CG2 4.45Å; Y9-L37 HydrophobicContact CD2-CD2 4.37Å; Y9-L37 HydrophobicContact CG-CD2 4.06Å; Y9-D76 PolarHBondContact OH-OD2 3.01Å; Y9-V92 HydrophobicContact CD1-CG1 4.31Å; Y9-V92 HydrophobicContact CD2-CG2 4.17Å; Y9-V92 HydrophobicContact CE1-CG1 3.78Å; Y9-V92 HydrophobicContact CE2-CG1 4.31Å; Y9-V92 HydrophobicContact CE2-CG2 3.75Å
10E91.1Very high68.7Low115 Ų11579.4 Ų79.454%0.53748%0.481SS..EExtended strand (participates in β ladder)trans-93.3110.6-179.6-173.6-177.3-177.900110.2V12 A26 R27 T29E10-V12 PolarHBondContact O-N 3.26Å; E10-A26 CarbonylContact O-C 3.5Å; E10-A26 WeakPolarHBondContact O-CA 3.35Å; E10-A26 VanDerWaalsContact O-CB 3.3Å; E10-A26 WeakPolarHBondContact O-CB 3.33Å; E10-R27 PolarHBondContact N-O 2.92Å; E10-R27 PolarHBondContact O-N 3.11Å; E10-T29 HydrophobicContact CB-CG2 4.37Å
11P90.5Very high68.9Low86 Ų8676.7 Ų76.756%0.55847%0.47SS*.EExtended strand (participates in β ladder)trans-63.1134.9179.2-20.133.2000111.9Y9Y9-P11 WeakPolarHBondContact O-CD 3.12Å
12V92.2Very high70.9Confident87 Ų8768.8 Ų68.853%0.52743%0.433SS..EExtended strand (participates in β ladder)trans-111.5-46.1-177.7179.80000111.3E10 K25 R27 F34E10-V12 PolarHBondContact O-N 3.26Å; V12-K25 PolarHBondContact N-O 2.91Å; V12-R27 HydrophobicContact CG2-CB 4.34Å; V12-F34 HydrophobicContact CG2-CE1 4.19Å
13A91.4Very high73.3Confident47 Ų4766.8 Ų66.839%0.38841%0.413SS..EExtended strand (participates in β ladder)trans-155.7150.6-178.100000111.2I15 Y24 K25A13-I15 HydrophobicContact CB-CG2 4.46Å; A13-Y24 CarbonylContact O-C 3.44Å; A13-Y24 WeakPolarHBondContact O-CA 3.29Å; A13-K25 PolarHBondContact N-O 2.97Å; A13-K25 PolarHBondContact O-N 3.01Å
14E90Very high75.7Confident122 Ų12262.8 Ų62.857%0.5739%0.387SS*.EExtended strand (participates in β ladder)trans-76.3124163-172.9168.9149.500108.8T22 Y24E14-T22 HydrophobicContact CG-CG2 3.51Å; E14-T22 WeakPolarHBondContact OE1-CG2 3.45Å; E14-Y24 HydrophobicContact CB-CD1 4.03Å; E14-Y24 HydrophobicContact CB-CE1 3.94Å; E14-Y24 HydrophobicContact CG-CD1 4.45Å; E14-Y24 HydrophobicContact CG-CE1 4.18Å
15I84.8Confident77.9Confident82 Ų8262.7 Ų62.742%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-115.3-5.4-175.559.1169.4000113.3A13 V23 K25 A36A13-I15 HydrophobicContact CB-CG2 4.46Å; I15-V23 HydrophobicContact CD1-CG1 3.95Å; I15-V23 HydrophobicContact CG1-CB 4.25Å; I15-V23 HydrophobicContact CG1-CG1 3.82Å; I15-V23 WeakPolarHBondContact CG1-O 3.44Å; I15-V23 PolarHBondContact N-O 2.83Å; I15-K25 HydrophobicContact CD1-CB 4.13Å; I15-K25 HydrophobicContact CG1-CB 4.42Å; I15-K25 HydrophobicContact CG2-CB 3.6Å; I15-A36 HydrophobicContact CD1-CB 4.45Å
16G74.6Confident79.7Confident29 Ų2960.4 Ų60.430%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-173.9149175.600000112.1V23G16-V23 PolarHBondContact N-O 3.44Å; G16-V23 PolarHBondContact O-N 3.43Å
17G67.3Low81.5Confident61 Ų6161.1 Ų61.163%0.62935%0.354SS*.EExtended strand (participates in β ladder)trans-142.6130.3171.800000108.5
18G62.3Low82.9Confident52 Ų5253.7 Ų53.754%0.53632%0.317SS..EExtended strand (participates in β ladder)trans-150.9-167.4-179.800000112.3Y20 G21G18-Y20 PolarHBondContact O-N 3.35Å; G18-G21 PolarHBondContact N-O 3.19Å; G18-G21 PolarHBondContact O-N 3Å
19A53.8Low83.2Confident21 Ų2155.6 Ų55.617%0.17433%0.332CS..THydrogen-bonded Turntrans-53.4-18.1176.700000114V174A19-V174 HydrophobicContact CB-CB 4.18Å; A19-V174 HydrophobicContact CB-CG1 3.68Å; A19-V174 HydrophobicContact CB-CG2 4.38Å
20Y61.9Low83.2Confident25 Ų2562.7 Ų62.710%0.09837%0.365CS..THydrogen-bonded Turntrans-109.78.2-167.1-52.5-49.6000113.9G18 D140 Y165 M169G18-Y20 PolarHBondContact O-N 3.35Å; Y20-D140 WeakPolarHBondContact CE2-OD2 3.03Å; Y20-D140 PolarHBondContact OH-OD2 2.84Å; Y20-D140 VanDerWaalsContact OH-OD2 3.14Å; Y20-Y165 AromaticContact CD1-CD1 3.94Å; Y20-Y165 HydrophobicContact CD1-CD1 3.94Å; Y20-Y165 AromaticContact CD1-CD2 3.11Å; Y20-Y165 HydrophobicContact CD1-CD2 3.11Å; Y20-Y165 HydrophobicContact CD1-CE1 4.42Å; Y20-Y165 AromaticContact CD1-CE2 3.62Å; Y20-Y165 HydrophobicContact CD1-CE2 3.62Å; Y20-Y165 AromaticContact CD1-CG 3.31Å; Y20-Y165 HydrophobicContact CD1-CG 3.31Å; Y20-Y165 AromaticContact CE1-CD2 3.66Å; Y20-Y165 HydrophobicContact CE1-CD2 3.66Å; Y20-Y165 HydrophobicContact CE1-CE2 4.42Å; Y20-Y165 AromaticContact CE1-CG 4Å; Y20-Y165 HydrophobicContact CE1-CG 4Å; Y20-Y165 HydrophobicContact CG-CD1 4.46Å; Y20-Y165 AromaticContact CG-CD2 3.67Å; Y20-Y165 HydrophobicContact CG-CD2 3.67Å; Y20-Y165 AromaticContact CG-CE2 3.65Å; Y20-Y165 HydrophobicContact CG-CE2 3.65Å; Y20-Y165 HydrophobicContact CG-CG 4.11Å; Y20-Y165 WeakPolarHBondContact O-CE1 3.21Å; Y20-M169 HydrophobicContact CE1-SD 3.78Å
21G71.5Confident83.3Confident23 Ų2360 Ų6024%0.23736%0.36CS..EExtended strand (participates in β ladder)trans103.5-177.7-178.300000113.9G18G18-G21 PolarHBondContact N-O 3.19Å; G18-G21 PolarHBondContact O-N 3Å
22T80.6Confident83.3Confident43 Ų4357.4 Ų57.426%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-91.4135.6-177.8-49.30000111E14 Y24 N39E14-T22 HydrophobicContact CG-CG2 3.51Å; E14-T22 WeakPolarHBondContact OE1-CG2 3.45Å; T22-Y24 HydrophobicContact CG2-CD2 4.17Å; T22-Y24 HydrophobicContact CG2-CE1 4Å; T22-Y24 HydrophobicContact CG2-CE2 3.52Å; T22-Y24 VanDerWaalsContact CG2-CZ 3.41Å; T22-Y24 WeakPolarHBondContact CG2-OH 3.16Å; T22-N39 PolarHBondContact O-N 2.88Å
23V87.6Confident83.4Confident30 Ų3060.3 Ų60.318%0.18235%0.353CS..EExtended strand (participates in β ladder)trans-107.7123.4176.4-172.30000109.1I15 G16 A36 L37 K38I15-V23 HydrophobicContact CD1-CG1 3.95Å; I15-V23 HydrophobicContact CG1-CB 4.25Å; I15-V23 HydrophobicContact CG1-CG1 3.82Å; I15-V23 WeakPolarHBondContact CG1-O 3.44Å; I15-V23 PolarHBondContact N-O 2.83Å; G16-V23 PolarHBondContact N-O 3.44Å; G16-V23 PolarHBondContact O-N 3.43Å; V23-A36 HydrophobicContact CG1-CB 4.24Å; V23-L37 WeakPolarHBondContact CA-O 3.3Å; V23-K38 HydrophobicContact CG2-CG 4.17Å
24Y90.4Very high83.5Confident73 Ų7362.7 Ų62.729%0.28636%0.355SS..EExtended strand (participates in β ladder)trans-109.6136.2176.3-61.7-85.9000110.5A13 E14 T22 A36 L37 N39A13-Y24 CarbonylContact O-C 3.44Å; A13-Y24 WeakPolarHBondContact O-CA 3.29Å; E14-Y24 HydrophobicContact CB-CD1 4.03Å; E14-Y24 HydrophobicContact CB-CE1 3.94Å; E14-Y24 HydrophobicContact CG-CD1 4.45Å; E14-Y24 HydrophobicContact CG-CE1 4.18Å; T22-Y24 HydrophobicContact CG2-CD2 4.17Å; T22-Y24 HydrophobicContact CG2-CE1 4Å; T22-Y24 HydrophobicContact CG2-CE2 3.52Å; T22-Y24 VanDerWaalsContact CG2-CZ 3.41Å; T22-Y24 WeakPolarHBondContact CG2-OH 3.16Å; Y24-A36 CarbonylContact O-C 3.3Å; Y24-A36 WeakPolarHBondContact O-CA 3.44Å; Y24-L37 PolarHBondContact N-O 3.5Å; Y24-L37 PolarHBondContact O-N 2.91Å; Y24-N39 WeakPolarHBondContact CD2-ND2 3.44Å; Y24-N39 WeakPolarHBondContact CE2-ND2 3.39Å
25K92.8Very high83.7Confident40 Ų4056.9 Ų56.917%0.17433%0.328CS..EExtended strand (participates in β ladder)trans-73.7129.8159.1-177.9171-175.81540107.8V12 A13 I15 F34 H95V12-K25 PolarHBondContact N-O 2.91Å; A13-K25 PolarHBondContact N-O 2.97Å; A13-K25 PolarHBondContact O-N 3.01Å; I15-K25 HydrophobicContact CD1-CB 4.13Å; I15-K25 HydrophobicContact CG1-CB 4.42Å; I15-K25 HydrophobicContact CG2-CB 3.6Å; K25-F34 HydrophobicContact CD-CD1 4.27Å; K25-F34 HydrophobicContact CG-CD1 4.03Å; K25-F34 HydrophobicContact CG-CG 4.47Å; K25-H95 WeakPolarHBondContact CE-NE2 3.17Å; K25-H95 PolarHBondContact NZ-NE2 3.49Å
26A94Very high84.2Confident0 Ų053.5 Ų53.50%031%0.313CS..EExtended strand (participates in β ladder)trans-132159.3175.100000110.8E10 F34 V35 L37E10-A26 CarbonylContact O-C 3.5Å; E10-A26 WeakPolarHBondContact O-CA 3.35Å; E10-A26 VanDerWaalsContact O-CB 3.3Å; E10-A26 WeakPolarHBondContact O-CB 3.33Å; A26-F34 CarbonylContact O-C 3.53Å; A26-F34 WeakPolarHBondContact O-CA 3.46Å; A26-V35 HydrophobicContact CB-CG2 3.97Å; A26-V35 PolarHBondContact N-O 3.36Å; A26-V35 PolarHBondContact O-N 3.44Å; A26-L37 HydrophobicContact CB-CD1 3.43Å; A26-L37 VanDerWaalsContact CB-CD1 3.43Å; A26-L37 HydrophobicContact CB-CD2 4.37Å; A26-L37 HydrophobicContact CB-CG 3.63Å
27R94.5Very high85Confident125 Ų12552.8 Ų52.847%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-99.1125.7170.8-166.8178.2-165.1-166.21.1108.9Y9 E10 V12 T29 G32 F34Y9-R27 WeakPolarHBondContact CA-O 3.47Å; E10-R27 PolarHBondContact N-O 2.92Å; E10-R27 PolarHBondContact O-N 3.11Å; V12-R27 HydrophobicContact CG2-CB 4.34Å; R27-T29 PolarHBondContact O-N 3.12Å; R27-G32 PolarHBondContact NE-O 3.35Å; R27-F34 HydrophobicContact CB-CD1 4.44Å; R27-F34 HydrophobicContact CB-CE1 4.42Å
28D94Very high85.9Confident12 Ų1250.1 Ų50.16%0.06427%0.273CS..EExtended strand (participates in β ladder)trans-71.3119.4166.4172.113.3000108.6Q8 Y9 E30 S31 G32 K33 V35Q8-D28 WeakPolarHBondContact O-CA 3.34Å; Y9-D28 HydrophobicContact CD1-CB 4Å; Y9-D28 HydrophobicContact CE1-CB 3.99Å; D28-E30 VanDerWaalsContact C-N 3.26Å; D28-E30 PolarHBondContact O-N 3.05Å; D28-E30 PolarHBondContact OD1-N 3.2Å; D28-S31 WeakPolarHBondContact OD2-CB 3.48Å; D28-S31 PolarHBondContact OD2-N 2.73Å; D28-S31 PolarHBondContact OD2-OG 3.42Å; D28-G32 WeakPolarHBondContact O-CA 3.36Å; D28-G32 PolarHBondContact O-N 3.2Å; D28-K33 PolarHBondContact N-O 2.66Å; D28-V35 HydrophobicContact CB-CG1 4.31Å
29T91.8Very high87Confident81 Ų8148.9 Ų48.950%0.49725%0.254SS..THydrogen-bonded Turntrans-72.9-20-176.158.70000112.5M7 Q8 E10 R27M7-T29 PolarHBondContact O-OG1 3.13Å; Q8-T29 WeakPolarHBondContact CA-OG1 3.2Å; Q8-T29 PolarHBondContact O-N 3.07Å; Q8-T29 PolarHBondContact O-OG1 3.32Å; Q8-T29 VanDerWaalsContact O-OG1 3.11Å; E10-T29 HydrophobicContact CB-CG2 4.37Å; R27-T29 PolarHBondContact O-N 3.12Å
30E90.8Very high88.1Confident163 Ų16348 Ų4876%0.76225%0.246SC*.THydrogen-bonded Turntrans-82.6-52.5177.8-171.7178179.900111.3D28D28-E30 VanDerWaalsContact C-N 3.26Å; D28-E30 PolarHBondContact O-N 3.05Å; D28-E30 PolarHBondContact OD1-N 3.2Å
31S91.6Very high88.9Confident59 Ų5953.6 Ų53.641%0.41327%0.267SS..THydrogen-bonded Turntrans-89-16.3-178.573.60000114.5D28 K33D28-S31 WeakPolarHBondContact OD2-CB 3.48Å; D28-S31 PolarHBondContact OD2-N 2.73Å; D28-S31 PolarHBondContact OD2-OG 3.42Å; S31-K33 PolarHBondContact O-N 3.23Å; S31-K33 WeakPolarHBondContact OG-CB 3.39Å; S31-K33 PolarHBondContact OG-N 3.27Å
32G91.9Very high89.1Confident30 Ų3052.8 Ų52.831%0.30926%0.258SS..  trans73.2-1.2-173.500000114.9R27 D28R27-G32 PolarHBondContact NE-O 3.35Å; D28-G32 WeakPolarHBondContact O-CA 3.36Å; D28-G32 PolarHBondContact O-N 3.2Å
33K93.3Very high88.9Confident148 Ų14855.7 Ų55.764%0.64327%0.268SS*.  trans-82.4159.5-177.4-64.2179.5-179.11750111.9D28 S31D28-K33 PolarHBondContact N-O 2.66Å; S31-K33 PolarHBondContact O-N 3.23Å; S31-K33 WeakPolarHBondContact OG-CB 3.39Å; S31-K33 PolarHBondContact OG-N 3.27Å
34F94.4Very high88.3Confident97 Ų9754.9 Ų54.943%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-83.2140.7172.5-68.4-63.4000111.8V12 K25 A26 R27 H95V12-F34 HydrophobicContact CG2-CE1 4.19Å; K25-F34 HydrophobicContact CD-CD1 4.27Å; K25-F34 HydrophobicContact CG-CD1 4.03Å; K25-F34 HydrophobicContact CG-CG 4.47Å; A26-F34 CarbonylContact O-C 3.53Å; A26-F34 WeakPolarHBondContact O-CA 3.46Å; R27-F34 HydrophobicContact CB-CD1 4.44Å; R27-F34 HydrophobicContact CB-CE1 4.42Å; F34-H95 HydrophobicContact CB-CB 4.05Å; F34-H95 WeakPolarHBondContact O-CB 3.46Å
35V94.7Very high87.5Confident0 Ų055.7 Ų55.70%027%0.273CS..EExtended strand (participates in β ladder)trans-129162.3175-60.40000110.2Y9 A26 D28 L37 M75 V92 F93Y9-V35 HydrophobicContact CD1-CG2 3.68Å; Y9-V35 HydrophobicContact CE1-CG1 4.44Å; Y9-V35 HydrophobicContact CE1-CG2 4.17Å; Y9-V35 HydrophobicContact CG-CG2 4.45Å; A26-V35 HydrophobicContact CB-CG2 3.97Å; A26-V35 PolarHBondContact N-O 3.36Å; A26-V35 PolarHBondContact O-N 3.44Å; D28-V35 HydrophobicContact CB-CG1 4.31Å; V35-L37 HydrophobicContact CG2-CD2 4Å; V35-L37 HydrophobicContact CG2-CG 4.49Å; V35-M75 HydrophobicContact CG1-CE 4.27Å; V35-M75 HydrophobicContact CG1-SD 3.94Å; V35-V92 HydrophobicContact CB-CG1 3.88Å; V35-V92 HydrophobicContact CG1-CG1 4.17Å; V35-V92 HydrophobicContact CG2-CG1 3.97Å; V35-F93 WeakPolarHBondContact CA-O 3.33Å; V35-F93 WeakPolarHBondContact CB-O 3.45Å
36A93.4Very high86.5Confident12 Ų1263 Ų6310%0.09931%0.307CS..EExtended strand (participates in β ladder)trans-107.5118.4171.800000110I15 V23 Y24 F93I15-A36 HydrophobicContact CD1-CB 4.45Å; V23-A36 HydrophobicContact CG1-CB 4.24Å; Y24-A36 CarbonylContact O-C 3.3Å; Y24-A36 WeakPolarHBondContact O-CA 3.44Å; A36-F93 HydrophobicContact CB-CB 4.31Å; A36-F93 PolarHBondContact N-O 3.35Å; A36-F93 PolarHBondContact O-N 2.91Å
37L91.7Very high85.5Confident14 Ų1469.7 Ų69.77%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-95112.3176.4-54.7-178000109.4Y9 V23 Y24 A26 V35 T90 V92Y9-L37 HydrophobicContact CD2-CD2 4.37Å; Y9-L37 HydrophobicContact CG-CD2 4.06Å; V23-L37 WeakPolarHBondContact CA-O 3.3Å; Y24-L37 PolarHBondContact N-O 3.5Å; Y24-L37 PolarHBondContact O-N 2.91Å; A26-L37 HydrophobicContact CB-CD1 3.43Å; A26-L37 VanDerWaalsContact CB-CD1 3.43Å; A26-L37 HydrophobicContact CB-CD2 4.37Å; A26-L37 HydrophobicContact CB-CG 3.63Å; V35-L37 HydrophobicContact CG2-CD2 4Å; V35-L37 HydrophobicContact CG2-CG 4.49Å; L37-T90 HydrophobicContact CB-CG2 4.04Å; L37-T90 HydrophobicContact CD2-CG2 4.19Å; L37-V92 HydrophobicContact CD2-CB 4.28Å; L37-V92 HydrophobicContact CD2-CG1 4Å; L37-V92 HydrophobicContact CD2-CG2 3.77Å
38K87.6Confident84.6Confident4 Ų464.1 Ų64.12%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-102.9114.8173.9-168.5173.6-161.7-176.60110.1V23 V40 T90 L91 F93 D158 L161 Y165V23-K38 HydrophobicContact CG2-CG 4.17Å; K38-V40 HydrophobicContact CG-CG2 4.41Å; K38-T90 WeakPolarHBondContact O-CA 3.42Å; K38-L91 HydrophobicContact CB-CB 4.41Å; K38-L91 PolarHBondContact N-O 2.96Å; K38-L91 PolarHBondContact O-N 3Å; K38-F93 HydrophobicContact CB-CD2 4.27Å; K38-F93 HydrophobicContact CB-CE2 4.02Å; K38-F93 HydrophobicContact CD-CE2 4.36Å; K38-D158 IonicContact NZ-OD1 3.16Å; K38-D158 PolarHBondContact NZ-OD1 2.81Å; K38-D158 IonicContact NZ-OD2 3.8Å; K38-D158 PolarHBondContact NZ-OD2 2.94Å; K38-L161 HydrophobicContact CD-CD1 4.4Å; K38-Y165 WeakPolarHBondContact CD-OH 3.47Å; K38-Y165 WeakPolarHBondContact CE-OH 3.48Å; K38-Y165 PolarHBondContact NZ-OH 2.85Å
39N83.9Confident83.8Confident27 Ų2765.8 Ų65.814%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-89.6123.5178.5-69.4-68.8000110.5T22 Y24 K88 T90T22-N39 PolarHBondContact O-N 2.88Å; Y24-N39 WeakPolarHBondContact CD2-ND2 3.44Å; Y24-N39 WeakPolarHBondContact CE2-ND2 3.39Å; N39-K88 WeakPolarHBondContact OD1-CE 3.44Å; N39-T90 PolarHBondContact OD1-OG1 3.31Å
40V78.3Confident83.1Confident2 Ų264 Ų641%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-121.1133.4177.1-170.90000109.2K38 V42 V89 L91 I164 Y165K38-V40 HydrophobicContact CG-CG2 4.41Å; V40-V42 HydrophobicContact CG1-CG2 4.16Å; V40-V89 PolarHBondContact N-O 2.9Å; V40-V89 PolarHBondContact O-N 3.12Å; V40-L91 HydrophobicContact CG2-CD1 4.26Å; V40-I164 HydrophobicContact CG1-CG2 3.56Å; V40-Y165 HydrophobicContact CB-CE1 4.37Å; V40-Y165 HydrophobicContact CG1-CD1 4.17Å; V40-Y165 HydrophobicContact CG1-CE1 3.64Å; V40-Y165 HydrophobicContact CG2-CE1 3.82Å
41R77.2Confident82.6Confident143 Ų14360.7 Ų60.754%0.5431%0.314SS..EExtended strand (participates in β ladder)trans-101121.6171.7-52.2-172.7-169-176.72.3108.3E86 Q168R41-E86 WeakPolarHBondContact CD-OE2 3.13Å; R41-E86 IonicContact NH1-OE1 3.09Å; R41-Q168 PolarHBondContact O-NE2 2.95Å
42V76.5Confident81.8Confident6 Ų660.8 Ų60.84%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-111.2125.8-179.3-171.70000107.3V40 T44 L49 P50 T53 E86 T87 V89 I164V40-V42 HydrophobicContact CG1-CG2 4.16Å; V42-T44 PolarHBondContact O-N 2.82Å; V42-L49 HydrophobicContact CB-CD2 3.63Å; V42-L49 HydrophobicContact CG1-CD2 3.66Å; V42-L49 HydrophobicContact CG2-CD2 4.19Å; V42-P50 HydrophobicContact CG1-CG 4.11Å; V42-T53 HydrophobicContact CB-CG2 4.39Å; V42-T53 HydrophobicContact CG1-CG2 3.74Å; V42-T53 HydrophobicContact CG2-CG2 3.79Å; V42-E86 CarbonylContact O-C 3.41Å; V42-E86 WeakPolarHBondContact O-CA 3.49Å; V42-T87 PolarHBondContact N-O 3.31Å; V42-T87 PolarHBondContact O-N 3.31Å; V42-V89 HydrophobicContact CG2-CG2 4.16Å; V42-I164 HydrophobicContact CG2-CG2 4.12Å
43Q76.3Confident81.1Confident103 Ų10359.8 Ų59.848%0.48130%0.302SS..EExtended strand (participates in β ladder)trans-60.8133.1172-72.7-173.8-1600109.2P50Q43-P50 WeakPolarHBondContact O-CD 3.36Å; Q43-P50 VanDerWaalsContact O-CG 3.32Å; Q43-P50 WeakPolarHBondContact O-CG 3.39Å
44T75.9Confident80.4Confident13 Ų1356.3 Ų56.38%0.0829%0.293CS..  trans-122.3142.4178.450.20000110.4V42 G48 L49 Q85 E86 T87V42-T44 PolarHBondContact O-N 2.82Å; T44-G48 VanDerWaalsContact CA-O 3.26Å; T44-G48 WeakPolarHBondContact CA-O 3.49Å; T44-G48 WeakPolarHBondContact CB-O 3.23Å; T44-G48 VanDerWaalsContact CG2-O 3.32Å; T44-G48 WeakPolarHBondContact CG2-O 3.46Å; T44-L49 HydrophobicContact CG2-CD2 3.79Å; T44-L49 HydrophobicContact CG2-CG 4.23Å; T44-Q85 PolarHBondContact N-O 3.41Å; T44-E86 WeakPolarHBondContact OG1-CA 3.44Å; T44-E86 PolarHBondContact OG1-N 3.03Å; T44-T87 WeakPolarHBondContact CG2-OG1 3.39Å
45D73.9Confident79.7Confident90 Ų9060.4 Ų60.448%0.48131%0.306SS..BIsolated β-bridgetrans-103.8-170.1171.269.61.3000110N47 G48D45-N47 PolarHBondContact O-N 3.41Å; D45-N47 VanDerWaalsContact O-N 3.07Å; D45-N47 VanDerWaalsContact OD1-CA 3.26Å; D45-N47 WeakPolarHBondContact OD1-CA 3.27Å; D45-N47 WeakPolarHBondContact OD1-CB 3.43Å; D45-N47 PolarHBondContact OD1-N 2.83Å; D45-N47 PolarHBondContact OD2-ND2 3.2Å; D45-N47 VanDerWaalsContact OD2-ND2 3.13Å; D45-G48 PolarHBondContact N-O 3.25Å; D45-G48 PolarHBondContact O-N 2.86Å; D45-G48 PolarHBondContact OD1-N 3.03Å
46Q71.5Confident78.9Confident194 Ų19461.6 Ų61.691%0.90731%0.311SS*.THydrogen-bonded Turntrans-58.3-21.4176.3-60.7-177.821.900112.8
47N71.8Confident78.3Confident141 Ų14162.1 Ų62.175%0.75431%0.313SS*.THydrogen-bonded Turntrans-90.1-3.2178.1-49.6-57.8000113D45D45-N47 PolarHBondContact O-N 3.41Å; D45-N47 VanDerWaalsContact O-N 3.07Å; D45-N47 VanDerWaalsContact OD1-CA 3.26Å; D45-N47 WeakPolarHBondContact OD1-CA 3.27Å; D45-N47 WeakPolarHBondContact OD1-CB 3.43Å; D45-N47 PolarHBondContact OD1-N 2.83Å; D45-N47 PolarHBondContact OD2-ND2 3.2Å; D45-N47 VanDerWaalsContact OD2-ND2 3.13Å
48G76.7Confident77.8Confident7 Ų764.1 Ų64.17%0.07233%0.332CS..BIsolated β-bridgetrans94.5-137.3177.800000113.5T44 D45T44-G48 VanDerWaalsContact CA-O 3.26Å; T44-G48 WeakPolarHBondContact CA-O 3.49Å; T44-G48 WeakPolarHBondContact CB-O 3.23Å; T44-G48 VanDerWaalsContact CG2-O 3.32Å; T44-G48 WeakPolarHBondContact CG2-O 3.46Å; D45-G48 PolarHBondContact N-O 3.25Å; D45-G48 PolarHBondContact O-N 2.86Å; D45-G48 PolarHBondContact OD1-N 3.03Å
49L76.7Confident77.6Confident48 Ų4867 Ų6725%0.25135%0.347SS..SBendtrans-70.5138.2-179-74.4170.3000111V42 T44 V51 V54 T87 V89V42-L49 HydrophobicContact CB-CD2 3.63Å; V42-L49 HydrophobicContact CG1-CD2 3.66Å; V42-L49 HydrophobicContact CG2-CD2 4.19Å; T44-L49 HydrophobicContact CG2-CD2 3.79Å; T44-L49 HydrophobicContact CG2-CG 4.23Å; L49-V51 PolarHBondContact O-N 3.46Å; L49-V54 HydrophobicContact CB-CG2 3.75Å; L49-V54 HydrophobicContact CD1-CG2 4.43Å; L49-T87 HydrophobicContact CD2-CG2 4.09Å; L49-T87 HydrophobicContact CG-CG2 4.48Å; L49-V89 HydrophobicContact CD1-CG2 4.46Å; L49-V89 HydrophobicContact CD2-CG2 4.33Å
50P78.1Confident77.5Confident44 Ų4466 Ų6629%0.28634%0.341SS..  trans-54.1136.2172.9-25.833.9000111.4V42 Q43 S52 T53 V54V42-P50 HydrophobicContact CG1-CG 4.11Å; Q43-P50 WeakPolarHBondContact O-CD 3.36Å; Q43-P50 VanDerWaalsContact O-CG 3.32Å; Q43-P50 WeakPolarHBondContact O-CG 3.39Å; P50-S52 PolarHBondContact O-N 2.74Å; P50-S52 VanDerWaalsContact O-N 3.15Å; P50-T53 WeakPolarHBondContact O-CB 3.49Å; P50-T53 PolarHBondContact O-N 2.91Å; P50-V54 PolarHBondContact O-N 2.85Å; P50-V54 VanDerWaalsContact O-N 3.07Å
51V78.6Confident77.7Confident93 Ų9369.2 Ų69.256%0.56436%0.355SS*.Hα-helixtrans-57.6-32.9-179.41780000111.5L49 V54 R55L49-V51 PolarHBondContact O-N 3.46Å; V51-V54 PolarHBondContact O-N 2.8Å; V51-R55 HydrophobicContact CG1-CG 4.36Å; V51-R55 WeakPolarHBondContact O-CB 3.4Å; V51-R55 VanDerWaalsContact O-CG 3.25Å; V51-R55 WeakPolarHBondContact O-CG 3.5Å; V51-R55 PolarHBondContact O-N 3.48Å
52S75.1Confident78.1Confident61 Ų6169.8 Ų69.843%0.42736%0.358SS..Hα-helixtrans-59.4-48.6173.247.50000112.2P50 R55 E56P50-S52 PolarHBondContact O-N 2.74Å; P50-S52 VanDerWaalsContact O-N 3.15Å; S52-R55 PolarHBondContact O-N 3.13Å; S52-E56 PolarHBondContact O-N 3.08Å
53T76.8Confident78.5Confident8 Ų870 Ų705%0.04936%0.358CS..Hα-helixtrans-62-46.6177.7-55.30000111.2V42 P50 R55 E56 V57 I164V42-T53 HydrophobicContact CB-CG2 4.39Å; V42-T53 HydrophobicContact CG1-CG2 3.74Å; V42-T53 HydrophobicContact CG2-CG2 3.79Å; P50-T53 WeakPolarHBondContact O-CB 3.49Å; P50-T53 PolarHBondContact O-N 2.91Å; T53-R55 VanDerWaalsContact C-N 3.3Å; T53-R55 PolarHBondContact O-N 2.84Å; T53-E56 PolarHBondContact O-N 3.14Å; T53-V57 WeakPolarHBondContact O-CG2 3.23Å; T53-V57 PolarHBondContact O-N 2.87Å; T53-I164 HydrophobicContact CG2-CD1 4.2Å; T53-I164 HydrophobicContact CG2-CG1 3.77Å; T53-I164 HydrophobicContact CG2-CG2 4.16Å
54V79.5Confident78.9Confident75 Ų7568 Ų6846%0.45535%0.349SS..Hα-helixtrans-59.9-42.5178.3177.10000110.9L49 P50 V51 A58L49-V54 HydrophobicContact CB-CG2 3.75Å; L49-V54 HydrophobicContact CD1-CG2 4.43Å; P50-V54 PolarHBondContact O-N 2.85Å; P50-V54 VanDerWaalsContact O-N 3.07Å; V51-V54 PolarHBondContact O-N 2.8Å; V54-A58 VanDerWaalsContact O-CB 3.23Å; V54-A58 WeakPolarHBondContact O-CB 3.23Å; V54-A58 PolarHBondContact O-N 2.83Å
55R79.5Confident79.3Confident184 Ų18474.8 Ų74.869%0.69438%0.38SS*.Hα-helixtrans-64.5-41.7177.2-75.7176.1-179.1-178.72.4112.7V51 S52 T53 L59V51-R55 HydrophobicContact CG1-CG 4.36Å; V51-R55 WeakPolarHBondContact O-CB 3.4Å; V51-R55 VanDerWaalsContact O-CG 3.25Å; V51-R55 WeakPolarHBondContact O-CG 3.5Å; V51-R55 PolarHBondContact O-N 3.48Å; S52-R55 PolarHBondContact O-N 3.13Å; T53-R55 VanDerWaalsContact C-N 3.3Å; T53-R55 PolarHBondContact O-N 2.84Å; R55-L59 WeakPolarHBondContact O-CB 3.19Å; R55-L59 PolarHBondContact O-N 2.76Å
56E78.5Confident79.9Confident24 Ų2475.1 Ų75.111%0.11238%0.377CS..Hα-helixtrans-65.6-47.2177.6-73.7-165162.300111.2S52 T53 A58 L59 L60 G160 K163 I164S52-E56 PolarHBondContact O-N 3.08Å; T53-E56 PolarHBondContact O-N 3.14Å; E56-A58 VanDerWaalsContact C-N 3.35Å; E56-A58 PolarHBondContact O-N 3.24Å; E56-L59 WeakPolarHBondContact O-CB 3.49Å; E56-L59 PolarHBondContact O-N 3.35Å; E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 2.94Å; E56-G160 VanDerWaalsContact OE2-O 3.06Å; E56-K163 WeakPolarHBondContact OE1-CB 3.39Å; E56-K163 VanDerWaalsContact OE1-CD 3.28Å; E56-K163 WeakPolarHBondContact OE1-CD 3.48Å; E56-K163 WeakPolarHBondContact OE1-CG 3.44Å; E56-K163 WeakPolarHBondContact OE2-CB 3.46Å; E56-K163 PolarHBondContact OE2-N 2.94Å; E56-I164 HydrophobicContact CB-CD1 3.87Å; E56-I164 HydrophobicContact CB-CG1 4.11Å; E56-I164 WeakPolarHBondContact OE2-CG1 3.42Å; E56-I164 PolarHBondContact OE2-N 3.01Å
57V79.9Confident80.7Confident24 Ų2470.1 Ų70.115%0.14536%0.357CS..Hα-helixtrans-61.3-42.4176.2174.10000111.8T53 L59 L60 K61 V77 L91 I164T53-V57 WeakPolarHBondContact O-CG2 3.23Å; T53-V57 PolarHBondContact O-N 2.87Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 2.87Å; V57-L60 PolarHBondContact O-N 2.83Å; V57-K61 WeakPolarHBondContact O-CB 3.38Å; V57-K61 PolarHBondContact O-N 3.29Å; V57-V77 HydrophobicContact CG1-CB 4.41Å; V57-V77 HydrophobicContact CG1-CG1 3.88Å; V57-V77 HydrophobicContact CG1-CG2 3.8Å; V57-L91 HydrophobicContact CG2-CD2 4.46Å; V57-I164 HydrophobicContact CG2-CD1 3.93Å
58A82.6Confident81.9Confident56 Ų5665.3 Ų65.346%0.46333%0.33SS..Hα-helixtrans-63.7-37.5176.700000112.2V54 E56 K61 R62V54-A58 VanDerWaalsContact O-CB 3.23Å; V54-A58 WeakPolarHBondContact O-CB 3.23Å; V54-A58 PolarHBondContact O-N 2.83Å; E56-A58 VanDerWaalsContact C-N 3.35Å; E56-A58 PolarHBondContact O-N 3.24Å; A58-K61 PolarHBondContact O-N 3.11Å; A58-R62 WeakPolarHBondContact O-CB 3.46Å; A58-R62 PolarHBondContact O-N 3.16Å
59L82Confident82.8Confident63 Ų6367.9 Ų67.933%0.3335%0.345SS..Hα-helixtrans-65.3-45.6175.4-176.359.6000111.3R55 E56 V57 K61 R62 M63 V136R55-L59 WeakPolarHBondContact O-CB 3.19Å; R55-L59 PolarHBondContact O-N 2.76Å; E56-L59 WeakPolarHBondContact O-CB 3.49Å; E56-L59 PolarHBondContact O-N 3.35Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 2.87Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.28Å; L59-R62 WeakPolarHBondContact O-CB 3.49Å; L59-R62 PolarHBondContact O-N 2.97Å; L59-M63 WeakPolarHBondContact O-CG 3.29Å; L59-M63 PolarHBondContact O-N 2.91Å; L59-V136 HydrophobicContact CD1-CG2 4.32Å; L59-V136 HydrophobicContact CD2-CG2 3.49Å; L59-V136 VanDerWaalsContact CD2-CG2 3.49Å; L59-V136 HydrophobicContact CG-CG2 3.91Å
60L81.4Confident83.8Confident6 Ų666.1 Ų66.13%0.03134%0.336CS..Hα-helixtrans-60.2-42.4174.9-65.3178.6000111.9E56 V57 R62 M63 E64 L74 F159 L161E56-L60 WeakPolarHBondContact O-CG 3.12Å; E56-L60 PolarHBondContact O-N 2.94Å; V57-L60 PolarHBondContact O-N 2.83Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.47Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.44Å; L60-M63 VanDerWaalsContact O-N 3.16Å; L60-E64 PolarHBondContact O-N 2.91Å; L60-L74 HydrophobicContact CB-CD2 3.59Å; L60-F159 HydrophobicContact CD2-CD2 3.46Å; L60-F159 VanDerWaalsContact CD2-CD2 3.46Å; L60-F159 HydrophobicContact CD2-CE2 3.11Å; L60-F159 HydrophobicContact CD2-CG 4.48Å; L60-F159 HydrophobicContact CD2-CZ 3.89Å; L60-F159 WeakPolarHBondContact CD2-O 3.44Å; L60-L161 HydrophobicContact CD1-CD2 3.33Å; L60-L161 HydrophobicContact CD1-CG 3.99Å
61K83.8Confident84.6Confident70 Ų7064.5 Ų64.530%0.30433%0.325SS..Hα-helixtrans-67.5-33.6177.3-166.357.7170.5166.50112.1V57 A58 L59 M63 E64 L74 M75V57-K61 WeakPolarHBondContact O-CB 3.38Å; V57-K61 PolarHBondContact O-N 3.29Å; A58-K61 PolarHBondContact O-N 3.11Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.28Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-E64 WeakPolarHBondContact CD-OE2 3.26Å; K61-E64 WeakPolarHBondContact CE-OE2 3.38Å; K61-E64 VanDerWaalsContact NZ-CD 3.27Å; K61-E64 IonicContact NZ-OE1 3.37Å; K61-E64 PolarHBondContact NZ-OE1 3.33Å; K61-E64 IonicContact NZ-OE2 3.58Å; K61-E64 PolarHBondContact NZ-OE2 2.85Å; K61-E64 VanDerWaalsContact O-CB 3.29Å; K61-E64 WeakPolarHBondContact O-CB 3.39Å; K61-E64 PolarHBondContact O-N 2.95Å; K61-L74 HydrophobicContact CB-CD2 4.38Å; K61-L74 PolarHBondContact NZ-O 2.97Å; K61-M75 PolarHBondContact NZ-O 3.4Å
62R85.4Confident85.3Confident155 Ų15560.4 Ų60.459%0.58530%0.3SS*.Hα-helixtrans-66.1-36.1171.8-175.6-179.8176.7-175-2.1111.8A58 L59 L60 E64 Q65A58-R62 WeakPolarHBondContact O-CB 3.46Å; A58-R62 PolarHBondContact O-N 3.16Å; L59-R62 WeakPolarHBondContact O-CB 3.49Å; L59-R62 PolarHBondContact O-N 2.97Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.47Å; R62-E64 PolarHBondContact O-N 3.2Å; R62-Q65 WeakPolarHBondContact O-CB 3.23Å; R62-Q65 PolarHBondContact O-N 2.91Å
63M84.9Confident86.1Confident10 Ų1062 Ų625%0.04930%0.297CS..Hα-helixtrans-64.2-29.1179.1-74.1-174.6135.800113.2L59 L60 K61 Q65 F66 F130 L131 N134 V136 F159L59-M63 WeakPolarHBondContact O-CG 3.29Å; L59-M63 PolarHBondContact O-N 2.91Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.44Å; L60-M63 VanDerWaalsContact O-N 3.16Å; K61-M63 VanDerWaalsContact C-N 3.33Å; M63-Q65 PolarHBondContact O-N 3.44Å; M63-F66 PolarHBondContact O-N 3.45Å; M63-F66 VanDerWaalsContact O-N 3.13Å; M63-F130 HydrophobicContact CE-CE1 4.07Å; M63-L131 HydrophobicContact CE-CD2 3.52Å; M63-L131 HydrophobicContact SD-CD2 3.89Å; M63-N134 HydrophobicContact CE-CB 3.69Å; M63-V136 HydrophobicContact CE-CB 3.69Å; M63-V136 HydrophobicContact CE-CG1 4.28Å; M63-V136 HydrophobicContact CE-CG2 3.3Å; M63-V136 HydrophobicContact SD-CB 4.47Å; M63-V136 HydrophobicContact SD-CG2 3.88Å; M63-F159 HydrophobicContact SD-CD2 4.09Å; M63-F159 HydrophobicContact SD-CE2 3.41Å; M63-F159 WeakPolarHBondContact SD-CE2 3.48Å; M63-F159 HydrophobicContact SD-CZ 4.31Å
64E83.8Confident86.7Confident61 Ų6161.8 Ų61.829%0.28530%0.296SS..Hα-helixtrans-53-36.4173.4-172.1-169.9-153.100112.4L60 K61 R62 F66 D67 L74 M75L60-E64 PolarHBondContact O-N 2.91Å; K61-E64 WeakPolarHBondContact CD-OE2 3.26Å; K61-E64 WeakPolarHBondContact CE-OE2 3.38Å; K61-E64 VanDerWaalsContact NZ-CD 3.27Å; K61-E64 IonicContact NZ-OE1 3.37Å; K61-E64 PolarHBondContact NZ-OE1 3.33Å; K61-E64 IonicContact NZ-OE2 3.58Å; K61-E64 PolarHBondContact NZ-OE2 2.85Å; K61-E64 VanDerWaalsContact O-CB 3.29Å; K61-E64 WeakPolarHBondContact O-CB 3.39Å; K61-E64 PolarHBondContact O-N 2.95Å; R62-E64 PolarHBondContact O-N 3.2Å; E64-F66 PolarHBondContact O-N 3.17Å; E64-F66 VanDerWaalsContact O-N 3.12Å; E64-D67 PolarHBondContact O-N 2.95Å; E64-D67 VanDerWaalsContact O-N 3.07Å; E64-L74 VanDerWaalsContact OE1-O 3.09Å; E64-M75 WeakPolarHBondContact OE1-CA 3.36Å
65Q84.7Confident87.2Confident157 Ų15761.5 Ų61.573%0.73429%0.29SS*.THydrogen-bonded Turntrans-62.9-21.4-177.6-61.8-179-20.400113.8R62 M63R62-Q65 WeakPolarHBondContact O-CB 3.23Å; R62-Q65 PolarHBondContact O-N 2.91Å; M63-Q65 PolarHBondContact O-N 3.44Å
66F87.4Confident87.6Confident96 Ų9654.8 Ų54.842%0.42127%0.268SS..THydrogen-bonded Turntrans-87.2-15179.9-63.3-87.3000113M63 E64 H68 F130M63-F66 PolarHBondContact O-N 3.45Å; M63-F66 VanDerWaalsContact O-N 3.13Å; E64-F66 PolarHBondContact O-N 3.17Å; E64-F66 VanDerWaalsContact O-N 3.12Å; F66-H68 PolarHBondContact O-N 2.91Å; F66-F130 HydrophobicContact CB-CE2 3.59Å; F66-F130 HydrophobicContact CB-CZ 3.52Å; F66-F130 HydrophobicContact CD1-CE2 4.02Å; F66-F130 HydrophobicContact CD1-CZ 4.48Å; F66-F130 HydrophobicContact CD2-CE2 4.24Å; F66-F130 AromaticContact CD2-CZ 3.9Å; F66-F130 HydrophobicContact CD2-CZ 3.9Å; F66-F130 AromaticContact CG-CE2 3.7Å; F66-F130 HydrophobicContact CG-CE2 3.7Å; F66-F130 AromaticContact CG-CZ 3.73Å; F66-F130 HydrophobicContact CG-CZ 3.73Å
67D88.6Confident88Confident89 Ų8955.9 Ų55.948%0.47628%0.276SS..  trans43.442.6179.8-162.723.6000113.3E64 R73E64-D67 PolarHBondContact O-N 2.95Å; E64-D67 VanDerWaalsContact O-N 3.07Å; D67-R73 WeakPolarHBondContact OD1-CD 3.5Å; D67-R73 IonicContact OD1-CZ 3.67Å; D67-R73 IonicContact OD1-NE 2.82Å; D67-R73 IonicContact OD1-NH1 3.48Å; D67-R73 PolarHBondContact OD1-NH1 3.41Å; D67-R73 IonicContact OD2-NH1 3.23Å
68H95.3Very high88.1Confident41 Ų4154.9 Ų54.919%0.1927%0.27CS..  trans-66.8128.7-173.9-172.3-81.7000110.3F66 N70 V71 F130F66-H68 PolarHBondContact O-N 2.91Å; H68-N70 PolarHBondContact ND1-N 2.9Å; H68-N70 VanDerWaalsContact ND1-N 3.13Å; H68-N70 PolarHBondContact O-N 2.99Å; H68-N70 VanDerWaalsContact O-N 3.08Å; H68-V71 HydrophobicContact CB-CB 4.34Å; H68-V71 HydrophobicContact CB-CG2 4.32Å; H68-V71 PolarHBondContact O-N 3.32Å; H68-V71 VanDerWaalsContact O-N 3.14Å; H68-F130 HydrophobicContact CB-CD1 3.98Å; H68-F130 HydrophobicContact CB-CD2 4.23Å; H68-F130 HydrophobicContact CB-CE1 4.01Å; H68-F130 HydrophobicContact CB-CE2 4.26Å; H68-F130 HydrophobicContact CB-CG 4.08Å; H68-F130 HydrophobicContact CB-CZ 4.16Å; H68-F130 AromaticContact CD2-CD2 3.7Å; H68-F130 AromaticContact CD2-CG 3.6Å; H68-F130 AromaticContact CG-CD1 3.99Å; H68-F130 AromaticContact CG-CG 3.76Å
69P96.4Very high87.8Confident61 Ų6153.6 Ų53.640%0.39626%0.26SS..THydrogen-bonded Turntrans-60.2-31.2-171.321.8-33.9000113.3K155P69-K155 WeakPolarHBondContact O-CG 3.26Å; P69-K155 PolarHBondContact O-NZ 2.83Å
70N97.5Very high87Confident11 Ų1151.7 Ų51.76%0.05925%0.251CS..THydrogen-bonded Turntrans-99.818.5-177.1-50.8115.2000115.8H68 Q123 V154 L156H68-N70 PolarHBondContact ND1-N 2.9Å; H68-N70 VanDerWaalsContact ND1-N 3.13Å; H68-N70 PolarHBondContact O-N 2.99Å; H68-N70 VanDerWaalsContact O-N 3.08Å; N70-Q123 VanDerWaalsContact CB-O 3.27Å; N70-Q123 WeakPolarHBondContact CB-O 3.36Å; N70-Q123 VanDerWaalsContact CG-O 3.22Å; N70-Q123 WeakPolarHBondContact ND2-CB 3.45Å; N70-Q123 PolarHBondContact ND2-OE1 2.81Å; N70-Q123 PolarHBondContact OD1-O 3.46Å; N70-V154 WeakPolarHBondContact CA-O 3.32Å; N70-V154 WeakPolarHBondContact CB-O 3.22Å; N70-V154 PolarHBondContact ND2-O 3.09Å; N70-L156 PolarHBondContact O-N 3.15Å
71V95.1Very high86.4Confident9 Ų957.8 Ų57.86%0.05528%0.279CS..BIsolated β-bridgetrans-128.1138.2173.91800000108.5H68 F130 L131 K155 F159H68-V71 HydrophobicContact CB-CB 4.34Å; H68-V71 HydrophobicContact CB-CG2 4.32Å; H68-V71 PolarHBondContact O-N 3.32Å; H68-V71 VanDerWaalsContact O-N 3.14Å; V71-F130 HydrophobicContact CG2-CD1 3.75Å; V71-F130 HydrophobicContact CG2-CE1 4.21Å; V71-L131 HydrophobicContact CG1-CD2 4.24Å; V71-L131 HydrophobicContact CG2-CD2 4.17Å; V71-L131 HydrophobicContact CG2-CG 4.36Å; V71-K155 PolarHBondContact O-NZ 3.4Å; V71-F159 HydrophobicContact CG1-CD1 4.07Å; V71-F159 HydrophobicContact CG1-CE1 3.19Å; V71-F159 HydrophobicContact CG1-CE2 4.18Å; V71-F159 HydrophobicContact CG1-CZ 3.26Å
72V93.3Very high85.8Confident8 Ų863.1 Ų63.15%0.04830%0.297CS..  trans-69.1137.2177.3780000110.1F93 E94 L147 L156 A157 F159V72-F93 HydrophobicContact CG1-CD1 3.83Å; V72-F93 HydrophobicContact CG1-CE1 4.19Å; V72-F93 HydrophobicContact CG2-CB 4.3Å; V72-F93 HydrophobicContact CG2-CD1 4.43Å; V72-E94 WeakPolarHBondContact CA-OE1 3.41Å; V72-E94 HydrophobicContact CG2-CG 3.54Å; V72-L147 HydrophobicContact CG2-CD1 4.36Å; V72-L156 WeakPolarHBondContact CB-O 3.42Å; V72-L156 WeakPolarHBondContact CG1-O 3.35Å; V72-L156 PolarHBondContact N-O 3.41Å; V72-A157 HydrophobicContact CB-CB 4.38Å; V72-A157 HydrophobicContact CG1-CB 3.98Å; V72-F159 HydrophobicContact CG1-CE1 3.98Å
73R90.9Very high85.2Confident93 Ų9358.2 Ų58.235%0.35129%0.287SS..  trans-81.8132.3177.6-71.1-176.1-78-164.19.7112.8D67 F93 E94D67-R73 WeakPolarHBondContact OD1-CD 3.5Å; D67-R73 IonicContact OD1-CZ 3.67Å; D67-R73 IonicContact OD1-NE 2.82Å; D67-R73 IonicContact OD1-NH1 3.48Å; D67-R73 PolarHBondContact OD1-NH1 3.41Å; D67-R73 IonicContact OD2-NH1 3.23Å; R73-F93 CarbonylContact O-C 3.57Å; R73-F93 VanDerWaalsContact O-CA 3.23Å; R73-F93 WeakPolarHBondContact O-CA 3.31Å; R73-F93 WeakPolarHBondContact O-CD1 3.47Å; R73-E94 HydrophobicContact CB-CB 4.43Å; R73-E94 HydrophobicContact CB-CG 4.17Å; R73-E94 IonicContact CZ-OE2 3.79Å; R73-E94 PolarHBondContact N-OE1 3.23Å; R73-E94 IonicContact NE-OE1 3.66Å; R73-E94 IonicContact NE-OE2 3.01Å; R73-E94 PolarHBondContact NE-OE2 3.42Å; R73-E94 IonicContact NH2-OE2 3.64Å; R73-E94 PolarHBondContact NH2-OE2 3.45Å; R73-E94 PolarHBondContact O-N 2.88Å
74L90.4Very high84.6Confident5 Ų565.3 Ų65.33%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-89.195.7165.3177.866.6000109.4L60 K61 E64 D76 V77 L91 V92 F93L60-L74 HydrophobicContact CB-CD2 3.59Å; K61-L74 HydrophobicContact CB-CD2 4.38Å; K61-L74 PolarHBondContact NZ-O 2.97Å; E64-L74 VanDerWaalsContact OE1-O 3.09Å; L74-D76 WeakPolarHBondContact CD1-O 3.18Å; L74-V77 HydrophobicContact CD1-CG2 4.19Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 HydrophobicContact CG-CG2 4.18Å; L74-L91 HydrophobicContact CD1-CB 3.86Å; L74-L91 HydrophobicContact CD1-CD2 4.22Å; L74-V92 CarbonylContact C-O 3.44Å; L74-F93 HydrophobicContact CB-CD1 4.2Å; L74-F93 HydrophobicContact CB-CE1 3.99Å; L74-F93 HydrophobicContact CD1-CD1 4.15Å; L74-F93 HydrophobicContact CD1-CE1 3.83Å; L74-F93 HydrophobicContact CD1-CE2 4.3Å; L74-F93 HydrophobicContact CD1-CZ 3.91Å; L74-F93 HydrophobicContact CG-CE1 4.47Å
75M89.1Confident84.3Confident68 Ų6870 Ų7034%0.33535%0.347SS..EExtended strand (participates in β ladder)trans-71.6-38.4-175.9-60.717961.900112.5V35 K61 E64 V92 E94V35-M75 HydrophobicContact CG1-CE 4.27Å; V35-M75 HydrophobicContact CG1-SD 3.94Å; K61-M75 PolarHBondContact NZ-O 3.4Å; E64-M75 WeakPolarHBondContact OE1-CA 3.36Å; M75-V92 HydrophobicContact CB-CG1 4.41Å; M75-V92 PolarHBondContact N-O 2.99Å; M75-E94 HydrophobicContact SD-CB 4.18Å
76D88.1Confident84Confident44 Ų4466.1 Ų66.124%0.23533%0.329CS..EExtended strand (participates in β ladder)trans-155.9161.6-177.6-160.78.2000112.6Y9 L74 V92Y9-D76 PolarHBondContact OH-OD2 3.01Å; L74-D76 WeakPolarHBondContact CD1-O 3.18Å; D76-V92 HydrophobicContact CB-CB 3.88Å; D76-V92 HydrophobicContact CB-CG2 3.92Å; D76-V92 PolarHBondContact N-O 3.38Å; D76-V92 PolarHBondContact O-N 2.95Å
77V86.9Confident83.7Confident46 Ų4662 Ų6228%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-134.3114.9176.3-179.40000109V57 L74 V89 L91V57-V77 HydrophobicContact CG1-CB 4.41Å; V57-V77 HydrophobicContact CG1-CG1 3.88Å; V57-V77 HydrophobicContact CG1-CG2 3.8Å; L74-V77 HydrophobicContact CD1-CG2 4.19Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 HydrophobicContact CG-CG2 4.18Å; V77-V89 HydrophobicContact CG1-CG1 3.82Å; V77-L91 HydrophobicContact CB-CD2 4.48Å; V77-L91 HydrophobicContact CG1-CD2 4.01Å; V77-L91 HydrophobicContact CG2-CD2 3.93Å
78C83.5Confident83.3Confident4 Ų460.6 Ų60.63%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-114.1122.4-179.1-450000110.9T5 T80 T90T5-C78 HydrophobicContact CG2-CB 3.2Å; C78-T80 PolarHBondContact O-N 2.91Å; C78-T90 PolarHBondContact N-O 3.2Å; C78-T90 PolarHBondContact O-N 2.86Å
79A74.5Confident82.7Confident29 Ų2959.1 Ų59.124%0.2430%0.295CS..EExtended strand (participates in β ladder)trans-81.6110.7165.600000108.2M1M1-A79 HydrophobicContact SD-CB 4.14Å
80T66.4Low82.3Confident23 Ų2356.5 Ų56.514%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-90.9-42.7-169.749.80000113.2T5 C78 K88 T90T5-T80 HydrophobicContact CG2-CG2 3.17Å; T5-T80 WeakPolarHBondContact OG1-CG2 3.49Å; C78-T80 PolarHBondContact O-N 2.91Å; T80-K88 PolarHBondContact N-O 3.47Å; T80-K88 VanDerWaalsContact OG1-CB 3.28Å; T80-K88 WeakPolarHBondContact OG1-CB 3.49Å; T80-K88 WeakPolarHBondContact OG1-CD 3.24Å; T80-K88 WeakPolarHBondContact OG1-CG 3.47Å; T80-K88 PolarHBondContact OG1-O 2.99Å; T80-T90 WeakPolarHBondContact CG2-OG1 3.46Å
81Q68.3Low81.9Confident134 Ų13456.1 Ų56.163%0.62628%0.276SS*.EExtended strand (participates in β ladder)trans-150.8134.8-171.4-64.4-179-3.500108.6T87 K88Q81-T87 WeakPolarHBondContact O-CA 3.44Å; Q81-K88 HydrophobicContact CB-CB 4.28Å; Q81-K88 PolarHBondContact O-N 3.45Å
82R71.3Confident81.7Confident181 Ų18155.7 Ų55.768%0.68327%0.273SS*.EExtended strand (participates in β ladder)trans-122.1123.3175.5-176.9175.8-177.6-178.81.3108.1
83S72.9Confident81.6Confident52 Ų5256 Ų5636%0.36427%0.274SS..  trans-107.1175.8162.775.60000109.2Q85 E86S83-Q85 PolarHBondContact O-N 3.1Å; S83-Q85 PolarHBondContact OG-N 2.96Å; S83-E86 PolarHBondContact N-O 3.03Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.4Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-O 3.26Å
84D73.3Confident81.7Confident160 Ų16052.6 Ų52.686%0.85626%0.262SS*.SBendtrans-65.7-16.7176.3-65-23.8000112.9
85Q76.3Confident81.8Confident158 Ų15854.2 Ų54.274%0.73827%0.269SS*.SBendtrans-119.9-22.6-173.4-62.6-171.2-12.700113.9T44 S83T44-Q85 PolarHBondContact N-O 3.41Å; S83-Q85 PolarHBondContact O-N 3.1Å; S83-Q85 PolarHBondContact OG-N 2.96Å
86E79.1Confident82Confident77 Ų7751.8 Ų51.836%0.3626%0.258SS..EExtended strand (participates in β ladder)trans-145.3149.3179.860.9172.4-162.700113.1R41 V42 T44 S83R41-E86 WeakPolarHBondContact CD-OE2 3.13Å; R41-E86 IonicContact NH1-OE1 3.09Å; V42-E86 CarbonylContact O-C 3.41Å; V42-E86 WeakPolarHBondContact O-CA 3.49Å; T44-E86 WeakPolarHBondContact OG1-CA 3.44Å; T44-E86 PolarHBondContact OG1-N 3.03Å; S83-E86 PolarHBondContact N-O 3.03Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.4Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-O 3.26Å
87T80.8Confident81.9Confident8 Ų854.7 Ų54.75%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-117.7126.4167.8-65.40000109.4V42 T44 L49 Q81 V89V42-T87 PolarHBondContact N-O 3.31Å; V42-T87 PolarHBondContact O-N 3.31Å; T44-T87 WeakPolarHBondContact CG2-OG1 3.39Å; L49-T87 HydrophobicContact CD2-CG2 4.09Å; L49-T87 HydrophobicContact CG-CG2 4.48Å; Q81-T87 WeakPolarHBondContact O-CA 3.44Å; T87-V89 HydrophobicContact CG2-CG2 4.14Å
88K81Confident82.2Confident61 Ų6154.1 Ų54.127%0.26527%0.268SS..EExtended strand (participates in β ladder)trans-86.9113173.5-174.7-175.8172.6-173.30109.6N39 T80 Q81N39-K88 WeakPolarHBondContact OD1-CE 3.44Å; T80-K88 PolarHBondContact N-O 3.47Å; T80-K88 VanDerWaalsContact OG1-CB 3.28Å; T80-K88 WeakPolarHBondContact OG1-CB 3.49Å; T80-K88 WeakPolarHBondContact OG1-CD 3.24Å; T80-K88 WeakPolarHBondContact OG1-CG 3.47Å; T80-K88 PolarHBondContact OG1-O 2.99Å; Q81-K88 HydrophobicContact CB-CB 4.28Å; Q81-K88 PolarHBondContact O-N 3.45Å
89V82.7Confident82.8Confident10 Ų1055.9 Ų55.96%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-103.5127.6176.4-176.60000108.5V40 V42 L49 V77 T87 L91V40-V89 PolarHBondContact N-O 2.9Å; V40-V89 PolarHBondContact O-N 3.12Å; V42-V89 HydrophobicContact CG2-CG2 4.16Å; L49-V89 HydrophobicContact CD1-CG2 4.46Å; L49-V89 HydrophobicContact CD2-CG2 4.33Å; V77-V89 HydrophobicContact CG1-CG1 3.82Å; T87-V89 HydrophobicContact CG2-CG2 4.14Å; V89-L91 HydrophobicContact CG1-CD2 3.98Å
90T87.1Confident83.9Confident6 Ų654.6 Ų54.64%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-103.1120.6170.8-56.40000108.5L37 K38 N39 C78 T80L37-T90 HydrophobicContact CB-CG2 4.04Å; L37-T90 HydrophobicContact CD2-CG2 4.19Å; K38-T90 WeakPolarHBondContact O-CA 3.42Å; N39-T90 PolarHBondContact OD1-OG1 3.31Å; C78-T90 PolarHBondContact N-O 3.2Å; C78-T90 PolarHBondContact O-N 2.86Å; T80-T90 WeakPolarHBondContact CG2-OG1 3.46Å
91L88.1Confident85.2Confident3 Ų358.6 Ų58.62%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-95.8126.2172.4-56.8177.6000108K38 V40 V57 L74 V77 V89 F93 L161K38-L91 HydrophobicContact CB-CB 4.41Å; K38-L91 PolarHBondContact N-O 2.96Å; K38-L91 PolarHBondContact O-N 3Å; V40-L91 HydrophobicContact CG2-CD1 4.26Å; V57-L91 HydrophobicContact CG2-CD2 4.46Å; L74-L91 HydrophobicContact CD1-CB 3.86Å; L74-L91 HydrophobicContact CD1-CD2 4.22Å; V77-L91 HydrophobicContact CB-CD2 4.48Å; V77-L91 HydrophobicContact CG1-CD2 4.01Å; V77-L91 HydrophobicContact CG2-CD2 3.93Å; V89-L91 HydrophobicContact CG1-CD2 3.98Å; L91-F93 HydrophobicContact CB-CD2 4.1Å; L91-F93 HydrophobicContact CB-CE2 3.39Å; L91-F93 HydrophobicContact CB-CZ 3.95Å; L91-F93 HydrophobicContact CD1-CE2 4.05Å; L91-F93 HydrophobicContact CD1-CZ 4.03Å; L91-F93 HydrophobicContact CG-CE2 4.38Å; L91-L161 HydrophobicContact CD1-CD1 4.44Å; L91-L161 HydrophobicContact CD1-CD2 3.69Å
92V91.4Very high86.5Confident0 Ų054.6 Ų54.60%027%0.267CS..EExtended strand (participates in β ladder)trans-102.6111.2-179.4-173.10000108.2Y9 V35 L37 L74 M75 D76Y9-V92 HydrophobicContact CD1-CG1 4.31Å; Y9-V92 HydrophobicContact CD2-CG2 4.17Å; Y9-V92 HydrophobicContact CE1-CG1 3.78Å; Y9-V92 HydrophobicContact CE2-CG1 4.31Å; Y9-V92 HydrophobicContact CE2-CG2 3.75Å; V35-V92 HydrophobicContact CB-CG1 3.88Å; V35-V92 HydrophobicContact CG1-CG1 4.17Å; V35-V92 HydrophobicContact CG2-CG1 3.97Å; L37-V92 HydrophobicContact CD2-CB 4.28Å; L37-V92 HydrophobicContact CD2-CG1 4Å; L37-V92 HydrophobicContact CD2-CG2 3.77Å; L74-V92 CarbonylContact C-O 3.44Å; M75-V92 HydrophobicContact CB-CG1 4.41Å; M75-V92 PolarHBondContact N-O 2.99Å; D76-V92 HydrophobicContact CB-CB 3.88Å; D76-V92 HydrophobicContact CB-CG2 3.92Å; D76-V92 PolarHBondContact N-O 3.38Å; D76-V92 PolarHBondContact O-N 2.95Å
93F92.4Very high87.7Confident15 Ų1548.1 Ų48.17%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-106157.9178.9-65.2-85.1000111.5V35 A36 K38 V72 R73 L74 L91 L161V35-F93 WeakPolarHBondContact CA-O 3.33Å; V35-F93 WeakPolarHBondContact CB-O 3.45Å; A36-F93 HydrophobicContact CB-CB 4.31Å; A36-F93 PolarHBondContact N-O 3.35Å; A36-F93 PolarHBondContact O-N 2.91Å; K38-F93 HydrophobicContact CB-CD2 4.27Å; K38-F93 HydrophobicContact CB-CE2 4.02Å; K38-F93 HydrophobicContact CD-CE2 4.36Å; V72-F93 HydrophobicContact CG1-CD1 3.83Å; V72-F93 HydrophobicContact CG1-CE1 4.19Å; V72-F93 HydrophobicContact CG2-CB 4.3Å; V72-F93 HydrophobicContact CG2-CD1 4.43Å; R73-F93 CarbonylContact O-C 3.57Å; R73-F93 VanDerWaalsContact O-CA 3.23Å; R73-F93 WeakPolarHBondContact O-CA 3.31Å; R73-F93 WeakPolarHBondContact O-CD1 3.47Å; L74-F93 HydrophobicContact CB-CD1 4.2Å; L74-F93 HydrophobicContact CB-CE1 3.99Å; L74-F93 HydrophobicContact CD1-CD1 4.15Å; L74-F93 HydrophobicContact CD1-CE1 3.83Å; L74-F93 HydrophobicContact CD1-CE2 4.3Å; L74-F93 HydrophobicContact CD1-CZ 3.91Å; L74-F93 HydrophobicContact CG-CE1 4.47Å; L91-F93 HydrophobicContact CB-CD2 4.1Å; L91-F93 HydrophobicContact CB-CE2 3.39Å; L91-F93 HydrophobicContact CB-CZ 3.95Å; L91-F93 HydrophobicContact CD1-CE2 4.05Å; L91-F93 HydrophobicContact CD1-CZ 4.03Å; L91-F93 HydrophobicContact CG-CE2 4.38Å; F93-L161 HydrophobicContact CZ-CD1 4.44Å
94E92.1Very high88.8Confident21 Ų2146.1 Ų46.110%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-59.6140.7164.170.3-176.2152.300110.3V72 R73 M75 K155V72-E94 WeakPolarHBondContact CA-OE1 3.41Å; V72-E94 HydrophobicContact CG2-CG 3.54Å; R73-E94 HydrophobicContact CB-CB 4.43Å; R73-E94 HydrophobicContact CB-CG 4.17Å; R73-E94 IonicContact CZ-OE2 3.79Å; R73-E94 PolarHBondContact N-OE1 3.23Å; R73-E94 IonicContact NE-OE1 3.66Å; R73-E94 IonicContact NE-OE2 3.01Å; R73-E94 PolarHBondContact NE-OE2 3.42Å; R73-E94 IonicContact NH2-OE2 3.64Å; R73-E94 PolarHBondContact NH2-OE2 3.45Å; R73-E94 PolarHBondContact O-N 2.88Å; M75-E94 HydrophobicContact SD-CB 4.18Å; E94-K155 WeakPolarHBondContact OE1-CD 3.21Å; E94-K155 WeakPolarHBondContact OE1-CE 3.26Å; E94-K155 IonicContact OE1-NZ 3.23Å; E94-K155 PolarHBondContact OE1-NZ 2.98Å; E94-K155 IonicContact OE2-NZ 3.77Å
95H93.4Very high89.8Confident38 Ų3842.6 Ų42.618%0.17622%0.221CC..  trans-84.1133.4178.2-176.661.6000111K25 F34 D97K25-H95 WeakPolarHBondContact CE-NE2 3.17Å; K25-H95 PolarHBondContact NZ-NE2 3.49Å; F34-H95 HydrophobicContact CB-CB 4.05Å; F34-H95 WeakPolarHBondContact O-CB 3.46Å; H95-D97 IonicContact NE2-OD1 2.71Å
96V93.3Very high90.7Very high18 Ų1841.7 Ų41.711%0.10922%0.215CC..  trans-123.4138.3169.1-174.10000108.3Q98 L147 T149 K155V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 2.92Å; V96-L147 HydrophobicContact CB-CB 3.8Å; V96-L147 HydrophobicContact CB-CD1 3.87Å; V96-L147 HydrophobicContact CB-CG 4.4Å; V96-L147 HydrophobicContact CG1-CB 3.73Å; V96-L147 HydrophobicContact CG2-CB 4.1Å; V96-L147 HydrophobicContact CG2-CD1 3.9Å; V96-T149 HydrophobicContact CG1-CG2 3.93Å; V96-K155 HydrophobicContact CG2-CD 3.86Å
97D85.8Confident91.3Very high104 Ų10439 Ų3956%0.55621%0.205SC*.SBendtrans-69-25.5-164.4-63-49.8000114.8H95H95-D97 IonicContact NE2-OD1 2.71Å
98Q93.4Very high91.7Very high35 Ų3543.4 Ų43.416%0.16423%0.234CC..  trans-156.9156.3-176.862.2-168-1700112.6V96 T102 L147 V148V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 2.92Å; Q98-T102 HydrophobicContact CB-CG2 4.2Å; Q98-L147 WeakPolarHBondContact O-CA 3.47Å; Q98-V148 VanDerWaalsContact CG-O 3.26Å; Q98-V148 WeakPolarHBondContact CG-O 3.42Å; Q98-V148 PolarHBondContact O-N 3.41Å
99D95.3Very high91.9Very high40 Ų4043.8 Ų43.821%0.21426%0.255CS..BIsolated β-bridgetrans-87.9168.1168.559.541.6000112K101 T102 Y103 I146 L147D99-K101 VanDerWaalsContact C-N 3.28Å; D99-K101 PolarHBondContact O-N 3.35Å; D99-K101 WeakPolarHBondContact OD1-CB 3.28Å; D99-K101 PolarHBondContact OD1-N 2.77Å; D99-T102 PolarHBondContact O-N 2.88Å; D99-T102 WeakPolarHBondContact OD1-CB 3.34Å; D99-T102 PolarHBondContact OD1-N 2.78Å; D99-T102 PolarHBondContact OD1-OG1 3.42Å; D99-Y103 WeakPolarHBondContact O-CB 3.41Å; D99-Y103 PolarHBondContact O-N 3.13Å; D99-I146 CarbonylContact C-O 3.59Å; D99-I146 WeakPolarHBondContact CA-O 3.35Å; D99-L147 HydrophobicContact CB-CD2 4.17Å
100L97.1Very high92.2Very high3 Ų348.1 Ų48.12%0.01628%0.283CS..Hα-helixtrans-65.3-33.2-179.2179.764.3000111.2Y103 L104 L120 P143 I146 V148 I203 M207L100-Y103 HydrophobicContact CD1-CD1 4.21Å; L100-Y103 WeakPolarHBondContact O-CB 3.25Å; L100-Y103 PolarHBondContact O-N 3.19Å; L100-L104 HydrophobicContact CD1-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CG 4.19Å; L100-L104 HydrophobicContact CG-CD1 4.13Å; L100-L104 HydrophobicContact CG-CG 4.31Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.49Å; L100-L120 HydrophobicContact CD1-CD1 4.34Å; L100-P143 HydrophobicContact CB-CB 4.29Å; L100-P143 WeakPolarHBondContact CB-O 3.32Å; L100-P143 HydrophobicContact CG-CB 4.47Å; L100-P143 PolarHBondContact N-O 2.84Å; L100-I146 HydrophobicContact CB-CB 3.95Å; L100-I146 HydrophobicContact CB-CG2 4.06Å; L100-I146 WeakPolarHBondContact CB-O 3.19Å; L100-I146 HydrophobicContact CD2-CB 4.27Å; L100-I146 HydrophobicContact CD2-CD1 4.01Å; L100-I146 HydrophobicContact CD2-CG2 4.15Å; L100-I146 PolarHBondContact N-O 2.83Å; L100-V148 HydrophobicContact CB-CG2 4.14Å; L100-V148 HydrophobicContact CD1-CG2 3.99Å; L100-I203 HydrophobicContact CD2-CG2 3.62Å; L100-M207 HydrophobicContact CD1-SD 4.29Å; L100-M207 HydrophobicContact CD2-CG 4.33Å; L100-M207 HydrophobicContact CD2-SD 4.28Å
101K95.3Very high92.5Very high107 Ų10748.5 Ų48.547%0.46529%0.289SS..Hα-helixtrans-58.9-49.7175.5-175.8176.8-173.8171.10111.3D99 Y103 L104 A105 P143 E144D99-K101 VanDerWaalsContact C-N 3.28Å; D99-K101 PolarHBondContact O-N 3.35Å; D99-K101 WeakPolarHBondContact OD1-CB 3.28Å; D99-K101 PolarHBondContact OD1-N 2.77Å; K101-Y103 VanDerWaalsContact C-N 3.35Å; K101-L104 PolarHBondContact O-N 3.15Å; K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.38Å; K101-P143 HydrophobicContact CB-CB 3.9Å; K101-P143 PolarHBondContact N-O 3.28Å; K101-E144 HydrophobicContact CD-CG 3.8Å; K101-E144 VanDerWaalsContact CD-OE1 3.31Å; K101-E144 WeakPolarHBondContact CD-OE1 3.44Å; K101-E144 IonicContact NZ-OE1 3.85Å; K101-E144 PolarHBondContact NZ-OE1 3.35Å
102T95.1Very high92.9Very high50 Ų5049.4 Ų49.431%0.30729%0.293SS..Hα-helixtrans-66.3-39.6177.5-590000110.7Q98 D99 A105 K106Q98-T102 HydrophobicContact CB-CG2 4.2Å; D99-T102 PolarHBondContact O-N 2.88Å; D99-T102 WeakPolarHBondContact OD1-CB 3.34Å; D99-T102 PolarHBondContact OD1-N 2.78Å; D99-T102 PolarHBondContact OD1-OG1 3.42Å; T102-A105 PolarHBondContact O-N 3.08Å; T102-K106 HydrophobicContact CG2-CD 4.13Å; T102-K106 VanDerWaalsContact CG2-CE 3.44Å; T102-K106 WeakPolarHBondContact O-CG 3.36Å; T102-K106 PolarHBondContact O-N 3.46Å; T102-K106 VanDerWaalsContact O-N 3.08Å
103Y96.1Very high93.1Very high44 Ų4453.1 Ų53.117%0.17332%0.319CS..Hα-helixtrans-60.1-45.9175.2-173.4-100.4000112.1D99 L100 K101 K106 A107 L112 L120 V148D99-Y103 WeakPolarHBondContact O-CB 3.41Å; D99-Y103 PolarHBondContact O-N 3.13Å; L100-Y103 HydrophobicContact CD1-CD1 4.21Å; L100-Y103 WeakPolarHBondContact O-CB 3.25Å; L100-Y103 PolarHBondContact O-N 3.19Å; K101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-K106 PolarHBondContact O-N 3.34Å; Y103-A107 PolarHBondContact O-N 3.43Å; Y103-L112 HydrophobicContact CD1-CD1 4.1Å; Y103-L112 HydrophobicContact CD1-CD2 4.3Å; Y103-L112 HydrophobicContact CE1-CD1 3.75Å; Y103-L112 HydrophobicContact CE1-CD2 3.61Å; Y103-L112 HydrophobicContact CE1-CG 4.35Å; Y103-L120 HydrophobicContact CD1-CD1 4.41Å; Y103-L120 HydrophobicContact CE1-CD1 3.94Å; Y103-V148 HydrophobicContact CD1-CG1 4.47Å; Y103-V148 HydrophobicContact CD2-CB 4.23Å; Y103-V148 HydrophobicContact CD2-CG1 3.78Å; Y103-V148 HydrophobicContact CE2-CG1 3.9Å; Y103-V148 HydrophobicContact CG-CB 4.26Å; Y103-V148 HydrophobicContact CG-CG1 4.08Å; Y103-V148 HydrophobicContact CG-CG2 4.35Å
104L95.8Very high93.2Very high10 Ų1054.4 Ų54.45%0.05233%0.333CS..Hα-helixtrans-66.3-39.5176.7-69.7173000112.3L100 K101 K106 A107 L112 E206 M207L100-L104 HydrophobicContact CD1-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CG 4.19Å; L100-L104 HydrophobicContact CG-CD1 4.13Å; L100-L104 HydrophobicContact CG-CG 4.31Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.49Å; K101-L104 PolarHBondContact O-N 3.15Å; L104-K106 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 3.24Å; L104-A107 WeakPolarHBondContact O-CB 3.48Å; L104-A107 PolarHBondContact O-N 3.33Å; L104-L112 HydrophobicContact CD2-CD1 3.47Å; L104-L112 VanDerWaalsContact CD2-CD1 3.47Å; L104-L112 HydrophobicContact CD2-CG 4.04Å; L104-E206 HydrophobicContact CD1-CG 4.33Å; L104-M207 HydrophobicContact CD1-CG 4.29Å; L104-M207 HydrophobicContact CD2-CB 4.39Å; L104-M207 HydrophobicContact CD2-CG 4.18Å
105A94.7Very high93.4Very high87 Ų8754.4 Ų54.472%0.71934%0.339SS*.Hα-helixtrans-66.1-30.7178.400000113.2K101 T102K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.38Å; T102-A105 PolarHBondContact O-N 3.08Å
106K94.1Very high93.5Very high139 Ų13956.9 Ų56.960%0.60435%0.347SS*.THydrogen-bonded Turntrans-84.8-10.2176.8-70174.2-174.3167.30113.6T102 Y103 L104T102-K106 HydrophobicContact CG2-CD 4.13Å; T102-K106 VanDerWaalsContact CG2-CE 3.44Å; T102-K106 WeakPolarHBondContact O-CG 3.36Å; T102-K106 PolarHBondContact O-N 3.46Å; T102-K106 VanDerWaalsContact O-N 3.08Å; Y103-K106 PolarHBondContact O-N 3.34Å; L104-K106 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 3.24Å
107A91.8Very high93.7Very high19 Ų1956 Ų5616%0.15734%0.341CS..PPolyproline II helixtrans-61128.5-178.500000110Y103 L104 L112Y103-A107 PolarHBondContact O-N 3.43Å; L104-A107 WeakPolarHBondContact O-CB 3.48Å; L104-A107 PolarHBondContact O-N 3.33Å; A107-L112 HydrophobicContact CB-CD2 3.78Å; A107-L112 HydrophobicContact CB-CG 4.25Å
108P89.4Confident94.3Very high101 Ų10152.2 Ų52.266%0.65632%0.32SS*.PPolyproline II helixtrans-62.9156.3177.228.4-34.5000110.2G111P108-G111 WeakPolarHBondContact O-CA 3.45Å; P108-G111 PolarHBondContact O-N 2.8Å
109G86.3Confident94.6Very high69 Ų6952.3 Ų52.371%0.71132%0.322SS*.THydrogen-bonded Turntrans-59.3136.3169.400000110.2
110P88.8Confident94.7Very high101 Ų10150.6 Ų50.666%0.65631%0.312SS*.THydrogen-bonded Turncis-85.8-710.433.6-36.2000116.4R210P110-R210 PolarHBondContact O-NH1 3.36Å; P110-R210 PolarHBondContact O-NH2 2.96Å; P110-R210 VanDerWaalsContact O-NH2 3.13Å
111G93.7Very high94.8Very high15 Ų1550.4 Ų50.416%0.15531%0.311CS..  trans142.7-161.1-173.800000110.9P108P108-G111 WeakPolarHBondContact O-CA 3.45Å; P108-G111 PolarHBondContact O-N 2.8Å
112L95.3Very high94.9Very high21 Ų2151.1 Ų51.111%0.1131%0.311CS..SBendtrans-75.5144.6169.9-60.4-177.1000110Y103 L104 A107 R116 I117 L120Y103-L112 HydrophobicContact CD1-CD1 4.1Å; Y103-L112 HydrophobicContact CD1-CD2 4.3Å; Y103-L112 HydrophobicContact CE1-CD1 3.75Å; Y103-L112 HydrophobicContact CE1-CD2 3.61Å; Y103-L112 HydrophobicContact CE1-CG 4.35Å; L104-L112 HydrophobicContact CD2-CD1 3.47Å; L104-L112 VanDerWaalsContact CD2-CD1 3.47Å; L104-L112 HydrophobicContact CD2-CG 4.04Å; A107-L112 HydrophobicContact CB-CD2 3.78Å; A107-L112 HydrophobicContact CB-CG 4.25Å; L112-R116 HydrophobicContact CB-CG 4.44Å; L112-R116 HydrophobicContact CD1-CG 4.42Å; L112-R116 HydrophobicContact CD2-CG 4.33Å; L112-I117 HydrophobicContact CB-CD1 4.14Å; L112-I117 HydrophobicContact CB-CG1 3.75Å; L112-I117 HydrophobicContact CD1-CG1 4.29Å; L112-L120 HydrophobicContact CD1-CD1 3.77Å
113S95.3Very high95.1Very high78 Ų7850 Ų5055%0.54530%0.302SS..  trans-68152.5171.964.30000111.4G115 R116 I117S113-G115 PolarHBondContact O-N 3.07Å; S113-R116 WeakPolarHBondContact O-CA 3.36Å; S113-R116 WeakPolarHBondContact O-CB 3.47Å; S113-R116 PolarHBondContact O-N 2.85Å; S113-R116 WeakPolarHBondContact OG-CB 3.34Å; S113-R116 PolarHBondContact OG-N 3.31Å; S113-I117 WeakPolarHBondContact O-CG1 3.34Å; S113-I117 PolarHBondContact O-N 2.89Å
114A95.2Very high95.2Very high43 Ų4348 Ų4836%0.35530%0.295SS..Hα-helixtrans-52.7-42.5175.700000112.1R116 I117 K118 F208 E299A114-R116 VanDerWaalsContact C-N 3.33Å; A114-R116 PolarHBondContact O-N 2.89Å; A114-I117 PolarHBondContact O-N 2.95Å; A114-K118 WeakPolarHBondContact O-CB 3.43Å; A114-K118 PolarHBondContact O-N 3.35Å; A114-F208 HydrophobicContact CB-CE1 4.5Å; A114-E299 WeakPolarHBondContact CB-OE1 3.35Å
115G95.9Very high95.4Very high21 Ų2147.5 Ų47.522%0.21629%0.292CS..Hα-helixtrans-62.6-37.1176.100000113.5S113 D119 E299S113-G115 PolarHBondContact O-N 3.07Å; G115-D119 WeakPolarHBondContact O-CB 3.41Å; G115-D119 PolarHBondContact O-N 2.97Å; G115-E299 VanDerWaalsContact CA-CD 3.45Å; G115-E299 WeakPolarHBondContact CA-OE1 3.14Å; G115-E299 VanDerWaalsContact CA-OE2 3.23Å; G115-E299 WeakPolarHBondContact CA-OE2 3.23Å; G115-E299 PolarHBondContact N-OE1 2.97Å; G115-E299 PolarHBondContact N-OE2 3.12Å
116R96.6Very high95.6Very high90 Ų9045.3 Ų45.334%0.3427%0.271SS..Hα-helixtrans-68.1-43.3174.2-179.25865.4179.26.1111.1L112 S113 A114 D119 L120L112-R116 HydrophobicContact CB-CG 4.44Å; L112-R116 HydrophobicContact CD1-CG 4.42Å; L112-R116 HydrophobicContact CD2-CG 4.33Å; S113-R116 WeakPolarHBondContact O-CA 3.36Å; S113-R116 WeakPolarHBondContact O-CB 3.47Å; S113-R116 PolarHBondContact O-N 2.85Å; S113-R116 WeakPolarHBondContact OG-CB 3.34Å; S113-R116 PolarHBondContact OG-N 3.31Å; A114-R116 VanDerWaalsContact C-N 3.33Å; A114-R116 PolarHBondContact O-N 2.89Å; R116-D119 IonicContact NH1-OD2 2.66Å; R116-D119 PolarHBondContact O-N 3.35Å; R116-L120 HydrophobicContact CG-CD1 4.19Å; R116-L120 HydrophobicContact CG-CG 4.46Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.2Å
117I97.9Very high95.7Very high0 Ų038.7 Ų38.70%024%0.242CC..Hα-helixtrans-63.1-43.7177.2-62.3172.4000110.5L112 S113 A114 D119 L120 M121 F204 M207 F208L112-I117 HydrophobicContact CB-CD1 4.14Å; L112-I117 HydrophobicContact CB-CG1 3.75Å; L112-I117 HydrophobicContact CD1-CG1 4.29Å; S113-I117 WeakPolarHBondContact O-CG1 3.34Å; S113-I117 PolarHBondContact O-N 2.89Å; A114-I117 PolarHBondContact O-N 2.95Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 2.88Å; I117-L120 PolarHBondContact O-N 3.02Å; I117-M121 HydrophobicContact CG2-CG 4.43Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 WeakPolarHBondContact O-CG 3.46Å; I117-M121 PolarHBondContact O-N 2.76Å; I117-F204 HydrophobicContact CG2-CD2 4.03Å; I117-F204 HydrophobicContact CG2-CE2 3.9Å; I117-M207 HydrophobicContact CD1-CB 4.26Å; I117-M207 WeakPolarHBondContact CD1-O 3.49Å; I117-M207 HydrophobicContact CG1-CB 4.1Å; I117-M207 HydrophobicContact CG2-CB 3.8Å; I117-M207 HydrophobicContact CG2-CE 4.19Å; I117-M207 HydrophobicContact CG2-SD 4.31Å; I117-F208 HydrophobicContact CB-CZ 4.33Å; I117-F208 HydrophobicContact CD1-CB 4.42Å; I117-F208 HydrophobicContact CD1-CD1 3.45Å; I117-F208 VanDerWaalsContact CD1-CD1 3.45Å; I117-F208 HydrophobicContact CD1-CD2 4.18Å; I117-F208 HydrophobicContact CD1-CE1 3.62Å; I117-F208 HydrophobicContact CD1-CE2 4.33Å; I117-F208 HydrophobicContact CD1-CG 3.75Å; I117-F208 HydrophobicContact CD1-CZ 4.06Å; I117-F208 HydrophobicContact CG2-CD2 4.2Å; I117-F208 HydrophobicContact CG2-CE2 3.74Å; I117-F208 HydrophobicContact CG2-CZ 3.92Å
118K98.1Very high96Very high24 Ų2437.8 Ų37.810%0.10424%0.235CC..Hα-helixtrans-57-46.3174.7-175.6-174.6-67.7-176.20111.3A114 M121 R122 Y294 F295 E297A114-K118 WeakPolarHBondContact O-CB 3.43Å; A114-K118 PolarHBondContact O-N 3.35Å; K118-M121 PolarHBondContact O-N 3.28Å; K118-R122 WeakPolarHBondContact O-CB 3.39Å; K118-R122 PolarHBondContact O-N 3.22Å; K118-Y294 HydrophobicContact CB-CE1 4.02Å; K118-Y294 WeakPolarHBondContact CD-O 3.44Å; K118-Y294 WeakPolarHBondContact CE-O 3.39Å; K118-Y294 HydrophobicContact CG-CD1 4.32Å; K118-Y294 HydrophobicContact CG-CE1 3.78Å; K118-Y294 PolarHBondContact NZ-O 3.26Å; K118-F295 HydrophobicContact CG-CD1 3.92Å; K118-F295 HydrophobicContact CG-CE1 4.23Å; K118-F295 WeakPolarHBondContact O-CE1 3.14Å; K118-E297 PolarHBondContact NZ-O 3.42Å
119D98Very high96.4Very high37 Ų3733.8 Ų33.820%0.19821%0.21CC..Hα-helixtrans-64.9-47.2178.2-176.661.7000112.7G115 R116 I117 M121 R122 Q123G115-D119 WeakPolarHBondContact O-CB 3.41Å; G115-D119 PolarHBondContact O-N 2.97Å; R116-D119 IonicContact NH1-OD2 2.66Å; R116-D119 PolarHBondContact O-N 3.35Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 2.88Å; D119-M121 VanDerWaalsContact C-N 3.32Å; D119-M121 PolarHBondContact O-N 3.31Å; D119-R122 PolarHBondContact O-N 3.4Å; D119-R122 IonicContact OD1-CZ 3.38Å; D119-R122 IonicContact OD1-NE 2.97Å; D119-R122 IonicContact OD1-NH2 2.91Å; D119-R122 PolarHBondContact OD1-NH2 3.26Å; D119-Q123 WeakPolarHBondContact O-CG 3.19Å; D119-Q123 PolarHBondContact O-N 2.9Å; D119-Q123 PolarHBondContact OD2-NE2 2.79Å
120L98.4Very high96.9Very high3 Ų331.7 Ų31.72%0.01618%0.181CC..Hα-helixtrans-59.3-43.5176.4-67.2173.7000111.5L100 Y103 L112 R116 I117 Q123 L124 V148 V154 M207L100-L120 HydrophobicContact CD1-CD1 4.34Å; Y103-L120 HydrophobicContact CD1-CD1 4.41Å; Y103-L120 HydrophobicContact CE1-CD1 3.94Å; L112-L120 HydrophobicContact CD1-CD1 3.77Å; R116-L120 HydrophobicContact CG-CD1 4.19Å; R116-L120 HydrophobicContact CG-CG 4.46Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.2Å; I117-L120 PolarHBondContact O-N 3.02Å; L120-Q123 PolarHBondContact O-N 3.33Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 PolarHBondContact O-N 2.91Å; L120-V148 HydrophobicContact CD2-CG1 4.43Å; L120-V154 HydrophobicContact CB-CG2 4.18Å; L120-V154 HydrophobicContact CD2-CG2 3.45Å; L120-V154 VanDerWaalsContact CD2-CG2 3.45Å; L120-V154 HydrophobicContact CG-CG2 4.41Å; L120-M207 HydrophobicContact CB-SD 3.97Å; L120-M207 HydrophobicContact CD1-SD 3.98Å
121M98.6Very high97.2Very high0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-62.4-43.4176.8-83.3-56.5-62.600113I117 K118 D119 Q123 L124 L125 T200 F204 M207 M275 F295I117-M121 HydrophobicContact CG2-CG 4.43Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 WeakPolarHBondContact O-CG 3.46Å; I117-M121 PolarHBondContact O-N 2.76Å; K118-M121 PolarHBondContact O-N 3.28Å; D119-M121 VanDerWaalsContact C-N 3.32Å; D119-M121 PolarHBondContact O-N 3.31Å; M121-Q123 VanDerWaalsContact C-N 3.34Å; M121-L124 PolarHBondContact O-N 2.86Å; M121-L124 HydrophobicContact SD-CD2 4.19Å; M121-L125 HydrophobicContact CE-CD1 4.39Å; M121-L125 HydrophobicContact CE-CG 4.42Å; M121-L125 WeakPolarHBondContact O-CB 3.48Å; M121-L125 WeakPolarHBondContact O-CG 3.36Å; M121-L125 PolarHBondContact O-N 2.88Å; M121-T200 HydrophobicContact CE-CG2 3.77Å; M121-F204 HydrophobicContact CE-CB 3.65Å; M121-F204 HydrophobicContact CE-CD1 4.08Å; M121-F204 HydrophobicContact CE-CD2 4.14Å; M121-F204 HydrophobicContact CE-CG 3.71Å; M121-F204 HydrophobicContact CG-CB 4.36Å; M121-F204 HydrophobicContact CG-CD2 3.29Å; M121-F204 HydrophobicContact CG-CE2 3.65Å; M121-F204 HydrophobicContact CG-CG 3.89Å; M121-F204 HydrophobicContact SD-CB 3.51Å; M121-F204 VanDerWaalsContact SD-CB 3.51Å; M121-F204 HydrophobicContact SD-CD2 3.67Å; M121-F204 HydrophobicContact SD-CG 3.69Å; M121-M207 HydrophobicContact CG-CE 3.38Å; M121-M207 HydrophobicContact SD-CE 3.14Å; M121-M207 WeakPolarHBondContact SD-CE 3.39Å; M121-M275 HydrophobicContact CE-CE 3.88Å; M121-M275 HydrophobicContact CE-SD 4.17Å; M121-F295 HydrophobicContact CB-CE1 4Å; M121-F295 HydrophobicContact CB-CZ 4.03Å
122R98.6Very high97.2Very high122 Ų12227.6 Ų27.646%0.4615%0.149SC..Hα-helixtrans-60.4-47.8177.3-177.717758.1173.3-2.5110.4K118 D119 L124 L125 C126 L290 F295K118-R122 WeakPolarHBondContact O-CB 3.39Å; K118-R122 PolarHBondContact O-N 3.22Å; D119-R122 PolarHBondContact O-N 3.4Å; D119-R122 IonicContact OD1-CZ 3.38Å; D119-R122 IonicContact OD1-NE 2.97Å; D119-R122 IonicContact OD1-NH2 2.91Å; D119-R122 PolarHBondContact OD1-NH2 3.26Å; R122-L124 PolarHBondContact O-N 3Å; R122-L125 PolarHBondContact O-N 3.46Å; R122-C126 PolarHBondContact O-N 3.09Å; R122-C126 PolarHBondContact O-SG 2.91Å; R122-L290 HydrophobicContact CG-CD2 4.1Å; R122-L290 WeakPolarHBondContact O-CD2 3.46Å; R122-F295 HydrophobicContact CB-CD1 3.85Å; R122-F295 HydrophobicContact CB-CE1 3.77Å; R122-F295 HydrophobicContact CG-CD1 4.36Å
123Q98.7Very high97.2Very high25 Ų2530.5 Ų30.512%0.11717%0.172CC..Hα-helixtrans-62.4-42.1177.7-70.1-171.760.100112.6N70 D119 L120 M121 C126 G127 G152 Q153 V154N70-Q123 VanDerWaalsContact CB-O 3.27Å; N70-Q123 WeakPolarHBondContact CB-O 3.36Å; N70-Q123 VanDerWaalsContact CG-O 3.22Å; N70-Q123 WeakPolarHBondContact ND2-CB 3.45Å; N70-Q123 PolarHBondContact ND2-OE1 2.81Å; N70-Q123 PolarHBondContact OD1-O 3.46Å; D119-Q123 WeakPolarHBondContact O-CG 3.19Å; D119-Q123 PolarHBondContact O-N 2.9Å; D119-Q123 PolarHBondContact OD2-NE2 2.79Å; L120-Q123 PolarHBondContact O-N 3.33Å; M121-Q123 VanDerWaalsContact C-N 3.34Å; Q123-C126 WeakPolarHBondContact O-CB 3.4Å; Q123-C126 PolarHBondContact O-N 3Å; Q123-G127 PolarHBondContact O-N 2.98Å; Q123-G152 PolarHBondContact NE2-O 2.81Å; Q123-Q153 VanDerWaalsContact OE1-CA 3.26Å; Q123-V154 HydrophobicContact CB-CB 3.82Å; Q123-V154 HydrophobicContact CB-CG2 4.02Å
124L98.6Very high96.9Very high3 Ų328.7 Ų28.72%0.01616%0.156CC..Hα-helixtrans-59.5-47.6175.6179.761.1000111.5L120 M121 R122 G127 L128 I146 V154 L156 T200 I203L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 PolarHBondContact O-N 2.91Å; M121-L124 PolarHBondContact O-N 2.86Å; M121-L124 HydrophobicContact SD-CD2 4.19Å; R122-L124 PolarHBondContact O-N 3Å; L124-G127 PolarHBondContact O-N 3.5Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 3.07Å; L124-I146 HydrophobicContact CD1-CD1 3.7Å; L124-I146 HydrophobicContact CD1-CG1 4.03Å; L124-I146 HydrophobicContact CD1-CG2 4.34Å; L124-I146 HydrophobicContact CD2-CD1 3.91Å; L124-I146 HydrophobicContact CG-CD1 4.49Å; L124-V154 HydrophobicContact CB-CG1 4.34Å; L124-V154 HydrophobicContact CD1-CG1 4.35Å; L124-L156 HydrophobicContact CD1-CD2 3.33Å; L124-L156 HydrophobicContact CD1-CG 4.22Å; L124-T200 HydrophobicContact CD2-CG2 3.82Å; L124-T200 HydrophobicContact CG-CG2 4.29Å; L124-I203 HydrophobicContact CD2-CG2 4.35Å
125L98.8Very high96.6Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-66.8-35.2177.5-72.3170.5000112.8M121 R122 L128 A129 T200 M275 A286 A289 L290 F295M121-L125 HydrophobicContact CE-CD1 4.39Å; M121-L125 HydrophobicContact CE-CG 4.42Å; M121-L125 WeakPolarHBondContact O-CB 3.48Å; M121-L125 WeakPolarHBondContact O-CG 3.36Å; M121-L125 PolarHBondContact O-N 2.88Å; R122-L125 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.42Å; L125-A129 VanDerWaalsContact O-CB 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 2.97Å; L125-T200 HydrophobicContact CD2-CG2 4.04Å; L125-M275 HydrophobicContact CD1-CE 3.8Å; L125-M275 HydrophobicContact CD2-CE 3.79Å; L125-M275 HydrophobicContact CG-CE 4.27Å; L125-A286 HydrophobicContact CD2-CB 4.39Å; L125-A289 HydrophobicContact CD1-CB 3.83Å; L125-A289 HydrophobicContact CD2-CB 4.04Å; L125-L290 HydrophobicContact CB-CD1 4.46Å; L125-L290 HydrophobicContact CB-CD2 3.6Å; L125-L290 HydrophobicContact CB-CG 3.82Å; L125-L290 HydrophobicContact CD1-CD2 4.44Å; L125-F295 HydrophobicContact CD1-CE2 3.55Å; L125-F295 HydrophobicContact CD1-CZ 3.57Å
126C98.5Very high96.2Very high41 Ų4134.1 Ų34.128%0.27717%0.168SC..Hα-helixtrans-59.3-49.7172.6-73.30000111.2R122 Q123 L128 A129 F130R122-C126 PolarHBondContact O-N 3.09Å; R122-C126 PolarHBondContact O-SG 2.91Å; Q123-C126 WeakPolarHBondContact O-CB 3.4Å; Q123-C126 PolarHBondContact O-N 3Å; C126-L128 VanDerWaalsContact C-N 3.31Å; C126-L128 PolarHBondContact O-N 3.25Å; C126-A129 PolarHBondContact O-N 3.39Å; C126-F130 PolarHBondContact O-N 3.32Å; C126-F130 VanDerWaalsContact O-N 3.08Å
127G98Very high95.8Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-59.3-43.4175.600000112Q123 L124 F130 L131 L156Q123-G127 PolarHBondContact O-N 2.98Å; L124-G127 PolarHBondContact O-N 3.5Å; G127-F130 WeakPolarHBondContact O-CB 3.37Å; G127-F130 PolarHBondContact O-N 2.96Å; G127-L131 WeakPolarHBondContact O-CG 3.31Å; G127-L131 PolarHBondContact O-N 2.91Å; G127-L156 VanDerWaalsContact C-CD1 3.47Å
128L97.9Very high95.4Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-69.4-41.1-178-170.658.6000112.6L124 L125 C126 F130 L131 H132 L141 L156 D196 I197 T200 A286L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 PolarHBondContact O-N 3.07Å; L125-L128 PolarHBondContact O-N 3.42Å; C126-L128 VanDerWaalsContact C-N 3.31Å; C126-L128 PolarHBondContact O-N 3.25Å; L128-F130 VanDerWaalsContact C-N 3.28Å; L128-F130 PolarHBondContact O-N 3.42Å; L128-L131 PolarHBondContact O-N 3.29Å; L128-H132 WeakPolarHBondContact CD1-NE2 3.07Å; L128-H132 WeakPolarHBondContact O-CB 3.45Å; L128-H132 PolarHBondContact O-N 2.82Å; L128-L141 HydrophobicContact CD1-CD1 4.14Å; L128-L141 HydrophobicContact CD2-CD1 4.16Å; L128-L156 HydrophobicContact CB-CD1 4.29Å; L128-D196 HydrophobicContact CD1-CB 3.78Å; L128-D196 HydrophobicContact CD2-CB 3.97Å; L128-D196 HydrophobicContact CG-CB 4.41Å; L128-I197 HydrophobicContact CD2-CD1 3.81Å; L128-T200 WeakPolarHBondContact CD2-OG1 3.41Å; L128-A286 HydrophobicContact CB-CB 4.31Å; L128-A286 HydrophobicContact CD2-CB 4.41Å; L128-A286 HydrophobicContact CG-CB 4.22Å
129A97.9Very high95Very high17 Ų1734 Ų3414%0.1417%0.17CC..Hα-helixtrans-59.4-41.6174.300000111.2L125 C126 H132 S133 A286 L290L125-A129 VanDerWaalsContact O-CB 3.24Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 2.97Å; C126-A129 PolarHBondContact O-N 3.39Å; A129-H132 PolarHBondContact O-N 3.24Å; A129-S133 WeakPolarHBondContact O-CB 3.47Å; A129-S133 PolarHBondContact O-N 2.81Å; A129-S133 PolarHBondContact O-OG 3.2Å; A129-A286 HydrophobicContact CB-CB 3.89Å; A129-L290 HydrophobicContact CB-CD1 4.08Å
130F96.8Very high94.5Very high24 Ų2433.5 Ų33.511%0.10517%0.167CC..Hα-helixtrans-62.8-43.6174168.3-93.6000112.7M63 F66 H68 V71 C126 G127 L128 S133 N134M63-F130 HydrophobicContact CE-CE1 4.07Å; F66-F130 HydrophobicContact CB-CE2 3.59Å; F66-F130 HydrophobicContact CB-CZ 3.52Å; F66-F130 HydrophobicContact CD1-CE2 4.02Å; F66-F130 HydrophobicContact CD1-CZ 4.48Å; F66-F130 HydrophobicContact CD2-CE2 4.24Å; F66-F130 AromaticContact CD2-CZ 3.9Å; F66-F130 HydrophobicContact CD2-CZ 3.9Å; F66-F130 AromaticContact CG-CE2 3.7Å; F66-F130 HydrophobicContact CG-CE2 3.7Å; F66-F130 AromaticContact CG-CZ 3.73Å; F66-F130 HydrophobicContact CG-CZ 3.73Å; H68-F130 HydrophobicContact CB-CD1 3.98Å; H68-F130 HydrophobicContact CB-CD2 4.23Å; H68-F130 HydrophobicContact CB-CE1 4.01Å; H68-F130 HydrophobicContact CB-CE2 4.26Å; H68-F130 HydrophobicContact CB-CG 4.08Å; H68-F130 HydrophobicContact CB-CZ 4.16Å; H68-F130 AromaticContact CD2-CD2 3.7Å; H68-F130 AromaticContact CD2-CG 3.6Å; H68-F130 AromaticContact CG-CD1 3.99Å; H68-F130 AromaticContact CG-CG 3.76Å; V71-F130 HydrophobicContact CG2-CD1 3.75Å; V71-F130 HydrophobicContact CG2-CE1 4.21Å; C126-F130 PolarHBondContact O-N 3.32Å; C126-F130 VanDerWaalsContact O-N 3.08Å; G127-F130 WeakPolarHBondContact O-CB 3.37Å; G127-F130 PolarHBondContact O-N 2.96Å; L128-F130 VanDerWaalsContact C-N 3.28Å; L128-F130 PolarHBondContact O-N 3.42Å; F130-S133 PolarHBondContact O-OG 3.35Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.46Å; F130-N134 PolarHBondContact O-N 3.42Å; F130-N134 PolarHBondContact O-ND2 3.44Å
131L94.6Very high94.3Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-61.2-47.8175.5-67.2-178000110.7M63 V71 G127 L128 S133 N134 H135 V136 L156 F159M63-L131 HydrophobicContact CE-CD2 3.52Å; M63-L131 HydrophobicContact SD-CD2 3.89Å; V71-L131 HydrophobicContact CG1-CD2 4.24Å; V71-L131 HydrophobicContact CG2-CD2 4.17Å; V71-L131 HydrophobicContact CG2-CG 4.36Å; G127-L131 WeakPolarHBondContact O-CG 3.31Å; G127-L131 PolarHBondContact O-N 2.91Å; L128-L131 PolarHBondContact O-N 3.29Å; L131-S133 PolarHBondContact O-N 2.72Å; L131-N134 CarbonylContact O-C 3.59Å; L131-N134 PolarHBondContact O-N 3.22Å; L131-N134 VanDerWaalsContact O-N 3.11Å; L131-H135 PolarHBondContact O-N 3.29Å; L131-V136 CarbonylContact C-O 3.43Å; L131-V136 VanDerWaalsContact C-O 3.3Å; L131-V136 HydrophobicContact CB-CB 4.24Å; L131-V136 HydrophobicContact CB-CG1 4.39Å; L131-V136 HydrophobicContact CD2-CB 4.43Å; L131-V136 HydrophobicContact CD2-CG1 4.16Å; L131-V136 PolarHBondContact O-N 3.48Å; L131-L156 HydrophobicContact CD1-CD1 3.68Å; L131-L156 HydrophobicContact CG-CD1 4.35Å; L131-F159 HydrophobicContact CD1-CB 3.85Å; L131-F159 HydrophobicContact CD1-CD2 4.47Å; L131-F159 HydrophobicContact CD1-CG 4.05Å; L131-F159 HydrophobicContact CD2-CD2 3.72Å; L131-F159 HydrophobicContact CD2-CE2 3.93Å; L131-F159 HydrophobicContact CD2-CG 4.04Å; L131-F159 HydrophobicContact CD2-CZ 4.45Å
132H94.3Very high94.1Very high30 Ų3034.6 Ų34.614%0.13917%0.172CC..Hα-helixtrans-63.9-39.6-178.5-70.9-174.7000112.5L128 A129 N134 H135 V136 T193 D196L128-H132 WeakPolarHBondContact CD1-NE2 3.07Å; L128-H132 WeakPolarHBondContact O-CB 3.45Å; L128-H132 PolarHBondContact O-N 2.82Å; A129-H132 PolarHBondContact O-N 3.24Å; H132-N134 PolarHBondContact O-N 3.21Å; H132-H135 PolarHBondContact O-N 2.89Å; H132-H135 VanDerWaalsContact O-N 3.09Å; H132-V136 PolarHBondContact CD2-O 2.91Å; H132-T193 HydrophobicContact CB-CG2 4.38Å; H132-T193 PolarHBondContact CE1-O 3.18Å; H132-T193 VanDerWaalsContact CE1-O 3.3Å; H132-D196 IonicContact CD2-OD2 2.72Å; H132-D196 IonicContact CE1-OD2 3.78Å; H132-D196 IonicContact NE2-OD2 3.53Å; H132-D196 PolarHBondContact NE2-OD2 2.99Å
133S94.1Very high94Very high82 Ų8228.9 Ų28.957%0.57315%0.15SC*.Hα-helixtrans-66.2-21.9176.167.50000113.2A129 F130 L131A129-S133 WeakPolarHBondContact O-CB 3.47Å; A129-S133 PolarHBondContact O-N 2.81Å; A129-S133 PolarHBondContact O-OG 3.2Å; F130-S133 PolarHBondContact O-OG 3.35Å; L131-S133 PolarHBondContact O-N 2.72Å
134N90.3Very high93.7Very high40 Ų4030.3 Ų30.321%0.21416%0.157CC..THydrogen-bonded Turntrans-100.218.7175.7-71.9-81.7000112.6M63 F130 L131 H132 V136M63-N134 HydrophobicContact CE-CB 3.69Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.46Å; F130-N134 PolarHBondContact O-N 3.42Å; F130-N134 PolarHBondContact O-ND2 3.44Å; L131-N134 CarbonylContact O-C 3.59Å; L131-N134 PolarHBondContact O-N 3.22Å; L131-N134 VanDerWaalsContact O-N 3.11Å; H132-N134 PolarHBondContact O-N 3.21Å; N134-V136 PolarHBondContact O-N 3.32Å
135H87.4Confident93.5Very high173 Ų17330.6 Ų30.680%0.80116%0.159SC*.THydrogen-bonded Turntrans59.229.3178.8-51.5-62.6000114.4L131 H132L131-H135 PolarHBondContact O-N 3.29Å; H132-H135 PolarHBondContact O-N 2.89Å; H132-H135 VanDerWaalsContact O-N 3.09Å
136V87.8Confident93.4Very high6 Ų630.7 Ų30.74%0.03616%0.159CC..  trans-105124.1174.81760000109.8L59 M63 L131 H132 N134 F159L59-V136 HydrophobicContact CD1-CG2 4.32Å; L59-V136 HydrophobicContact CD2-CG2 3.49Å; L59-V136 VanDerWaalsContact CD2-CG2 3.49Å; L59-V136 HydrophobicContact CG-CG2 3.91Å; M63-V136 HydrophobicContact CE-CB 3.69Å; M63-V136 HydrophobicContact CE-CG1 4.28Å; M63-V136 HydrophobicContact CE-CG2 3.3Å; M63-V136 HydrophobicContact SD-CB 4.47Å; M63-V136 HydrophobicContact SD-CG2 3.88Å; L131-V136 CarbonylContact C-O 3.43Å; L131-V136 VanDerWaalsContact C-O 3.3Å; L131-V136 HydrophobicContact CB-CB 4.24Å; L131-V136 HydrophobicContact CB-CG1 4.39Å; L131-V136 HydrophobicContact CD2-CB 4.43Å; L131-V136 HydrophobicContact CD2-CG1 4.16Å; L131-V136 PolarHBondContact O-N 3.48Å; H132-V136 PolarHBondContact CD2-O 2.91Å; N134-V136 PolarHBondContact O-N 3.32Å; V136-F159 HydrophobicContact CG1-CD2 4.05Å
137M87.8Confident93.3Very high44 Ų4430.2 Ų30.222%0.21715%0.154CC..  trans-96.3138.1167.2-69.6175.6-91.200109.1R139 T193 D196M137-R139 HydrophobicContact CB-CG 3.94Å; M137-T193 HydrophobicContact CG-CG2 3.69Å; M137-D196 WeakPolarHBondContact CA-OD2 3.38Å
138H91.3Very high93.2Very high1 Ų130.2 Ų30.21%0.00515%0.154CC..  trans-75.8-47.1178.3-169.7-63000111.8D140 L141 A157 F159 D196H138-D140 PolarHBondContact CE1-O 2.73Å; H138-D140 VanDerWaalsContact CE1-O 3.25Å; H138-D140 VanDerWaalsContact ND1-C 3.32Å; H138-D140 PolarHBondContact ND1-N 3.41Å; H138-D140 PolarHBondContact O-N 3.4Å; H138-L141 HydrophobicContact CB-CD1 4.31Å; H138-L141 HydrophobicContact CB-CD2 4.39Å; H138-L141 HydrophobicContact CB-CG 3.89Å; H138-L141 VanDerWaalsContact CD2-CD2 3.46Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.28Å; H138-L141 PolarHBondContact ND1-N 2.87Å; H138-A157 PolarHBondContact CE1-O 3.28Å; H138-A157 PolarHBondContact NE2-O 3.22Å; H138-F159 HydrophobicContact CB-CB 4.44Å; H138-D196 WeakPolarHBondContact CB-OD1 3.45Å; H138-D196 PolarHBondContact N-OD1 3.48Å; H138-D196 PolarHBondContact N-OD2 3.2Å
139R88.1Confident93.1Very high67 Ų6731.2 Ų31.225%0.25316%0.16SC..  trans67.3-21.5177.8-56179.8-178.2134.28.6117.6M137 A162 D196M137-R139 HydrophobicContact CB-CG 3.94Å; R139-A162 HydrophobicContact CB-CB 4.21Å; R139-D196 PolarHBondContact N-OD1 3.19Å
140D88.1Confident92.7Very high26 Ų2635 Ų3514%0.13919%0.185CC..  trans-127.547.7177.4-169.944.8000111.9Y20 H138 K142 N145Y20-D140 WeakPolarHBondContact CE2-OD2 3.03Å; Y20-D140 PolarHBondContact OH-OD2 2.84Å; Y20-D140 VanDerWaalsContact OH-OD2 3.14Å; H138-D140 PolarHBondContact CE1-O 2.73Å; H138-D140 VanDerWaalsContact CE1-O 3.25Å; H138-D140 VanDerWaalsContact ND1-C 3.32Å; H138-D140 PolarHBondContact ND1-N 3.41Å; H138-D140 PolarHBondContact O-N 3.4Å; D140-K142 PolarHBondContact O-N 3.42Å; D140-K142 IonicContact OD1-NZ 3.91Å; D140-K142 PolarHBondContact OD1-NZ 3.31Å; D140-K142 WeakPolarHBondContact OD2-CE 3.16Å; D140-K142 IonicContact OD2-NZ 2.82Å; D140-K142 PolarHBondContact OD2-NZ 3.3Å; D140-N145 PolarHBondContact O-ND2 3Å; D140-N145 PolarHBondContact OD2-ND2 3.36Å
141L94.1Very high92.5Very high2 Ų242.1 Ų42.11%0.0122%0.219CC..  trans-71.6123.8175.8-83.1174000110.5L128 H138 I146 L156 Y180 D196 T200 I203L128-L141 HydrophobicContact CD1-CD1 4.14Å; L128-L141 HydrophobicContact CD2-CD1 4.16Å; H138-L141 HydrophobicContact CB-CD1 4.31Å; H138-L141 HydrophobicContact CB-CD2 4.39Å; H138-L141 HydrophobicContact CB-CG 3.89Å; H138-L141 VanDerWaalsContact CD2-CD2 3.46Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.28Å; H138-L141 PolarHBondContact ND1-N 2.87Å; L141-I146 HydrophobicContact CD2-CG1 4.44Å; L141-L156 HydrophobicContact CD2-CD2 3.62Å; L141-Y180 WeakPolarHBondContact O-CB 3.46Å; L141-D196 HydrophobicContact CD1-CB 3.75Å; L141-D196 WeakPolarHBondContact CD1-O 3.36Å; L141-T200 WeakPolarHBondContact CD1-OG1 3.31Å; L141-I203 HydrophobicContact CB-CD1 4.23Å
142K94.4Very high92.4Very high24 Ų2442.3 Ų42.310%0.10422%0.221CC..SBendtrans-159.6161.6175.360.7-172.4-179.7-136.50109.2D140 E144 N145 I146 Y180D140-K142 PolarHBondContact O-N 3.42Å; D140-K142 IonicContact OD1-NZ 3.91Å; D140-K142 PolarHBondContact OD1-NZ 3.31Å; D140-K142 WeakPolarHBondContact OD2-CE 3.16Å; D140-K142 IonicContact OD2-NZ 2.82Å; D140-K142 PolarHBondContact OD2-NZ 3.3Å; K142-E144 HydrophobicContact CD-CB 4.47Å; K142-E144 HydrophobicContact CG-CB 4.23Å; K142-E144 WeakPolarHBondContact CG-OE2 3.14Å; K142-E144 PolarHBondContact O-N 2.85Å; K142-E144 VanDerWaalsContact O-N 3.1Å; K142-N145 HydrophobicContact CG-CB 4.28Å; K142-N145 PolarHBondContact O-N 2.79Å; K142-I146 PolarHBondContact O-N 2.7Å; K142-Y180 HydrophobicContact CB-CD2 3.59Å; K142-Y180 HydrophobicContact CB-CE2 3.64Å; K142-Y180 HydrophobicContact CB-CG 4.19Å
143P96.3Very high92.6Very high1 Ų144 Ų441%0.00623%0.229CC..G310 helixtrans-54.2-30.4-179-29.338000114.5L100 K101 N145 I146 Y180 I203L100-P143 HydrophobicContact CB-CB 4.29Å; L100-P143 WeakPolarHBondContact CB-O 3.32Å; L100-P143 HydrophobicContact CG-CB 4.47Å; L100-P143 PolarHBondContact N-O 2.84Å; K101-P143 HydrophobicContact CB-CB 3.9Å; K101-P143 PolarHBondContact N-O 3.28Å; P143-N145 VanDerWaalsContact C-N 3.29Å; P143-N145 PolarHBondContact O-N 2.87Å; P143-I146 PolarHBondContact O-N 2.98Å; P143-Y180 WeakPolarHBondContact CD-OH 3.4Å; P143-Y180 HydrophobicContact CG-CE1 4.16Å; P143-Y180 WeakPolarHBondContact CG-OH 3.16Å; P143-I203 HydrophobicContact CG-CG1 4.35Å
144E92.8Very high92.7Very high55 Ų5540.2 Ų40.226%0.25720%0.202SC..G310 helixtrans-67.7-24.9176-63.189.5162.800113.8K101 K142K101-E144 HydrophobicContact CD-CG 3.8Å; K101-E144 VanDerWaalsContact CD-OE1 3.31Å; K101-E144 WeakPolarHBondContact CD-OE1 3.44Å; K101-E144 IonicContact NZ-OE1 3.85Å; K101-E144 PolarHBondContact NZ-OE1 3.35Å; K142-E144 HydrophobicContact CD-CB 4.47Å; K142-E144 HydrophobicContact CG-CB 4.23Å; K142-E144 WeakPolarHBondContact CG-OE2 3.14Å; K142-E144 PolarHBondContact O-N 2.85Å; K142-E144 VanDerWaalsContact O-N 3.1Å
145N93.5Very high93.1Very high10 Ų1039 Ų395%0.05320%0.195CC..G310 helixtrans-100.35.6-178.8-66.6-7000112.7D140 K142 P143 A157D140-N145 PolarHBondContact O-ND2 3Å; D140-N145 PolarHBondContact OD2-ND2 3.36Å; K142-N145 HydrophobicContact CG-CB 4.28Å; K142-N145 PolarHBondContact O-N 2.79Å; P143-N145 VanDerWaalsContact C-N 3.29Å; P143-N145 PolarHBondContact O-N 2.87Å; N145-A157 PolarHBondContact O-N 3.27Å
146I96.8Very high93.5Very high2 Ų230.7 Ų30.71%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-109.5111.6174.5-61.3171.6000107D99 L100 L124 L141 K142 P143 V154 L156 I203D99-I146 CarbonylContact C-O 3.59Å; D99-I146 WeakPolarHBondContact CA-O 3.35Å; L100-I146 HydrophobicContact CB-CB 3.95Å; L100-I146 HydrophobicContact CB-CG2 4.06Å; L100-I146 WeakPolarHBondContact CB-O 3.19Å; L100-I146 HydrophobicContact CD2-CB 4.27Å; L100-I146 HydrophobicContact CD2-CD1 4.01Å; L100-I146 HydrophobicContact CD2-CG2 4.15Å; L100-I146 PolarHBondContact N-O 2.83Å; L124-I146 HydrophobicContact CD1-CD1 3.7Å; L124-I146 HydrophobicContact CD1-CG1 4.03Å; L124-I146 HydrophobicContact CD1-CG2 4.34Å; L124-I146 HydrophobicContact CD2-CD1 3.91Å; L124-I146 HydrophobicContact CG-CD1 4.49Å; L141-I146 HydrophobicContact CD2-CG1 4.44Å; K142-I146 PolarHBondContact O-N 2.7Å; P143-I146 PolarHBondContact O-N 2.98Å; I146-V154 HydrophobicContact CG2-CG1 3.58Å; I146-L156 HydrophobicContact CG1-CD2 4.24Å; I146-I203 HydrophobicContact CD1-CD1 3.55Å; I146-I203 HydrophobicContact CD1-CG1 4.47Å; I146-I203 HydrophobicContact CD1-CG2 3.87Å
147L96.8Very high93.7Very high31 Ų3130.8 Ų30.816%0.16216%0.158CC..EExtended strand (participates in β ladder)trans-90.1144.2-179.2-52-179.8000110.4V72 V96 Q98 D99 V154 K155 A157V72-L147 HydrophobicContact CG2-CD1 4.36Å; V96-L147 HydrophobicContact CB-CB 3.8Å; V96-L147 HydrophobicContact CB-CD1 3.87Å; V96-L147 HydrophobicContact CB-CG 4.4Å; V96-L147 HydrophobicContact CG1-CB 3.73Å; V96-L147 HydrophobicContact CG2-CB 4.1Å; V96-L147 HydrophobicContact CG2-CD1 3.9Å; Q98-L147 WeakPolarHBondContact O-CA 3.47Å; D99-L147 HydrophobicContact CB-CD2 4.17Å; L147-V154 CarbonylContact O-C 3.55Å; L147-V154 WeakPolarHBondContact O-CA 3.32Å; L147-K155 HydrophobicContact CB-CB 4.34Å; L147-K155 PolarHBondContact N-O 3.16Å; L147-K155 PolarHBondContact O-N 2.85Å; L147-A157 HydrophobicContact CD1-CB 3.69Å; L147-A157 HydrophobicContact CD2-CB 4.49Å; L147-A157 HydrophobicContact CG-CB 3.81Å
148V96.9Very high93.6Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-127.5117.8179.4-173.20000109.2Q98 L100 Y103 L120 Q153Q98-V148 VanDerWaalsContact CG-O 3.26Å; Q98-V148 WeakPolarHBondContact CG-O 3.42Å; Q98-V148 PolarHBondContact O-N 3.41Å; L100-V148 HydrophobicContact CB-CG2 4.14Å; L100-V148 HydrophobicContact CD1-CG2 3.99Å; Y103-V148 HydrophobicContact CD1-CG1 4.47Å; Y103-V148 HydrophobicContact CD2-CB 4.23Å; Y103-V148 HydrophobicContact CD2-CG1 3.78Å; Y103-V148 HydrophobicContact CE2-CG1 3.9Å; Y103-V148 HydrophobicContact CG-CB 4.26Å; Y103-V148 HydrophobicContact CG-CG1 4.08Å; Y103-V148 HydrophobicContact CG-CG2 4.35Å; L120-V148 HydrophobicContact CD2-CG1 4.43Å; V148-Q153 WeakPolarHBondContact CA-O 3.15Å
149T95.1Very high93Very high21 Ų2130.8 Ų30.813%0.12916%0.159CC..  trans-69.6163.4176.874.10000111.1V96 Q151 G152 Q153V96-T149 HydrophobicContact CG1-CG2 3.93Å; T149-Q151 PolarHBondContact O-N 3.03Å; T149-Q151 VanDerWaalsContact O-N 3.12Å; T149-Q151 PolarHBondContact OG1-N 2.84Å; T149-G152 PolarHBondContact O-N 3.35Å; T149-G152 PolarHBondContact OG1-N 2.99Å; T149-Q153 HydrophobicContact CG2-CB 3.95Å; T149-Q153 PolarHBondContact N-O 2.85Å; T149-Q153 WeakPolarHBondContact OG1-CB 3.36Å; T149-Q153 PolarHBondContact OG1-N 2.93Å
150S90.5Very high92Very high96 Ų9628.1 Ų28.167%0.67115%0.152SC*.THydrogen-bonded Turntrans-57.9-22.1171.952.50000113.8G152S150-G152 VanDerWaalsContact C-N 3.34Å
151Q91.9Very high91Very high173 Ų17326.9 Ų26.981%0.80815%0.145SC*.THydrogen-bonded Turntrans-88.1-0.9175.9-61.1178.12.200113.1T149T149-Q151 PolarHBondContact O-N 3.03Å; T149-Q151 VanDerWaalsContact O-N 3.12Å; T149-Q151 PolarHBondContact OG1-N 2.84Å
152G92.8Very high89.5Confident5 Ų528.2 Ų28.25%0.05216%0.156CC..  trans80.421.6-178.100000114.1Q123 T149 S150Q123-G152 PolarHBondContact NE2-O 2.81Å; T149-G152 PolarHBondContact O-N 3.35Å; T149-G152 PolarHBondContact OG1-N 2.99Å; S150-G152 VanDerWaalsContact C-N 3.34Å
153Q97.1Very high87.9Confident66 Ų6632.4 Ų32.431%0.30818%0.175SC..  trans-83.4130.5172.7-171.8178.748.800110.1Q123 V148 T149Q123-Q153 VanDerWaalsContact OE1-CA 3.26Å; V148-Q153 WeakPolarHBondContact CA-O 3.15Å; T149-Q153 HydrophobicContact CG2-CB 3.95Å; T149-Q153 PolarHBondContact N-O 2.85Å; T149-Q153 WeakPolarHBondContact OG1-CB 3.36Å; T149-Q153 PolarHBondContact OG1-N 2.93Å
154V98.1Very high86.1Confident2 Ų232.7 Ų32.71%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-85.4136.7175.3174.50000110N70 L120 Q123 L124 I146 L147N70-V154 WeakPolarHBondContact CA-O 3.32Å; N70-V154 WeakPolarHBondContact CB-O 3.22Å; N70-V154 PolarHBondContact ND2-O 3.09Å; L120-V154 HydrophobicContact CB-CG2 4.18Å; L120-V154 HydrophobicContact CD2-CG2 3.45Å; L120-V154 VanDerWaalsContact CD2-CG2 3.45Å; L120-V154 HydrophobicContact CG-CG2 4.41Å; Q123-V154 HydrophobicContact CB-CB 3.82Å; Q123-V154 HydrophobicContact CB-CG2 4.02Å; L124-V154 HydrophobicContact CB-CG1 4.34Å; L124-V154 HydrophobicContact CD1-CG1 4.35Å; I146-V154 HydrophobicContact CG2-CG1 3.58Å; L147-V154 CarbonylContact O-C 3.55Å; L147-V154 WeakPolarHBondContact O-CA 3.32Å
155K97.4Very high84.5Confident13 Ų1330.2 Ų30.26%0.05716%0.164CC..EExtended strand (participates in β ladder)trans-132.3122.4170.9-76.6175.5170.5-74.10110.7P69 V71 E94 V96 L147P69-K155 WeakPolarHBondContact O-CG 3.26Å; P69-K155 PolarHBondContact O-NZ 2.83Å; V71-K155 PolarHBondContact O-NZ 3.4Å; E94-K155 WeakPolarHBondContact OE1-CD 3.21Å; E94-K155 WeakPolarHBondContact OE1-CE 3.26Å; E94-K155 IonicContact OE1-NZ 3.23Å; E94-K155 PolarHBondContact OE1-NZ 2.98Å; E94-K155 IonicContact OE2-NZ 3.77Å; V96-K155 HydrophobicContact CG2-CD 3.86Å; L147-K155 HydrophobicContact CB-CB 4.34Å; L147-K155 PolarHBondContact N-O 3.16Å; L147-K155 PolarHBondContact O-N 2.85Å
156L96.3Very high82.7Confident0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-69.7127.6171.8-70.5178.2000110.4N70 V72 L124 G127 L128 L131 L141 I146N70-L156 PolarHBondContact O-N 3.15Å; V72-L156 WeakPolarHBondContact CB-O 3.42Å; V72-L156 WeakPolarHBondContact CG1-O 3.35Å; V72-L156 PolarHBondContact N-O 3.41Å; L124-L156 HydrophobicContact CD1-CD2 3.33Å; L124-L156 HydrophobicContact CD1-CG 4.22Å; G127-L156 VanDerWaalsContact C-CD1 3.47Å; L128-L156 HydrophobicContact CB-CD1 4.29Å; L131-L156 HydrophobicContact CD1-CD1 3.68Å; L131-L156 HydrophobicContact CG-CD1 4.35Å; L141-L156 HydrophobicContact CD2-CD2 3.62Å; I146-L156 HydrophobicContact CG1-CD2 4.24Å
157A92Very high80.6Confident8 Ų835.9 Ų35.97%0.06620%0.204CC..  trans-120.6164.917800000111.4V72 H138 N145 L147 F159V72-A157 HydrophobicContact CB-CB 4.38Å; V72-A157 HydrophobicContact CG1-CB 3.98Å; H138-A157 PolarHBondContact CE1-O 3.28Å; H138-A157 PolarHBondContact NE2-O 3.22Å; N145-A157 PolarHBondContact O-N 3.27Å; L147-A157 HydrophobicContact CD1-CB 3.69Å; L147-A157 HydrophobicContact CD2-CB 4.49Å; L147-A157 HydrophobicContact CG-CB 3.81Å; A157-F159 PolarHBondContact O-N 3.23Å
158D84.4Confident78.4Confident37 Ų3736.5 Ų36.520%0.19821%0.206CC..SBendtrans60.213.6175-71.9-4000116.9K38K38-D158 IonicContact NZ-OD1 3.16Å; K38-D158 PolarHBondContact NZ-OD1 2.81Å; K38-D158 IonicContact NZ-OD2 3.8Å; K38-D158 PolarHBondContact NZ-OD2 2.94Å
159F78.8Confident76.1Confident8 Ų839.2 Ų39.24%0.03522%0.219CC..THydrogen-bonded Turntrans-67.215017361.8-88.3000111.9L60 M63 V71 V72 L131 V136 H138 A157 L161L60-F159 HydrophobicContact CD2-CD2 3.46Å; L60-F159 VanDerWaalsContact CD2-CD2 3.46Å; L60-F159 HydrophobicContact CD2-CE2 3.11Å; L60-F159 HydrophobicContact CD2-CG 4.48Å; L60-F159 HydrophobicContact CD2-CZ 3.89Å; L60-F159 WeakPolarHBondContact CD2-O 3.44Å; M63-F159 HydrophobicContact SD-CD2 4.09Å; M63-F159 HydrophobicContact SD-CE2 3.41Å; M63-F159 WeakPolarHBondContact SD-CE2 3.48Å; M63-F159 HydrophobicContact SD-CZ 4.31Å; V71-F159 HydrophobicContact CG1-CD1 4.07Å; V71-F159 HydrophobicContact CG1-CE1 3.19Å; V71-F159 HydrophobicContact CG1-CE2 4.18Å; V71-F159 HydrophobicContact CG1-CZ 3.26Å; V72-F159 HydrophobicContact CG1-CE1 3.98Å; L131-F159 HydrophobicContact CD1-CB 3.85Å; L131-F159 HydrophobicContact CD1-CD2 4.47Å; L131-F159 HydrophobicContact CD1-CG 4.05Å; L131-F159 HydrophobicContact CD2-CD2 3.72Å; L131-F159 HydrophobicContact CD2-CE2 3.93Å; L131-F159 HydrophobicContact CD2-CG 4.04Å; L131-F159 HydrophobicContact CD2-CZ 4.45Å; V136-F159 HydrophobicContact CG1-CD2 4.05Å; H138-F159 HydrophobicContact CB-CB 4.44Å; A157-F159 PolarHBondContact O-N 3.23Å; F159-L161 PolarHBondContact O-N 3.07Å
160G67.4Low74Confident10 Ų1042.4 Ų42.410%0.10325%0.248CC..THydrogen-bonded Turntrans677.1171.200000115.7E56E56-G160 VanDerWaalsContact OE2-O 3.06Å
161L67Low71.8Confident1 Ų143.6 Ų43.61%0.00525%0.246CC..  trans-99-6.3178.4-60.9170.5000112.9K38 L60 L91 F93 F159 K163 I164 Y165K38-L161 HydrophobicContact CD-CD1 4.4Å; L60-L161 HydrophobicContact CD1-CD2 3.33Å; L60-L161 HydrophobicContact CD1-CG 3.99Å; L91-L161 HydrophobicContact CD1-CD1 4.44Å; L91-L161 HydrophobicContact CD1-CD2 3.69Å; F93-L161 HydrophobicContact CZ-CD1 4.44Å; F159-L161 PolarHBondContact O-N 3.07Å; L161-K163 VanDerWaalsContact C-N 3.3Å; L161-K163 PolarHBondContact O-N 2.85Å; L161-I164 HydrophobicContact CD2-CD1 3.74Å; L161-I164 WeakPolarHBondContact O-CB 3.44Å; L161-I164 PolarHBondContact O-N 3.25Å; L161-I164 VanDerWaalsContact O-N 3.12Å; L161-Y165 VanDerWaalsContact C-CD2 3.49Å; L161-Y165 HydrophobicContact CB-CD2 3.73Å; L161-Y165 HydrophobicContact CB-CE2 3.09Å; L161-Y165 HydrophobicContact CD1-CE2 3.99Å; L161-Y165 VanDerWaalsContact CD1-OH 3.31Å; L161-Y165 WeakPolarHBondContact CD1-OH 3.41Å; L161-Y165 HydrophobicContact CG-CE2 4.11Å; L161-Y165 WeakPolarHBondContact O-CD2 3.44Å; L161-Y165 PolarHBondContact O-N 3.28Å; L161-Y165 VanDerWaalsContact O-N 3.1Å
162A62.6Low69.4Low30 Ų3038.7 Ų38.725%0.24823%0.228CC..Hα-helixtrans-58.3-32.2-173.800000114.3R139 S166R139-A162 HydrophobicContact CB-CB 4.21Å; A162-S166 PolarHBondContact O-N 3Å
163K61.3Low66.9Low112 Ų11245.1 Ų45.149%0.48727%0.269SS..Hα-helixtrans-85.3-27.2176.3-54.9-179.4174.8174.80112.9E56 L161 Y165 S166E56-K163 WeakPolarHBondContact OE1-CB 3.39Å; E56-K163 VanDerWaalsContact OE1-CD 3.28Å; E56-K163 WeakPolarHBondContact OE1-CD 3.48Å; E56-K163 WeakPolarHBondContact OE1-CG 3.44Å; E56-K163 WeakPolarHBondContact OE2-CB 3.46Å; E56-K163 PolarHBondContact OE2-N 2.94Å; L161-K163 VanDerWaalsContact C-N 3.3Å; L161-K163 PolarHBondContact O-N 2.85Å; K163-Y165 PolarHBondContact O-N 3.37Å; K163-S166 PolarHBondContact O-N 3.08Å; K163-S166 PolarHBondContact O-OG 2.87Å
164I59.1Low64.5Low7 Ų744.6 Ų44.64%0.03627%0.27CS..Hα-helixtrans-58-37.7166.9-64.8165.4000109.8V40 V42 T53 E56 V57 L161V40-I164 HydrophobicContact CG1-CG2 3.56Å; V42-I164 HydrophobicContact CG2-CG2 4.12Å; T53-I164 HydrophobicContact CG2-CD1 4.2Å; T53-I164 HydrophobicContact CG2-CG1 3.77Å; T53-I164 HydrophobicContact CG2-CG2 4.16Å; E56-I164 HydrophobicContact CB-CD1 3.87Å; E56-I164 HydrophobicContact CB-CG1 4.11Å; E56-I164 WeakPolarHBondContact OE2-CG1 3.42Å; E56-I164 PolarHBondContact OE2-N 3.01Å; V57-I164 HydrophobicContact CG2-CD1 3.93Å; L161-I164 HydrophobicContact CD2-CD1 3.74Å; L161-I164 WeakPolarHBondContact O-CB 3.44Å; L161-I164 PolarHBondContact O-N 3.25Å; L161-I164 VanDerWaalsContact O-N 3.12Å
165Y58.3Low62.4Low3 Ų351.1 Ų51.11%0.01231%0.31CS..Hα-helixtrans-85.6-16.6-176-59-49000115.8Y20 K38 V40 L161 K163 C167 Q168 M169Y20-Y165 AromaticContact CD1-CD1 3.94Å; Y20-Y165 HydrophobicContact CD1-CD1 3.94Å; Y20-Y165 AromaticContact CD1-CD2 3.11Å; Y20-Y165 HydrophobicContact CD1-CD2 3.11Å; Y20-Y165 HydrophobicContact CD1-CE1 4.42Å; Y20-Y165 AromaticContact CD1-CE2 3.62Å; Y20-Y165 HydrophobicContact CD1-CE2 3.62Å; Y20-Y165 AromaticContact CD1-CG 3.31Å; Y20-Y165 HydrophobicContact CD1-CG 3.31Å; Y20-Y165 AromaticContact CE1-CD2 3.66Å; Y20-Y165 HydrophobicContact CE1-CD2 3.66Å; Y20-Y165 HydrophobicContact CE1-CE2 4.42Å; Y20-Y165 AromaticContact CE1-CG 4Å; Y20-Y165 HydrophobicContact CE1-CG 4Å; Y20-Y165 HydrophobicContact CG-CD1 4.46Å; Y20-Y165 AromaticContact CG-CD2 3.67Å; Y20-Y165 HydrophobicContact CG-CD2 3.67Å; Y20-Y165 AromaticContact CG-CE2 3.65Å; Y20-Y165 HydrophobicContact CG-CE2 3.65Å; Y20-Y165 HydrophobicContact CG-CG 4.11Å; Y20-Y165 WeakPolarHBondContact O-CE1 3.21Å; K38-Y165 WeakPolarHBondContact CD-OH 3.47Å; K38-Y165 WeakPolarHBondContact CE-OH 3.48Å; K38-Y165 PolarHBondContact NZ-OH 2.85Å; V40-Y165 HydrophobicContact CB-CE1 4.37Å; V40-Y165 HydrophobicContact CG1-CD1 4.17Å; V40-Y165 HydrophobicContact CG1-CE1 3.64Å; V40-Y165 HydrophobicContact CG2-CE1 3.82Å; L161-Y165 VanDerWaalsContact C-CD2 3.49Å; L161-Y165 HydrophobicContact CB-CD2 3.73Å; L161-Y165 HydrophobicContact CB-CE2 3.09Å; L161-Y165 HydrophobicContact CD1-CE2 3.99Å; L161-Y165 VanDerWaalsContact CD1-OH 3.31Å; L161-Y165 WeakPolarHBondContact CD1-OH 3.41Å; L161-Y165 HydrophobicContact CG-CE2 4.11Å; L161-Y165 WeakPolarHBondContact O-CD2 3.44Å; L161-Y165 PolarHBondContact O-N 3.28Å; L161-Y165 VanDerWaalsContact O-N 3.1Å; K163-Y165 PolarHBondContact O-N 3.37Å; Y165-C167 PolarHBondContact O-N 3.42Å; Y165-C167 VanDerWaalsContact O-N 3.11Å; Y165-Q168 PolarHBondContact O-N 3.41Å; Y165-M169 WeakPolarHBondContact O-CG 3.48Å; Y165-M169 PolarHBondContact O-N 3.29Å
166S57Low60.9Low68 Ų6852.4 Ų52.448%0.47632%0.319SS..Hα-helixtrans-58-30.7-177.658.70000113A162 K163 A170A162-S166 PolarHBondContact O-N 3Å; K163-S166 PolarHBondContact O-N 3.08Å; K163-S166 PolarHBondContact O-OG 2.87Å; S166-A170 PolarHBondContact O-N 3.3Å
167C51Low60Low62 Ų6254.7 Ų54.742%0.41933%0.333SS..Hα-helixtrans-71.3-35.8174.7-72.40000113.4Y165Y165-C167 PolarHBondContact O-N 3.42Å; Y165-C167 VanDerWaalsContact O-N 3.11Å
168Q50.4Low59.9Low45 Ų4555.5 Ų55.521%0.2134%0.336CS..Hα-helixtrans-77.5-36.7179.1-77.3-175-47.800112.3R41 Y165 A170 L171 T172R41-Q168 PolarHBondContact O-NE2 2.95Å; Y165-Q168 PolarHBondContact O-N 3.41Å; Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 3.43Å; Q168-L171 PolarHBondContact O-N 2.8Å; Q168-L171 VanDerWaalsContact O-N 3.14Å; Q168-T172 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-OG1 3.36Å
169M49.8Very low60.5Low56 Ų5658.2 Ų58.228%0.27634%0.343SS..Hα-helixtrans-68.3-27.9178.4-64.5-178.676.400112.6Y20 Y165 L171 T172 V176Y20-M169 HydrophobicContact CE1-SD 3.78Å; Y165-M169 WeakPolarHBondContact O-CG 3.48Å; Y165-M169 PolarHBondContact O-N 3.29Å; M169-L171 PolarHBondContact O-N 3.29Å; M169-T172 VanDerWaalsContact O-O 3.07Å; M169-V176 HydrophobicContact CE-CB 4.49Å; M169-V176 HydrophobicContact CE-CG1 4.35Å; M169-V176 HydrophobicContact CE-CG2 3.31Å
170A51Low61.4Low88 Ų8858.5 Ų58.573%0.72734%0.344SS*.THydrogen-bonded Turntrans-67.3-20.3173.200000113.3S166 Q168S166-A170 PolarHBondContact O-N 3.3Å; Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 3.43Å
171L44Very low62.7Low121 Ų12161 Ų6163%0.63435%0.35SS*.THydrogen-bonded Turntrans-99.9-16.4-174.6-66.2168.1000113.7Q168 M169Q168-L171 PolarHBondContact O-N 2.8Å; Q168-L171 VanDerWaalsContact O-N 3.14Å; M169-L171 PolarHBondContact O-N 3.29Å
172T40.7Very low64.1Low71 Ų7161.1 Ų61.144%0.43635%0.351SS..SBendtrans-131.1127.5-176.849.20000110.2Q168 M169 V174Q168-T172 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-OG1 3.36Å; M169-T172 VanDerWaalsContact O-O 3.07Å; T172-V174 PolarHBondContact O-N 3.48Å; T172-V174 WeakPolarHBondContact OG1-CG2 3.45Å
173P41.6Very low65.7Low139 Ų13959.7 Ų59.790%0.90334%0.34SS*.  trans-73.576.3173.830.1-32.2000108.8
174V46.7Very low67.3Low56 Ų5654.8 Ų54.834%0.33932%0.318SS..  trans-83.6126.4171.3-172.50000107.5A19 T172 V176A19-V174 HydrophobicContact CB-CB 4.18Å; A19-V174 HydrophobicContact CB-CG1 3.68Å; A19-V174 HydrophobicContact CB-CG2 4.38Å; T172-V174 PolarHBondContact O-N 3.48Å; T172-V174 WeakPolarHBondContact OG1-CG2 3.45Å; V174-V176 WeakPolarHBondContact O-CG2 3.26Å; V174-V176 PolarHBondContact O-N 3.36Å
175V52.9Low68.8Low138 Ų13856.5 Ų56.584%0.83633%0.329SS*.  trans-62.4107.5171.4179.90000107.6
176V65.9Low70.5Confident41 Ų4156.5 Ų56.525%0.24833%0.329CS..  trans-88.6125.1177.8-170.70000108.7M169 V174 L178 R181M169-V176 HydrophobicContact CE-CB 4.49Å; M169-V176 HydrophobicContact CE-CG1 4.35Å; M169-V176 HydrophobicContact CE-CG2 3.31Å; V174-V176 WeakPolarHBondContact O-CG2 3.26Å; V174-V176 PolarHBondContact O-N 3.36Å; V176-L178 PolarHBondContact O-N 2.95Å; V176-L178 VanDerWaalsContact O-N 3.15Å; V176-R181 VanDerWaalsContact CB-NH2 3.33Å
177T77.9Confident72.2Confident48 Ų4853.3 Ų53.329%0.29431%0.307SS..  trans-61.3116.8179.5-50.90000110.9W179 Y180T177-W179 HydrophobicContact CG2-CB 3.96Å; T177-W179 HydrophobicContact CG2-CD2 3.79Å; T177-W179 HydrophobicContact CG2-CE3 3.85Å; T177-W179 HydrophobicContact CG2-CG 3.84Å; T177-Y180 HydrophobicContact CG2-CD2 4.18Å; T177-Y180 HydrophobicContact CG2-CE2 3.99Å
178L90.8Very high73.9Confident24 Ų2457.1 Ų57.113%0.12632%0.319CS..  trans-80-19.2-179.9-60179.3000113.2V176 Y180 R181 E219 Q222V176-L178 PolarHBondContact O-N 2.95Å; V176-L178 VanDerWaalsContact O-N 3.15Å; L178-Y180 PolarHBondContact O-N 3.31Å; L178-R181 VanDerWaalsContact CD2-CZ 3.45Å; L178-R181 VanDerWaalsContact CD2-NH1 3.26Å; L178-R181 WeakPolarHBondContact O-CB 3.14Å; L178-R181 PolarHBondContact O-N 3.43Å; L178-E219 HydrophobicContact CD2-CG 4.43Å; L178-Q222 HydrophobicContact CB-CG 4.4Å; L178-Q222 PolarHBondContact O-NE2 3.03Å
179W96.5Very high75.6Confident95 Ų9556 Ų5636%0.3632%0.316SS..THydrogen-bonded Turntrans-62-22.5-160.4-58.6-15.2000115.5T177 P212 F214 G216 Q222T177-W179 HydrophobicContact CG2-CB 3.96Å; T177-W179 HydrophobicContact CG2-CD2 3.79Å; T177-W179 HydrophobicContact CG2-CE3 3.85Å; T177-W179 HydrophobicContact CG2-CG 3.84Å; W179-P212 HydrophobicContact CB-CB 4.47Å; W179-P212 HydrophobicContact CD2-CB 4.47Å; W179-P212 HydrophobicContact CD2-CG 4.37Å; W179-P212 HydrophobicContact CE3-CB 3.97Å; W179-P212 HydrophobicContact CE3-CG 3.47Å; W179-P212 VanDerWaalsContact CE3-CG 3.47Å; W179-P212 HydrophobicContact CZ3-CG 3.71Å; W179-F214 VanDerWaalsContact CA-O 3.25Å; W179-F214 WeakPolarHBondContact CA-O 3.43Å; W179-F214 WeakPolarHBondContact CB-O 3.41Å; W179-F214 VanDerWaalsContact CG-O 3.3Å; W179-G216 PolarHBondContact NE1-O 3.46Å; W179-G216 VanDerWaalsContact NE1-O 3.12Å; W179-Q222 PolarHBondContact O-NE2 3.21Å
180Y96.9Very high77.2Confident13 Ų1358.2 Ų58.25%0.05134%0.336CS..THydrogen-bonded Turntrans-110.12.4179.9-47.7-84.1000112.9L141 K142 P143 T177 L178 S199 C202 I203 E206L141-Y180 WeakPolarHBondContact O-CB 3.46Å; K142-Y180 HydrophobicContact CB-CD2 3.59Å; K142-Y180 HydrophobicContact CB-CE2 3.64Å; K142-Y180 HydrophobicContact CB-CG 4.19Å; P143-Y180 WeakPolarHBondContact CD-OH 3.4Å; P143-Y180 HydrophobicContact CG-CE1 4.16Å; P143-Y180 WeakPolarHBondContact CG-OH 3.16Å; T177-Y180 HydrophobicContact CG2-CD2 4.18Å; T177-Y180 HydrophobicContact CG2-CE2 3.99Å; L178-Y180 PolarHBondContact O-N 3.31Å; Y180-S199 WeakPolarHBondContact O-CB 3.48Å; Y180-S199 PolarHBondContact O-OG 3.36Å; Y180-C202 HydrophobicContact CD1-CB 3.72Å; Y180-C202 HydrophobicContact CE1-CB 4.39Å; Y180-I203 HydrophobicContact CD1-CG1 3.88Å; Y180-I203 HydrophobicContact CE1-CG1 3.93Å; Y180-E206 WeakPolarHBondContact CE1-OE2 3.34Å; Y180-E206 PolarHBondContact OH-OE2 3.14Å
181R95.6Very high78.8Confident63 Ų6359.8 Ų59.824%0.23832%0.324CS..  trans-72.6135.6-179.9-68.2-175-179-176.6-0.5110.3V176 L178 L186 W198 E219V176-R181 VanDerWaalsContact CB-NH2 3.33Å; L178-R181 VanDerWaalsContact CD2-CZ 3.45Å; L178-R181 VanDerWaalsContact CD2-NH1 3.26Å; L178-R181 WeakPolarHBondContact O-CB 3.14Å; L178-R181 PolarHBondContact O-N 3.43Å; R181-L186 HydrophobicContact CB-CD1 4.47Å; R181-L186 HydrophobicContact CB-CD2 3.9Å; R181-L186 HydrophobicContact CB-CG 4.02Å; R181-W198 PolarHBondContact O-NE1 2.93Å; R181-E219 IonicContact NH1-OE1 2.87Å
182P95.8Very high81Confident4 Ų456.4 Ų56.43%0.02631%0.314CS..  trans-76.3161.3176.434.3-39000112.5E184 V185 L186 V195 W198P182-E184 VanDerWaalsContact C-N 3.32Å; P182-E184 WeakPolarHBondContact CB-OE2 3.42Å; P182-E184 HydrophobicContact CG-CG 4.35Å; P182-E184 PolarHBondContact O-N 2.73Å; P182-V185 HydrophobicContact CG-CB 3.87Å; P182-V185 HydrophobicContact CG-CG2 3.54Å; P182-V185 PolarHBondContact O-N 2.73Å; P182-V185 VanDerWaalsContact O-N 3.14Å; P182-L186 WeakPolarHBondContact O-CG 3.45Å; P182-L186 PolarHBondContact O-N 3.04Å; P182-L186 VanDerWaalsContact O-N 3.15Å; P182-V195 HydrophobicContact CG-CB 3.77Å; P182-V195 HydrophobicContact CG-CG1 3.73Å; P182-W198 HydrophobicContact CB-CB 3.67Å; P182-W198 HydrophobicContact CB-CD2 4.05Å; P182-W198 HydrophobicContact CB-CG 3.52Å
183P96.6Very high83.4Confident0 Ų055.6 Ų55.60%031%0.309CS..Hα-helixtrans-55.6-42.8-179.5-23.833.2000113.1V185 L186 L187 W198 L223 I226 F278P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 3.38Å; P183-L186 PolarHBondContact O-N 3.3Å; P183-L186 VanDerWaalsContact O-N 3.16Å; P183-L187 WeakPolarHBondContact O-CB 3.49Å; P183-L187 WeakPolarHBondContact O-CG 3.39Å; P183-L187 PolarHBondContact O-N 3.04Å; P183-W198 HydrophobicContact CG-CE3 4.24Å; P183-W198 HydrophobicContact CG-CH2 3.66Å; P183-W198 HydrophobicContact CG-CZ2 4Å; P183-W198 HydrophobicContact CG-CZ3 3.76Å; P183-L223 HydrophobicContact CB-CD2 4.17Å; P183-I226 HydrophobicContact CG-CD1 4.46Å; P183-I226 HydrophobicContact CG-CG2 4.31Å; P183-F278 HydrophobicContact CB-CD2 3.62Å; P183-F278 HydrophobicContact CB-CE2 3.43Å; P183-F278 VanDerWaalsContact CB-CE2 3.43Å; P183-F278 HydrophobicContact CB-CZ 4.47Å; P183-F278 HydrophobicContact CG-CD2 3.76Å; P183-F278 HydrophobicContact CG-CE2 4.11Å
184E93.8Very high86Confident9 Ų950.2 Ų50.24%0.04227%0.274CS..Hα-helixtrans-63.2-31.6-179.163-87.7-160.200113.3P182 Q188 S189 V195 R283P182-E184 VanDerWaalsContact C-N 3.32Å; P182-E184 WeakPolarHBondContact CB-OE2 3.42Å; P182-E184 HydrophobicContact CG-CG 4.35Å; P182-E184 PolarHBondContact O-N 2.73Å; E184-Q188 PolarHBondContact O-N 3.45Å; E184-S189 PolarHBondContact O-N 3.47Å; E184-V195 HydrophobicContact CG-CG1 4.24Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.24Å; E184-R283 IonicContact OE1-CZ 2.74Å; E184-R283 IonicContact OE1-NH1 3.89Å; E184-R283 PolarHBondContact OE1-NH1 3.16Å; E184-R283 IonicContact OE1-NH2 3.89Å; E184-R283 PolarHBondContact OE1-NH2 3.02Å; E184-R283 IonicContact OE2-CZ 3.61Å; E184-R283 IonicContact OE2-NH1 2.73Å; E184-R283 IonicContact OE2-NH2 3.93Å; E184-R283 PolarHBondContact OE2-NH2 3.23Å
185V92.4Very high88.3Confident43 Ų4347.8 Ų47.826%0.26126%0.259SS..Hα-helixtrans-75.2-40.3175.3170.90000110.6P182 P183 L187 Q188 Y191 V195P182-V185 HydrophobicContact CG-CB 3.87Å; P182-V185 HydrophobicContact CG-CG2 3.54Å; P182-V185 PolarHBondContact O-N 2.73Å; P182-V185 VanDerWaalsContact O-N 3.14Å; P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 3.38Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 2.86Å; V185-Q188 PolarHBondContact O-N 3.4Å; V185-Q188 VanDerWaalsContact O-N 3.14Å; V185-Y191 HydrophobicContact CG2-CD1 4.26Å; V185-Y191 HydrophobicContact CG2-CG 4.21Å; V185-V195 HydrophobicContact CG2-CG1 3.96Å
186L93.4Very high90.4Very high2 Ų241.2 Ų41.21%0.0122%0.22CC..Hα-helixtrans-67.8-30.3176.6-63.5168.6000112.3R181 P182 P183 Q188 E219 Q222 L223 I226R181-L186 HydrophobicContact CB-CD1 4.47Å; R181-L186 HydrophobicContact CB-CD2 3.9Å; R181-L186 HydrophobicContact CB-CG 4.02Å; P182-L186 WeakPolarHBondContact O-CG 3.45Å; P182-L186 PolarHBondContact O-N 3.04Å; P182-L186 VanDerWaalsContact O-N 3.15Å; P183-L186 PolarHBondContact O-N 3.3Å; P183-L186 VanDerWaalsContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.27Å; L186-E219 HydrophobicContact CD2-CB 4.2Å; L186-E219 HydrophobicContact CD2-CG 4.08Å; L186-Q222 HydrophobicContact CD1-CB 4.12Å; L186-Q222 HydrophobicContact CD1-CG 3.48Å; L186-Q222 VanDerWaalsContact CD1-CG 3.48Å; L186-Q222 HydrophobicContact CD2-CB 4.47Å; L186-Q222 HydrophobicContact CD2-CG 4.2Å; L186-L223 HydrophobicContact CB-CD1 4.21Å; L186-L223 HydrophobicContact CB-CD2 4.01Å; L186-L223 HydrophobicContact CB-CG 3.97Å; L186-L223 HydrophobicContact CD1-CD2 4.03Å; L186-L223 HydrophobicContact CD1-CG 4.07Å; L186-I226 HydrophobicContact CD1-CD1 3.72Å
187L91.6Very high91.9Very high2 Ų239.3 Ų39.31%0.0121%0.208CC..THydrogen-bonded Turntrans-83.4-2.5174.3-66.2171.6000113P183 V185 S189 L223 W238 P239 V242 V244 F278P183-L187 WeakPolarHBondContact O-CB 3.49Å; P183-L187 WeakPolarHBondContact O-CG 3.39Å; P183-L187 PolarHBondContact O-N 3.04Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 2.86Å; L187-S189 PolarHBondContact O-N 2.83Å; L187-L223 HydrophobicContact CD2-CD1 3.77Å; L187-L223 HydrophobicContact CD2-CD2 4.5Å; L187-L223 HydrophobicContact CG-CD1 4.31Å; L187-L223 HydrophobicContact CG-CD2 4.35Å; L187-W238 HydrophobicContact CD1-CZ2 4.36Å; L187-W238 HydrophobicContact CD2-CH2 4.27Å; L187-W238 HydrophobicContact CD2-CZ2 3.8Å; L187-P239 HydrophobicContact CD1-CG 4.33Å; L187-V242 HydrophobicContact CB-CB 4.35Å; L187-V242 HydrophobicContact CB-CG1 3.94Å; L187-V242 WeakPolarHBondContact O-CG1 3.26Å; L187-V244 HydrophobicContact CD2-CB 3.65Å; L187-V244 HydrophobicContact CD2-CG1 3.87Å; L187-V244 HydrophobicContact CD2-CG2 4.28Å; L187-F278 HydrophobicContact CD1-CE2 4.22Å; L187-F278 HydrophobicContact CD1-CZ 3.92Å
188Q88.4Confident92.9Very high142 Ų14237 Ų3766%0.66419%0.194SC*.THydrogen-bonded Turntrans58.931.8-177.9-52.4177.110.400113.5E184 V185 L186E184-Q188 PolarHBondContact O-N 3.45Å; V185-Q188 PolarHBondContact O-N 3.4Å; V185-Q188 VanDerWaalsContact O-N 3.14Å; L186-Q188 VanDerWaalsContact C-N 3.27Å
189S85.4Confident93.3Very high22 Ų2236.1 Ų36.115%0.15419%0.19CC..  trans-86.6172.9175.2-168.20000111.4E184 L187E184-S189 PolarHBondContact O-N 3.47Å; L187-S189 PolarHBondContact O-N 2.83Å
190S82.6Confident93.4Very high101 Ų10131.6 Ų31.671%0.70617%0.173SC*.  trans-64.3142.1173.5-66.60000110.8
191Y85.6Confident93.5Very high121 Ų12131 Ų3148%0.47517%0.17SC..  trans-140.5157.2-175.769.2-94.8000113.2V185 V195V185-Y191 HydrophobicContact CG2-CD1 4.26Å; V185-Y191 HydrophobicContact CG2-CG 4.21Å; Y191-V195 HydrophobicContact CD2-CG1 3.89Å; Y191-V195 HydrophobicContact CD2-CG2 4.44Å; Y191-V195 HydrophobicContact CG-CG1 4.05Å
192A89.8Confident93.6Very high51 Ų5128 Ų2842%0.42116%0.159SC..  trans-143.1-159.5-179.100000110.5P194 V195A192-P194 VanDerWaalsContact C-N 3.29Å; A192-P194 WeakPolarHBondContact O-CD 3.11Å; A192-P194 VanDerWaalsContact O-N 3.14Å; A192-V195 WeakPolarHBondContact O-CG1 3.43Å; A192-V195 WeakPolarHBondContact O-CG2 3.25Å; A192-V195 PolarHBondContact O-N 3.02Å
193T90.9Very high93.8Very high53 Ų5327.9 Ų27.933%0.32516%0.158SC..THydrogen-bonded Turntrans-52.9-27.3-179.8520000116.7H132 M137 V195 D196H132-T193 HydrophobicContact CB-CG2 4.38Å; H132-T193 PolarHBondContact CE1-O 3.18Å; H132-T193 VanDerWaalsContact CE1-O 3.3Å; M137-T193 HydrophobicContact CG-CG2 3.69Å; T193-V195 PolarHBondContact O-N 3.41Å; T193-V195 VanDerWaalsContact O-N 3.08Å; T193-D196 PolarHBondContact O-N 3.1Å; T193-D196 VanDerWaalsContact O-N 3.17Å
194P95.7Very high93.9Very high26 Ų2627.9 Ų27.917%0.16916%0.158CC..Hα-helixtrans-59.2-20.2177-27.737.7000114.9A192 D196 I197 W198 P280 R283A192-P194 VanDerWaalsContact C-N 3.29Å; A192-P194 WeakPolarHBondContact O-CD 3.11Å; A192-P194 VanDerWaalsContact O-N 3.14Å; P194-D196 PolarHBondContact O-N 3.25Å; P194-I197 WeakPolarHBondContact O-CB 3.4Å; P194-I197 PolarHBondContact O-N 2.87Å; P194-I197 VanDerWaalsContact O-N 3.17Å; P194-W198 PolarHBondContact O-N 3.26Å; P194-P280 HydrophobicContact CB-CB 3.89Å; P194-P280 HydrophobicContact CG-CB 4.22Å; P194-P280 VanDerWaalsContact CG-O 3.32Å; P194-P280 WeakPolarHBondContact CG-O 3.43Å; P194-R283 VanDerWaalsContact C-NH1 3.29Å; P194-R283 HydrophobicContact CB-CB 4.46Å; P194-R283 WeakPolarHBondContact O-CD 3.42Å; P194-R283 PolarHBondContact O-NH1 3.29Å
195V95.4Very high94.1Very high5 Ų527.5 Ų27.53%0.0316%0.156CC..Hα-helixtrans-58.4-38.6176.2-60.50000112.1P182 E184 V185 Y191 A192 T193 I197 W198 S199P182-V195 HydrophobicContact CG-CB 3.77Å; P182-V195 HydrophobicContact CG-CG1 3.73Å; E184-V195 HydrophobicContact CG-CG1 4.24Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.24Å; V185-V195 HydrophobicContact CG2-CG1 3.96Å; Y191-V195 HydrophobicContact CD2-CG1 3.89Å; Y191-V195 HydrophobicContact CD2-CG2 4.44Å; Y191-V195 HydrophobicContact CG-CG1 4.05Å; A192-V195 WeakPolarHBondContact O-CG1 3.43Å; A192-V195 WeakPolarHBondContact O-CG2 3.25Å; A192-V195 PolarHBondContact O-N 3.02Å; T193-V195 PolarHBondContact O-N 3.41Å; T193-V195 VanDerWaalsContact O-N 3.08Å; V195-I197 VanDerWaalsContact C-N 3.3Å; V195-I197 PolarHBondContact O-N 3Å; V195-W198 WeakPolarHBondContact O-CB 3.38Å; V195-W198 PolarHBondContact O-N 3.29Å; V195-S199 PolarHBondContact O-N 3.28Å; V195-S199 PolarHBondContact O-OG 3.43Å
196D96.8Very high94.4Very high0 Ų026.1 Ų26.10%015%0.147CC..Hα-helixtrans-71.5-30.4-178.4-64.7-30000111.2L128 H132 M137 H138 R139 L141 T193 P194 T200L128-D196 HydrophobicContact CD1-CB 3.78Å; L128-D196 HydrophobicContact CD2-CB 3.97Å; L128-D196 HydrophobicContact CG-CB 4.41Å; H132-D196 IonicContact CD2-OD2 2.72Å; H132-D196 IonicContact CE1-OD2 3.78Å; H132-D196 IonicContact NE2-OD2 3.53Å; H132-D196 PolarHBondContact NE2-OD2 2.99Å; M137-D196 WeakPolarHBondContact CA-OD2 3.38Å; H138-D196 WeakPolarHBondContact CB-OD1 3.45Å; H138-D196 PolarHBondContact N-OD1 3.48Å; H138-D196 PolarHBondContact N-OD2 3.2Å; R139-D196 PolarHBondContact N-OD1 3.19Å; L141-D196 HydrophobicContact CD1-CB 3.75Å; L141-D196 WeakPolarHBondContact CD1-O 3.36Å; T193-D196 PolarHBondContact O-N 3.1Å; T193-D196 VanDerWaalsContact O-N 3.17Å; P194-D196 PolarHBondContact O-N 3.25Å; D196-T200 VanDerWaalsContact O-CB 3.31Å; D196-T200 WeakPolarHBondContact O-CB 3.43Å; D196-T200 PolarHBondContact O-N 3.25Å; D196-T200 PolarHBondContact O-OG1 3.33Å
197I98.7Very high94.6Very high1 Ų126.1 Ų26.11%0.00515%0.147CC..Hα-helixtrans-67.7-41.3176.8-54.8-61.3000110.6L128 P194 V195 T200 G201 M275 R283 I284 A286L128-I197 HydrophobicContact CD2-CD1 3.81Å; P194-I197 WeakPolarHBondContact O-CB 3.4Å; P194-I197 PolarHBondContact O-N 2.87Å; P194-I197 VanDerWaalsContact O-N 3.17Å; V195-I197 VanDerWaalsContact C-N 3.3Å; V195-I197 PolarHBondContact O-N 3Å; I197-T200 WeakPolarHBondContact O-CB 3.44Å; I197-T200 PolarHBondContact O-N 2.72Å; I197-G201 PolarHBondContact O-N 3.25Å; I197-M275 HydrophobicContact CG2-CB 3.95Å; I197-M275 HydrophobicContact CG2-CG 3.86Å; I197-R283 HydrophobicContact CB-CG 4.42Å; I197-R283 HydrophobicContact CG2-CG 4.12Å; I197-I284 WeakPolarHBondContact CG1-O 3.43Å; I197-I284 HydrophobicContact CG2-CG2 4.06Å; I197-I284 WeakPolarHBondContact CG2-O 3.13Å; I197-A286 HydrophobicContact CD1-CB 3.75Å; I197-A286 VanDerWaalsContact CD1-N 3.33Å
198W98.7Very high94.9Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-59.8-52175.4178.4-82.5000111.4R181 P182 P183 P194 V195 T200 G201 C202 F214 I226 I230 L276R181-W198 PolarHBondContact O-NE1 2.93Å; P182-W198 HydrophobicContact CB-CB 3.67Å; P182-W198 HydrophobicContact CB-CD2 4.05Å; P182-W198 HydrophobicContact CB-CG 3.52Å; P183-W198 HydrophobicContact CG-CE3 4.24Å; P183-W198 HydrophobicContact CG-CH2 3.66Å; P183-W198 HydrophobicContact CG-CZ2 4Å; P183-W198 HydrophobicContact CG-CZ3 3.76Å; P194-W198 PolarHBondContact O-N 3.26Å; V195-W198 WeakPolarHBondContact O-CB 3.38Å; V195-W198 PolarHBondContact O-N 3.29Å; W198-T200 PolarHBondContact O-N 2.73Å; W198-G201 WeakPolarHBondContact O-CA 3.45Å; W198-G201 PolarHBondContact O-N 3.2Å; W198-C202 PolarHBondContact O-N 3.24Å; W198-F214 AromaticContact CZ2-CE2 3.95Å; W198-F214 HydrophobicContact CZ2-CE2 3.95Å; W198-F214 HydrophobicContact CZ2-CZ 4.45Å; W198-I226 HydrophobicContact CH2-CG2 3.45Å; W198-I226 VanDerWaalsContact CH2-CG2 3.45Å; W198-I226 HydrophobicContact CZ2-CB 4.36Å; W198-I226 HydrophobicContact CZ2-CD1 3.74Å; W198-I226 HydrophobicContact CZ2-CG1 3.84Å; W198-I226 HydrophobicContact CZ2-CG2 3.61Å; W198-I230 HydrophobicContact CH2-CD1 3.99Å; W198-I230 HydrophobicContact CZ3-CD1 4.3Å; W198-L276 HydrophobicContact CD2-CD2 4.01Å; W198-L276 HydrophobicContact CE3-CD2 4.18Å; W198-L276 HydrophobicContact CH2-CB 4.44Å; W198-L276 HydrophobicContact CH2-CD2 4.34Å; W198-L276 HydrophobicContact CZ2-CD2 4.19Å; W198-L276 HydrophobicContact CZ3-CB 4.2Å; W198-L276 HydrophobicContact CZ3-CD2 4.36Å; W198-L276 VanDerWaalsContact CZ3-O 3.26Å; W198-L276 WeakPolarHBondContact CZ3-O 3.36Å
199S98.4Very high95.2Very high6 Ų623.6 Ų23.64%0.04213%0.132CC..Hα-helixtrans-57.6-39.5177.3-54.70000111.4Y180 V195 C202 I203Y180-S199 WeakPolarHBondContact O-CB 3.48Å; Y180-S199 PolarHBondContact O-OG 3.36Å; V195-S199 PolarHBondContact O-N 3.28Å; V195-S199 PolarHBondContact O-OG 3.43Å; S199-C202 WeakPolarHBondContact O-CB 3.45Å; S199-C202 PolarHBondContact O-N 2.92Å; S199-I203 WeakPolarHBondContact O-CD1 3.49Å; S199-I203 VanDerWaalsContact O-CG1 3.25Å; S199-I203 WeakPolarHBondContact O-CG1 3.43Å; S199-I203 PolarHBondContact O-N 3.37Å
200T98.8Very high95.6Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-62.2-40.3174.1-60.40000112.2M121 L124 L125 L128 L141 D196 I197 W198 I203 F204 M275M121-T200 HydrophobicContact CE-CG2 3.77Å; L124-T200 HydrophobicContact CD2-CG2 3.82Å; L124-T200 HydrophobicContact CG-CG2 4.29Å; L125-T200 HydrophobicContact CD2-CG2 4.04Å; L128-T200 WeakPolarHBondContact CD2-OG1 3.41Å; L141-T200 WeakPolarHBondContact CD1-OG1 3.31Å; D196-T200 VanDerWaalsContact O-CB 3.31Å; D196-T200 WeakPolarHBondContact O-CB 3.43Å; D196-T200 PolarHBondContact O-N 3.25Å; D196-T200 PolarHBondContact O-OG1 3.33Å; I197-T200 WeakPolarHBondContact O-CB 3.44Å; I197-T200 PolarHBondContact O-N 2.72Å; W198-T200 PolarHBondContact O-N 2.73Å; T200-I203 PolarHBondContact O-N 2.78Å; T200-F204 WeakPolarHBondContact O-CB 3.38Å; T200-F204 PolarHBondContact O-N 3.46Å; T200-M275 HydrophobicContact CG2-SD 4.38Å
201G98.8Very high96.2Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-62.2-4317300000112.8I197 W198 I203 F204 A205 L272I197-G201 PolarHBondContact O-N 3.25Å; W198-G201 WeakPolarHBondContact O-CA 3.45Å; W198-G201 PolarHBondContact O-N 3.2Å; G201-I203 VanDerWaalsContact C-N 3.31Å; G201-I203 PolarHBondContact O-N 3.17Å; G201-F204 WeakPolarHBondContact O-CB 3.35Å; G201-F204 PolarHBondContact O-N 2.82Å; G201-A205 PolarHBondContact O-N 2.78Å; G201-A205 VanDerWaalsContact O-N 3.08Å; G201-L272 WeakPolarHBondContact O-CD1 3.44Å
202C98.8Very high96.7Very high1 Ų125.8 Ų25.81%0.00713%0.127CC..Hα-helixtrans-58.6-44.1173.4-65.90000111.8Y180 W198 S199 A205 E206Y180-C202 HydrophobicContact CD1-CB 3.72Å; Y180-C202 HydrophobicContact CE1-CB 4.39Å; W198-C202 PolarHBondContact O-N 3.24Å; S199-C202 WeakPolarHBondContact O-CB 3.45Å; S199-C202 PolarHBondContact O-N 2.92Å; C202-A205 PolarHBondContact O-N 3.17Å; C202-E206 WeakPolarHBondContact O-CB 3.47Å; C202-E206 PolarHBondContact O-N 3.27Å
203I98.8Very high97.1Very high1 Ų124 Ų241%0.00511%0.11CC..Hα-helixtrans-67.4-37.5178.7-65.7163.8000111L100 L124 L141 P143 I146 Y180 S199 T200 G201 E206 M207L100-I203 HydrophobicContact CD2-CG2 3.62Å; L124-I203 HydrophobicContact CD2-CG2 4.35Å; L141-I203 HydrophobicContact CB-CD1 4.23Å; P143-I203 HydrophobicContact CG-CG1 4.35Å; I146-I203 HydrophobicContact CD1-CD1 3.55Å; I146-I203 HydrophobicContact CD1-CG1 4.47Å; I146-I203 HydrophobicContact CD1-CG2 3.87Å; Y180-I203 HydrophobicContact CD1-CG1 3.88Å; Y180-I203 HydrophobicContact CE1-CG1 3.93Å; S199-I203 WeakPolarHBondContact O-CD1 3.49Å; S199-I203 VanDerWaalsContact O-CG1 3.25Å; S199-I203 WeakPolarHBondContact O-CG1 3.43Å; S199-I203 PolarHBondContact O-N 3.37Å; T200-I203 PolarHBondContact O-N 2.78Å; G201-I203 VanDerWaalsContact C-N 3.31Å; G201-I203 PolarHBondContact O-N 3.17Å; I203-E206 PolarHBondContact O-N 2.99Å; I203-M207 HydrophobicContact CG2-CE 4.39Å; I203-M207 WeakPolarHBondContact O-CG 3.22Å; I203-M207 PolarHBondContact O-N 2.89Å
204F98.8Very high97.4Very high0 Ų021.6 Ų21.60%010%0.095CC..Hα-helixtrans-59-48.9175.5-175.2-158.4000111.5I117 M121 T200 G201 E206 M207 F208 I264 L271 L272 M275 Y294I117-F204 HydrophobicContact CG2-CD2 4.03Å; I117-F204 HydrophobicContact CG2-CE2 3.9Å; M121-F204 HydrophobicContact CE-CB 3.65Å; M121-F204 HydrophobicContact CE-CD1 4.08Å; M121-F204 HydrophobicContact CE-CD2 4.14Å; M121-F204 HydrophobicContact CE-CG 3.71Å; M121-F204 HydrophobicContact CG-CB 4.36Å; M121-F204 HydrophobicContact CG-CD2 3.29Å; M121-F204 HydrophobicContact CG-CE2 3.65Å; M121-F204 HydrophobicContact CG-CG 3.89Å; M121-F204 HydrophobicContact SD-CB 3.51Å; M121-F204 VanDerWaalsContact SD-CB 3.51Å; M121-F204 HydrophobicContact SD-CD2 3.67Å; M121-F204 HydrophobicContact SD-CG 3.69Å; T200-F204 WeakPolarHBondContact O-CB 3.38Å; T200-F204 PolarHBondContact O-N 3.46Å; G201-F204 WeakPolarHBondContact O-CB 3.35Å; G201-F204 PolarHBondContact O-N 2.82Å; F204-E206 VanDerWaalsContact C-N 3.33Å; F204-E206 PolarHBondContact O-N 3.33Å; F204-M207 HydrophobicContact CD2-CE 4.43Å; F204-M207 PolarHBondContact O-N 3.35Å; F204-F208 HydrophobicContact CD2-CD2 4.46Å; F204-F208 AromaticContact CD2-CE2 3.96Å; F204-F208 HydrophobicContact CD2-CE2 3.96Å; F204-F208 HydrophobicContact CE2-CD2 4.36Å; F204-F208 AromaticContact CE2-CE2 3.45Å; F204-F208 HydrophobicContact CE2-CE2 3.45Å; F204-F208 VanDerWaalsContact CE2-CE2 3.45Å; F204-F208 HydrophobicContact CE2-CZ 4.22Å; F204-F208 HydrophobicContact CZ-CE2 4.09Å; F204-F208 WeakPolarHBondContact O-CD2 3.3Å; F204-I264 HydrophobicContact CE1-CD1 4.06Å; F204-I264 HydrophobicContact CZ-CD1 3.98Å; F204-L271 HydrophobicContact CE1-CB 4.48Å; F204-L271 HydrophobicContact CE1-CD2 4.26Å; F204-L271 HydrophobicContact CE1-CG 4.41Å; F204-L272 HydrophobicContact CB-CD1 4.39Å; F204-L272 HydrophobicContact CD1-CB 4.02Å; F204-L272 HydrophobicContact CD1-CD1 4.1Å; F204-L272 HydrophobicContact CE1-CB 4.13Å; F204-M275 HydrophobicContact CD1-SD 4.43Å; F204-Y294 HydrophobicContact CE2-CE1 4.07Å; F204-Y294 AromaticContact CE2-CZ 3.99Å; F204-Y294 HydrophobicContact CZ-CD1 4.31Å; F204-Y294 AromaticContact CZ-CE1 3.64Å; F204-Y294 HydrophobicContact CZ-CE1 3.64Å; F204-Y294 HydrophobicContact CZ-CE2 4.26Å; F204-Y294 AromaticContact CZ-CZ 3.61Å
205A98.6Very high97.4Very high0 Ų022.8 Ų22.80%010%0.103CC..Hα-helixtrans-62.8-40175.200000112.1G201 C202 M207 F208 R209 L213 V261 L272G201-A205 PolarHBondContact O-N 2.78Å; G201-A205 VanDerWaalsContact O-N 3.08Å; C202-A205 PolarHBondContact O-N 3.17Å; A205-M207 VanDerWaalsContact C-N 3.32Å; A205-M207 PolarHBondContact O-N 3.23Å; A205-F208 PolarHBondContact O-N 3.07Å; A205-R209 WeakPolarHBondContact O-CB 3.47Å; A205-R209 WeakPolarHBondContact O-CG 3.18Å; A205-R209 PolarHBondContact O-N 3.23Å; A205-L213 HydrophobicContact CB-CB 4.06Å; A205-L213 HydrophobicContact CB-CD1 4.35Å; A205-L213 HydrophobicContact CB-CD2 3.72Å; A205-L213 HydrophobicContact CB-CG 4.26Å; A205-V261 HydrophobicContact CB-CG2 3.89Å; A205-L272 HydrophobicContact CB-CD1 4.26Å; A205-L272 HydrophobicContact CB-CD2 3.97Å
206E98.3Very high97.4Very high14 Ų1422.7 Ų22.77%0.06510%0.103CC..Hα-helixtrans-64.5-32.9178.5179.5163.5172.800113.2L104 Y180 C202 I203 F204 F208 R209 R210 P212L104-E206 HydrophobicContact CD1-CG 4.33Å; Y180-E206 WeakPolarHBondContact CE1-OE2 3.34Å; Y180-E206 PolarHBondContact OH-OE2 3.14Å; C202-E206 WeakPolarHBondContact O-CB 3.47Å; C202-E206 PolarHBondContact O-N 3.27Å; I203-E206 PolarHBondContact O-N 2.99Å; F204-E206 VanDerWaalsContact C-N 3.33Å; F204-E206 PolarHBondContact O-N 3.33Å; E206-F208 PolarHBondContact O-N 3.08Å; E206-R209 PolarHBondContact O-N 3.2Å; E206-R210 VanDerWaalsContact O-CA 3.3Å; E206-R210 WeakPolarHBondContact O-CA 3.32Å; E206-R210 PolarHBondContact O-N 3.36Å; E206-P212 WeakPolarHBondContact OE2-CA 3.44Å
207M98.4Very high97.2Very high2 Ų231.2 Ų31.21%0.0114%0.143CC..Hα-helixtrans-61.8-32.2176.8-76.5-168.6-80.100113.3L100 L104 I117 L120 M121 I203 F204 A205L100-M207 HydrophobicContact CD1-SD 4.29Å; L100-M207 HydrophobicContact CD2-CG 4.33Å; L100-M207 HydrophobicContact CD2-SD 4.28Å; L104-M207 HydrophobicContact CD1-CG 4.29Å; L104-M207 HydrophobicContact CD2-CB 4.39Å; L104-M207 HydrophobicContact CD2-CG 4.18Å; I117-M207 HydrophobicContact CD1-CB 4.26Å; I117-M207 WeakPolarHBondContact CD1-O 3.49Å; I117-M207 HydrophobicContact CG1-CB 4.1Å; I117-M207 HydrophobicContact CG2-CB 3.8Å; I117-M207 HydrophobicContact CG2-CE 4.19Å; I117-M207 HydrophobicContact CG2-SD 4.31Å; L120-M207 HydrophobicContact CB-SD 3.97Å; L120-M207 HydrophobicContact CD1-SD 3.98Å; M121-M207 HydrophobicContact CG-CE 3.38Å; M121-M207 HydrophobicContact SD-CE 3.14Å; M121-M207 WeakPolarHBondContact SD-CE 3.39Å; I203-M207 HydrophobicContact CG2-CE 4.39Å; I203-M207 WeakPolarHBondContact O-CG 3.22Å; I203-M207 PolarHBondContact O-N 2.89Å; F204-M207 HydrophobicContact CD2-CE 4.43Å; F204-M207 PolarHBondContact O-N 3.35Å; A205-M207 VanDerWaalsContact C-N 3.32Å; A205-M207 PolarHBondContact O-N 3.23Å
208F97.6Very high97Very high13 Ų1333.9 Ų33.96%0.05716%0.162CC..Hα-helixtrans-78.7-46.7170.4-70.4-80.6000111.6A114 I117 F204 A205 E206 R210 V261 E263 I264A114-F208 HydrophobicContact CB-CE1 4.5Å; I117-F208 HydrophobicContact CB-CZ 4.33Å; I117-F208 HydrophobicContact CD1-CB 4.42Å; I117-F208 HydrophobicContact CD1-CD1 3.45Å; I117-F208 VanDerWaalsContact CD1-CD1 3.45Å; I117-F208 HydrophobicContact CD1-CD2 4.18Å; I117-F208 HydrophobicContact CD1-CE1 3.62Å; I117-F208 HydrophobicContact CD1-CE2 4.33Å; I117-F208 HydrophobicContact CD1-CG 3.75Å; I117-F208 HydrophobicContact CD1-CZ 4.06Å; I117-F208 HydrophobicContact CG2-CD2 4.2Å; I117-F208 HydrophobicContact CG2-CE2 3.74Å; I117-F208 HydrophobicContact CG2-CZ 3.92Å; F204-F208 HydrophobicContact CD2-CD2 4.46Å; F204-F208 AromaticContact CD2-CE2 3.96Å; F204-F208 HydrophobicContact CD2-CE2 3.96Å; F204-F208 HydrophobicContact CE2-CD2 4.36Å; F204-F208 AromaticContact CE2-CE2 3.45Å; F204-F208 HydrophobicContact CE2-CE2 3.45Å; F204-F208 VanDerWaalsContact CE2-CE2 3.45Å; F204-F208 HydrophobicContact CE2-CZ 4.22Å; F204-F208 HydrophobicContact CZ-CE2 4.09Å; F204-F208 WeakPolarHBondContact O-CD2 3.3Å; A205-F208 PolarHBondContact O-N 3.07Å; E206-F208 PolarHBondContact O-N 3.08Å; F208-R210 PolarHBondContact O-N 3.23Å; F208-V261 HydrophobicContact CB-CG1 3.51Å; F208-V261 HydrophobicContact CD2-CG1 3.85Å; F208-V261 HydrophobicContact CG-CG1 3.82Å; F208-E263 HydrophobicContact CD1-CB 3.98Å; F208-I264 HydrophobicContact CD2-CB 4.47Å; F208-I264 HydrophobicContact CD2-CD1 4.3Å; F208-I264 HydrophobicContact CD2-CG1 4.34Å; F208-I264 HydrophobicContact CE2-CB 4.21Å; F208-I264 HydrophobicContact CE2-CD1 3.82Å; F208-I264 HydrophobicContact CE2-CG1 3.69Å; F208-I264 HydrophobicContact CZ-CB 4.3Å; F208-I264 HydrophobicContact CZ-CD1 4.5Å; F208-I264 HydrophobicContact CZ-CG1 3.88Å
209R95.1Very high96.7Very high78 Ų7837.3 Ų37.329%0.29418%0.178SC..Hα-helixtrans-75-23-172.2-68.7172.860.8133.7-12.1114.3A205 E206 K211 P212 L213 F260 V261A205-R209 WeakPolarHBondContact O-CB 3.47Å; A205-R209 WeakPolarHBondContact O-CG 3.18Å; A205-R209 PolarHBondContact O-N 3.23Å; E206-R209 PolarHBondContact O-N 3.2Å; R209-K211 WeakPolarHBondContact CB-O 3.49Å; R209-K211 PolarHBondContact O-N 3.12Å; R209-K211 VanDerWaalsContact O-N 3.1Å; R209-P212 PolarHBondContact NH2-O 3.1Å; R209-L213 VanDerWaalsContact NH1-CD1 3.29Å; R209-F260 WeakPolarHBondContact CD-O 3.3Å; R209-F260 WeakPolarHBondContact CG-O 3.39Å; R209-F260 PolarHBondContact NH1-O 3.4Å; R209-V261 HydrophobicContact CG-CG2 4.39Å
210R93.8Very high96.5Very high123 Ų12340.7 Ų40.746%0.46419%0.194SC..SBendtrans56.914.6-167.7-58.5167.4-75.5171.4-7.6113.9P110 E206 F208P110-R210 PolarHBondContact O-NH1 3.36Å; P110-R210 PolarHBondContact O-NH2 2.96Å; P110-R210 VanDerWaalsContact O-NH2 3.13Å; E206-R210 VanDerWaalsContact O-CA 3.3Å; E206-R210 WeakPolarHBondContact O-CA 3.32Å; E206-R210 PolarHBondContact O-N 3.36Å; F208-R210 PolarHBondContact O-N 3.23Å
211K94.4Very high96.3Very high150 Ų15043.4 Ų43.465%0.65221%0.208SC*.SBendtrans-146.1147.3179.2-65.3-175.6-178.11790108.2R209R209-K211 WeakPolarHBondContact CB-O 3.49Å; R209-K211 PolarHBondContact O-N 3.12Å; R209-K211 VanDerWaalsContact O-N 3.1Å
212P97.3Very high96.2Very high18 Ų1843.4 Ų43.412%0.11721%0.208CC..  trans-57145.9-179.3-18.927.5000112.1W179 E206 R209W179-P212 HydrophobicContact CB-CB 4.47Å; W179-P212 HydrophobicContact CD2-CB 4.47Å; W179-P212 HydrophobicContact CD2-CG 4.37Å; W179-P212 HydrophobicContact CE3-CB 3.97Å; W179-P212 HydrophobicContact CE3-CG 3.47Å; W179-P212 VanDerWaalsContact CE3-CG 3.47Å; W179-P212 HydrophobicContact CZ3-CG 3.71Å; E206-P212 WeakPolarHBondContact OE2-CA 3.44Å; R209-P212 PolarHBondContact NH2-O 3.1Å
213L97.6Very high96.1Very high13 Ų1343.4 Ų43.47%0.06821%0.208CC..SBendtrans-68.5-43.7179.2177.958000111.2A205 R209 V229 F260 L276A205-L213 HydrophobicContact CB-CB 4.06Å; A205-L213 HydrophobicContact CB-CD1 4.35Å; A205-L213 HydrophobicContact CB-CD2 3.72Å; A205-L213 HydrophobicContact CB-CG 4.26Å; R209-L213 VanDerWaalsContact NH1-CD1 3.29Å; L213-V229 HydrophobicContact CD1-CG2 4.44Å; L213-F260 HydrophobicContact CD1-CB 4.16Å; L213-L276 HydrophobicContact CD2-CD1 3.69Å
214F97.3Very high95.9Very high2 Ų244.5 Ų44.51%0.00922%0.22CC..  trans-123.3106.7-177.1-52.5-64000110.5W179 W198 Q222 K225 I226 V229 L276W179-F214 VanDerWaalsContact CA-O 3.25Å; W179-F214 WeakPolarHBondContact CA-O 3.43Å; W179-F214 WeakPolarHBondContact CB-O 3.41Å; W179-F214 VanDerWaalsContact CG-O 3.3Å; W198-F214 AromaticContact CZ2-CE2 3.95Å; W198-F214 HydrophobicContact CZ2-CE2 3.95Å; W198-F214 HydrophobicContact CZ2-CZ 4.45Å; F214-Q222 PolarHBondContact O-OE1 3.5Å; F214-K225 HydrophobicContact CD1-CB 4.34Å; F214-K225 WeakPolarHBondContact CD1-O 3.2Å; F214-K225 WeakPolarHBondContact CE1-O 3.45Å; F214-I226 HydrophobicContact CD1-CG1 4.04Å; F214-I226 HydrophobicContact CD2-CG1 4.07Å; F214-I226 HydrophobicContact CE1-CB 4.39Å; F214-I226 HydrophobicContact CE1-CG1 4.17Å; F214-I226 HydrophobicContact CE2-CG1 4.22Å; F214-I226 HydrophobicContact CG-CG1 3.98Å; F214-I226 HydrophobicContact CZ-CG1 4.27Å; F214-V229 HydrophobicContact CD1-CG2 4.32Å; F214-V229 HydrophobicContact CE1-CB 3.72Å; F214-V229 HydrophobicContact CE1-CG1 4.38Å; F214-V229 HydrophobicContact CE1-CG2 3.43Å; F214-V229 VanDerWaalsContact CE1-CG2 3.43Å; F214-V229 HydrophobicContact CZ-CB 4.07Å; F214-V229 HydrophobicContact CZ-CG1 4.31Å; F214-V229 HydrophobicContact CZ-CG2 4.16Å; F214-L276 HydrophobicContact CE2-CD1 4.45Å; F214-L276 HydrophobicContact CE2-CD2 4.29Å; F214-L276 HydrophobicContact CZ-CD1 4.37Å
215C95.6Very high95.7Very high51 Ų5147.2 Ų47.235%0.34523%0.232SC..  trans-106.761.4-177.8-57.80000111.9K225C215-K225 PolarHBondContact O-NZ 3.31Å
216G95.3Very high95.6Very high3 Ų347.2 Ų47.23%0.03123%0.232CC..  trans-73.6148.1179.700000113.7W179 D221W179-G216 PolarHBondContact NE1-O 3.46Å; W179-G216 VanDerWaalsContact NE1-O 3.12Å; G216-D221 VanDerWaalsContact CA-OD2 3.23Å; G216-D221 WeakPolarHBondContact CA-OD2 2.92Å
217E92.8Very high95.5Very high180 Ų18046.7 Ų46.784%0.84123%0.229SC*.SBendtrans-100.3-16.8177.7-62.6-176.7173.100113.2D221E217-D221 PolarHBondContact N-OD2 2.96Å
218S93.4Very high95.2Very high56 Ų5651 Ų5139%0.39225%0.249SC..SBendtrans-141.9167.8173.167.60000110M220 D221 Q222S218-M220 VanDerWaalsContact C-N 3.28Å; S218-M220 PolarHBondContact O-N 2.98Å; S218-D221 PolarHBondContact O-N 3.13Å; S218-D221 WeakPolarHBondContact OG-CB 3.38Å; S218-D221 PolarHBondContact OG-N 3.13Å; S218-D221 VanDerWaalsContact OG-N 3.12Å; S218-Q222 VanDerWaalsContact O-CB 3.25Å; S218-Q222 WeakPolarHBondContact O-CB 3.42Å; S218-Q222 PolarHBondContact O-N 3.25Å
219E93Very high95Very high73 Ų7350.7 Ų50.734%0.34125%0.249SC..Hα-helixtrans-60.5-39177.7-62.7-178.4145.500111.9L178 R181 L186 L223L178-E219 HydrophobicContact CD2-CG 4.43Å; R181-E219 IonicContact NH1-OE1 2.87Å; L186-E219 HydrophobicContact CD2-CB 4.2Å; L186-E219 HydrophobicContact CD2-CG 4.08Å; E219-L223 WeakPolarHBondContact O-CG 3.12Å; E219-L223 PolarHBondContact O-N 3.44Å
220M94.1Very high94.9Very high77 Ų7748.7 Ų48.738%0.37924%0.243SC..Hα-helixtrans-68.2-43.3175.8-72.8-62.3-65.700112.5S218 L223 G224 V244 N248 F249S218-M220 VanDerWaalsContact C-N 3.28Å; S218-M220 PolarHBondContact O-N 2.98Å; M220-L223 PolarHBondContact O-N 2.72Å; M220-G224 PolarHBondContact O-N 3.1Å; M220-V244 HydrophobicContact CE-CG1 4.27Å; M220-V244 HydrophobicContact SD-CG1 3.69Å; M220-V244 HydrophobicContact SD-CG2 4.21Å; M220-N248 HydrophobicContact CE-CB 3.92Å; M220-F249 HydrophobicContact CE-CE1 3.94Å; M220-F249 HydrophobicContact CE-CE2 4.22Å; M220-F249 HydrophobicContact CE-CZ 3.58Å; M220-F249 HydrophobicContact SD-CZ 3.94Å
221D94.9Very high94.9Very high56 Ų5643.5 Ų43.530%0.29923%0.228SC..Hα-helixtrans-64.6-41.9176.1179.748000111.3G216 E217 S218 L223 G224 K225G216-D221 VanDerWaalsContact CA-OD2 3.23Å; G216-D221 WeakPolarHBondContact CA-OD2 2.92Å; E217-D221 PolarHBondContact N-OD2 2.96Å; S218-D221 PolarHBondContact O-N 3.13Å; S218-D221 WeakPolarHBondContact OG-CB 3.38Å; S218-D221 PolarHBondContact OG-N 3.13Å; S218-D221 VanDerWaalsContact OG-N 3.12Å; D221-L223 PolarHBondContact O-N 3.21Å; D221-G224 PolarHBondContact O-N 2.99Å; D221-K225 WeakPolarHBondContact O-CG 3.3Å; D221-K225 PolarHBondContact O-N 3.22Å; D221-K225 VanDerWaalsContact OD1-CE 3.25Å; D221-K225 WeakPolarHBondContact OD1-CE 3.33Å; D221-K225 IonicContact OD1-NZ 2.73Å; D221-K225 VanDerWaalsContact OD2-CE 3.24Å; D221-K225 WeakPolarHBondContact OD2-CE 3.41Å; D221-K225 IonicContact OD2-NZ 3.97Å; D221-K225 PolarHBondContact OD2-NZ 3.08Å; D221-K225 VanDerWaalsContact OD2-NZ 3.09Å
222Q96.9Very high94.9Very high0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-59.3-47.3175.4-177.368.118.600111.2L178 W179 L186 F214 S218 G224 K225 I226L178-Q222 HydrophobicContact CB-CG 4.4Å; L178-Q222 PolarHBondContact O-NE2 3.03Å; W179-Q222 PolarHBondContact O-NE2 3.21Å; L186-Q222 HydrophobicContact CD1-CB 4.12Å; L186-Q222 HydrophobicContact CD1-CG 3.48Å; L186-Q222 VanDerWaalsContact CD1-CG 3.48Å; L186-Q222 HydrophobicContact CD2-CB 4.47Å; L186-Q222 HydrophobicContact CD2-CG 4.2Å; F214-Q222 PolarHBondContact O-OE1 3.5Å; S218-Q222 VanDerWaalsContact O-CB 3.25Å; S218-Q222 WeakPolarHBondContact O-CB 3.42Å; S218-Q222 PolarHBondContact O-N 3.25Å; Q222-G224 VanDerWaalsContact C-N 3.34Å; Q222-G224 PolarHBondContact O-N 3.24Å; Q222-K225 PolarHBondContact O-N 3Å; Q222-I226 HydrophobicContact CG-CD1 4.18Å; Q222-I226 VanDerWaalsContact O-CG1 3.25Å; Q222-I226 WeakPolarHBondContact O-CG1 3.4Å; Q222-I226 PolarHBondContact O-N 3.44Å
223L96.1Very high94.8Very high1 Ų137.2 Ų37.21%0.00520%0.201CC..Hα-helixtrans-59.5-42.5174.6-77.1168.4000112.1P183 L186 L187 E219 M220 D221 K225 I226 F227 V244 F249P183-L223 HydrophobicContact CB-CD2 4.17Å; L186-L223 HydrophobicContact CB-CD1 4.21Å; L186-L223 HydrophobicContact CB-CD2 4.01Å; L186-L223 HydrophobicContact CB-CG 3.97Å; L186-L223 HydrophobicContact CD1-CD2 4.03Å; L186-L223 HydrophobicContact CD1-CG 4.07Å; L187-L223 HydrophobicContact CD2-CD1 3.77Å; L187-L223 HydrophobicContact CD2-CD2 4.5Å; L187-L223 HydrophobicContact CG-CD1 4.31Å; L187-L223 HydrophobicContact CG-CD2 4.35Å; E219-L223 WeakPolarHBondContact O-CG 3.12Å; E219-L223 PolarHBondContact O-N 3.44Å; M220-L223 PolarHBondContact O-N 2.72Å; D221-L223 PolarHBondContact O-N 3.21Å; L223-K225 PolarHBondContact O-N 3.43Å; L223-I226 WeakPolarHBondContact O-CB 3.5Å; L223-I226 PolarHBondContact O-N 2.8Å; L223-F227 HydrophobicContact CB-CE2 4.04Å; L223-F227 HydrophobicContact CB-CZ 4.47Å; L223-F227 HydrophobicContact CD2-CE2 4.38Å; L223-F227 HydrophobicContact CD2-CZ 3.98Å; L223-F227 WeakPolarHBondContact O-CD2 3.15Å; L223-F227 VanDerWaalsContact O-CG 3.29Å; L223-F227 WeakPolarHBondContact O-CG 3.3Å; L223-F227 PolarHBondContact O-N 3.09Å; L223-V244 HydrophobicContact CD1-CG1 4.39Å; L223-F249 HydrophobicContact CB-CE1 3.56Å; L223-F249 HydrophobicContact CB-CZ 3.56Å; L223-F249 HydrophobicContact CD1-CE2 4.48Å; L223-F249 HydrophobicContact CD1-CZ 3.75Å; L223-F249 HydrophobicContact CG-CZ 4.28Å
224G94.8Very high94.5Very high24 Ų2438.6 Ų38.625%0.24721%0.212CC..Hα-helixtrans-56.9-49.8175.300000112.5M220 D221 Q222 I226 F227 E228M220-G224 PolarHBondContact O-N 3.1Å; D221-G224 PolarHBondContact O-N 2.99Å; Q222-G224 VanDerWaalsContact C-N 3.34Å; Q222-G224 PolarHBondContact O-N 3.24Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 2.73Å; G224-F227 PolarHBondContact O-N 3.21Å; G224-F227 VanDerWaalsContact O-N 3.16Å; G224-E228 PolarHBondContact O-N 3.35Å
225K94.9Very high94.2Very high57 Ų5745.8 Ų45.825%0.24825%0.245CC..Hα-helixtrans-63.2-33.8177.8-68.5179.9-170.8-179.10112.8F214 C215 D221 Q222 L223F214-K225 HydrophobicContact CD1-CB 4.34Å; F214-K225 WeakPolarHBondContact CD1-O 3.2Å; F214-K225 WeakPolarHBondContact CE1-O 3.45Å; C215-K225 PolarHBondContact O-NZ 3.31Å; D221-K225 WeakPolarHBondContact O-CG 3.3Å; D221-K225 PolarHBondContact O-N 3.22Å; D221-K225 VanDerWaalsContact OD1-CE 3.25Å; D221-K225 WeakPolarHBondContact OD1-CE 3.33Å; D221-K225 IonicContact OD1-NZ 2.73Å; D221-K225 VanDerWaalsContact OD2-CE 3.24Å; D221-K225 WeakPolarHBondContact OD2-CE 3.41Å; D221-K225 IonicContact OD2-NZ 3.97Å; D221-K225 PolarHBondContact OD2-NZ 3.08Å; D221-K225 VanDerWaalsContact OD2-NZ 3.09Å; Q222-K225 PolarHBondContact O-N 3Å; L223-K225 PolarHBondContact O-N 3.43Å
226I96.2Very high94Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-61.6-51.1173.1-70.8169000110.2P183 L186 W198 F214 Q222 L223 G224 E228 V229 I230P183-I226 HydrophobicContact CG-CD1 4.46Å; P183-I226 HydrophobicContact CG-CG2 4.31Å; L186-I226 HydrophobicContact CD1-CD1 3.72Å; W198-I226 HydrophobicContact CH2-CG2 3.45Å; W198-I226 VanDerWaalsContact CH2-CG2 3.45Å; W198-I226 HydrophobicContact CZ2-CB 4.36Å; W198-I226 HydrophobicContact CZ2-CD1 3.74Å; W198-I226 HydrophobicContact CZ2-CG1 3.84Å; W198-I226 HydrophobicContact CZ2-CG2 3.61Å; F214-I226 HydrophobicContact CD1-CG1 4.04Å; F214-I226 HydrophobicContact CD2-CG1 4.07Å; F214-I226 HydrophobicContact CE1-CB 4.39Å; F214-I226 HydrophobicContact CE1-CG1 4.17Å; F214-I226 HydrophobicContact CE2-CG1 4.22Å; F214-I226 HydrophobicContact CG-CG1 3.98Å; F214-I226 HydrophobicContact CZ-CG1 4.27Å; Q222-I226 HydrophobicContact CG-CD1 4.18Å; Q222-I226 VanDerWaalsContact O-CG1 3.25Å; Q222-I226 WeakPolarHBondContact O-CG1 3.4Å; Q222-I226 PolarHBondContact O-N 3.44Å; L223-I226 WeakPolarHBondContact O-CB 3.5Å; L223-I226 PolarHBondContact O-N 2.8Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 2.73Å; I226-E228 VanDerWaalsContact C-N 3.26Å; I226-E228 PolarHBondContact O-N 3.48Å; I226-V229 PolarHBondContact O-N 2.91Å; I226-I230 HydrophobicContact CG2-CD1 3.81Å; I226-I230 HydrophobicContact CG2-CG1 3.83Å; I226-I230 WeakPolarHBondContact O-CG1 3.31Å; I226-I230 PolarHBondContact O-N 3.24Å
227F95.2Very high93.8Very high4 Ų452.5 Ų52.52%0.01828%0.275CS..Hα-helixtrans-68.2-23.4-177.1-57.3-36.4000113.5L223 G224 V229 I230 G231 L232 P233 W238 F249 P252 F278L223-F227 HydrophobicContact CB-CE2 4.04Å; L223-F227 HydrophobicContact CB-CZ 4.47Å; L223-F227 HydrophobicContact CD2-CE2 4.38Å; L223-F227 HydrophobicContact CD2-CZ 3.98Å; L223-F227 WeakPolarHBondContact O-CD2 3.15Å; L223-F227 VanDerWaalsContact O-CG 3.29Å; L223-F227 WeakPolarHBondContact O-CG 3.3Å; L223-F227 PolarHBondContact O-N 3.09Å; G224-F227 PolarHBondContact O-N 3.21Å; G224-F227 VanDerWaalsContact O-N 3.16Å; F227-V229 PolarHBondContact O-N 2.98Å; F227-I230 HydrophobicContact CD1-CD1 4.45Å; F227-I230 HydrophobicContact CD1-CG1 4.35Å; F227-G231 WeakPolarHBondContact CD1-O 3.11Å; F227-G231 CarbonylContact O-C 3.42Å; F227-G231 WeakPolarHBondContact O-CA 3.38Å; F227-G231 PolarHBondContact O-N 3.25Å; F227-L232 HydrophobicContact CD2-CD1 3.72Å; F227-L232 HydrophobicContact CE2-CD1 3.96Å; F227-L232 HydrophobicContact CG-CD1 4.06Å; F227-L232 HydrophobicContact CZ-CD1 4.48Å; F227-P233 HydrophobicContact CD1-CG 4.41Å; F227-P233 HydrophobicContact CE1-CG 3.9Å; F227-W238 HydrophobicContact CE1-CZ3 4.4Å; F227-W238 AromaticContact CE2-CH2 3.91Å; F227-W238 HydrophobicContact CE2-CH2 3.91Å; F227-W238 HydrophobicContact CE2-CZ3 4.06Å; F227-W238 AromaticContact CZ-CH2 3.7Å; F227-W238 HydrophobicContact CZ-CH2 3.7Å; F227-W238 AromaticContact CZ-CZ3 3.61Å; F227-W238 HydrophobicContact CZ-CZ3 3.61Å; F227-F249 HydrophobicContact CD2-CB 4.12Å; F227-F249 AromaticContact CD2-CD1 3.71Å; F227-F249 HydrophobicContact CD2-CD1 3.71Å; F227-F249 HydrophobicContact CD2-CD2 4.24Å; F227-F249 HydrophobicContact CD2-CE1 4.2Å; F227-F249 AromaticContact CD2-CG 3.74Å; F227-F249 HydrophobicContact CD2-CG 3.74Å; F227-F249 HydrophobicContact CE2-CB 4.43Å; F227-F249 AromaticContact CE2-CD1 3.82Å; F227-F249 HydrophobicContact CE2-CD1 3.82Å; F227-F249 AromaticContact CE2-CD2 3.72Å; F227-F249 HydrophobicContact CE2-CD2 3.72Å; F227-F249 AromaticContact CE2-CE1 3.95Å; F227-F249 HydrophobicContact CE2-CE1 3.95Å; F227-F249 AromaticContact CE2-CE2 3.86Å; F227-F249 HydrophobicContact CE2-CE2 3.86Å; F227-F249 AromaticContact CE2-CG 3.7Å; F227-F249 HydrophobicContact CE2-CG 3.7Å; F227-F249 AromaticContact CE2-CZ 3.98Å; F227-F249 HydrophobicContact CE2-CZ 3.98Å; F227-P252 HydrophobicContact CB-CG 4.33Å; F227-P252 WeakPolarHBondContact O-CG 3.45Å; F227-F278 AromaticContact CE1-CD2 3.96Å; F227-F278 HydrophobicContact CE1-CD2 3.96Å; F227-F278 AromaticContact CE1-CE2 3.84Å; F227-F278 HydrophobicContact CE1-CE2 3.84Å; F227-F278 HydrophobicContact CZ-CE2 4.07Å
228E92.4Very high93.9Very high92 Ų9245.2 Ų45.243%0.4324%0.24SC..Hα-helixtrans-60.9-27169-72.8-175.3-161.900113.8G224 I226 R255G224-E228 PolarHBondContact O-N 3.35Å; I226-E228 VanDerWaalsContact C-N 3.26Å; I226-E228 PolarHBondContact O-N 3.48Å; E228-R255 IonicContact OE2-NH2 2.7Å; E228-R255 PolarHBondContact OE2-NH2 3.11Å; E228-R255 VanDerWaalsContact OE2-NH2 3.16Å
229V93.9Very high93.8Very high7 Ų744.2 Ų44.24%0.04223%0.232CC..Hα-helixtrans-96.3-53-179.1176.70000110.9L213 F214 I226 F227 I257 F260L213-V229 HydrophobicContact CD1-CG2 4.44Å; F214-V229 HydrophobicContact CD1-CG2 4.32Å; F214-V229 HydrophobicContact CE1-CB 3.72Å; F214-V229 HydrophobicContact CE1-CG1 4.38Å; F214-V229 HydrophobicContact CE1-CG2 3.43Å; F214-V229 VanDerWaalsContact CE1-CG2 3.43Å; F214-V229 HydrophobicContact CZ-CB 4.07Å; F214-V229 HydrophobicContact CZ-CG1 4.31Å; F214-V229 HydrophobicContact CZ-CG2 4.16Å; I226-V229 PolarHBondContact O-N 2.91Å; F227-V229 PolarHBondContact O-N 2.98Å; V229-I257 HydrophobicContact CG1-CD1 3.43Å; V229-I257 VanDerWaalsContact CG1-CD1 3.43Å; V229-F260 HydrophobicContact CB-CE2 4.2Å; V229-F260 HydrophobicContact CB-CZ 4.32Å; V229-F260 HydrophobicContact CG1-CD2 4.27Å; V229-F260 HydrophobicContact CG1-CE2 4.3Å; V229-F260 HydrophobicContact CG2-CD1 3.93Å; V229-F260 HydrophobicContact CG2-CD2 4.02Å; V229-F260 HydrophobicContact CG2-CE1 3.66Å; V229-F260 HydrophobicContact CG2-CE2 3.75Å; V229-F260 HydrophobicContact CG2-CG 4.07Å; V229-F260 HydrophobicContact CG2-CZ 3.53Å
230I94.1Very high93.6Very high36 Ų3647.8 Ų47.819%0.18526%0.259CS..Hα-helixtrans-91-6.9-171.867.6157.2000113.7W198 I226 F227 M273 L276 F278W198-I230 HydrophobicContact CH2-CD1 3.99Å; W198-I230 HydrophobicContact CZ3-CD1 4.3Å; I226-I230 HydrophobicContact CG2-CD1 3.81Å; I226-I230 HydrophobicContact CG2-CG1 3.83Å; I226-I230 WeakPolarHBondContact O-CG1 3.31Å; I226-I230 PolarHBondContact O-N 3.24Å; F227-I230 HydrophobicContact CD1-CD1 4.45Å; F227-I230 HydrophobicContact CD1-CG1 4.35Å; I230-M273 HydrophobicContact CB-CE 4.44Å; I230-M273 HydrophobicContact CG2-CE 4.19Å; I230-L276 HydrophobicContact CG2-CB 3.97Å; I230-L276 WeakPolarHBondContact CG2-O 3.46Å; I230-F278 HydrophobicContact CD1-CB 3.92Å; I230-F278 HydrophobicContact CD1-CD2 4.39Å
231G93.7Very high93.3Very high13 Ų1349.1 Ų49.113%0.13427%0.268CS..  trans84.6163.5-168.800000112.5F227 P233F227-G231 WeakPolarHBondContact CD1-O 3.11Å; F227-G231 CarbonylContact O-C 3.42Å; F227-G231 WeakPolarHBondContact O-CA 3.38Å; F227-G231 PolarHBondContact O-N 3.25Å; G231-P233 WeakPolarHBondContact O-CD 3.32Å
232L94.2Very high93Very high29 Ų2947.6 Ų47.615%0.15226%0.26CS..PPolyproline II helixtrans-79.4123.6171.1-176.567.6000108.4F227 W238 R246 F249 P252F227-L232 HydrophobicContact CD2-CD1 3.72Å; F227-L232 HydrophobicContact CE2-CD1 3.96Å; F227-L232 HydrophobicContact CG-CD1 4.06Å; F227-L232 HydrophobicContact CZ-CD1 4.48Å; L232-W238 HydrophobicContact CD1-CZ3 4.3Å; L232-R246 HydrophobicContact CD1-CG 4.39Å; L232-R246 HydrophobicContact CD2-CG 4.37Å; L232-R246 HydrophobicContact CG-CG 4.43Å; L232-F249 HydrophobicContact CD1-CB 3.64Å; L232-F249 HydrophobicContact CD1-CD2 4.44Å; L232-F249 HydrophobicContact CD1-CG 4.28Å; L232-F249 HydrophobicContact CD2-CB 4.45Å; L232-P252 VanDerWaalsContact CB-CD 3.42Å; L232-P252 HydrophobicContact CB-CG 4.07Å
233P93.6Very high92.7Very high8 Ų853.2 Ų53.25%0.05230%0.295CS..PPolyproline II helixtrans-54.6154.8176.6-23.532.9000111.5F227 G231 E237 W238 R246 F278F227-P233 HydrophobicContact CD1-CG 4.41Å; F227-P233 HydrophobicContact CE1-CG 3.9Å; G231-P233 WeakPolarHBondContact O-CD 3.32Å; P233-E237 HydrophobicContact CB-CB 4.17Å; P233-W238 HydrophobicContact CB-CE3 4.35Å; P233-W238 HydrophobicContact CG-CE3 4.38Å; P233-W238 HydrophobicContact CG-CZ3 4.3Å; P233-R246 PolarHBondContact O-NE 3.03Å; P233-R246 PolarHBondContact O-NH2 2.7Å; P233-F278 HydrophobicContact CB-CD1 3.67Å; P233-F278 HydrophobicContact CB-CD2 4.48Å; P233-F278 HydrophobicContact CB-CE1 3.86Å; P233-F278 HydrophobicContact CB-CG 4.01Å; P233-F278 HydrophobicContact CB-CZ 4.34Å; P233-F278 HydrophobicContact CG-CB 3.93Å; P233-F278 HydrophobicContact CG-CD1 3.46Å; P233-F278 VanDerWaalsContact CG-CD1 3.46Å; P233-F278 HydrophobicContact CG-CD2 3.4Å; P233-F278 HydrophobicContact CG-CE1 3.7Å; P233-F278 HydrophobicContact CG-CE2 3.63Å; P233-F278 HydrophobicContact CG-CG 3.3Å; P233-F278 HydrophobicContact CG-CZ 3.79Å
234S91.9Very high92.6Very high42 Ų4254.3 Ų54.329%0.29430%0.301SS..PPolyproline II helixtrans-69.7170.9174.358.40000111.4D236 E237 W238S234-D236 VanDerWaalsContact C-N 3.31Å; S234-D236 WeakPolarHBondContact CB-OD1 3.34Å; S234-D236 VanDerWaalsContact OG-CG 3.28Å; S234-D236 PolarHBondContact OG-OD1 2.87Å; S234-E237 PolarHBondContact O-N 2.71Å; S234-E237 WeakPolarHBondContact OG-CG 3.4Å; S234-W238 PolarHBondContact O-N 3.23Å
235E91.2Very high92.5Very high152 Ų15257.7 Ų57.771%0.7131%0.311SS*.THydrogen-bonded Turntrans-66.9-33.6179.2-70.5-173.5171.700112.5E237 W238 R246E235-E237 VanDerWaalsContact C-N 3.33Å; E235-W238 PolarHBondContact O-N 3.18Å; E235-R246 IonicContact OE1-NH1 2.71Å
236D92.3Very high92.4Very high136 Ų13658.2 Ų58.273%0.72731%0.311SS*.THydrogen-bonded Turntrans-71.5-25.1177.958.7-64000113.4S234S234-D236 VanDerWaalsContact C-N 3.31Å; S234-D236 WeakPolarHBondContact CB-OD1 3.34Å; S234-D236 VanDerWaalsContact OG-CG 3.28Å; S234-D236 PolarHBondContact OG-OD1 2.87Å
237E91.1Very high92.2Very high59 Ų5965.7 Ų65.728%0.27634%0.344SS..THydrogen-bonded Turntrans-85.2-13.9174.5-67.8-171.4128.800112.7P233 S234 E235 F278 K282P233-E237 HydrophobicContact CB-CB 4.17Å; S234-E237 PolarHBondContact O-N 2.71Å; S234-E237 WeakPolarHBondContact OG-CG 3.4Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E237-F278 HydrophobicContact CB-CD1 4.47Å; E237-F278 WeakPolarHBondContact O-CE1 3.48Å; E237-K282 IonicContact OE1-NZ 3.75Å; E237-K282 PolarHBondContact OE1-NZ 2.96Å
238W94.4Very high92.1Very high27 Ų2769.6 Ų69.610%0.10237%0.365CS..SBendtrans-76.8130.1-176.7-159.5-91.6000111.3L187 F227 L232 P233 S234 E235 V244 R246 F249 F278L187-W238 HydrophobicContact CD1-CZ2 4.36Å; L187-W238 HydrophobicContact CD2-CH2 4.27Å; L187-W238 HydrophobicContact CD2-CZ2 3.8Å; F227-W238 HydrophobicContact CE1-CZ3 4.4Å; F227-W238 AromaticContact CE2-CH2 3.91Å; F227-W238 HydrophobicContact CE2-CH2 3.91Å; F227-W238 HydrophobicContact CE2-CZ3 4.06Å; F227-W238 AromaticContact CZ-CH2 3.7Å; F227-W238 HydrophobicContact CZ-CH2 3.7Å; F227-W238 AromaticContact CZ-CZ3 3.61Å; F227-W238 HydrophobicContact CZ-CZ3 3.61Å; L232-W238 HydrophobicContact CD1-CZ3 4.3Å; P233-W238 HydrophobicContact CB-CE3 4.35Å; P233-W238 HydrophobicContact CG-CE3 4.38Å; P233-W238 HydrophobicContact CG-CZ3 4.3Å; S234-W238 PolarHBondContact O-N 3.23Å; E235-W238 PolarHBondContact O-N 3.18Å; W238-V244 HydrophobicContact CZ2-CG1 4.43Å; W238-V244 PolarHBondContact NE1-O 3.41Å; W238-V244 VanDerWaalsContact NE1-O 3.08Å; W238-R246 HydrophobicContact CD2-CB 3.6Å; W238-R246 HydrophobicContact CD2-CG 3.98Å; W238-R246 HydrophobicContact CE3-CB 3.94Å; W238-R246 HydrophobicContact CE3-CG 3.79Å; W238-R246 HydrophobicContact CG-CB 3.88Å; W238-R246 HydrophobicContact CG-CG 4.42Å; W238-R246 HydrophobicContact CZ2-CB 4.3Å; W238-R246 HydrophobicContact CZ3-CB 4.41Å; W238-R246 HydrophobicContact CZ3-CG 4.2Å; W238-F249 AromaticContact CH2-CD2 3.91Å; W238-F249 HydrophobicContact CH2-CD2 3.91Å; W238-F249 AromaticContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CZ2-CD2 4.49Å; W238-F249 HydrophobicContact CZ2-CE2 4.15Å; W238-F278 HydrophobicContact CE3-CE1 4.47Å; W238-F278 AromaticContact CE3-CZ 3.96Å; W238-F278 HydrophobicContact CE3-CZ 3.96Å; W238-F278 HydrophobicContact CZ3-CE2 4.35Å; W238-F278 HydrophobicContact CZ3-CZ 4.03Å
239P91.4Very high92.1Very high35 Ų3566 Ų6623%0.22735%0.348CS..  trans-60.6140.5179.4-22.332.5000112.2L187 D241 V242L187-P239 HydrophobicContact CD1-CG 4.33Å; P239-D241 WeakPolarHBondContact CB-OD1 3.37Å; P239-V242 HydrophobicContact CB-CG1 3.74Å; P239-V242 HydrophobicContact CB-CG2 4.09Å; P239-V242 HydrophobicContact CG-CG1 4.31Å; P239-V242 WeakPolarHBondContact O-CG2 3.47Å
240T88.8Confident91.7Very high148 Ų14870.5 Ų70.591%0.90838%0.377SS*.THydrogen-bonded Turntrans-85.1-16.4179.854.90000113.4
241D86.4Confident90.8Very high105 Ų10574.2 Ų74.256%0.56140%0.404SS*.THydrogen-bonded Turntrans-98.612.7-172.564.9-31.7000113.7P239P239-D241 WeakPolarHBondContact CB-OD1 3.37Å
242V90.1Very high89.8Confident24 Ų2475.4 Ų75.415%0.14541%0.409CS..  trans-109.7147.9-175.6-58.30000112.4L187 P239L187-V242 HydrophobicContact CB-CB 4.35Å; L187-V242 HydrophobicContact CB-CG1 3.94Å; L187-V242 WeakPolarHBondContact O-CG1 3.26Å; P239-V242 HydrophobicContact CB-CG1 3.74Å; P239-V242 HydrophobicContact CB-CG2 4.09Å; P239-V242 HydrophobicContact CG-CG1 4.31Å; P239-V242 WeakPolarHBondContact O-CG2 3.47Å
243T90.8Very high88.6Confident118 Ų11883.1 Ų83.172%0.72444%0.441SS*.SBendtrans-79.2-29.6-179.9550000112.8Q245T243-Q245 PolarHBondContact O-N 2.82Å
244V92.6Very high87.4Confident24 Ų2486.7 Ų86.715%0.14547%0.472CS..SBendtrans-75.2115.5178.6179.80000109.2L187 M220 L223 W238 F249L187-V244 HydrophobicContact CD2-CB 3.65Å; L187-V244 HydrophobicContact CD2-CG1 3.87Å; L187-V244 HydrophobicContact CD2-CG2 4.28Å; M220-V244 HydrophobicContact CE-CG1 4.27Å; M220-V244 HydrophobicContact SD-CG1 3.69Å; M220-V244 HydrophobicContact SD-CG2 4.21Å; L223-V244 HydrophobicContact CD1-CG1 4.39Å; W238-V244 HydrophobicContact CZ2-CG1 4.43Å; W238-V244 PolarHBondContact NE1-O 3.41Å; W238-V244 VanDerWaalsContact NE1-O 3.08Å; V244-F249 HydrophobicContact CG1-CE2 3.69Å; V244-F249 HydrophobicContact CG1-CZ 3.99Å
245Q92.8Very high87Confident96 Ų9689.7 Ų89.745%0.44948%0.477SS..  trans-85.5136.5-177.4-60.2-176.129.900110.9T243 K247 N248T243-Q245 PolarHBondContact O-N 2.82Å; Q245-K247 HydrophobicContact CB-CG 4.06Å; Q245-K247 PolarHBondContact O-N 3.37Å; Q245-K247 VanDerWaalsContact O-N 3.12Å; Q245-N248 VanDerWaalsContact O-CB 3.23Å; Q245-N248 WeakPolarHBondContact O-CB 3.48Å; Q245-N248 PolarHBondContact O-N 3Å
246R93.8Very high86.9Confident67 Ų6786 Ų8625%0.25347%0.466SS..G310 helixtrans-48.5-40.2175.6-172.9-175.8171-83.1-10.1113.4L232 P233 E235 W238 N248 F249L232-R246 HydrophobicContact CD1-CG 4.39Å; L232-R246 HydrophobicContact CD2-CG 4.37Å; L232-R246 HydrophobicContact CG-CG 4.43Å; P233-R246 PolarHBondContact O-NE 3.03Å; P233-R246 PolarHBondContact O-NH2 2.7Å; E235-R246 IonicContact OE1-NH1 2.71Å; W238-R246 HydrophobicContact CD2-CB 3.6Å; W238-R246 HydrophobicContact CD2-CG 3.98Å; W238-R246 HydrophobicContact CE3-CB 3.94Å; W238-R246 HydrophobicContact CE3-CG 3.79Å; W238-R246 HydrophobicContact CG-CB 3.88Å; W238-R246 HydrophobicContact CG-CG 4.42Å; W238-R246 HydrophobicContact CZ2-CB 4.3Å; W238-R246 HydrophobicContact CZ3-CB 4.41Å; W238-R246 HydrophobicContact CZ3-CG 4.2Å; R246-N248 PolarHBondContact O-N 2.71Å; R246-N248 VanDerWaalsContact O-N 3.08Å; R246-F249 PolarHBondContact O-N 3.09Å; R246-F249 VanDerWaalsContact O-N 3.09Å
247K92.1Very high87Confident158 Ų15880.2 Ų80.269%0.68744%0.435SS*.G310 helixtrans-62.3-14.5-179.177.4-169.7-166.7-161.40114.5Q245 F249Q245-K247 HydrophobicContact CB-CG 4.06Å; Q245-K247 PolarHBondContact O-N 3.37Å; Q245-K247 VanDerWaalsContact O-N 3.12Å; K247-F249 PolarHBondContact O-N 2.85Å
248N92.4Very high87.2Confident86 Ų8680.4 Ų80.446%0.4644%0.44SS..G310 helixtrans-70.9-13.8175.9-64.9-5.8000112.2M220 Q245 R246M220-N248 HydrophobicContact CE-CB 3.92Å; Q245-N248 VanDerWaalsContact O-CB 3.23Å; Q245-N248 WeakPolarHBondContact O-CB 3.48Å; Q245-N248 PolarHBondContact O-N 3Å; R246-N248 PolarHBondContact O-N 2.71Å; R246-N248 VanDerWaalsContact O-N 3.08Å
249F92.2Very high87.2Confident15 Ų1583.7 Ų83.77%0.06646%0.46CS..SBendtrans-107.8128.1-179.8-58.3-80.3000110.1M220 L223 F227 L232 W238 V244 R246 K247M220-F249 HydrophobicContact CE-CE1 3.94Å; M220-F249 HydrophobicContact CE-CE2 4.22Å; M220-F249 HydrophobicContact CE-CZ 3.58Å; M220-F249 HydrophobicContact SD-CZ 3.94Å; L223-F249 HydrophobicContact CB-CE1 3.56Å; L223-F249 HydrophobicContact CB-CZ 3.56Å; L223-F249 HydrophobicContact CD1-CE2 4.48Å; L223-F249 HydrophobicContact CD1-CZ 3.75Å; L223-F249 HydrophobicContact CG-CZ 4.28Å; F227-F249 HydrophobicContact CD2-CB 4.12Å; F227-F249 AromaticContact CD2-CD1 3.71Å; F227-F249 HydrophobicContact CD2-CD1 3.71Å; F227-F249 HydrophobicContact CD2-CD2 4.24Å; F227-F249 HydrophobicContact CD2-CE1 4.2Å; F227-F249 AromaticContact CD2-CG 3.74Å; F227-F249 HydrophobicContact CD2-CG 3.74Å; F227-F249 HydrophobicContact CE2-CB 4.43Å; F227-F249 AromaticContact CE2-CD1 3.82Å; F227-F249 HydrophobicContact CE2-CD1 3.82Å; F227-F249 AromaticContact CE2-CD2 3.72Å; F227-F249 HydrophobicContact CE2-CD2 3.72Å; F227-F249 AromaticContact CE2-CE1 3.95Å; F227-F249 HydrophobicContact CE2-CE1 3.95Å; F227-F249 AromaticContact CE2-CE2 3.86Å; F227-F249 HydrophobicContact CE2-CE2 3.86Å; F227-F249 AromaticContact CE2-CG 3.7Å; F227-F249 HydrophobicContact CE2-CG 3.7Å; F227-F249 AromaticContact CE2-CZ 3.98Å; F227-F249 HydrophobicContact CE2-CZ 3.98Å; L232-F249 HydrophobicContact CD1-CB 3.64Å; L232-F249 HydrophobicContact CD1-CD2 4.44Å; L232-F249 HydrophobicContact CD1-CG 4.28Å; L232-F249 HydrophobicContact CD2-CB 4.45Å; W238-F249 AromaticContact CH2-CD2 3.91Å; W238-F249 HydrophobicContact CH2-CD2 3.91Å; W238-F249 AromaticContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CZ2-CD2 4.49Å; W238-F249 HydrophobicContact CZ2-CE2 4.15Å; V244-F249 HydrophobicContact CG1-CE2 3.69Å; V244-F249 HydrophobicContact CG1-CZ 3.99Å; R246-F249 PolarHBondContact O-N 3.09Å; R246-F249 VanDerWaalsContact O-N 3.09Å; K247-F249 PolarHBondContact O-N 2.85Å
250P85.7Confident87.4Confident102 Ų10283.3 Ų83.366%0.66245%0.454SS*.  trans-66.4146.5173.329.4-33.5000109.5P252P250-P252 WeakPolarHBondContact O-CD 3.48Å
251P76.3Confident87.8Confident114 Ų11476.2 Ų76.274%0.7441%0.411SS*.  trans-62.8112.1174.224.6-31.2000109.1
252P71.9Confident88.2Confident38 Ų3876.2 Ų76.225%0.24742%0.417CS..  trans-72.6150.7-176.829.9-32.6000109.6F227 L232 P250 A254F227-P252 HydrophobicContact CB-CG 4.33Å; F227-P252 WeakPolarHBondContact O-CG 3.45Å; L232-P252 VanDerWaalsContact CB-CD 3.42Å; L232-P252 HydrophobicContact CB-CG 4.07Å; P250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-A254 PolarHBondContact O-N 3.18Å; P252-A254 VanDerWaalsContact O-N 3.15Å
253K69.8Low88.4Confident191 Ų19180.2 Ų80.283%0.8343%0.434SS*.  trans-72.3105162.6-68.2-177.7-179.7179.60106.9R255K253-R255 PolarHBondContact O-N 3.01Å
254A68.1Low88.7Confident84 Ų8475.1 Ų75.169%0.69440%0.402SS*.  trans-53.9129.7176.400000109.7P252P252-A254 PolarHBondContact O-N 3.18Å; P252-A254 VanDerWaalsContact O-N 3.15Å
255R83.3Confident88.8Confident104 Ų10477 Ų7739%0.39241%0.412SS..  trans-114.4142.5175.7-76.8-176-70.8-177.2-4.6109.3E228 K253 F260E228-R255 IonicContact OE2-NH2 2.7Å; E228-R255 PolarHBondContact OE2-NH2 3.11Å; E228-R255 VanDerWaalsContact OE2-NH2 3.16Å; K253-R255 PolarHBondContact O-N 3.01Å; R255-F260 HydrophobicContact CB-CE2 3.67Å; R255-F260 HydrophobicContact CB-CZ 4.16Å; R255-F260 VanDerWaalsContact NE-CZ 3.27Å; R255-F260 VanDerWaalsContact NH2-CE1 3.32Å
256P89.5Confident89Confident76 Ų7680.2 Ų80.249%0.49443%0.426SS..  trans-54141.1170.1-24.534.5000111.1T258 D259P256-T258 WeakPolarHBondContact CB-OG1 3.46Å; P256-T258 PolarHBondContact O-N 3.17Å; P256-T258 VanDerWaalsContact O-N 3.1Å; P256-D259 WeakPolarHBondContact O-CB 3.14Å; P256-D259 PolarHBondContact O-N 2.96Å
257I93.9Very high89.1Confident14 Ų1478.9 Ų78.97%0.07242%0.423CS..Hα-helixtrans-59.2-25.9177.5-17060.8000112.3V229 D259 F260 V261 A269 L272 M273V229-I257 HydrophobicContact CG1-CD1 3.43Å; V229-I257 VanDerWaalsContact CG1-CD1 3.43Å; I257-D259 PolarHBondContact O-N 3.14Å; I257-F260 HydrophobicContact CD1-CB 4.44Å; I257-F260 CarbonylContact O-C 3.58Å; I257-F260 WeakPolarHBondContact O-CA 3.44Å; I257-F260 WeakPolarHBondContact O-CB 3.33Å; I257-F260 PolarHBondContact O-N 3.43Å; I257-V261 HydrophobicContact CD1-CG2 4.45Å; I257-V261 HydrophobicContact CG1-CG2 4.44Å; I257-V261 PolarHBondContact O-N 3.36Å; I257-A269 HydrophobicContact CG2-CB 3.58Å; I257-L272 HydrophobicContact CD1-CD2 3.96Å; I257-L272 HydrophobicContact CG1-CD2 3.58Å; I257-L272 HydrophobicContact CG1-CG 4.22Å; I257-M273 HydrophobicContact CB-CG 4.26Å; I257-M273 HydrophobicContact CB-SD 3.84Å; I257-M273 HydrophobicContact CD1-SD 4.16Å; I257-M273 HydrophobicContact CG1-SD 4.03Å; I257-M273 HydrophobicContact CG2-CG 4.14Å; I257-M273 HydrophobicContact CG2-SD 4.38Å
258T95.1Very high89.4Confident62 Ų6271.4 Ų71.438%0.3839%0.39SS..Hα-helixtrans-63.9-23.6174.950.20000113.4P256 F260 V261 P262 I264P256-T258 WeakPolarHBondContact CB-OG1 3.46Å; P256-T258 PolarHBondContact O-N 3.17Å; P256-T258 VanDerWaalsContact O-N 3.1Å; T258-F260 PolarHBondContact O-N 3.4Å; T258-V261 CarbonylContact O-C 3.46Å; T258-P262 WeakPolarHBondContact O-CA 3.48Å; T258-I264 HydrophobicContact CG2-CG2 4.4Å
259D94.4Very high89.7Confident97 Ų9767.9 Ų67.952%0.51937%0.373SS..Hα-helixtrans-66.8-27.8172.2-68.55000111.1P256 I257P256-D259 WeakPolarHBondContact O-CB 3.14Å; P256-D259 PolarHBondContact O-N 2.96Å; I257-D259 PolarHBondContact O-N 3.14Å
260F95.5Very high90Very high26 Ų2671.7 Ų71.711%0.11439%0.391CS..Hα-helixtrans-97.3-25.6-179.3-60.8-82.5000112.9R209 L213 V229 R255 I257 T258R209-F260 WeakPolarHBondContact CD-O 3.3Å; R209-F260 WeakPolarHBondContact CG-O 3.39Å; R209-F260 PolarHBondContact NH1-O 3.4Å; L213-F260 HydrophobicContact CD1-CB 4.16Å; V229-F260 HydrophobicContact CB-CE2 4.2Å; V229-F260 HydrophobicContact CB-CZ 4.32Å; V229-F260 HydrophobicContact CG1-CD2 4.27Å; V229-F260 HydrophobicContact CG1-CE2 4.3Å; V229-F260 HydrophobicContact CG2-CD1 3.93Å; V229-F260 HydrophobicContact CG2-CD2 4.02Å; V229-F260 HydrophobicContact CG2-CE1 3.66Å; V229-F260 HydrophobicContact CG2-CE2 3.75Å; V229-F260 HydrophobicContact CG2-CG 4.07Å; V229-F260 HydrophobicContact CG2-CZ 3.53Å; R255-F260 HydrophobicContact CB-CE2 3.67Å; R255-F260 HydrophobicContact CB-CZ 4.16Å; R255-F260 VanDerWaalsContact NE-CZ 3.27Å; R255-F260 VanDerWaalsContact NH2-CE1 3.32Å; I257-F260 HydrophobicContact CD1-CB 4.44Å; I257-F260 CarbonylContact O-C 3.58Å; I257-F260 WeakPolarHBondContact O-CA 3.44Å; I257-F260 WeakPolarHBondContact O-CB 3.33Å; I257-F260 PolarHBondContact O-N 3.43Å; T258-F260 PolarHBondContact O-N 3.4Å
261V96.9Very high90.6Very high0 Ų066.8 Ų66.80%036%0.36CS..  trans-137.173.3-178.2-162.20000109A205 F208 R209 I257 T258 E263 I264 L272A205-V261 HydrophobicContact CB-CG2 3.89Å; F208-V261 HydrophobicContact CB-CG1 3.51Å; F208-V261 HydrophobicContact CD2-CG1 3.85Å; F208-V261 HydrophobicContact CG-CG1 3.82Å; R209-V261 HydrophobicContact CG-CG2 4.39Å; I257-V261 HydrophobicContact CD1-CG2 4.45Å; I257-V261 HydrophobicContact CG1-CG2 4.44Å; I257-V261 PolarHBondContact O-N 3.36Å; T258-V261 CarbonylContact O-C 3.46Å; V261-E263 VanDerWaalsContact C-N 3.27Å; V261-E263 PolarHBondContact O-N 3.1Å; V261-I264 HydrophobicContact CB-CB 4.29Å; V261-I264 HydrophobicContact CB-CG2 4.09Å; V261-I264 HydrophobicContact CG1-CB 3.8Å; V261-I264 HydrophobicContact CG1-CD1 4.43Å; V261-I264 HydrophobicContact CG1-CG2 4.17Å; V261-I264 WeakPolarHBondContact O-CG2 3.49Å; V261-I264 PolarHBondContact O-N 2.96Å; V261-L272 HydrophobicContact CG2-CD2 4.1Å
262P95.2Very high91.6Very high104 Ų10461.4 Ų61.468%0.67532%0.324SS*.THydrogen-bonded Turntrans-68.5-22.6-168.824.6-33.9000114.5T258T258-P262 WeakPolarHBondContact O-CA 3.48Å
263E94.6Very high92.9Very high109 Ų10962.6 Ų62.651%0.50933%0.328SS..THydrogen-bonded Turntrans-86.7-5.5-179.2-64178.7-157.300113.3F208 V261F208-E263 HydrophobicContact CD1-CB 3.98Å; V261-E263 VanDerWaalsContact C-N 3.27Å; V261-E263 PolarHBondContact O-N 3.1Å
264I96.3Very high94.3Very high10 Ų1056.4 Ų56.45%0.05130%0.302CS..  trans-76.8137.1178.4-155.2167.7000110.1F204 F208 T258 V261 G268 A269 L272F204-I264 HydrophobicContact CE1-CD1 4.06Å; F204-I264 HydrophobicContact CZ-CD1 3.98Å; F208-I264 HydrophobicContact CD2-CB 4.47Å; F208-I264 HydrophobicContact CD2-CD1 4.3Å; F208-I264 HydrophobicContact CD2-CG1 4.34Å; F208-I264 HydrophobicContact CE2-CB 4.21Å; F208-I264 HydrophobicContact CE2-CD1 3.82Å; F208-I264 HydrophobicContact CE2-CG1 3.69Å; F208-I264 HydrophobicContact CZ-CB 4.3Å; F208-I264 HydrophobicContact CZ-CD1 4.5Å; F208-I264 HydrophobicContact CZ-CG1 3.88Å; T258-I264 HydrophobicContact CG2-CG2 4.4Å; V261-I264 HydrophobicContact CB-CB 4.29Å; V261-I264 HydrophobicContact CB-CG2 4.09Å; V261-I264 HydrophobicContact CG1-CB 3.8Å; V261-I264 HydrophobicContact CG1-CD1 4.43Å; V261-I264 HydrophobicContact CG1-CG2 4.17Å; V261-I264 WeakPolarHBondContact O-CG2 3.49Å; V261-I264 PolarHBondContact O-N 2.96Å; I264-G268 WeakPolarHBondContact CD1-O 3.39Å; I264-A269 HydrophobicContact CG2-CB 3.95Å; I264-L272 HydrophobicContact CD1-CB 4.27Å; I264-L272 HydrophobicContact CD1-CD2 3.99Å
265N95.5Very high95.7Very high65 Ų6552.4 Ų52.435%0.34827%0.269SS..  trans-77.6171.2172.971.81.7000111.4Q267 G268 A269 Y294N265-Q267 PolarHBondContact O-N 2.99Å; N265-G268 PolarHBondContact O-N 3.32Å; N265-G268 VanDerWaalsContact O-N 3.15Å; N265-G268 WeakPolarHBondContact OD1-CA 3.43Å; N265-G268 PolarHBondContact OD1-N 2.97Å; N265-A269 PolarHBondContact O-N 3.39Å; N265-Y294 WeakPolarHBondContact OD1-CE2 3.24Å
266E96.2Very high96.4Very high162 Ų16247.5 Ų47.576%0.75725%0.25SS*.Hα-helixtrans-56.4-45.9-177.6-175.1177-170.700112.9G268 A269 Q270E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.41Å; E266-A269 WeakPolarHBondContact O-CB 3.35Å; E266-A269 PolarHBondContact O-N 3.12Å; E266-Q270 PolarHBondContact O-N 2.9Å
267Q97.3Very high96.9Very high40 Ų4045.7 Ų45.719%0.18724%0.238CC..Hα-helixtrans-64.9-37.1178.8-65.9-59.9-27.900112.4N265 L271 H292 Y294N265-Q267 PolarHBondContact O-N 2.99Å; Q267-L271 WeakPolarHBondContact O-CB 3.42Å; Q267-L271 PolarHBondContact O-N 3.15Å; Q267-H292 PolarHBondContact O-CE1 3.08Å; Q267-Y294 HydrophobicContact CB-CD2 4.09Å
268G97.8Very high97Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-69.6-41.7176.100000111.5I264 N265 E266 Q270 L271 L272 Y294I264-G268 WeakPolarHBondContact CD1-O 3.39Å; N265-G268 PolarHBondContact O-N 3.32Å; N265-G268 VanDerWaalsContact O-N 3.15Å; N265-G268 WeakPolarHBondContact OD1-CA 3.43Å; N265-G268 PolarHBondContact OD1-N 2.97Å; E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.41Å; G268-Q270 VanDerWaalsContact C-N 3.33Å; G268-Q270 PolarHBondContact O-N 3.02Å; G268-L271 PolarHBondContact O-N 3.15Å; G268-L272 VanDerWaalsContact O-CB 3.24Å; G268-L272 WeakPolarHBondContact O-CB 3.48Å; G268-L272 PolarHBondContact O-N 3.14Å; G268-Y294 VanDerWaalsContact N-CD2 3.3Å
269A98.1Very high97Very high12 Ų1244.4 Ų44.410%0.09923%0.228CC..Hα-helixtrans-59-44.7173.900000111.3I257 I264 N265 E266 L272 M273I257-A269 HydrophobicContact CG2-CB 3.58Å; I264-A269 HydrophobicContact CG2-CB 3.95Å; N265-A269 PolarHBondContact O-N 3.39Å; E266-A269 WeakPolarHBondContact O-CB 3.35Å; E266-A269 PolarHBondContact O-N 3.12Å; A269-L272 PolarHBondContact O-N 3.3Å; A269-M273 WeakPolarHBondContact O-CG 3.1Å; A269-M273 PolarHBondContact O-N 3Å
270Q98Very high97Very high95 Ų9541.8 Ų41.844%0.44422%0.216SC..Hα-helixtrans-62.4-48.6177.5-173.5-179.315.500111.7E266 G268 L272 M273 Q274E266-Q270 PolarHBondContact O-N 2.9Å; G268-Q270 VanDerWaalsContact C-N 3.33Å; G268-Q270 PolarHBondContact O-N 3.02Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.26Å; Q270-M273 PolarHBondContact O-N 3.43Å; Q270-Q274 WeakPolarHBondContact O-CG 3.19Å; Q270-Q274 PolarHBondContact O-N 2.94Å
271L98.7Very high96.9Very high0 Ų048.1 Ų48.10%025%0.25CS..Hα-helixtrans-59.5-45176.817957.8000111.4F204 Q267 G268 M273 Q274 M275 I284 A289 H292 Y294 F295F204-L271 HydrophobicContact CE1-CB 4.48Å; F204-L271 HydrophobicContact CE1-CD2 4.26Å; F204-L271 HydrophobicContact CE1-CG 4.41Å; Q267-L271 WeakPolarHBondContact O-CB 3.42Å; Q267-L271 PolarHBondContact O-N 3.15Å; G268-L271 PolarHBondContact O-N 3.15Å; L271-M273 VanDerWaalsContact C-N 3.34Å; L271-M273 PolarHBondContact O-N 2.79Å; L271-Q274 PolarHBondContact O-N 3.29Å; L271-M275 HydrophobicContact CD1-CE 3.86Å; L271-M275 HydrophobicContact CD2-CE 4.12Å; L271-M275 HydrophobicContact CG-CE 3.88Å; L271-M275 WeakPolarHBondContact O-CG 3.44Å; L271-M275 PolarHBondContact O-N 2.88Å; L271-I284 HydrophobicContact CD1-CD1 4.29Å; L271-A289 HydrophobicContact CD1-CB 4.03Å; L271-H292 HydrophobicContact CD1-CB 3.91Å; L271-H292 HydrophobicContact CD2-CB 4.44Å; L271-Y294 HydrophobicContact CD2-CD1 3.78Å; L271-Y294 HydrophobicContact CD2-CG 4.21Å; L271-F295 HydrophobicContact CD2-CD2 4.44Å; L271-F295 HydrophobicContact CD2-CE2 3.57Å; L271-F295 HydrophobicContact CD2-CZ 3.87Å
272L98.7Very high96.9Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-59.1-44.2178.6177.657000111.4G201 F204 A205 I257 V261 I264 G268 A269 Q270 Q274 M275 L276G201-L272 WeakPolarHBondContact O-CD1 3.44Å; F204-L272 HydrophobicContact CB-CD1 4.39Å; F204-L272 HydrophobicContact CD1-CB 4.02Å; F204-L272 HydrophobicContact CD1-CD1 4.1Å; F204-L272 HydrophobicContact CE1-CB 4.13Å; A205-L272 HydrophobicContact CB-CD1 4.26Å; A205-L272 HydrophobicContact CB-CD2 3.97Å; I257-L272 HydrophobicContact CD1-CD2 3.96Å; I257-L272 HydrophobicContact CG1-CD2 3.58Å; I257-L272 HydrophobicContact CG1-CG 4.22Å; V261-L272 HydrophobicContact CG2-CD2 4.1Å; I264-L272 HydrophobicContact CD1-CB 4.27Å; I264-L272 HydrophobicContact CD1-CD2 3.99Å; G268-L272 VanDerWaalsContact O-CB 3.24Å; G268-L272 WeakPolarHBondContact O-CB 3.48Å; G268-L272 PolarHBondContact O-N 3.14Å; A269-L272 PolarHBondContact O-N 3.3Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.26Å; L272-Q274 PolarHBondContact O-N 3.48Å; L272-M275 WeakPolarHBondContact O-CB 3.25Å; L272-M275 PolarHBondContact O-N 3.25Å; L272-L276 HydrophobicContact CD1-CD1 3.69Å; L272-L276 HydrophobicContact CD1-CG 4Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 WeakPolarHBondContact O-CB 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.34Å
273M98.1Very high97.1Very high64 Ų6449.8 Ų49.832%0.31525%0.246SC..Hα-helixtrans-67.8-33.3177.2-69.4-54.4-59.300113.1I230 I257 A269 Q270 L271 M275 L276 T277I230-M273 HydrophobicContact CB-CE 4.44Å; I230-M273 HydrophobicContact CG2-CE 4.19Å; I257-M273 HydrophobicContact CB-CG 4.26Å; I257-M273 HydrophobicContact CB-SD 3.84Å; I257-M273 HydrophobicContact CD1-SD 4.16Å; I257-M273 HydrophobicContact CG1-SD 4.03Å; I257-M273 HydrophobicContact CG2-CG 4.14Å; I257-M273 HydrophobicContact CG2-SD 4.38Å; A269-M273 WeakPolarHBondContact O-CG 3.1Å; A269-M273 PolarHBondContact O-N 3Å; Q270-M273 PolarHBondContact O-N 3.43Å; L271-M273 VanDerWaalsContact C-N 3.34Å; L271-M273 PolarHBondContact O-N 2.79Å; M273-M275 VanDerWaalsContact C-N 3.32Å; M273-L276 CarbonylContact O-C 3.53Å; M273-L276 PolarHBondContact O-N 2.72Å; M273-T277 PolarHBondContact O-N 2.83Å; M273-T277 PolarHBondContact O-OG1 3.16Å; M273-T277 VanDerWaalsContact O-OG1 3.09Å
274Q98.6Very high97.3Very high61 Ų6145.6 Ų45.629%0.28523%0.227SC..Hα-helixtrans-67.1-32.5172.4-70.2174.311.900112.4Q270 L271 L272 T277 I284 H292Q270-Q274 WeakPolarHBondContact O-CG 3.19Å; Q270-Q274 PolarHBondContact O-N 2.94Å; L271-Q274 PolarHBondContact O-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.48Å; Q274-T277 PolarHBondContact O-OG1 3.14Å; Q274-I284 HydrophobicContact CB-CB 4.1Å; Q274-I284 HydrophobicContact CB-CD1 4.47Å; Q274-I284 HydrophobicContact CB-CG2 3.99Å; Q274-I284 PolarHBondContact O-N 3.36Å; Q274-H292 PolarHBondContact OE1-CD2 3.31Å
275M98.8Very high97.4Very high0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-73.4-36.3172.7-67.5-179174.200112.5M121 L125 I197 T200 F204 L271 L272 M273 T277 R283 I284 A289M121-M275 HydrophobicContact CE-CE 3.88Å; M121-M275 HydrophobicContact CE-SD 4.17Å; L125-M275 HydrophobicContact CD1-CE 3.8Å; L125-M275 HydrophobicContact CD2-CE 3.79Å; L125-M275 HydrophobicContact CG-CE 4.27Å; I197-M275 HydrophobicContact CG2-CB 3.95Å; I197-M275 HydrophobicContact CG2-CG 3.86Å; T200-M275 HydrophobicContact CG2-SD 4.38Å; F204-M275 HydrophobicContact CD1-SD 4.43Å; L271-M275 HydrophobicContact CD1-CE 3.86Å; L271-M275 HydrophobicContact CD2-CE 4.12Å; L271-M275 HydrophobicContact CG-CE 3.88Å; L271-M275 WeakPolarHBondContact O-CG 3.44Å; L271-M275 PolarHBondContact O-N 2.88Å; L272-M275 WeakPolarHBondContact O-CB 3.25Å; L272-M275 PolarHBondContact O-N 3.25Å; M273-M275 VanDerWaalsContact C-N 3.32Å; M275-T277 VanDerWaalsContact C-N 3.28Å; M275-T277 PolarHBondContact O-N 3.16Å; M275-R283 WeakPolarHBondContact O-CD 3.16Å; M275-R283 VanDerWaalsContact O-CG 3.3Å; M275-R283 WeakPolarHBondContact O-CG 3.49Å; M275-I284 HydrophobicContact CB-CG2 4.48Å; M275-I284 HydrophobicContact CG-CG2 3.81Å; M275-A289 HydrophobicContact CE-CB 3.93Å
276L98.3Very high97.5Very high1 Ų144.5 Ų44.51%0.00523%0.226CC..THydrogen-bonded Turntrans-91.424.6179.8-61.4179.7000113.1W198 L213 F214 I230 L272 M273 F278W198-L276 HydrophobicContact CD2-CD2 4.01Å; W198-L276 HydrophobicContact CE3-CD2 4.18Å; W198-L276 HydrophobicContact CH2-CB 4.44Å; W198-L276 HydrophobicContact CH2-CD2 4.34Å; W198-L276 HydrophobicContact CZ2-CD2 4.19Å; W198-L276 HydrophobicContact CZ3-CB 4.2Å; W198-L276 HydrophobicContact CZ3-CD2 4.36Å; W198-L276 VanDerWaalsContact CZ3-O 3.26Å; W198-L276 WeakPolarHBondContact CZ3-O 3.36Å; L213-L276 HydrophobicContact CD2-CD1 3.69Å; F214-L276 HydrophobicContact CE2-CD1 4.45Å; F214-L276 HydrophobicContact CE2-CD2 4.29Å; F214-L276 HydrophobicContact CZ-CD1 4.37Å; I230-L276 HydrophobicContact CG2-CB 3.97Å; I230-L276 WeakPolarHBondContact CG2-O 3.46Å; L272-L276 HydrophobicContact CD1-CD1 3.69Å; L272-L276 HydrophobicContact CD1-CG 4Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 WeakPolarHBondContact O-CB 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.44Å; L272-L276 PolarHBondContact O-N 3.34Å; M273-L276 CarbonylContact O-C 3.53Å; M273-L276 PolarHBondContact O-N 2.72Å; L276-F278 PolarHBondContact O-N 3.33Å
277T98Very high97.6Very high38 Ų3842 Ų4223%0.23322%0.217CC..  trans-69.5130.2174-63.50000110.1M273 Q274 M275 K282 R283M273-T277 PolarHBondContact O-N 2.83Å; M273-T277 PolarHBondContact O-OG1 3.16Å; M273-T277 VanDerWaalsContact O-OG1 3.09Å; Q274-T277 PolarHBondContact O-OG1 3.14Å; M275-T277 VanDerWaalsContact C-N 3.28Å; M275-T277 PolarHBondContact O-N 3.16Å; T277-K282 HydrophobicContact CG2-CB 3.84Å; T277-R283 PolarHBondContact O-NE 3.07Å; T277-R283 PolarHBondContact O-NH2 3.29Å
278F97Very high97.6Very high17 Ų1746.6 Ų46.68%0.07524%0.237CC..SBendtrans-59.7-56.9-178179.6-101000111.6P183 L187 F227 I230 P233 E237 W238 L276 P280 R283P183-F278 HydrophobicContact CB-CD2 3.62Å; P183-F278 HydrophobicContact CB-CE2 3.43Å; P183-F278 VanDerWaalsContact CB-CE2 3.43Å; P183-F278 HydrophobicContact CB-CZ 4.47Å; P183-F278 HydrophobicContact CG-CD2 3.76Å; P183-F278 HydrophobicContact CG-CE2 4.11Å; L187-F278 HydrophobicContact CD1-CE2 4.22Å; L187-F278 HydrophobicContact CD1-CZ 3.92Å; F227-F278 AromaticContact CE1-CD2 3.96Å; F227-F278 HydrophobicContact CE1-CD2 3.96Å; F227-F278 AromaticContact CE1-CE2 3.84Å; F227-F278 HydrophobicContact CE1-CE2 3.84Å; F227-F278 HydrophobicContact CZ-CE2 4.07Å; I230-F278 HydrophobicContact CD1-CB 3.92Å; I230-F278 HydrophobicContact CD1-CD2 4.39Å; P233-F278 HydrophobicContact CB-CD1 3.67Å; P233-F278 HydrophobicContact CB-CD2 4.48Å; P233-F278 HydrophobicContact CB-CE1 3.86Å; P233-F278 HydrophobicContact CB-CG 4.01Å; P233-F278 HydrophobicContact CB-CZ 4.34Å; P233-F278 HydrophobicContact CG-CB 3.93Å; P233-F278 HydrophobicContact CG-CD1 3.46Å; P233-F278 VanDerWaalsContact CG-CD1 3.46Å; P233-F278 HydrophobicContact CG-CD2 3.4Å; P233-F278 HydrophobicContact CG-CE1 3.7Å; P233-F278 HydrophobicContact CG-CE2 3.63Å; P233-F278 HydrophobicContact CG-CG 3.3Å; P233-F278 HydrophobicContact CG-CZ 3.79Å; E237-F278 HydrophobicContact CB-CD1 4.47Å; E237-F278 WeakPolarHBondContact O-CE1 3.48Å; W238-F278 HydrophobicContact CE3-CE1 4.47Å; W238-F278 AromaticContact CE3-CZ 3.96Å; W238-F278 HydrophobicContact CE3-CZ 3.96Å; W238-F278 HydrophobicContact CZ3-CE2 4.35Å; W238-F278 HydrophobicContact CZ3-CZ 4.03Å; L276-F278 PolarHBondContact O-N 3.33Å; F278-P280 VanDerWaalsContact O-CD 3.3Å; F278-P280 WeakPolarHBondContact O-CD 3.2Å; F278-R283 PolarHBondContact O-NH2 3Å
279D95.6Very high97.7Very high32 Ų3246.6 Ų46.617%0.17124%0.237CC..SBendtrans-64.7114178.6-179.3-10.3000110.4L281 K282 R283D279-L281 PolarHBondContact O-N 3Å; D279-L281 WeakPolarHBondContact OD1-CB 3.46Å; D279-L281 PolarHBondContact OD1-N 3.29Å; D279-K282 HydrophobicContact CB-CB 4.18Å; D279-K282 HydrophobicContact CB-CD 4Å; D279-K282 HydrophobicContact CB-CG 4.13Å; D279-K282 PolarHBondContact O-N 2.69Å; D279-K282 VanDerWaalsContact O-N 3.09Å; D279-K282 WeakPolarHBondContact OD2-CD 3.47Å; D279-K282 WeakPolarHBondContact OD2-CE 3.18Å; D279-K282 WeakPolarHBondContact OD2-CG 3.34Å; D279-K282 IonicContact OD2-NZ 3.85Å; D279-R283 PolarHBondContact O-N 3.3Å
280P94.1Very high97.7Very high41 Ų4148.1 Ų48.127%0.26624%0.243SC..THydrogen-bonded Turntrans-63.8-21.5-17827-34.8000113.2P194 F278P194-P280 HydrophobicContact CB-CB 3.89Å; P194-P280 HydrophobicContact CG-CB 4.22Å; P194-P280 VanDerWaalsContact CG-O 3.32Å; P194-P280 WeakPolarHBondContact CG-O 3.43Å; F278-P280 VanDerWaalsContact O-CD 3.3Å; F278-P280 WeakPolarHBondContact O-CD 3.2Å
281L94.2Very high97.6Very high160 Ų16049.4 Ų49.484%0.83825%0.249SC*.THydrogen-bonded Turntrans-77.9-26.9176.9-59.3178.8000112.6D279D279-L281 PolarHBondContact O-N 3Å; D279-L281 WeakPolarHBondContact OD1-CB 3.46Å; D279-L281 PolarHBondContact OD1-N 3.29Å
282K97.1Very high97.6Very high124 Ų12450 Ų5054%0.53925%0.251SS..THydrogen-bonded Turntrans-90.8-17.2176.1-63.1176.4-166.2167.30112.4E237 T277 D279E237-K282 IonicContact OE1-NZ 3.75Å; E237-K282 PolarHBondContact OE1-NZ 2.96Å; T277-K282 HydrophobicContact CG2-CB 3.84Å; D279-K282 HydrophobicContact CB-CB 4.18Å; D279-K282 HydrophobicContact CB-CD 4Å; D279-K282 HydrophobicContact CB-CG 4.13Å; D279-K282 PolarHBondContact O-N 2.69Å; D279-K282 VanDerWaalsContact O-N 3.09Å; D279-K282 WeakPolarHBondContact OD2-CD 3.47Å; D279-K282 WeakPolarHBondContact OD2-CE 3.18Å; D279-K282 WeakPolarHBondContact OD2-CG 3.34Å; D279-K282 IonicContact OD2-NZ 3.85Å
283R98.1Very high97.6Very high14 Ų1452.6 Ų52.65%0.05327%0.268CS..SBendtrans-62.2135.7179.8-162.4178.9-61.2151.96.4111.2E184 P194 I197 M275 T277 F278 D279E184-R283 IonicContact OE1-CZ 2.74Å; E184-R283 IonicContact OE1-NH1 3.89Å; E184-R283 PolarHBondContact OE1-NH1 3.16Å; E184-R283 IonicContact OE1-NH2 3.89Å; E184-R283 PolarHBondContact OE1-NH2 3.02Å; E184-R283 IonicContact OE2-CZ 3.61Å; E184-R283 IonicContact OE2-NH1 2.73Å; E184-R283 IonicContact OE2-NH2 3.93Å; E184-R283 PolarHBondContact OE2-NH2 3.23Å; P194-R283 VanDerWaalsContact C-NH1 3.29Å; P194-R283 HydrophobicContact CB-CB 4.46Å; P194-R283 WeakPolarHBondContact O-CD 3.42Å; P194-R283 PolarHBondContact O-NH1 3.29Å; I197-R283 HydrophobicContact CB-CG 4.42Å; I197-R283 HydrophobicContact CG2-CG 4.12Å; M275-R283 WeakPolarHBondContact O-CD 3.16Å; M275-R283 VanDerWaalsContact O-CG 3.3Å; M275-R283 WeakPolarHBondContact O-CG 3.49Å; T277-R283 PolarHBondContact O-NE 3.07Å; T277-R283 PolarHBondContact O-NH2 3.29Å; F278-R283 PolarHBondContact O-NH2 3Å; D279-R283 PolarHBondContact O-N 3.3Å
284I98.7Very high97.5Very high21 Ų2149.7 Ų49.711%0.10825%0.254CS..PPolyproline II helixtrans-59.9144.3-179-168.2161.6000111.4I197 L271 Q274 M275 K288 A289I197-I284 WeakPolarHBondContact CG1-O 3.43Å; I197-I284 HydrophobicContact CG2-CG2 4.06Å; I197-I284 WeakPolarHBondContact CG2-O 3.13Å; L271-I284 HydrophobicContact CD1-CD1 4.29Å; Q274-I284 HydrophobicContact CB-CB 4.1Å; Q274-I284 HydrophobicContact CB-CD1 4.47Å; Q274-I284 HydrophobicContact CB-CG2 3.99Å; Q274-I284 PolarHBondContact O-N 3.36Å; M275-I284 HydrophobicContact CB-CG2 4.48Å; M275-I284 HydrophobicContact CG-CG2 3.81Å; I284-K288 HydrophobicContact CD1-CB 4.05Å; I284-K288 HydrophobicContact CG1-CB 3.67Å; I284-A289 HydrophobicContact CD1-CB 4.06Å; I284-A289 HydrophobicContact CG1-CB 4.18Å; I284-A289 HydrophobicContact CG2-CB 4.38Å
285S98.6Very high97.4Very high51 Ų5148.2 Ų48.236%0.35725%0.246SC..PPolyproline II helixtrans-84.3159.2172.568.60000111.2L287 K288 A289S285-L287 PolarHBondContact O-N 3.32Å; S285-K288 PolarHBondContact O-N 2.97Å; S285-K288 WeakPolarHBondContact OG-CG 3.29Å; S285-K288 PolarHBondContact OG-N 3.46Å; S285-A289 WeakPolarHBondContact O-CB 3.25Å; S285-A289 PolarHBondContact O-N 2.86Å
286A98.2Very high96.9Very high1 Ų154.8 Ų54.81%0.00828%0.277CS..Hα-helixtrans-56.6-40177.400000112.3L125 L128 A129 I197 A289 L290L125-A286 HydrophobicContact CD2-CB 4.39Å; L128-A286 HydrophobicContact CB-CB 4.31Å; L128-A286 HydrophobicContact CD2-CB 4.41Å; L128-A286 HydrophobicContact CG-CB 4.22Å; A129-A286 HydrophobicContact CB-CB 3.89Å; I197-A286 HydrophobicContact CD1-CB 3.75Å; I197-A286 VanDerWaalsContact CD1-N 3.33Å; A286-A289 PolarHBondContact O-N 3.48Å; A286-L290 WeakPolarHBondContact O-CG 3.4Å; A286-L290 PolarHBondContact O-N 3.42Å; A286-L290 VanDerWaalsContact O-N 3.15Å
287L97.4Very high95.6Very high109 Ų10959.7 Ų59.757%0.57130%0.3SS*.Hα-helixtrans-64.3-48.7177.9-17466.2000112S285 A289 L290S285-L287 PolarHBondContact O-N 3.32Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 3.01Å; L287-L290 WeakPolarHBondContact O-CB 3.23Å; L287-L290 PolarHBondContact O-N 3.29Å
288K98.3Very high93.8Very high138 Ų13866.7 Ų66.760%0.633%0.33SS*.Hα-helixtrans-65.2-33.3177.2-73.2-178.3177.2-177.60112I284 S285 L290 E291 H292I284-K288 HydrophobicContact CD1-CB 4.05Å; I284-K288 HydrophobicContact CG1-CB 3.67Å; S285-K288 PolarHBondContact O-N 2.97Å; S285-K288 WeakPolarHBondContact OG-CG 3.29Å; S285-K288 PolarHBondContact OG-N 3.46Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.82Å; K288-E291 PolarHBondContact O-N 3.38Å; K288-H292 PolarHBondContact O-N 3.37Å
289A98.5Very high92Very high0 Ų070.5 Ų70.50%035%0.348CS..Hα-helixtrans-64-37.6176.600000111.8L125 L271 M275 I284 S285 A286 L287 E291 H292 F295L125-A289 HydrophobicContact CD1-CB 3.83Å; L125-A289 HydrophobicContact CD2-CB 4.04Å; L271-A289 HydrophobicContact CD1-CB 4.03Å; M275-A289 HydrophobicContact CE-CB 3.93Å; I284-A289 HydrophobicContact CD1-CB 4.06Å; I284-A289 HydrophobicContact CG1-CB 4.18Å; I284-A289 HydrophobicContact CG2-CB 4.38Å; S285-A289 WeakPolarHBondContact O-CB 3.25Å; S285-A289 PolarHBondContact O-N 2.86Å; A286-A289 PolarHBondContact O-N 3.48Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 3.01Å; A289-E291 PolarHBondContact O-N 2.54Å; A289-H292 WeakPolarHBondContact O-CB 3.04Å; A289-H292 PolarHBondContact O-N 3.42Å; A289-H292 VanDerWaalsContact O-N 3.13Å; A289-F295 VanDerWaalsContact O-CD2 3.23Å; A289-F295 WeakPolarHBondContact O-CD2 3.25Å; A289-F295 WeakPolarHBondContact O-CE2 3.13Å
290L98Very high89.7Confident43 Ų4378.6 Ų78.623%0.22538%0.382CS..Hα-helixtrans-63.7-27.4174.7-73.4166.1000113.2R122 L125 A129 A286 L287 K288 H292R122-L290 HydrophobicContact CG-CD2 4.1Å; R122-L290 WeakPolarHBondContact O-CD2 3.46Å; L125-L290 HydrophobicContact CB-CD1 4.46Å; L125-L290 HydrophobicContact CB-CD2 3.6Å; L125-L290 HydrophobicContact CB-CG 3.82Å; L125-L290 HydrophobicContact CD1-CD2 4.44Å; A129-L290 HydrophobicContact CB-CD1 4.08Å; A286-L290 WeakPolarHBondContact O-CG 3.4Å; A286-L290 PolarHBondContact O-N 3.42Å; A286-L290 VanDerWaalsContact O-N 3.15Å; L287-L290 WeakPolarHBondContact O-CB 3.23Å; L287-L290 PolarHBondContact O-N 3.29Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.82Å; L290-H292 VanDerWaalsContact C-N 3.3Å
291E97.6Very high87.1Confident123 Ų12386.7 Ų86.758%0.57541%0.413SS*.THydrogen-bonded Turntrans-83.2-6.5177.6-62.7172.1169.800112.8K288 A289 Q296K288-E291 PolarHBondContact O-N 3.38Å; A289-E291 PolarHBondContact O-N 2.54Å; E291-Q296 PolarHBondContact O-NE2 3.48Å
292H98.4Very high84.4Confident12 Ų1288 Ų886%0.05644%0.435CS..SBendtrans-63.2142.7-175.8-166.8-88.7000112.1Q267 L271 Q274 K288 A289 L290 Y294 F295Q267-H292 PolarHBondContact O-CE1 3.08Å; L271-H292 HydrophobicContact CD1-CB 3.91Å; L271-H292 HydrophobicContact CD2-CB 4.44Å; Q274-H292 PolarHBondContact OE1-CD2 3.31Å; K288-H292 PolarHBondContact O-N 3.37Å; A289-H292 WeakPolarHBondContact O-CB 3.04Å; A289-H292 PolarHBondContact O-N 3.42Å; A289-H292 VanDerWaalsContact O-N 3.13Å; L290-H292 VanDerWaalsContact C-N 3.3Å; H292-Y294 WeakPolarHBondContact ND1-CB 3.44Å; H292-Y294 PolarHBondContact ND1-N 3.09Å; H292-Y294 PolarHBondContact O-N 2.74Å; H292-F295 HydrophobicContact CB-CD2 4.5Å; H292-F295 PolarHBondContact O-N 3.01Å
293P97.4Very high83.7Confident54 Ų5486.2 Ų86.235%0.35143%0.43SS..G310 helixtrans-54.7-25.7-179.6-27.333.9000115.1F295 Q296 E297P293-F295 PolarHBondContact O-N 3.15Å; P293-F295 VanDerWaalsContact O-N 3.1Å; P293-Q296 PolarHBondContact O-N 3.2Å; P293-E297 PolarHBondContact O-N 3.04Å
294Y97.4Very high83Confident3 Ų389.9 Ų89.91%0.01245%0.45CS..G310 helixtrans-49.8-34.4171.8-179.1-108.6000113.5K118 F204 N265 Q267 G268 L271 H292K118-Y294 HydrophobicContact CB-CE1 4.02Å; K118-Y294 WeakPolarHBondContact CD-O 3.44Å; K118-Y294 WeakPolarHBondContact CE-O 3.39Å; K118-Y294 HydrophobicContact CG-CD1 4.32Å; K118-Y294 HydrophobicContact CG-CE1 3.78Å; K118-Y294 PolarHBondContact NZ-O 3.26Å; F204-Y294 HydrophobicContact CE2-CE1 4.07Å; F204-Y294 AromaticContact CE2-CZ 3.99Å; F204-Y294 HydrophobicContact CZ-CD1 4.31Å; F204-Y294 AromaticContact CZ-CE1 3.64Å; F204-Y294 HydrophobicContact CZ-CE1 3.64Å; F204-Y294 HydrophobicContact CZ-CE2 4.26Å; F204-Y294 AromaticContact CZ-CZ 3.61Å; N265-Y294 WeakPolarHBondContact OD1-CE2 3.24Å; Q267-Y294 HydrophobicContact CB-CD2 4.09Å; G268-Y294 VanDerWaalsContact N-CD2 3.3Å; L271-Y294 HydrophobicContact CD2-CD1 3.78Å; L271-Y294 HydrophobicContact CD2-CG 4.21Å; H292-Y294 WeakPolarHBondContact ND1-CB 3.44Å; H292-Y294 PolarHBondContact ND1-N 3.09Å; H292-Y294 PolarHBondContact O-N 2.74Å
295F96.4Very high82.1Confident30 Ų3093.8 Ų93.813%0.13247%0.469CS..G310 helixtrans-93.8-7.1178.1-60.6-63.6000114.2K118 M121 R122 L125 L271 A289 H292 P293K118-F295 HydrophobicContact CG-CD1 3.92Å; K118-F295 HydrophobicContact CG-CE1 4.23Å; K118-F295 WeakPolarHBondContact O-CE1 3.14Å; M121-F295 HydrophobicContact CB-CE1 4Å; M121-F295 HydrophobicContact CB-CZ 4.03Å; R122-F295 HydrophobicContact CB-CD1 3.85Å; R122-F295 HydrophobicContact CB-CE1 3.77Å; R122-F295 HydrophobicContact CG-CD1 4.36Å; L125-F295 HydrophobicContact CD1-CE2 3.55Å; L125-F295 HydrophobicContact CD1-CZ 3.57Å; L271-F295 HydrophobicContact CD2-CD2 4.44Å; L271-F295 HydrophobicContact CD2-CE2 3.57Å; L271-F295 HydrophobicContact CD2-CZ 3.87Å; A289-F295 VanDerWaalsContact O-CD2 3.23Å; A289-F295 WeakPolarHBondContact O-CD2 3.25Å; A289-F295 WeakPolarHBondContact O-CE2 3.13Å; H292-F295 HydrophobicContact CB-CD2 4.5Å; H292-F295 PolarHBondContact O-N 3.01Å; P293-F295 PolarHBondContact O-N 3.15Å; P293-F295 VanDerWaalsContact O-N 3.1Å
296Q87.8Confident81.1Confident138 Ų13896.3 Ų96.365%0.64548%0.475SS*.THydrogen-bonded Turntrans-94.5-28.4-178.6-59-174.3-0.300112.6E291 P293 E298E291-Q296 PolarHBondContact O-NE2 3.48Å; P293-Q296 PolarHBondContact O-N 3.2Å; Q296-E298 PolarHBondContact O-N 3.12Å
297E70.6Confident80.1Confident105 Ų105102.3 Ų102.349%0.49151%0.505SS..SBendtrans-75115.6176.4-71-172.3163.100111.3K118 P293 E299K118-E297 PolarHBondContact NZ-O 3.42Å; P293-E297 PolarHBondContact O-N 3.04Å; E297-E299 PolarHBondContact O-N 3.08Å
298E61.2Low78.9Confident184 Ų184101.8 Ų101.886%0.8650%0.5SS*.  trans-63129.7161.8-67.9-161.416200108.9Q296 K300Q296-E298 PolarHBondContact O-N 3.12Å; E298-K300 PolarHBondContact O-N 3.34Å; E298-K300 VanDerWaalsContact O-N 3.09Å
299E58Low77.5Confident97 Ų9799.2 Ų99.245%0.45349%0.493SS..  trans-60.7118.6170.6-72.6-174.9157.200108.1A114 G115 E297 K301A114-E299 WeakPolarHBondContact CB-OE1 3.35Å; G115-E299 VanDerWaalsContact CA-CD 3.45Å; G115-E299 WeakPolarHBondContact CA-OE1 3.14Å; G115-E299 VanDerWaalsContact CA-OE2 3.23Å; G115-E299 WeakPolarHBondContact CA-OE2 3.23Å; G115-E299 PolarHBondContact N-OE1 2.97Å; G115-E299 PolarHBondContact N-OE2 3.12Å; E297-E299 PolarHBondContact O-N 3.08Å; E299-K301 PolarHBondContact O-N 3.35Å
300K47.9Very low75.9Confident203 Ų203106.8 Ų106.888%0.88353%0.531SS*.  trans-55.9108.6166.6-75.5-178.6179.1175.60106.7E298 S302E298-K300 PolarHBondContact O-N 3.34Å; E298-K300 VanDerWaalsContact O-N 3.09Å; K300-S302 PolarHBondContact O-N 3.09Å
301K39.6Very low74.1Confident210 Ų210112.2 Ų112.291%0.91356%0.556SS**  trans-56.1110.6171.3-68.1179.9179.6176.40107.1E299E299-K301 PolarHBondContact O-N 3.35Å
302S36.8Very low71.9Confident187 Ų187111.2 Ų111.2100%1.30856%0.555SS**  trans-76.80167.569.90000109.7K300K300-S302 PolarHBondContact O-N 3.09Å

Retrieved 302 of 302 residues in 427.1 ms (Link to these results)

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