A0A093HNC3_STRCA Loading...

Translationally-controlled tumor protein

AlphaFold DB , UniProt , Accession A0A093HNC3, Species STRCA (Struthio camelus australis), Gene n/a, Length 138 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
1M72.6Confident61.3Low150 Ų15099.5 Ų99.574%0.73953%0.527SS*.  01500-67.9-175.5-175.500108.5T34 G35 F117M1-T34 HydrophobicContact CB-CG2 4.35Å; M1-T34 HydrophobicContact SD-CG2 4.43Å; M1-G35 CarbonylContact C-O 3.55Å; M1-G35 WeakPolarHBondContact CA-O 3.43Å; M1-F117 HydrophobicContact CE-CE1 4.39Å; M1-F117 HydrophobicContact CE-CZ 4.46Å
2V75.4Confident60.8Low47 Ų4799.2 Ų99.229%0.28554%0.539SS..EExtended strand (participates in β ladder)trans-116.5143.4172.7-64.50000108.7T34 G35 D37 I40V2-T34 WeakPolarHBondContact O-CA 3.36Å; V2-G35 PolarHBondContact N-O 3.26Å; V2-G35 PolarHBondContact O-N 2.88Å; V2-D37 HydrophobicContact CG1-CB 3.88Å; V2-D37 HydrophobicContact CG2-CB 3.78Å; V2-I40 HydrophobicContact CG2-CD1 3.74Å
3T70.9Confident60.3Low88 Ų88102.4 Ų102.454%0.5455%0.554SS.*EExtended strand (participates in β ladder)trans-112.3128.9174-61.80000107.7V32 I33 T34T3-V32 HydrophobicContact CG2-CG1 3.42Å; T3-V32 VanDerWaalsContact CG2-CG1 3.42Å; T3-I33 WeakPolarHBondContact CA-O 3.33Å; T3-T34 WeakPolarHBondContact CG2-OG1 3.29Å; T3-T34 WeakPolarHBondContact OG1-CG2 3.35Å; T3-T34 PolarHBondContact OG1-OG1 3.07Å
4R66.6Low60.1Low91 Ų91103.2 Ų103.234%0.34356%0.556SS.*EExtended strand (participates in β ladder)trans-127.8143.4176.6-61.9-174.3-176.8178.20.8109.2V32 I33 D37 N41R4-V32 CarbonylContact O-C 3.6Å; R4-V32 WeakPolarHBondContact O-CA 3.38Å; R4-I33 PolarHBondContact N-O 3.21Å; R4-I33 PolarHBondContact O-N 3.42Å; R4-D37 IonicContact CZ-OD1 3.91Å; R4-D37 IonicContact NH2-OD1 2.86Å; R4-D37 PolarHBondContact NH2-OD1 2.86Å; R4-N41 PolarHBondContact NH1-OD1 2.85Å; R4-N41 PolarHBondContact NH2-ND2 2.68Å; R4-N41 PolarHBondContact NH2-OD1 3.02Å
5T65.2Low59.1Low76 Ų76101.3 Ų101.347%0.46657%0.571SS.*EExtended strand (participates in β ladder)trans-105.7110.6173.1-55.30000107A30 V32T5-A30 HydrophobicContact CG2-CB 3.68Å; T5-V32 HydrophobicContact CG2-CG2 4.44Å
6E59.6Low58.2Low112 Ų11299.4 Ų99.452%0.52358%0.58SS.*EExtended strand (participates in β ladder)trans-95.3143.7172.4-64.1-165.5110.600109.4T31 I33E6-T31 PolarHBondContact N-O 2.83Å; E6-T31 PolarHBondContact O-N 2.95Å; E6-I33 WeakPolarHBondContact OE2-CD1 3.36Å
7G53.9Low57.1Low41 Ų41103 Ų10342%0.42360%0.597SS.*  trans94.215.8176.700000116.5I9G7-I9 PolarHBondContact O-N 3.44Å
8Q50.5Low56.9Low178 Ų178102.6 Ų102.683%0.83261%0.608SS**  trans-72.974.2159-108.1-175.817.400109.1
9I53.8Low56.3Low89 Ų89103.3 Ų103.346%0.45662%0.618SS.*  trans-80.2114.616023.6171.5000106.2G7 D11 I14 T28G7-I9 PolarHBondContact O-N 3.44Å; I9-D11 PolarHBondContact O-N 3.31Å; I9-I14 HydrophobicContact CD1-CD1 4.23Å; I9-T28 HydrophobicContact CD1-CG2 4.33Å
10D51.2Low55.4Low97 Ų97102.6 Ų102.652%0.51962%0.624SS.*  trans-66.6114167.1-165.1-68.9000106.4S12 L13D10-S12 PolarHBondContact O-N 2.86Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.29Å; D10-S12 VanDerWaalsContact OD1-N 3.12Å; D10-S12 PolarHBondContact OD1-OG 2.8Å; D10-L13 HydrophobicContact CB-CD1 4.04Å; D10-L13 HydrophobicContact CB-CG 4.23Å; D10-L13 WeakPolarHBondContact O-CB 3.25Å; D10-L13 PolarHBondContact O-N 3.26Å
11D54.3Low55Low125 Ų125107.4 Ų107.467%0.66864%0.64SS**G310 helixtrans-52.5-21.3-178.9-88.2-19.9000112.3I9 L13 I14I9-D11 PolarHBondContact O-N 3.31Å; D11-L13 PolarHBondContact O-N 3.07Å; D11-I14 PolarHBondContact O-N 3.19Å
12S56Low53.2Low96 Ų96103.5 Ų103.567%0.67164%0.638SS**G310 helixtrans-68.9-17.517477.30000114.6D10D10-S12 PolarHBondContact O-N 2.86Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.29Å; D10-S12 VanDerWaalsContact OD1-N 3.12Å; D10-S12 PolarHBondContact OD1-OG 2.8Å
13L53.5Low51.6Low141 Ų141106.7 Ų106.774%0.73866%0.66SS**G310 helixtrans-86.9-15.3177.6-65171.6000113D10 D11 G15D10-L13 HydrophobicContact CB-CD1 4.04Å; D10-L13 HydrophobicContact CB-CG 4.23Å; D10-L13 WeakPolarHBondContact O-CB 3.25Å; D10-L13 PolarHBondContact O-N 3.26Å; D11-L13 PolarHBondContact O-N 3.07Å; L13-G15 PolarHBondContact O-N 3.39Å
14I58.1Low50.2Low114 Ų114111.4 Ų111.459%0.58568%0.675SS**SBendtrans-85.973.5172.3-54.1-161.1000108.6I9 D11 G16I9-I14 HydrophobicContact CD1-CD1 4.23Å; D11-I14 PolarHBondContact O-N 3.19Å; I14-G16 PolarHBondContact O-N 2.87Å
15G45.1Very low49.3Very low75 Ų75111 Ų11177%0.77370%0.7SS**  trans-67.292.1176.300000113.2L13L13-G15 PolarHBondContact O-N 3.39Å
16G44.7Very low48.2Very low70 Ų70114.5 Ų114.572%0.72272%0.716SS**  trans80.9107.3131.700000120.4I14I14-G16 PolarHBondContact O-N 2.87Å
17N39.3Very low47.5Very low161 Ų161112 Ų11286%0.86172%0.72SS**  -147.7111.7115.3-168.719.5000109.5
18A53.2Low47Very low96 Ų96113.9 Ų113.979%0.79372%0.723SS**  trans-81.3113.917900000110.2
19S45.8Very low46.9Very low116 Ų116113.5 Ų113.581%0.81172%0.722SS**  trans-159124.9154-145.70000112.2
20A39.4Very low46.8Very low89 Ų89111.7 Ų111.774%0.73672%0.72SS**  trans77.295.5160.500000119.3
21E45.8Very low46.7Very low204 Ų204111.2 Ų111.295%0.95372%0.721SS**  trans35.9102.6133.9-55.3-171.799.900118.7
22G34.2Very low46.7Very low68 Ų68109.3 Ų109.370%0.70171%0.714SS**  trans-159.4137.2158.500000109.7
23P42.7Very low46.9Very low114 Ų114107.6 Ų107.674%0.7470%0.696SS**  trans-78.2148.5-176.832.4-32.1000111.6
24E40.8Very low47.6Very low186 Ų186104.5 Ų104.587%0.86968%0.683SS**  trans74.3110.2154.2-65171.397.600117.2D26E24-D26 PolarHBondContact O-N 3.1Å
25G47.7Very low48.5Very low83 Ų8399.9 Ų99.986%0.85666%0.664SS**  trans-65.6122.4178.100000111.8G27G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.19Å
26D42.2Very low50.4Low150 Ų15097.1 Ų97.180%0.80263%0.632SS**  trans-78.791.9158.9-159.5-111.7000106.5E24 T28E24-D26 PolarHBondContact O-N 3.1Å; D26-T28 PolarHBondContact O-N 3.03Å; D26-T28 VanDerWaalsContact O-N 3.15Å
27G46.6Very low52.4Low60 Ų6096.9 Ų96.962%0.61961%0.614SS**  trans-55.7120.1173.100000108.3G25 E29G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.19Å; G27-E29 PolarHBondContact O-N 2.94Å
28T43.1Very low54.6Low79 Ų7992.7 Ų92.749%0.48559%0.591SS.*  trans-53.8113-176.7-35.90000108.9I9 D26 A30I9-T28 HydrophobicContact CD1-CG2 4.33Å; D26-T28 PolarHBondContact O-N 3.03Å; D26-T28 VanDerWaalsContact O-N 3.15Å; T28-A30 PolarHBondContact O-N 3.23Å
29E46.8Very low56.1Low171 Ų17189.2 Ų89.280%0.79956%0.56SS**  trans-62106.7-179.7-68.1-172.8109.400108.8G27 T31G27-E29 PolarHBondContact O-N 2.94Å; E29-T31 PolarHBondContact O-N 3.37Å
30A53.3Low58.1Low51 Ų5185 Ų8542%0.42153%0.528SS..  trans-58.1115.2178.200000109T5 T28 V32T5-A30 HydrophobicContact CG2-CB 3.68Å; T28-A30 PolarHBondContact O-N 3.23Å; A30-V32 PolarHBondContact O-N 3.45Å
31T48.9Very low60.4Low86 Ų8683.9 Ų83.953%0.52851%0.509SS..EExtended strand (participates in β ladder)trans-82.5107.1-178.1-600000108E6 E29 I33E6-T31 PolarHBondContact N-O 2.83Å; E6-T31 PolarHBondContact O-N 2.95Å; E29-T31 PolarHBondContact O-N 3.37Å; T31-I33 HydrophobicContact CG2-CG1 3.97Å; T31-I33 PolarHBondContact O-N 2.94Å
32V52.9Low62.3Low86 Ų8679.9 Ų79.952%0.52149%0.491SS..EExtended strand (participates in β ladder)trans-83.9107.6174.6-178.70000108.7T3 R4 T5 A30T3-V32 HydrophobicContact CG2-CG1 3.42Å; T3-V32 VanDerWaalsContact CG2-CG1 3.42Å; R4-V32 CarbonylContact O-C 3.6Å; R4-V32 WeakPolarHBondContact O-CA 3.38Å; T5-V32 HydrophobicContact CG2-CG2 4.44Å; A30-V32 PolarHBondContact O-N 3.45Å
33I59.9Low64.8Low60 Ų6081.7 Ų81.731%0.30848%0.48SS..EExtended strand (participates in β ladder)trans-96.9113.8174.2-53.7-171.2000108.4T3 R4 E6 T31 I40T3-I33 WeakPolarHBondContact CA-O 3.33Å; R4-I33 PolarHBondContact N-O 3.21Å; R4-I33 PolarHBondContact O-N 3.42Å; E6-I33 WeakPolarHBondContact OE2-CD1 3.36Å; T31-I33 HydrophobicContact CG2-CG1 3.97Å; T31-I33 PolarHBondContact O-N 2.94Å; I33-I40 HydrophobicContact CG2-CD1 4.14Å; I33-I40 HydrophobicContact CG2-CG1 4.25Å
34T69.1Low67.2Low76 Ų7677.5 Ų77.547%0.46645%0.451SS..EExtended strand (participates in β ladder)trans-106.6128.2169.2-60.50000109.3M1 V2 T3M1-T34 HydrophobicContact CB-CG2 4.35Å; M1-T34 HydrophobicContact SD-CG2 4.43Å; V2-T34 WeakPolarHBondContact O-CA 3.36Å; T3-T34 WeakPolarHBondContact CG2-OG1 3.29Å; T3-T34 WeakPolarHBondContact OG1-CG2 3.35Å; T3-T34 PolarHBondContact OG1-OG1 3.07Å
35G77.4Confident69.6Low17 Ų1772.2 Ų72.218%0.17543%0.427CS..EExtended strand (participates in β ladder)trans-170.1-172.4-176.900000114.3M1 V2M1-G35 CarbonylContact C-O 3.55Å; M1-G35 WeakPolarHBondContact CA-O 3.43Å; V2-G35 PolarHBondContact N-O 3.26Å; V2-G35 PolarHBondContact O-N 2.88Å
36V84.9Confident71.8Confident17 Ų1773.7 Ų73.710%0.10341%0.411CS..  trans-75.4128.8172.1179.20000108.3I38 V39 I40 L115 P124V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 HydrophobicContact CG1-CB 4.48Å; V36-I38 PolarHBondContact O-N 3.3Å; V36-V39 HydrophobicContact CB-CB 4.2Å; V36-V39 HydrophobicContact CB-CG2 3.92Å; V36-V39 HydrophobicContact CG1-CG2 4.31Å; V36-V39 WeakPolarHBondContact O-CB 3.45Å; V36-V39 PolarHBondContact O-N 3.44Å; V36-I40 PolarHBondContact O-N 2.96Å; V36-I40 VanDerWaalsContact O-N 3.08Å; V36-L115 HydrophobicContact CG1-CD1 4.33Å; V36-L115 HydrophobicContact CG2-CD1 4.04Å; V36-L115 HydrophobicContact CG2-CD2 3.8Å; V36-P124 HydrophobicContact CG1-CB 3.99Å; V36-P124 HydrophobicContact CG1-CG 3.99Å; V36-P124 HydrophobicContact CG2-CB 3.74Å; V36-P124 HydrophobicContact CG2-CG 4.03Å
37D85.6Confident74.3Confident65 Ų6568.6 Ų68.635%0.34839%0.386SS..Hα-helixtrans-56.1-42.2-173.5-176.472.4000113V2 R4 V39 I40 N41V2-D37 HydrophobicContact CG1-CB 3.88Å; V2-D37 HydrophobicContact CG2-CB 3.78Å; R4-D37 IonicContact CZ-OD1 3.91Å; R4-D37 IonicContact NH2-OD1 2.86Å; R4-D37 PolarHBondContact NH2-OD1 2.86Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.08Å; D37-I40 PolarHBondContact O-N 3.39Å; D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.86Å; D37-N41 PolarHBondContact O-ND2 3.1Å; D37-N41 PolarHBondContact OD1-ND2 3.46Å; D37-N41 VanDerWaalsContact OD1-ND2 3.1Å; D37-N41 PolarHBondContact OD2-ND2 3.19Å
38I85.4Confident76.5Confident73 Ų7371 Ų7137%0.37439%0.393SS..Hα-helixtrans-61.1-40175-74.6171.7000112V36 H42 L44 M126V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 HydrophobicContact CG1-CB 4.48Å; V36-I38 PolarHBondContact O-N 3.3Å; I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.7Å; I38-H42 VanDerWaalsContact O-CD2 3.28Å; I38-H42 PolarHBondContact O-N 3.44Å; I38-H42 VanDerWaalsContact O-N 3.1Å; I38-L44 HydrophobicContact CG2-CD1 4.1Å; I38-M126 HydrophobicContact CB-SD 4.33Å; I38-M126 HydrophobicContact CG2-SD 3.53Å; I38-M126 VanDerWaalsContact CG2-SD 3.53Å
39V86.1Confident78.9Confident23 Ų2369.6 Ų69.614%0.13938%0.38CS..Hα-helixtrans-65.5-44.5179.8170.60000110.1V36 D37 H43 L44 F101 M126V36-V39 HydrophobicContact CB-CB 4.2Å; V36-V39 HydrophobicContact CB-CG2 3.92Å; V36-V39 HydrophobicContact CG1-CG2 4.31Å; V36-V39 WeakPolarHBondContact O-CB 3.45Å; V36-V39 PolarHBondContact O-N 3.44Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.08Å; V39-H43 WeakPolarHBondContact O-CA 3.46Å; V39-H43 PolarHBondContact O-N 2.73Å; V39-H43 VanDerWaalsContact O-N 3.12Å; V39-L44 HydrophobicContact CB-CB 4.45Å; V39-L44 HydrophobicContact CG1-CB 4.19Å; V39-L44 HydrophobicContact CG2-CB 4.48Å; V39-L44 HydrophobicContact CG2-CD1 4.28Å; V39-L44 PolarHBondContact O-N 3.36Å; V39-F101 HydrophobicContact CB-CE1 4.43Å; V39-F101 HydrophobicContact CG1-CD1 4.09Å; V39-F101 HydrophobicContact CG1-CE1 3.63Å; V39-F101 HydrophobicContact CG1-CZ 4.38Å; V39-F101 HydrophobicContact CG2-CD1 4.1Å; V39-F101 HydrophobicContact CG2-CE1 3.87Å; V39-F101 HydrophobicContact CG2-CE2 4.43Å; V39-F101 HydrophobicContact CG2-CG 4.49Å; V39-F101 HydrophobicContact CG2-CZ 4.06Å; V39-M126 HydrophobicContact CG2-CE 4.47Å; V39-M126 HydrophobicContact CG2-SD 4.17Å
40I86.9Confident81.3Confident27 Ų2765.5 Ų65.514%0.13837%0.367CS..Hα-helixtrans-68.3-49.2-179.2-63.4165.4000110.9V2 I33 V36 D37 H42 H43V2-I40 HydrophobicContact CG2-CD1 3.74Å; I33-I40 HydrophobicContact CG2-CD1 4.14Å; I33-I40 HydrophobicContact CG2-CG1 4.25Å; V36-I40 PolarHBondContact O-N 2.96Å; V36-I40 VanDerWaalsContact O-N 3.08Å; D37-I40 PolarHBondContact O-N 3.39Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 3.39Å; I40-H43 PolarHBondContact O-N 3.29Å
41N87Confident83.3Confident65 Ų6567.5 Ų67.535%0.34837%0.367SS..Hα-helixtrans-68.6-29.1-176-73.5-33.6000114.1R4 D37R4-N41 PolarHBondContact NH1-OD1 2.85Å; R4-N41 PolarHBondContact NH2-ND2 2.68Å; R4-N41 PolarHBondContact NH2-OD1 3.02Å; D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.86Å; D37-N41 PolarHBondContact O-ND2 3.1Å; D37-N41 PolarHBondContact OD1-ND2 3.46Å; D37-N41 VanDerWaalsContact OD1-ND2 3.1Å; D37-N41 PolarHBondContact OD2-ND2 3.19Å
42H86.4Confident85.6Confident121 Ų12170.9 Ų70.956%0.5638%0.376SS*.THydrogen-bonded Turntrans-105.612.9-179.2-63.1-74.8000112.7I38 I40 L44I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.7Å; I38-H42 VanDerWaalsContact O-CD2 3.28Å; I38-H42 PolarHBondContact O-N 3.44Å; I38-H42 VanDerWaalsContact O-N 3.1Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 3.39Å; H42-L44 HydrophobicContact CB-CD2 4.1Å; H42-L44 HydrophobicContact CB-CG 4.06Å; H42-L44 PolarHBondContact O-N 3.3Å
43H87.5Confident87.6Confident106 Ų10669.1 Ų69.149%0.49137%0.368SS..THydrogen-bonded Turntrans46.841178.6-58.6-79.2000113V39 I40 Q45 E104V39-H43 WeakPolarHBondContact O-CA 3.46Å; V39-H43 PolarHBondContact O-N 2.73Å; V39-H43 VanDerWaalsContact O-N 3.12Å; I40-H43 PolarHBondContact O-N 3.29Å; H43-Q45 PolarHBondContact O-N 3.19Å; H43-Q45 PolarHBondContact O-NE2 2.89Å; H43-E104 HydrophobicContact CB-CB 4.17Å; H43-E104 HydrophobicContact CB-CG 3.98Å
44L91.9Very high89.4Confident25 Ų2566.3 Ų66.313%0.13135%0.353CS..PPolyproline II helixtrans-69.7133.4-177.8-59.5-176.5000109.8I38 V39 H42 F101 V102 M126I38-L44 HydrophobicContact CG2-CD1 4.1Å; V39-L44 HydrophobicContact CB-CB 4.45Å; V39-L44 HydrophobicContact CG1-CB 4.19Å; V39-L44 HydrophobicContact CG2-CB 4.48Å; V39-L44 HydrophobicContact CG2-CD1 4.28Å; V39-L44 PolarHBondContact O-N 3.36Å; H42-L44 HydrophobicContact CB-CD2 4.1Å; H42-L44 HydrophobicContact CB-CG 4.06Å; H42-L44 PolarHBondContact O-N 3.3Å; L44-F101 HydrophobicContact CB-CB 4.18Å; L44-F101 HydrophobicContact CB-CD1 3.93Å; L44-F101 HydrophobicContact CB-CG 4.4Å; L44-F101 HydrophobicContact CD1-CB 4.44Å; L44-V102 CarbonylContact C-O 2.85Å; L44-V102 WeakPolarHBondContact CA-O 3.39Å; L44-M126 HydrophobicContact CD1-CE 3.72Å; L44-M126 HydrophobicContact CD1-SD 3.76Å
45Q92.8Very high90.6Very high76 Ų7667.7 Ų67.736%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-97.1122.5-177.7-55.3-59.1-54.400109.4H43 F101 V102 M106H43-Q45 PolarHBondContact O-N 3.19Å; H43-Q45 PolarHBondContact O-NE2 2.89Å; Q45-F101 CarbonylContact O-C 3.59Å; Q45-F101 VanDerWaalsContact O-CA 3.31Å; Q45-F101 WeakPolarHBondContact O-CA 3.39Å; Q45-V102 HydrophobicContact CB-CG2 3.93Å; Q45-V102 PolarHBondContact N-O 3.4Å; Q45-V102 PolarHBondContact O-N 3.15Å; Q45-M106 HydrophobicContact CB-CE 4.38Å; Q45-M106 HydrophobicContact CB-CG 4.08Å; Q45-M106 HydrophobicContact CB-SD 4.45Å; Q45-M106 HydrophobicContact CG-CG 3.8Å; Q45-M106 HydrophobicContact CG-SD 4.25Å
46E93.3Very high91.5Very high113 Ų11374 Ų7453%0.52838%0.375SS..EExtended strand (participates in β ladder)trans-66.2137.4174.2-169.3171-171.400109.9Q99 F100 F101E46-Q99 PolarHBondContact OE1-NE2 3.36Å; E46-F100 CarbonylContact C-O 3.51Å; E46-F100 WeakPolarHBondContact CA-O 3.36Å; E46-F101 HydrophobicContact CB-CD1 4.1Å; E46-F101 HydrophobicContact CB-CE1 3.66Å; E46-F101 HydrophobicContact CB-CZ 4.11Å; E46-F101 HydrophobicContact CG-CE1 4.18Å; E46-F101 HydrophobicContact CG-CZ 4.13Å
47T93.8Very high92Very high44 Ų4474.5 Ų74.527%0.2738%0.376SS..EExtended strand (participates in β ladder)trans-134.1162.6175.7-170.20000110.1F49 F100 V102T47-F49 HydrophobicContact CG2-CD2 4.21Å; T47-F49 HydrophobicContact CG2-CE2 3.67Å; T47-F100 HydrophobicContact CG2-CB 3.86Å; T47-F100 PolarHBondContact N-O 3.37Å; T47-F100 WeakPolarHBondContact O-CB 3.5Å; T47-V102 HydrophobicContact CG2-CG1 3.97Å
48S93Very high92.5Very high110 Ų11071.7 Ų71.777%0.76936%0.361SS*.  trans-120.5136.1-177.9-73.60000110.9
49F94.4Very high92.9Very high49 Ų4974.5 Ų74.522%0.21537%0.37CS..  trans-121.8145.7173.2-74.9-86000111T47 Y54 Y57 F95 F100 V112T47-F49 HydrophobicContact CG2-CD2 4.21Å; T47-F49 HydrophobicContact CG2-CE2 3.67Å; F49-Y54 HydrophobicContact CB-CD2 4.46Å; F49-Y54 HydrophobicContact CD1-CD2 4.37Å; F49-Y54 HydrophobicContact CD2-CD2 4.16Å; F49-Y54 HydrophobicContact CG-CD2 4.09Å; F49-Y57 HydrophobicContact CE1-CD1 4.44Å; F49-Y57 HydrophobicContact CE1-CG 4.07Å; F49-Y57 HydrophobicContact CZ-CD1 4.28Å; F49-Y57 HydrophobicContact CZ-CD2 4.49Å; F49-Y57 HydrophobicContact CZ-CG 4.12Å; F49-F95 HydrophobicContact CB-CE2 4.38Å; F49-F95 HydrophobicContact CB-CZ 3.81Å; F49-F95 WeakPolarHBondContact O-CE1 3.5Å; F49-F95 VanDerWaalsContact O-CZ 3.28Å; F49-F95 WeakPolarHBondContact O-CZ 3.26Å; F49-F100 HydrophobicContact CD2-CB 3.97Å; F49-F100 AromaticContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD2 4.29Å; F49-F100 AromaticContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CE2-CB 4.28Å; F49-F100 HydrophobicContact CE2-CG 4.48Å; F49-V112 HydrophobicContact CE2-CG1 4.1Å; F49-V112 HydrophobicContact CE2-CG2 3.78Å; F49-V112 HydrophobicContact CZ-CG2 3.89Å
50T96.8Very high93.4Very high86 Ų8676.9 Ų76.953%0.52838%0.382SS..  trans-78.8155153.368.30000109.3E52 S53 Y54T50-E52 PolarHBondContact O-N 3.28Å; T50-E52 VanDerWaalsContact O-N 3.09Å; T50-S53 WeakPolarHBondContact CA-OG 3.08Å; T50-S53 PolarHBondContact N-OG 3.12Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.17Å; T50-S53 PolarHBondContact O-OG 2.89Å; T50-S53 WeakPolarHBondContact OG1-CB 3.43Å; T50-S53 PolarHBondContact OG1-N 2.81Å; T50-S53 VanDerWaalsContact OG1-N 3.07Å; T50-S53 PolarHBondContact OG1-OG 3.38Å; T50-Y54 PolarHBondContact O-N 3.32Å
51K95.5Very high93.8Very high93 Ų9376.1 Ų76.140%0.40438%0.378SS..Hα-helixtrans-57.2-30176.8-169.3167178.51650112.6K55 L92 F95K51-K55 VanDerWaalsContact O-CG 3.27Å; K51-K55 WeakPolarHBondContact O-CG 3.11Å; K51-K55 PolarHBondContact O-N 2.89Å; K51-L92 WeakPolarHBondContact CE-O 3.43Å; K51-L92 HydrophobicContact CG-CD2 3.97Å; K51-L92 PolarHBondContact NZ-O 3.42Å; K51-F95 HydrophobicContact CB-CD1 4.28Å; K51-F95 HydrophobicContact CB-CE1 4.35Å; K51-F95 HydrophobicContact CB-CG 4.43Å; K51-F95 HydrophobicContact CG-CG 4.4Å
52E95.9Very high94.2Very high157 Ų15774.5 Ų74.573%0.73437%0.368SS*.Hα-helixtrans-75.8-46176.4-67.1-173.895.700112.9T50 Y54 K55 K56T50-E52 PolarHBondContact O-N 3.28Å; T50-E52 VanDerWaalsContact O-N 3.09Å; E52-Y54 VanDerWaalsContact C-N 3.31Å; E52-Y54 PolarHBondContact O-N 2.5Å; E52-K55 WeakPolarHBondContact O-CB 3.09Å; E52-K55 PolarHBondContact O-N 3.29Å; E52-K56 PolarHBondContact O-N 3.35Å; E52-K56 VanDerWaalsContact O-N 3.12Å
53S96.3Very high94.6Very high49 Ų4974 Ų7434%0.34336%0.364SS..Hα-helixtrans-63.2-38.9176.453.20000111.4T50 K55 K56 Y57T50-S53 WeakPolarHBondContact CA-OG 3.08Å; T50-S53 PolarHBondContact N-OG 3.12Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.17Å; T50-S53 PolarHBondContact O-OG 2.89Å; T50-S53 WeakPolarHBondContact OG1-CB 3.43Å; T50-S53 PolarHBondContact OG1-N 2.81Å; T50-S53 VanDerWaalsContact OG1-N 3.07Å; T50-S53 PolarHBondContact OG1-OG 3.38Å; S53-K55 PolarHBondContact O-N 3.47Å; S53-K56 PolarHBondContact O-N 3.32Å; S53-Y57 WeakPolarHBondContact O-CB 3.44Å; S53-Y57 PolarHBondContact O-N 3.37Å
54Y96.4Very high95Very high1 Ų171.6 Ų71.60%0.00436%0.363CS..Hα-helixtrans-63.4-41.6174.7-171.9-104.6000112.5F49 T50 E52 K56 Y57 I58 I91 L92 F95 F100F49-Y54 HydrophobicContact CB-CD2 4.46Å; F49-Y54 HydrophobicContact CD1-CD2 4.37Å; F49-Y54 HydrophobicContact CD2-CD2 4.16Å; F49-Y54 HydrophobicContact CG-CD2 4.09Å; T50-Y54 PolarHBondContact O-N 3.32Å; E52-Y54 VanDerWaalsContact C-N 3.31Å; E52-Y54 PolarHBondContact O-N 2.5Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 3.12Å; Y54-Y57 HydrophobicContact CD2-CD1 4.01Å; Y54-Y57 AromaticContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CE1 4.2Å; Y54-Y57 PolarHBondContact O-N 3.4Å; Y54-I58 HydrophobicContact CE1-CB 4.3Å; Y54-I58 HydrophobicContact CE1-CG2 4.45Å; Y54-I58 WeakPolarHBondContact O-CB 2.96Å; Y54-I58 VanDerWaalsContact O-CG2 3.25Å; Y54-I58 WeakPolarHBondContact O-CG2 3.13Å; Y54-I58 PolarHBondContact O-N 3.07Å; Y54-I91 HydrophobicContact CE1-CG2 3.63Å; Y54-L92 HydrophobicContact CD1-CD2 3.9Å; Y54-F95 HydrophobicContact CD1-CD2 4.3Å; Y54-F95 AromaticContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD2-CE2 4.39Å; Y54-F95 HydrophobicContact CG-CD2 4.47Å; Y54-F95 AromaticContact CG-CE2 3.71Å; Y54-F95 HydrophobicContact CG-CE2 3.71Å; Y54-F100 HydrophobicContact CD2-CD1 4.09Å; Y54-F100 AromaticContact CD2-CE1 3.69Å; Y54-F100 HydrophobicContact CD2-CE1 3.69Å; Y54-F100 AromaticContact CE2-CD1 3.88Å; Y54-F100 HydrophobicContact CE2-CD1 3.88Å; Y54-F100 AromaticContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CG-CE1 4.31Å
55K95.8Very high95.1Very high105 Ų10571 Ų7146%0.45736%0.36SS..Hα-helixtrans-59.2-39.1174.8-79.9173.9-178.6-179.20112.2K51 E52 S53 K59 L92K51-K55 VanDerWaalsContact O-CG 3.27Å; K51-K55 WeakPolarHBondContact O-CG 3.11Å; K51-K55 PolarHBondContact O-N 2.89Å; E52-K55 WeakPolarHBondContact O-CB 3.09Å; E52-K55 PolarHBondContact O-N 3.29Å; S53-K55 PolarHBondContact O-N 3.47Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.09Å; K55-L92 HydrophobicContact CG-CD1 3.93Å; K55-L92 HydrophobicContact CG-CD2 3.75Å
56K96.1Very high95.3Very high148 Ų14871.2 Ų71.264%0.64336%0.359SS*.Hα-helixtrans-67.5-54.2176.5-175-176.8176-171.30110.3E52 S53 Y54 I58 K59 D60E52-K56 PolarHBondContact O-N 3.35Å; E52-K56 VanDerWaalsContact O-N 3.12Å; S53-K56 PolarHBondContact O-N 3.32Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 3.12Å; K56-I58 PolarHBondContact O-N 2.82Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.02Å; K56-D60 PolarHBondContact O-N 3.16Å; K56-D60 VanDerWaalsContact O-N 3.15Å
57Y96.1Very high95.4Very high28 Ų2868.5 Ų68.511%0.1136%0.356CS..Hα-helixtrans-51-55.1177.9160.8-99000111.7F49 S53 Y54 K59 D60 Y61 P108 G110 M111 V112F49-Y57 HydrophobicContact CE1-CD1 4.44Å; F49-Y57 HydrophobicContact CE1-CG 4.07Å; F49-Y57 HydrophobicContact CZ-CD1 4.28Å; F49-Y57 HydrophobicContact CZ-CD2 4.49Å; F49-Y57 HydrophobicContact CZ-CG 4.12Å; S53-Y57 WeakPolarHBondContact O-CB 3.44Å; S53-Y57 PolarHBondContact O-N 3.37Å; Y54-Y57 HydrophobicContact CD2-CD1 4.01Å; Y54-Y57 AromaticContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CE1 4.2Å; Y54-Y57 PolarHBondContact O-N 3.4Å; Y57-K59 PolarHBondContact O-N 3.06Å; Y57-D60 PolarHBondContact O-N 3.35Å; Y57-Y61 WeakPolarHBondContact O-CB 3.22Å; Y57-Y61 PolarHBondContact O-N 3.07Å; Y57-P108 WeakPolarHBondContact CE2-O 3.27Å; Y57-G110 WeakPolarHBondContact CE2-O 3.48Å; Y57-G110 PolarHBondContact OH-O 2.98Å; Y57-M111 WeakPolarHBondContact OH-CA 3.34Å; Y57-V112 HydrophobicContact CD1-CG2 4.26Å; Y57-V112 HydrophobicContact CE1-CB 3.76Å; Y57-V112 HydrophobicContact CE1-CG2 3.53Å; Y57-V112 HydrophobicContact CE2-CG2 3.92Å; Y57-V112 WeakPolarHBondContact OH-CG2 3.31Å; Y57-V112 PolarHBondContact OH-N 3.43Å
58I95.8Very high95.4Very high7 Ų771 Ų714%0.03636%0.361CS..Hα-helixtrans-66.8-29.9-173-162.761.1000112.2Y54 K56 Y61 M62 I88 F129Y54-I58 HydrophobicContact CE1-CB 4.3Å; Y54-I58 HydrophobicContact CE1-CG2 4.45Å; Y54-I58 WeakPolarHBondContact O-CB 2.96Å; Y54-I58 VanDerWaalsContact O-CG2 3.25Å; Y54-I58 WeakPolarHBondContact O-CG2 3.13Å; Y54-I58 PolarHBondContact O-N 3.07Å; K56-I58 PolarHBondContact O-N 2.82Å; I58-Y61 HydrophobicContact CD1-CD1 3.96Å; I58-M62 WeakPolarHBondContact O-CB 3.5Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.33Å; I58-M62 PolarHBondContact O-N 2.92Å; I58-I88 HydrophobicContact CD1-CD1 4.29Å; I58-I88 HydrophobicContact CD1-CG1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 3.46Å; I58-I88 VanDerWaalsContact CG1-CD1 3.46Å; I58-I88 HydrophobicContact CG1-CG1 3.68Å; I58-I88 HydrophobicContact CG1-CG2 4.45Å; I58-I88 HydrophobicContact CG2-CD1 4.46Å; I58-I88 HydrophobicContact CG2-CG2 4.05Å; I58-F129 HydrophobicContact CD1-CE2 3.84Å; I58-F129 HydrophobicContact CD1-CZ 4.22Å
59K94.1Very high95.6Very high132 Ų13266.1 Ų66.157%0.57433%0.326SS*.Hα-helixtrans-66.8-42.1174.4-177-179-179.4-178.60111.2K55 K56 Y57 K63K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.09Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.02Å; Y57-K59 PolarHBondContact O-N 3.06Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.82Å
60D95.4Very high95.7Very high72 Ų7268.7 Ų68.739%0.38534%0.339SS..Hα-helixtrans-73.9-40.3179.6-66.6-28.9000111K56 Y57 M62 K63 A64K56-D60 PolarHBondContact O-N 3.16Å; K56-D60 VanDerWaalsContact O-N 3.15Å; Y57-D60 PolarHBondContact O-N 3.35Å; D60-M62 PolarHBondContact O-N 2.95Å; D60-K63 WeakPolarHBondContact O-CB 3.29Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 IonicContact OD1-NZ 2.78Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å; D60-A64 PolarHBondContact O-N 3.27Å; D60-A64 VanDerWaalsContact O-N 3.07Å
61Y95.9Very high95.7Very high12 Ų1271.9 Ų71.95%0.04735%0.348CS..Hα-helixtrans-56.2-47.5170.6178.7-102.5000112.5Y57 I58 K63 A64 I65 M111 F129Y57-Y61 WeakPolarHBondContact O-CB 3.22Å; Y57-Y61 PolarHBondContact O-N 3.07Å; I58-Y61 HydrophobicContact CD1-CD1 3.96Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 3.15Å; Y61-A64 PolarHBondContact O-N 3.29Å; Y61-A64 VanDerWaalsContact O-N 3.16Å; Y61-I65 HydrophobicContact CD1-CG1 4.37Å; Y61-I65 HydrophobicContact CD2-CG1 4.48Å; Y61-I65 HydrophobicContact CE1-CG1 3.84Å; Y61-I65 HydrophobicContact CE2-CD1 4.03Å; Y61-I65 HydrophobicContact CE2-CG1 3.95Å; Y61-I65 PolarHBondContact O-N 2.97Å; Y61-M111 HydrophobicContact CE2-CB 3.93Å; Y61-M111 HydrophobicContact CE2-CG 4.37Å; Y61-M111 WeakPolarHBondContact OH-CE 3.5Å; Y61-F129 HydrophobicContact CE1-CB 4.39Å; Y61-F129 AromaticContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CG 4.31Å
62M94.9Very high95.6Very high30 Ų3072.9 Ų72.915%0.14835%0.354CS..Hα-helixtrans-58.9-39176.6-82-168.873.700112.8I58 D60 K66 M81 A84 I88I58-M62 WeakPolarHBondContact O-CB 3.5Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.33Å; I58-M62 PolarHBondContact O-N 2.92Å; D60-M62 PolarHBondContact O-N 2.95Å; M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.41Å; M62-K66 PolarHBondContact O-N 3.21Å; M62-M81 HydrophobicContact CB-CE 4.36Å; M62-M81 HydrophobicContact CE-CE 3.65Å; M62-M81 HydrophobicContact CE-SD 3.68Å; M62-M81 WeakPolarHBondContact O-CE 3.25Å; M62-A84 HydrophobicContact CE-CB 3.82Å; M62-A84 HydrophobicContact SD-CB 4.3Å; M62-I88 HydrophobicContact CG-CD1 3.94Å; M62-I88 HydrophobicContact SD-CD1 3.19Å; M62-I88 WeakPolarHBondContact SD-CD1 3.49Å
63K94.8Very high95.5Very high111 Ų11171 Ų7148%0.48334%0.343SS..Hα-helixtrans-65.4-42.1176.9-67.9168.8-167.61590111.2K59 D60 Y61 K66 A67K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.82Å; D60-K63 WeakPolarHBondContact O-CB 3.29Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 IonicContact OD1-NZ 2.78Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 3.15Å; K63-K66 WeakPolarHBondContact O-CB 3.19Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-A67 PolarHBondContact O-N 3.45Å
64A95.4Very high95.5Very high56 Ų5672.4 Ų72.446%0.46335%0.351SS..Hα-helixtrans-61.6-47.5178.600000111.3D60 Y61 K66 A67 R68D60-A64 PolarHBondContact O-N 3.27Å; D60-A64 VanDerWaalsContact O-N 3.07Å; Y61-A64 PolarHBondContact O-N 3.29Å; Y61-A64 VanDerWaalsContact O-N 3.16Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.24Å; A64-A67 PolarHBondContact O-N 3.33Å; A64-R68 PolarHBondContact O-N 3.08Å; A64-R68 VanDerWaalsContact O-N 3.08Å
65I95.3Very high95.5Very high13 Ų1378.6 Ų78.67%0.06738%0.38CS..Hα-helixtrans-64.8-40175.9-59.8-51.9000111.3Y61 A67 R68 L69 F80 D131Y61-I65 HydrophobicContact CD1-CG1 4.37Å; Y61-I65 HydrophobicContact CD2-CG1 4.48Å; Y61-I65 HydrophobicContact CE1-CG1 3.84Å; Y61-I65 HydrophobicContact CE2-CD1 4.03Å; Y61-I65 HydrophobicContact CE2-CG1 3.95Å; Y61-I65 PolarHBondContact O-N 2.97Å; I65-A67 PolarHBondContact O-N 3.35Å; I65-R68 PolarHBondContact O-N 3.38Å; I65-L69 HydrophobicContact CG2-CD1 3.94Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CB 3.27Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.95Å; I65-F80 HydrophobicContact CB-CE1 3.66Å; I65-F80 HydrophobicContact CB-CZ 3.87Å; I65-F80 HydrophobicContact CG1-CZ 4.34Å; I65-F80 HydrophobicContact CG2-CD1 3.85Å; I65-F80 HydrophobicContact CG2-CE1 3.33Å; I65-F80 HydrophobicContact CG2-CE2 4.16Å; I65-F80 HydrophobicContact CG2-CG 4.47Å; I65-F80 HydrophobicContact CG2-CZ 3.52Å; I65-D131 HydrophobicContact CG2-CB 4.38Å
66K95.4Very high95.6Very high79 Ų7977.9 Ų77.934%0.34337%0.374SS..Hα-helixtrans-56-50.8175.6-169.6-173.2163.1-164.50111.5M62 K63 A64 R68 L69 E70 V77 M81M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.41Å; M62-K66 PolarHBondContact O-N 3.21Å; K63-K66 WeakPolarHBondContact O-CB 3.19Å; K63-K66 PolarHBondContact O-N 3.49Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.24Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.43Å; K66-L69 PolarHBondContact O-N 3.1Å; K66-E70 WeakPolarHBondContact CE-OE1 3.35Å; K66-E70 IonicContact NZ-OE1 3.39Å; K66-E70 PolarHBondContact NZ-OE1 2.88Å; K66-E70 WeakPolarHBondContact O-CG 3.08Å; K66-E70 PolarHBondContact O-N 2.83Å; K66-V77 HydrophobicContact CG-CG1 3.98Å; K66-M81 HydrophobicContact CB-CE 3.61Å; K66-M81 HydrophobicContact CB-SD 4.26Å; K66-M81 HydrophobicContact CD-CE 4.43Å; K66-M81 HydrophobicContact CD-SD 3.96Å; K66-M81 HydrophobicContact CG-CE 4.02Å; K66-M81 HydrophobicContact CG-SD 4.15Å
67A96.3Very high95.6Very high56 Ų5671.8 Ų71.846%0.46335%0.35SS..Hα-helixtrans-60.3-43.6-179.800000111.4K63 A64 I65 L69 E70 E71K63-A67 PolarHBondContact O-N 3.45Å; A64-A67 PolarHBondContact O-N 3.33Å; I65-A67 PolarHBondContact O-N 3.35Å; A67-L69 PolarHBondContact O-N 3.25Å; A67-E70 PolarHBondContact O-N 3.19Å; A67-E71 PolarHBondContact O-N 2.91Å
68R94.7Very high95.5Very high97 Ų9778.3 Ų78.337%0.36638%0.379SS..Hα-helixtrans-61.1-42.7175.2-172.8-177-172.8171.612.2112.5A64 I65 K66 E71 H72 E134A64-R68 PolarHBondContact O-N 3.08Å; A64-R68 VanDerWaalsContact O-N 3.08Å; I65-R68 PolarHBondContact O-N 3.38Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.43Å; R68-E71 PolarHBondContact O-N 3.38Å; R68-H72 PolarHBondContact O-CD2 2.98Å; R68-H72 VanDerWaalsContact O-CD2 3.26Å; R68-H72 PolarHBondContact O-N 3.12Å; R68-H72 VanDerWaalsContact O-N 3.07Å; R68-E134 IonicContact CZ-OE1 3.86Å; R68-E134 IonicContact CZ-OE2 3.1Å; R68-E134 IonicContact NH1-OE2 2.87Å; R68-E134 IonicContact NH2-OE1 3.81Å; R68-E134 PolarHBondContact NH2-OE1 3.47Å; R68-E134 IonicContact NH2-OE2 3.47Å; R68-E134 PolarHBondContact NH2-OE2 2.72Å
69L96.3Very high95.5Very high8 Ų881.1 Ų81.14%0.04240%0.397CS..Hα-helixtrans-67.9-39177.4-70.2177.9000111.5I65 K66 A67 E71 H72 K73 P74 R76 V77 F80 D131I65-L69 HydrophobicContact CG2-CD1 3.94Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CB 3.27Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.95Å; K66-L69 PolarHBondContact O-N 3.1Å; A67-L69 PolarHBondContact O-N 3.25Å; L69-E71 PolarHBondContact O-N 3.23Å; L69-H72 PolarHBondContact O-N 3.18Å; L69-K73 HydrophobicContact CD2-CB 4.2Å; L69-K73 CarbonylContact O-C 3.58Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 PolarHBondContact O-N 2.87Å; L69-P74 VanDerWaalsContact O-CA 3.31Å; L69-P74 WeakPolarHBondContact O-CA 3Å; L69-R76 HydrophobicContact CD1-CB 4.3Å; L69-R76 HydrophobicContact CD2-CB 4.01Å; L69-V77 HydrophobicContact CB-CG2 3.61Å; L69-F80 HydrophobicContact CD1-CB 3.71Å; L69-F80 HydrophobicContact CD1-CD1 3.69Å; L69-F80 HydrophobicContact CD1-CG 3.8Å; L69-D131 HydrophobicContact CD1-CB 4.07Å; L69-D131 HydrophobicContact CD2-CB 4.27Å
70E96.5Very high95.6Very high103 Ų10375.2 Ų75.248%0.48137%0.372SS..Hα-helixtrans-59-35.2175.7-75.3174.215200111.9K66 A67 V77K66-E70 WeakPolarHBondContact CE-OE1 3.35Å; K66-E70 IonicContact NZ-OE1 3.39Å; K66-E70 PolarHBondContact NZ-OE1 2.88Å; K66-E70 WeakPolarHBondContact O-CG 3.08Å; K66-E70 PolarHBondContact O-N 2.83Å; A67-E70 PolarHBondContact O-N 3.19Å; E70-V77 HydrophobicContact CB-CG2 4.44Å; E70-V77 HydrophobicContact CG-CG1 4.41Å; E70-V77 HydrophobicContact CG-CG2 3.66Å
71E96.1Very high95.5Very high152 Ų15274 Ų7471%0.7136%0.364SS*.Hα-helixtrans-77.7-44.4178.3-171.9170.8107.300113.4A67 R68 L69A67-E71 PolarHBondContact O-N 2.91Å; R68-E71 PolarHBondContact O-N 3.38Å; L69-E71 PolarHBondContact O-N 3.23Å
72H94.4Very high95.5Very high115 Ų11577.1 Ų77.153%0.53239%0.385SS..Hα-helixtrans-106.2-30.5-169-59.1-61.2000115.1R68 L69R68-H72 PolarHBondContact O-CD2 2.98Å; R68-H72 VanDerWaalsContact O-CD2 3.26Å; R68-H72 PolarHBondContact O-N 3.12Å; R68-H72 VanDerWaalsContact O-N 3.07Å; L69-H72 PolarHBondContact O-N 3.18Å
73K94.6Very high95.5Very high116 Ų11677.4 Ų77.450%0.50440%0.395SS..  trans-148.460.5-171.8-63-179.6-175.7164.90110.7L69 E75 R76L69-K73 HydrophobicContact CD2-CB 4.2Å; L69-K73 CarbonylContact O-C 3.58Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 PolarHBondContact O-N 2.87Å; K73-E75 VanDerWaalsContact C-OE2 3.24Å; K73-E75 PolarHBondContact O-N 2.78Å; K73-E75 VanDerWaalsContact O-N 3.07Å; K73-R76 HydrophobicContact CB-CB 4.24Å; K73-R76 HydrophobicContact CB-CG 4.01Å; K73-R76 WeakPolarHBondContact O-CB 3.37Å; K73-R76 PolarHBondContact O-N 2.86Å
74P95.7Very high95.4Very high79 Ų7972.3 Ų72.351%0.51337%0.374SS..Hα-helixtrans-58.5-28.5-169.721.7-33.8000113.1L69 R76 V77L69-P74 VanDerWaalsContact O-CA 3.31Å; L69-P74 WeakPolarHBondContact O-CA 3Å; P74-R76 PolarHBondContact O-N 2.83Å; P74-V77 WeakPolarHBondContact O-CB 3.34Å; P74-V77 VanDerWaalsContact O-CG2 3.29Å; P74-V77 WeakPolarHBondContact O-CG2 3.42Å; P74-V77 PolarHBondContact O-N 3.47Å
75E96.6Very high95.4Very high132 Ų13271.6 Ų71.662%0.61737%0.368SS*.Hα-helixtrans-63.3-23.5175.271.9-75.6176.200113.8K73 P79K73-E75 VanDerWaalsContact C-OE2 3.24Å; K73-E75 PolarHBondContact O-N 2.78Å; K73-E75 VanDerWaalsContact O-N 3.07Å; E75-P79 WeakPolarHBondContact O-CD 3.28Å
76R96.4Very high95.4Very high89 Ų8977 Ų7734%0.33639%0.393SS..Hα-helixtrans-84-15.5178.3-67.1-64.8-58.8161.34.9113.5L69 K73 P74 K78 P79 F80 D131L69-R76 HydrophobicContact CD1-CB 4.3Å; L69-R76 HydrophobicContact CD2-CB 4.01Å; K73-R76 HydrophobicContact CB-CB 4.24Å; K73-R76 HydrophobicContact CB-CG 4.01Å; K73-R76 WeakPolarHBondContact O-CB 3.37Å; K73-R76 PolarHBondContact O-N 2.86Å; P74-R76 PolarHBondContact O-N 2.83Å; R76-K78 PolarHBondContact O-N 2.93Å; R76-P79 WeakPolarHBondContact O-CD 3.45Å; R76-F80 VanDerWaalsContact O-CB 3.25Å; R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.03Å; R76-D131 IonicContact CZ-OD1 3.66Å; R76-D131 IonicContact CZ-OD2 2.68Å; R76-D131 IonicContact NE-OD1 2.94Å; R76-D131 PolarHBondContact NE-OD1 3.39Å; R76-D131 IonicContact NH2-OD1 3.98Å; R76-D131 PolarHBondContact NH2-OD1 2.87Å; R76-D131 VanDerWaalsContact NH2-OD1 3.1Å; R76-D131 IonicContact NH2-OD2 2.8Å; R76-D131 PolarHBondContact NH2-OD2 2.82Å
77V95.9Very high95.3Very high20 Ų2076.4 Ų76.412%0.12139%0.391CS..Hα-helixtrans-56.2-53-176173.70000111.7K66 L69 E70 P74 F80 M81K66-V77 HydrophobicContact CG-CG1 3.98Å; L69-V77 HydrophobicContact CB-CG2 3.61Å; E70-V77 HydrophobicContact CB-CG2 4.44Å; E70-V77 HydrophobicContact CG-CG1 4.41Å; E70-V77 HydrophobicContact CG-CG2 3.66Å; P74-V77 WeakPolarHBondContact O-CB 3.34Å; P74-V77 VanDerWaalsContact O-CG2 3.29Å; P74-V77 WeakPolarHBondContact O-CG2 3.42Å; P74-V77 PolarHBondContact O-N 3.47Å; V77-F80 PolarHBondContact O-N 3.46Å; V77-M81 HydrophobicContact CG1-CG 4.34Å; V77-M81 WeakPolarHBondContact O-CB 3.43Å; V77-M81 WeakPolarHBondContact O-CG 3.5Å; V77-M81 PolarHBondContact O-N 2.61Å
78K95.3Very high95.3Very high166 Ų16674.5 Ų74.572%0.72237%0.373SS*.Hα-helixtrans-66.7-50.1-176.7-179.3-179.6-178.4-177.10112.3R76 F80 M81 T82R76-K78 PolarHBondContact O-N 2.93Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.3Å; K78-M81 PolarHBondContact O-N 3.06Å; K78-T82 PolarHBondContact O-N 3.44Å; K78-T82 VanDerWaalsContact O-N 3.12Å; K78-T82 PolarHBondContact O-OG1 3.01Å
79P96.1Very high95.3Very high66 Ų6677.1 Ų77.143%0.42939%0.387SS..Hα-helixtrans-54.3-44.2173.7-26.833.6000113.4E75 R76 G83E75-P79 WeakPolarHBondContact O-CD 3.28Å; R76-P79 WeakPolarHBondContact O-CD 3.45Å; P79-G83 PolarHBondContact O-N 2.78Å
80F95.3Very high95.3Very high8 Ų881.1 Ų81.14%0.03541%0.405CS..Hα-helixtrans-64.7-50.3179.5173.6-111.4000111.7I65 L69 R76 V77 K78 T82 G83 A84 F129 D131I65-F80 HydrophobicContact CB-CE1 3.66Å; I65-F80 HydrophobicContact CB-CZ 3.87Å; I65-F80 HydrophobicContact CG1-CZ 4.34Å; I65-F80 HydrophobicContact CG2-CD1 3.85Å; I65-F80 HydrophobicContact CG2-CE1 3.33Å; I65-F80 HydrophobicContact CG2-CE2 4.16Å; I65-F80 HydrophobicContact CG2-CG 4.47Å; I65-F80 HydrophobicContact CG2-CZ 3.52Å; L69-F80 HydrophobicContact CD1-CB 3.71Å; L69-F80 HydrophobicContact CD1-CD1 3.69Å; L69-F80 HydrophobicContact CD1-CG 3.8Å; R76-F80 VanDerWaalsContact O-CB 3.25Å; R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.03Å; V77-F80 PolarHBondContact O-N 3.46Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.3Å; F80-T82 VanDerWaalsContact C-N 3.31Å; F80-T82 PolarHBondContact O-N 2.85Å; F80-G83 PolarHBondContact O-N 2.6Å; F80-A84 HydrophobicContact CD2-CB 4.29Å; F80-A84 HydrophobicContact CE2-CB 3.98Å; F80-A84 HydrophobicContact CZ-CB 4.14Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.23Å; F80-F129 HydrophobicContact CE2-CB 4.37Å; F80-F129 HydrophobicContact CE2-CD1 4.23Å; F80-D131 HydrophobicContact CB-CB 4.38Å; F80-D131 HydrophobicContact CD2-CB 3.63Å; F80-D131 HydrophobicContact CE2-CB 4.13Å; F80-D131 HydrophobicContact CG-CB 4.04Å
81M94.4Very high95.2Very high45 Ų4576.2 Ų76.222%0.22238%0.382CS..Hα-helixtrans-59.1-40.6-178.9-71.1-72.911000112.5M62 K66 V77 K78 A85M62-M81 HydrophobicContact CB-CE 4.36Å; M62-M81 HydrophobicContact CE-CE 3.65Å; M62-M81 HydrophobicContact CE-SD 3.68Å; M62-M81 WeakPolarHBondContact O-CE 3.25Å; K66-M81 HydrophobicContact CB-CE 3.61Å; K66-M81 HydrophobicContact CB-SD 4.26Å; K66-M81 HydrophobicContact CD-CE 4.43Å; K66-M81 HydrophobicContact CD-SD 3.96Å; K66-M81 HydrophobicContact CG-CE 4.02Å; K66-M81 HydrophobicContact CG-SD 4.15Å; V77-M81 HydrophobicContact CG1-CG 4.34Å; V77-M81 WeakPolarHBondContact O-CB 3.43Å; V77-M81 WeakPolarHBondContact O-CG 3.5Å; V77-M81 PolarHBondContact O-N 2.61Å; K78-M81 PolarHBondContact O-N 3.06Å; M81-A85 VanDerWaalsContact O-CB 3.27Å; M81-A85 WeakPolarHBondContact O-CB 3.13Å; M81-A85 PolarHBondContact O-N 2.96Å
82T95.1Very high95.2Very high79 Ų7970.2 Ų70.249%0.48536%0.355SS..Hα-helixtrans-68.5-54.4177.4-61.30000111.4K78 F80 A84 A85 E86K78-T82 PolarHBondContact O-N 3.44Å; K78-T82 VanDerWaalsContact O-N 3.12Å; K78-T82 PolarHBondContact O-OG1 3.01Å; F80-T82 VanDerWaalsContact C-N 3.31Å; F80-T82 PolarHBondContact O-N 2.85Å; T82-A84 PolarHBondContact O-N 3.15Å; T82-A85 PolarHBondContact O-N 3.16Å; T82-E86 PolarHBondContact O-N 2.75Å
83G94.4Very high95.3Very high36 Ų3668.3 Ų68.337%0.37136%0.359SS..Hα-helixtrans-65.3-39.6-17700000112.9P79 F80 A85 E86 Q87P79-G83 PolarHBondContact O-N 2.78Å; F80-G83 PolarHBondContact O-N 2.6Å; G83-A85 PolarHBondContact O-N 2.93Å; G83-E86 PolarHBondContact O-N 3.26Å; G83-Q87 WeakPolarHBondContact O-CB 3.48Å; G83-Q87 PolarHBondContact O-N 2.87Å
84A94.1Very high95.3Very high4 Ų465.4 Ų65.43%0.03335%0.349CS..Hα-helixtrans-63.1-42.3175.600000111.2M62 F80 T82 E86 Q87 I88 F129M62-A84 HydrophobicContact CE-CB 3.82Å; M62-A84 HydrophobicContact SD-CB 4.3Å; F80-A84 HydrophobicContact CD2-CB 4.29Å; F80-A84 HydrophobicContact CE2-CB 3.98Å; F80-A84 HydrophobicContact CZ-CB 4.14Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.23Å; T82-A84 PolarHBondContact O-N 3.15Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.18Å; A84-Q87 PolarHBondContact O-N 2.88Å; A84-I88 HydrophobicContact CB-CD1 4.43Å; A84-I88 WeakPolarHBondContact O-CB 3.26Å; A84-I88 VanDerWaalsContact O-CD1 3.29Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.84Å; A84-F129 HydrophobicContact CB-CE1 4.2Å
85A94.1Very high95.2Very high40 Ų4062.9 Ų62.933%0.33133%0.33SS..Hα-helixtrans-62-38.3178.500000112.7M81 T82 G83 K89M81-A85 VanDerWaalsContact O-CB 3.27Å; M81-A85 WeakPolarHBondContact O-CB 3.13Å; M81-A85 PolarHBondContact O-N 2.96Å; T82-A85 PolarHBondContact O-N 3.16Å; G83-A85 PolarHBondContact O-N 2.93Å; A85-K89 WeakPolarHBondContact O-CG 3.38Å; A85-K89 PolarHBondContact O-N 2.86Å
86E95.4Very high95.1Very high128 Ų12866.2 Ų66.260%0.59834%0.343SS*.Hα-helixtrans-66.6-47.5174.3-67.5-17711600111.4T82 G83 A84 I88 K89 H90T82-E86 PolarHBondContact O-N 2.75Å; G83-E86 PolarHBondContact O-N 3.26Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.18Å; E86-I88 VanDerWaalsContact C-N 3.31Å; E86-I88 PolarHBondContact O-N 2.9Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.95Å; E86-H90 PolarHBondContact O-N 3.46Å; E86-H90 VanDerWaalsContact O-N 3.14Å
87Q94.6Very high94.9Very high65 Ų6566.5 Ų66.530%0.30435%0.351SS..Hα-helixtrans-63.7-37.8179.7-169.962.34.500112.2G83 A84 K89 H90 I91 F129G83-Q87 WeakPolarHBondContact O-CB 3.48Å; G83-Q87 PolarHBondContact O-N 2.87Å; A84-Q87 PolarHBondContact O-N 2.88Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 3.07Å; Q87-H90 WeakPolarHBondContact O-CB 3.42Å; Q87-H90 PolarHBondContact O-N 2.94Å; Q87-H90 VanDerWaalsContact O-N 3.17Å; Q87-I91 HydrophobicContact CG-CD1 4Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.24Å; Q87-I91 PolarHBondContact O-N 3.38Å; Q87-F129 HydrophobicContact CB-CE1 4.48Å; Q87-F129 HydrophobicContact CG-CE1 4.43Å
88I94.8Very high94.8Very high16 Ų1666.1 Ų66.18%0.08235%0.347CS..Hα-helixtrans-64.9-38.4176.7-68.8163.3000111.3I58 M62 A84 E86 H90 I91 L92 F129I58-I88 HydrophobicContact CD1-CD1 4.29Å; I58-I88 HydrophobicContact CD1-CG1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 3.46Å; I58-I88 VanDerWaalsContact CG1-CD1 3.46Å; I58-I88 HydrophobicContact CG1-CG1 3.68Å; I58-I88 HydrophobicContact CG1-CG2 4.45Å; I58-I88 HydrophobicContact CG2-CD1 4.46Å; I58-I88 HydrophobicContact CG2-CG2 4.05Å; M62-I88 HydrophobicContact CG-CD1 3.94Å; M62-I88 HydrophobicContact SD-CD1 3.19Å; M62-I88 WeakPolarHBondContact SD-CD1 3.49Å; A84-I88 HydrophobicContact CB-CD1 4.43Å; A84-I88 WeakPolarHBondContact O-CB 3.26Å; A84-I88 VanDerWaalsContact O-CD1 3.29Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.84Å; E86-I88 VanDerWaalsContact C-N 3.31Å; E86-I88 PolarHBondContact O-N 2.9Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 3.17Å; I88-I91 PolarHBondContact O-N 2.8Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.28Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.45Å; I88-F129 HydrophobicContact CG1-CZ 4.3Å
89K95.6Very high94.8Very high152 Ų15261.7 Ų61.766%0.66133%0.329SS*.Hα-helixtrans-60.4-43.5173.3-71.5170.2-174.3175.20110.8A85 E86 Q87 L92 A93A85-K89 WeakPolarHBondContact O-CG 3.38Å; A85-K89 PolarHBondContact O-N 2.86Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.95Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 3.07Å; K89-L92 PolarHBondContact O-N 3.39Å; K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 2.85Å
90H95.3Very high94.8Very high92 Ų9259 Ų5943%0.42631%0.311SS..Hα-helixtrans-63.2-46.7177.3-173.380.2000112E86 Q87 I88 L92 A93 N94 Y98E86-H90 PolarHBondContact O-N 3.46Å; E86-H90 VanDerWaalsContact O-N 3.14Å; Q87-H90 WeakPolarHBondContact O-CB 3.42Å; Q87-H90 PolarHBondContact O-N 2.94Å; Q87-H90 VanDerWaalsContact O-N 3.17Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 3.17Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.14Å; H90-A93 WeakPolarHBondContact O-CB 3.3Å; H90-A93 PolarHBondContact O-N 2.86Å; H90-N94 PolarHBondContact CE1-ND2 3.47Å; H90-N94 PolarHBondContact NE2-ND2 3.18Å; H90-N94 PolarHBondContact O-N 3.23Å; H90-N94 VanDerWaalsContact O-N 3.09Å; H90-N94 PolarHBondContact O-ND2 2.92Å; H90-Y98 PolarHBondContact CD2-OH 2.84Å
91I95Very high94.8Very high0 Ų059.2 Ų59.20%031%0.312CS..Hα-helixtrans-58.7-46.3176.4-67.2159.7000110.8Y54 Q87 I88 A93 N94 F95 Y98 L114 F129Y54-I91 HydrophobicContact CE1-CG2 3.63Å; Q87-I91 HydrophobicContact CG-CD1 4Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.24Å; Q87-I91 PolarHBondContact O-N 3.38Å; I88-I91 PolarHBondContact O-N 2.8Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.85Å; I91-N94 CarbonylContact O-C 3.35Å; I91-N94 PolarHBondContact O-N 2.9Å; I91-F95 WeakPolarHBondContact O-CA 3.35Å; I91-F95 PolarHBondContact O-N 3.23Å; I91-Y98 HydrophobicContact CB-CE2 4.33Å; I91-Y98 HydrophobicContact CG1-CE2 4.32Å; I91-Y98 HydrophobicContact CG2-CD2 4.13Å; I91-Y98 HydrophobicContact CG2-CE2 4.28Å; I91-L114 HydrophobicContact CD1-CD1 3.58Å; I91-L114 HydrophobicContact CD1-CD2 4.43Å; I91-L114 HydrophobicContact CG1-CD1 4.22Å; I91-L114 HydrophobicContact CG1-CD2 4.43Å; I91-L114 HydrophobicContact CG2-CD2 3.68Å; I91-F129 HydrophobicContact CD1-CZ 4.31Å
92L95.7Very high94.8Very high27 Ų2757.7 Ų57.714%0.14131%0.305CS..Hα-helixtrans-66.6-31.5179.8-72.4172.7000112.9K51 Y54 K55 I88 K89 H90K51-L92 WeakPolarHBondContact CE-O 3.43Å; K51-L92 HydrophobicContact CG-CD2 3.97Å; K51-L92 PolarHBondContact NZ-O 3.42Å; Y54-L92 HydrophobicContact CD1-CD2 3.9Å; K55-L92 HydrophobicContact CG-CD1 3.93Å; K55-L92 HydrophobicContact CG-CD2 3.75Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.28Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.45Å; K89-L92 PolarHBondContact O-N 3.39Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.14Å
93A96.4Very high94.6Very high74 Ų7455.7 Ų55.761%0.61230%0.3SS*.Hα-helixtrans-67-42.4175.100000111.1K89 H90 I91K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 2.85Å; H90-A93 WeakPolarHBondContact O-CB 3.3Å; H90-A93 PolarHBondContact O-N 2.86Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.85Å
94N94.8Very high94.3Very high55 Ų5559.7 Ų59.729%0.29431%0.309SS..THydrogen-bonded Turntrans-102.324.5-177.5-60.6-51000113.2H90 I91 K96 N97 Y98H90-N94 PolarHBondContact CE1-ND2 3.47Å; H90-N94 PolarHBondContact NE2-ND2 3.18Å; H90-N94 PolarHBondContact O-N 3.23Å; H90-N94 VanDerWaalsContact O-N 3.09Å; H90-N94 PolarHBondContact O-ND2 2.92Å; I91-N94 CarbonylContact O-C 3.35Å; I91-N94 PolarHBondContact O-N 2.9Å; N94-K96 PolarHBondContact O-N 2.98Å; N94-N97 WeakPolarHBondContact O-CB 3.38Å; N94-N97 PolarHBondContact O-N 3.05Å; N94-Y98 HydrophobicContact CB-CE2 3.82Å; N94-Y98 VanDerWaalsContact O-CD2 3.31Å; N94-Y98 WeakPolarHBondContact O-CD2 3.31Å
95F94.5Very high94.1Very high27 Ų2766.8 Ų66.812%0.11835%0.346CS..THydrogen-bonded Turntrans-52.4-33.6-168.2-176.3-93000114.5F49 K51 Y54 I91 N97 F100F49-F95 HydrophobicContact CB-CE2 4.38Å; F49-F95 HydrophobicContact CB-CZ 3.81Å; F49-F95 WeakPolarHBondContact O-CE1 3.5Å; F49-F95 VanDerWaalsContact O-CZ 3.28Å; F49-F95 WeakPolarHBondContact O-CZ 3.26Å; K51-F95 HydrophobicContact CB-CD1 4.28Å; K51-F95 HydrophobicContact CB-CE1 4.35Å; K51-F95 HydrophobicContact CB-CG 4.43Å; K51-F95 HydrophobicContact CG-CG 4.4Å; Y54-F95 HydrophobicContact CD1-CD2 4.3Å; Y54-F95 AromaticContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD2-CE2 4.39Å; Y54-F95 HydrophobicContact CG-CD2 4.47Å; Y54-F95 AromaticContact CG-CE2 3.71Å; Y54-F95 HydrophobicContact CG-CE2 3.71Å; I91-F95 WeakPolarHBondContact O-CA 3.35Å; I91-F95 PolarHBondContact O-N 3.23Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.81Å; F95-F100 AromaticContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CE1-CE2 4.26Å; F95-F100 HydrophobicContact CE1-CZ 4.33Å; F95-F100 AromaticContact CE2-CE1 3.97Å; F95-F100 HydrophobicContact CE2-CE1 3.97Å; F95-F100 AromaticContact CE2-CE2 3.92Å; F95-F100 HydrophobicContact CE2-CE2 3.92Å; F95-F100 AromaticContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CG-CZ 4.4Å; F95-F100 AromaticContact CZ-CE2 3.77Å; F95-F100 HydrophobicContact CZ-CE2 3.77Å; F95-F100 AromaticContact CZ-CZ 3.6Å; F95-F100 HydrophobicContact CZ-CZ 3.6Å
96K93.9Very high93.8Very high201 Ų20170 Ų7087%0.87436%0.356SS*.THydrogen-bonded Turntrans-74.7-17.1-178.4-65.4-174.1177.2-175.10114N94N94-K96 PolarHBondContact O-N 2.98Å
97N92.5Very high93.5Very high96 Ų9668 Ų6851%0.51335%0.349SS..THydrogen-bonded Turntrans-84.4-26.3-179-59.92.1000111.1N94 F95N94-N97 WeakPolarHBondContact O-CB 3.38Å; N94-N97 PolarHBondContact O-N 3.05Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.81Å
98Y94.7Very high92.9Very high11 Ų1169.5 Ų69.54%0.04337%0.365CS..  trans-82.7134.3-176.8-65.7-71.9000111.9H90 I91 N94 F100 L114 L115 D116 I127H90-Y98 PolarHBondContact CD2-OH 2.84Å; I91-Y98 HydrophobicContact CB-CE2 4.33Å; I91-Y98 HydrophobicContact CG1-CE2 4.32Å; I91-Y98 HydrophobicContact CG2-CD2 4.13Å; I91-Y98 HydrophobicContact CG2-CE2 4.28Å; N94-Y98 HydrophobicContact CB-CE2 3.82Å; N94-Y98 VanDerWaalsContact O-CD2 3.31Å; N94-Y98 WeakPolarHBondContact O-CD2 3.31Å; Y98-F100 WeakPolarHBondContact O-CE2 3.45Å; Y98-L114 HydrophobicContact CD1-CB 3.77Å; Y98-L114 HydrophobicContact CD1-CD2 4.17Å; Y98-L114 HydrophobicContact CD2-CD2 4.48Å; Y98-L114 HydrophobicContact CE1-CB 4.34Å; Y98-L114 HydrophobicContact CG-CB 4.35Å; Y98-L114 HydrophobicContact CG-CD2 3.94Å; Y98-L115 WeakPolarHBondContact CA-O 3.5Å; Y98-D116 HydrophobicContact CD1-CB 3.71Å; Y98-D116 HydrophobicContact CE1-CB 3.65Å; Y98-I127 HydrophobicContact CE1-CD1 3.71Å
99Q94.8Very high92.5Very high73 Ų7375 Ų7534%0.34139%0.394SS..EExtended strand (participates in β ladder)trans-94.5139.4160-63.7-177.8-72.200109E46 F101 L114 L115E46-Q99 PolarHBondContact OE1-NE2 3.36Å; Q99-F101 HydrophobicContact CB-CD2 4.43Å; Q99-F101 HydrophobicContact CB-CE2 3.71Å; Q99-L114 WeakPolarHBondContact O-CA 3.42Å; Q99-L115 HydrophobicContact CB-CB 4.21Å; Q99-L115 HydrophobicContact CB-CD2 4.48Å; Q99-L115 PolarHBondContact N-O 3Å; Q99-L115 PolarHBondContact O-N 3.39Å
100F95.2Very high92.2Very high10 Ų1068.7 Ų68.74%0.04437%0.373CS..EExtended strand (participates in β ladder)trans-105.4132.1-173.9-57.4-90000109.7E46 T47 F49 Y54 F95 Y98 V112 L114E46-F100 CarbonylContact C-O 3.51Å; E46-F100 WeakPolarHBondContact CA-O 3.36Å; T47-F100 HydrophobicContact CG2-CB 3.86Å; T47-F100 PolarHBondContact N-O 3.37Å; T47-F100 WeakPolarHBondContact O-CB 3.5Å; F49-F100 HydrophobicContact CD2-CB 3.97Å; F49-F100 AromaticContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD2 4.29Å; F49-F100 AromaticContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CE2-CB 4.28Å; F49-F100 HydrophobicContact CE2-CG 4.48Å; Y54-F100 HydrophobicContact CD2-CD1 4.09Å; Y54-F100 AromaticContact CD2-CE1 3.69Å; Y54-F100 HydrophobicContact CD2-CE1 3.69Å; Y54-F100 AromaticContact CE2-CD1 3.88Å; Y54-F100 HydrophobicContact CE2-CD1 3.88Å; Y54-F100 AromaticContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CG-CE1 4.31Å; F95-F100 AromaticContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CE1-CE2 4.26Å; F95-F100 HydrophobicContact CE1-CZ 4.33Å; F95-F100 AromaticContact CE2-CE1 3.97Å; F95-F100 HydrophobicContact CE2-CE1 3.97Å; F95-F100 AromaticContact CE2-CE2 3.92Å; F95-F100 HydrophobicContact CE2-CE2 3.92Å; F95-F100 AromaticContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CG-CZ 4.4Å; F95-F100 AromaticContact CZ-CE2 3.77Å; F95-F100 HydrophobicContact CZ-CE2 3.77Å; F95-F100 AromaticContact CZ-CZ 3.6Å; F95-F100 HydrophobicContact CZ-CZ 3.6Å; Y98-F100 WeakPolarHBondContact O-CE2 3.45Å; F100-V112 HydrophobicContact CB-CG1 3.79Å; F100-V112 HydrophobicContact CD1-CG1 3.74Å; F100-V112 HydrophobicContact CG-CG1 4.25Å; F100-L114 HydrophobicContact CD1-CD2 3.8Å; F100-L114 HydrophobicContact CE1-CD2 3.46Å; F100-L114 VanDerWaalsContact CE1-CD2 3.46Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å
101F95Very high92.1Very high12 Ų1265.9 Ų65.95%0.05336%0.36CS..EExtended strand (participates in β ladder)trans-128.2143.6-179.5-72.6-90.8000110.7V39 L44 Q45 E46 Q99 V112 A113 L115 M126V39-F101 HydrophobicContact CB-CE1 4.43Å; V39-F101 HydrophobicContact CG1-CD1 4.09Å; V39-F101 HydrophobicContact CG1-CE1 3.63Å; V39-F101 HydrophobicContact CG1-CZ 4.38Å; V39-F101 HydrophobicContact CG2-CD1 4.1Å; V39-F101 HydrophobicContact CG2-CE1 3.87Å; V39-F101 HydrophobicContact CG2-CE2 4.43Å; V39-F101 HydrophobicContact CG2-CG 4.49Å; V39-F101 HydrophobicContact CG2-CZ 4.06Å; L44-F101 HydrophobicContact CB-CB 4.18Å; L44-F101 HydrophobicContact CB-CD1 3.93Å; L44-F101 HydrophobicContact CB-CG 4.4Å; L44-F101 HydrophobicContact CD1-CB 4.44Å; Q45-F101 CarbonylContact O-C 3.59Å; Q45-F101 VanDerWaalsContact O-CA 3.31Å; Q45-F101 WeakPolarHBondContact O-CA 3.39Å; E46-F101 HydrophobicContact CB-CD1 4.1Å; E46-F101 HydrophobicContact CB-CE1 3.66Å; E46-F101 HydrophobicContact CB-CZ 4.11Å; E46-F101 HydrophobicContact CG-CE1 4.18Å; E46-F101 HydrophobicContact CG-CZ 4.13Å; Q99-F101 HydrophobicContact CB-CD2 4.43Å; Q99-F101 HydrophobicContact CB-CE2 3.71Å; F101-V112 CarbonylContact O-C 3.5Å; F101-V112 WeakPolarHBondContact O-CA 3.44Å; F101-A113 HydrophobicContact CB-CB 4.3Å; F101-A113 PolarHBondContact N-O 3.27Å; F101-A113 PolarHBondContact O-N 3.09Å; F101-L115 HydrophobicContact CD2-CB 3.95Å; F101-L115 HydrophobicContact CE2-CB 3.71Å; F101-L115 HydrophobicContact CE2-CD2 3.64Å; F101-L115 HydrophobicContact CE2-CG 4.33Å; F101-L115 HydrophobicContact CZ-CD2 4.12Å; F101-M126 HydrophobicContact CB-CE 3.93Å; F101-M126 HydrophobicContact CD2-CE 3.89Å; F101-M126 HydrophobicContact CG-CE 4.05Å
102V94.2Very high92.2Very high14 Ų1466.1 Ų66.19%0.08536%0.361CS..EExtended strand (participates in β ladder)trans-115.8160.6169.7-650000109.5L44 Q45 T47 M106 V112L44-V102 CarbonylContact C-O 2.85Å; L44-V102 WeakPolarHBondContact CA-O 3.39Å; Q45-V102 HydrophobicContact CB-CG2 3.93Å; Q45-V102 PolarHBondContact N-O 3.4Å; Q45-V102 PolarHBondContact O-N 3.15Å; T47-V102 HydrophobicContact CG2-CG1 3.97Å; V102-M106 HydrophobicContact CG2-CB 4.21Å; V102-M106 HydrophobicContact CG2-CG 4.13Å; V102-V112 HydrophobicContact CG1-CG2 3.92Å
103G90.9Very high92.2Very high36 Ų3665 Ų6537%0.37136%0.356SS..  trans-61.9165173.500000111.9N105 M106G103-N105 PolarHBondContact O-N 3.24Å; G103-N105 VanDerWaalsContact O-N 3.09Å; G103-M106 WeakPolarHBondContact O-CA 3.25Å; G103-M106 PolarHBondContact O-N 2.9Å
104E90.1Very high92.1Very high121 Ų12161.5 Ų61.557%0.56533%0.327SS*.THydrogen-bonded Turntrans-48.7-39.1-179.2-172.6-179.4177.400113.6H43 M106H43-E104 HydrophobicContact CB-CB 4.17Å; H43-E104 HydrophobicContact CB-CG 3.98Å; E104-M106 PolarHBondContact O-N 3.34Å; E104-M106 VanDerWaalsContact O-N 3.16Å
105N89.5Confident92.1Very high152 Ų15259 Ų5981%0.81331%0.314SS*.THydrogen-bonded Turntrans-72.9-2.4178.9-65.1-37.8000114.5G103 N107G103-N105 PolarHBondContact O-N 3.24Å; G103-N105 VanDerWaalsContact O-N 3.09Å; N105-N107 PolarHBondContact O-N 3.4Å
106M87.9Confident92.1Very high108 Ų10858.9 Ų58.953%0.53231%0.314SS..  trans4933179.5-57.2-176.577.100114.5Q45 V102 G103 E104 P108Q45-M106 HydrophobicContact CB-CE 4.38Å; Q45-M106 HydrophobicContact CB-CG 4.08Å; Q45-M106 HydrophobicContact CB-SD 4.45Å; Q45-M106 HydrophobicContact CG-CG 3.8Å; Q45-M106 HydrophobicContact CG-SD 4.25Å; V102-M106 HydrophobicContact CG2-CB 4.21Å; V102-M106 HydrophobicContact CG2-CG 4.13Å; G103-M106 WeakPolarHBondContact O-CA 3.25Å; G103-M106 PolarHBondContact O-N 2.9Å; E104-M106 PolarHBondContact O-N 3.34Å; E104-M106 VanDerWaalsContact O-N 3.16Å; M106-P108 VanDerWaalsContact O-CD 3.25Å; M106-P108 WeakPolarHBondContact O-CD 3.43Å; M106-P108 VanDerWaalsContact O-N 3.11Å
107N88.1Confident91.9Very high85 Ų8552.1 Ų52.146%0.45529%0.285SS..  trans-62.2114.5-178.4179.9-1.6000110.3N105 D109 G110N105-N107 PolarHBondContact O-N 3.4Å; N107-D109 PolarHBondContact O-N 2.81Å; N107-D109 PolarHBondContact OD1-N 3.16Å; N107-G110 PolarHBondContact O-N 2.99Å; N107-G110 PolarHBondContact OD1-N 2.91Å
108P82.3Confident91.8Very high98 Ų9855 Ų5564%0.63629%0.289SS*.THydrogen-bonded Turntrans-69-21.6-177.429.5-36.3000113.2Y57 M106 G110Y57-P108 WeakPolarHBondContact CE2-O 3.27Å; M106-P108 VanDerWaalsContact O-CD 3.25Å; M106-P108 WeakPolarHBondContact O-CD 3.43Å; M106-P108 VanDerWaalsContact O-N 3.11Å; P108-G110 VanDerWaalsContact C-N 3.34Å
109D86.3Confident91.6Very high131 Ų13164.7 Ų64.770%0.70133%0.334SS*.THydrogen-bonded Turntrans-88.8-8.5175.4-57.9-44.6000112.2N107N107-D109 PolarHBondContact O-N 2.81Å; N107-D109 PolarHBondContact OD1-N 3.16Å
110G89.3Confident91.4Very high20 Ų2065.3 Ų65.321%0.20634%0.34CS..SBendtrans-73.8178.4178.500000113.1Y57 N107 P108Y57-G110 WeakPolarHBondContact CE2-O 3.48Å; Y57-G110 PolarHBondContact OH-O 2.98Å; N107-G110 PolarHBondContact O-N 2.99Å; N107-G110 PolarHBondContact OD1-N 2.91Å; P108-G110 VanDerWaalsContact C-N 3.34Å
111M94.1Very high91Very high33 Ų3367.2 Ų67.216%0.16336%0.363CS..PPolyproline II helixtrans-74.3133.2175.6-169.7-172.1-54.700111Y57 Y61 F128 F129 G132 L133Y57-M111 WeakPolarHBondContact OH-CA 3.34Å; Y61-M111 HydrophobicContact CE2-CB 3.93Å; Y61-M111 HydrophobicContact CE2-CG 4.37Å; Y61-M111 WeakPolarHBondContact OH-CE 3.5Å; M111-F128 HydrophobicContact SD-CB 3.84Å; M111-F128 HydrophobicContact SD-CD1 3.82Å; M111-F128 HydrophobicContact SD-CG 4.33Å; M111-F129 HydrophobicContact CE-CB 4.07Å; M111-F129 WeakPolarHBondContact CE-O 3.43Å; M111-F129 HydrophobicContact SD-CB 4.29Å; M111-F129 PolarHBondContact SD-N 3.44Å; M111-G132 VanDerWaalsContact CE-C 3.47Å; M111-G132 WeakPolarHBondContact CE-O 3.38Å; M111-L133 HydrophobicContact CE-CD2 3.61Å; M111-L133 HydrophobicContact CE-CG 3.81Å; M111-L133 HydrophobicContact SD-CD2 4.26Å
112V95.7Very high90.6Very high5 Ų571.4 Ų71.43%0.0339%0.389CS..PPolyproline II helixtrans-89.8119.2165.7173.10000108.2F49 Y57 F100 F101 V102F49-V112 HydrophobicContact CE2-CG1 4.1Å; F49-V112 HydrophobicContact CE2-CG2 3.78Å; F49-V112 HydrophobicContact CZ-CG2 3.89Å; Y57-V112 HydrophobicContact CD1-CG2 4.26Å; Y57-V112 HydrophobicContact CE1-CB 3.76Å; Y57-V112 HydrophobicContact CE1-CG2 3.53Å; Y57-V112 HydrophobicContact CE2-CG2 3.92Å; Y57-V112 WeakPolarHBondContact OH-CG2 3.31Å; Y57-V112 PolarHBondContact OH-N 3.43Å; F100-V112 HydrophobicContact CB-CG1 3.79Å; F100-V112 HydrophobicContact CD1-CG1 3.74Å; F100-V112 HydrophobicContact CG-CG1 4.25Å; F101-V112 CarbonylContact O-C 3.5Å; F101-V112 WeakPolarHBondContact O-CA 3.44Å; V102-V112 HydrophobicContact CG1-CG2 3.92Å
113A95.1Very high90.4Very high4 Ų473.1 Ų73.13%0.03340%0.399CS..EExtended strand (participates in β ladder)trans-82.6139.3173.100000109.8F101 M126 F128F101-A113 HydrophobicContact CB-CB 4.3Å; F101-A113 PolarHBondContact N-O 3.27Å; F101-A113 PolarHBondContact O-N 3.09Å; A113-M126 HydrophobicContact CB-CE 3.52Å; A113-F128 HydrophobicContact CB-CD1 3.84Å; A113-F128 HydrophobicContact CB-CE1 3.27Å; A113-F128 HydrophobicContact CB-CZ 3.68Å
114L95.6Very high90.4Very high0 Ų073.1 Ų73.10%039%0.393CS..EExtended strand (participates in β ladder)trans-109.4120.8-178.6-56.4124.1000109.4I91 Y98 Q99 F100 M126 I127I91-L114 HydrophobicContact CD1-CD1 3.58Å; I91-L114 HydrophobicContact CD1-CD2 4.43Å; I91-L114 HydrophobicContact CG1-CD1 4.22Å; I91-L114 HydrophobicContact CG1-CD2 4.43Å; I91-L114 HydrophobicContact CG2-CD2 3.68Å; Y98-L114 HydrophobicContact CD1-CB 3.77Å; Y98-L114 HydrophobicContact CD1-CD2 4.17Å; Y98-L114 HydrophobicContact CD2-CD2 4.48Å; Y98-L114 HydrophobicContact CE1-CB 4.34Å; Y98-L114 HydrophobicContact CG-CB 4.35Å; Y98-L114 HydrophobicContact CG-CD2 3.94Å; Q99-L114 WeakPolarHBondContact O-CA 3.42Å; F100-L114 HydrophobicContact CD1-CD2 3.8Å; F100-L114 HydrophobicContact CE1-CD2 3.46Å; F100-L114 VanDerWaalsContact CE1-CD2 3.46Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; L114-M126 CarbonylContact O-C 3.5Å; L114-M126 VanDerWaalsContact O-CA 3.22Å; L114-M126 WeakPolarHBondContact O-CA 3.48Å; L114-I127 HydrophobicContact CB-CB 4.24Å; L114-I127 HydrophobicContact CD1-CB 4.18Å; L114-I127 HydrophobicContact CD1-CG2 4.41Å; L114-I127 PolarHBondContact N-O 3.2Å; L114-I127 PolarHBondContact O-N 3.21Å
115L94.8Very high90.5Very high2 Ų270.9 Ų70.91%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-95.7131.8172.2175.569.5000109.4V36 Y98 Q99 F101 P124 M126V36-L115 HydrophobicContact CG1-CD1 4.33Å; V36-L115 HydrophobicContact CG2-CD1 4.04Å; V36-L115 HydrophobicContact CG2-CD2 3.8Å; Y98-L115 WeakPolarHBondContact CA-O 3.5Å; Q99-L115 HydrophobicContact CB-CB 4.21Å; Q99-L115 HydrophobicContact CB-CD2 4.48Å; Q99-L115 PolarHBondContact N-O 3Å; Q99-L115 PolarHBondContact O-N 3.39Å; F101-L115 HydrophobicContact CD2-CB 3.95Å; F101-L115 HydrophobicContact CE2-CB 3.71Å; F101-L115 HydrophobicContact CE2-CD2 3.64Å; F101-L115 HydrophobicContact CE2-CG 4.33Å; F101-L115 HydrophobicContact CZ-CD2 4.12Å; L115-P124 HydrophobicContact CD1-CB 3.72Å; L115-M126 HydrophobicContact CB-CE 4.29Å; L115-M126 HydrophobicContact CB-CG 4.34Å; L115-M126 HydrophobicContact CD1-CG 3.86Å
116D93.4Very high90.7Very high25 Ų2565 Ų6513%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-143.1172.3169.3-174.425.3000109.1Y98 Y125Y98-D116 HydrophobicContact CD1-CB 3.71Å; Y98-D116 HydrophobicContact CE1-CB 3.65Å; D116-Y125 HydrophobicContact CB-CE1 3.78Å; D116-Y125 HydrophobicContact CB-CE2 4.39Å; D116-Y125 PolarHBondContact N-O 2.92Å; D116-Y125 VanDerWaalsContact N-O 3.07Å; D116-Y125 VanDerWaalsContact O-CD1 3.24Å; D116-Y125 WeakPolarHBondContact O-CD1 3.47Å; D116-Y125 PolarHBondContact O-N 2.92Å; D116-Y125 PolarHBondContact OD2-OH 3.17Å
117F90.8Very high90.9Very high59 Ų5961.2 Ų61.226%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-110.9143.7-180-65.7-93.6000110.1M1 T123 P124M1-F117 HydrophobicContact CE-CE1 4.39Å; M1-F117 HydrophobicContact CE-CZ 4.46Å; F117-T123 WeakPolarHBondContact CA-O 3.27Å; F117-P124 HydrophobicContact CD1-CB 4.31Å; F117-P124 HydrophobicContact CE1-CB 4.03Å
118R89.9Confident91.2Very high157 Ų15761.1 Ų61.159%0.59233%0.325SS*.  trans-63175.1174.6-64.7-170.3-179.8-179.70.2110.6D120 G121 T123 Y125R118-D120 PolarHBondContact O-N 3.41Å; R118-G121 WeakPolarHBondContact O-CA 3.48Å; R118-G121 PolarHBondContact O-N 3.25Å; R118-T123 HydrophobicContact CG-CG2 4.18Å; R118-T123 PolarHBondContact N-O 3.24Å; R118-Y125 HydrophobicContact CG-CD1 3.87Å; R118-Y125 HydrophobicContact CG-CE1 4.38Å
119E89.9Confident91.8Very high214 Ų21457.4 Ų57.4100%130%0.299SS*.THydrogen-bonded Turntrans-56-21.3178.2-62.9177.898.200113.6G121E119-G121 PolarHBondContact O-N 3.49Å
120D90.6Very high92.1Very high86 Ų8658.7 Ų58.746%0.4630%0.298SS..THydrogen-bonded Turntrans-72.3-10.5173.16515.8000114.1R118 V122 T123R118-D120 PolarHBondContact O-N 3.41Å; D120-V122 HydrophobicContact CB-CG2 4.01Å; D120-V122 PolarHBondContact O-N 3.42Å; D120-V122 VanDerWaalsContact O-N 3.16Å; D120-V122 PolarHBondContact OD1-N 3.06Å; D120-T123 WeakPolarHBondContact OD1-CB 3.43Å; D120-T123 PolarHBondContact OD1-N 2.89Å; D120-T123 VanDerWaalsContact OD2-CB 3.26Å; D120-T123 WeakPolarHBondContact OD2-CB 3.18Å; D120-T123 PolarHBondContact OD2-OG1 3.09Å
121G87.2Confident92.2Very high50 Ų5059.2 Ų59.252%0.51530%0.296SS..SBendtrans68.92.6-179.300000115R118 E119R118-G121 WeakPolarHBondContact O-CA 3.48Å; R118-G121 PolarHBondContact O-N 3.25Å; E119-G121 PolarHBondContact O-N 3.49Å
122V86.4Confident92Very high100 Ų10058.3 Ų58.361%0.60630%0.296SS*.SBendtrans-127-25.1-171.1-64.70000113.6D120 P124D120-V122 HydrophobicContact CB-CG2 4.01Å; D120-V122 PolarHBondContact O-N 3.42Å; D120-V122 VanDerWaalsContact O-N 3.16Å; D120-V122 PolarHBondContact OD1-N 3.06Å; V122-P124 WeakPolarHBondContact O-CD 3.28Å
123T90.1Very high91.8Very high50 Ų5062.4 Ų62.431%0.30732%0.317SS..  trans-88.8105.9-179.5-61.70000109.5F117 R118 D120F117-T123 WeakPolarHBondContact CA-O 3.27Å; R118-T123 HydrophobicContact CG-CG2 4.18Å; R118-T123 PolarHBondContact N-O 3.24Å; D120-T123 WeakPolarHBondContact OD1-CB 3.43Å; D120-T123 PolarHBondContact OD1-N 2.89Å; D120-T123 VanDerWaalsContact OD2-CB 3.26Å; D120-T123 WeakPolarHBondContact OD2-CB 3.18Å; D120-T123 PolarHBondContact OD2-OG1 3.09Å
124P91.6Very high91.5Very high36 Ų3669.4 Ų69.423%0.23435%0.349CS..EExtended strand (participates in β ladder)trans-71.2144.6177.430.1-35000110.7V36 L115 F117 V122V36-P124 HydrophobicContact CG1-CB 3.99Å; V36-P124 HydrophobicContact CG1-CG 3.99Å; V36-P124 HydrophobicContact CG2-CB 3.74Å; V36-P124 HydrophobicContact CG2-CG 4.03Å; L115-P124 HydrophobicContact CD1-CB 3.72Å; F117-P124 HydrophobicContact CD1-CB 4.31Å; F117-P124 HydrophobicContact CE1-CB 4.03Å; V122-P124 WeakPolarHBondContact O-CD 3.28Å
125Y91.7Very high91.2Very high73 Ų7376.6 Ų76.629%0.28639%0.386SS..EExtended strand (participates in β ladder)trans-139.9148.516870.9-83.2000110.1D116 R118 I127D116-Y125 HydrophobicContact CB-CE1 3.78Å; D116-Y125 HydrophobicContact CB-CE2 4.39Å; D116-Y125 PolarHBondContact N-O 2.92Å; D116-Y125 VanDerWaalsContact N-O 3.07Å; D116-Y125 VanDerWaalsContact O-CD1 3.24Å; D116-Y125 WeakPolarHBondContact O-CD1 3.47Å; D116-Y125 PolarHBondContact O-N 2.92Å; D116-Y125 PolarHBondContact OD2-OH 3.17Å; R118-Y125 HydrophobicContact CG-CD1 3.87Å; R118-Y125 HydrophobicContact CG-CE1 4.38Å; Y125-I127 HydrophobicContact CD2-CG1 4.12Å; Y125-I127 HydrophobicContact CE2-CD1 3.96Å; Y125-I127 HydrophobicContact CE2-CG1 3.78Å
126M93.1Very high90.8Very high29 Ų2984.5 Ų84.514%0.14342%0.423CS..EExtended strand (participates in β ladder)trans-113.4140.1177.8-64.9-165.585.500111.2I38 V39 L44 F101 A113 L114 L115 F128I38-M126 HydrophobicContact CB-SD 4.33Å; I38-M126 HydrophobicContact CG2-SD 3.53Å; I38-M126 VanDerWaalsContact CG2-SD 3.53Å; V39-M126 HydrophobicContact CG2-CE 4.47Å; V39-M126 HydrophobicContact CG2-SD 4.17Å; L44-M126 HydrophobicContact CD1-CE 3.72Å; L44-M126 HydrophobicContact CD1-SD 3.76Å; F101-M126 HydrophobicContact CB-CE 3.93Å; F101-M126 HydrophobicContact CD2-CE 3.89Å; F101-M126 HydrophobicContact CG-CE 4.05Å; A113-M126 HydrophobicContact CB-CE 3.52Å; L114-M126 CarbonylContact O-C 3.5Å; L114-M126 VanDerWaalsContact O-CA 3.22Å; L114-M126 WeakPolarHBondContact O-CA 3.48Å; L115-M126 HydrophobicContact CB-CE 4.29Å; L115-M126 HydrophobicContact CB-CG 4.34Å; L115-M126 HydrophobicContact CD1-CG 3.86Å; M126-F128 HydrophobicContact CB-CD2 4.22Å; M126-F128 HydrophobicContact CB-CE2 3.49Å; M126-F128 VanDerWaalsContact CB-CE2 3.49Å; M126-F128 HydrophobicContact CB-CZ 4.12Å; M126-F128 HydrophobicContact CE-CZ 4.38Å; M126-F128 HydrophobicContact SD-CE2 4.42Å; M126-F128 HydrophobicContact SD-CZ 4.18Å
127I93.9Very high90.3Very high28 Ų2892.7 Ų92.714%0.14446%0.457CS..EExtended strand (participates in β ladder)trans-103.3128.1176.6-50.9175.9000108.6Y98 L114 Y125Y98-I127 HydrophobicContact CE1-CD1 3.71Å; L114-I127 HydrophobicContact CB-CB 4.24Å; L114-I127 HydrophobicContact CD1-CB 4.18Å; L114-I127 HydrophobicContact CD1-CG2 4.41Å; L114-I127 PolarHBondContact N-O 3.2Å; L114-I127 PolarHBondContact O-N 3.21Å; Y125-I127 HydrophobicContact CD2-CG1 4.12Å; Y125-I127 HydrophobicContact CE2-CD1 3.96Å; Y125-I127 HydrophobicContact CE2-CG1 3.78Å
128F94.2Very high89Confident83 Ų8398.6 Ų98.636%0.36450%0.504SS..  trans-128.1146.1173.3-61.9-92.3000110.2M111 A113 M126 K130 L133M111-F128 HydrophobicContact SD-CB 3.84Å; M111-F128 HydrophobicContact SD-CD1 3.82Å; M111-F128 HydrophobicContact SD-CG 4.33Å; A113-F128 HydrophobicContact CB-CD1 3.84Å; A113-F128 HydrophobicContact CB-CE1 3.27Å; A113-F128 HydrophobicContact CB-CZ 3.68Å; M126-F128 HydrophobicContact CB-CD2 4.22Å; M126-F128 HydrophobicContact CB-CE2 3.49Å; M126-F128 VanDerWaalsContact CB-CE2 3.49Å; M126-F128 HydrophobicContact CB-CZ 4.12Å; M126-F128 HydrophobicContact CE-CZ 4.38Å; M126-F128 HydrophobicContact SD-CE2 4.42Å; M126-F128 HydrophobicContact SD-CZ 4.18Å; F128-K130 PolarHBondContact O-N 2.98Å; F128-L133 HydrophobicContact CB-CD1 3.85Å; F128-L133 HydrophobicContact CG-CD1 4.42Å
129F93.4Very high89Confident20 Ų2095.7 Ų95.79%0.08850%0.499CS..  trans-81.3108.5173.3-70.1-75.2000110.1I58 Y61 F80 A84 Q87 I88 I91 M111 D131 G132 L133I58-F129 HydrophobicContact CD1-CE2 3.84Å; I58-F129 HydrophobicContact CD1-CZ 4.22Å; Y61-F129 HydrophobicContact CE1-CB 4.39Å; Y61-F129 AromaticContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CG 4.31Å; F80-F129 HydrophobicContact CE2-CB 4.37Å; F80-F129 HydrophobicContact CE2-CD1 4.23Å; A84-F129 HydrophobicContact CB-CE1 4.2Å; Q87-F129 HydrophobicContact CB-CE1 4.48Å; Q87-F129 HydrophobicContact CG-CE1 4.43Å; I88-F129 HydrophobicContact CG1-CZ 4.3Å; I91-F129 HydrophobicContact CD1-CZ 4.31Å; M111-F129 HydrophobicContact CE-CB 4.07Å; M111-F129 WeakPolarHBondContact CE-O 3.43Å; M111-F129 HydrophobicContact SD-CB 4.29Å; M111-F129 PolarHBondContact SD-N 3.44Å; F129-D131 VanDerWaalsContact C-N 3.31Å; F129-D131 PolarHBondContact O-N 3.12Å; F129-G132 WeakPolarHBondContact O-CA 3.11Å; F129-G132 PolarHBondContact O-N 2.8Å; F129-L133 PolarHBondContact O-N 2.88Å
130K92.6Very high89Confident158 Ų15889.4 Ų89.469%0.68747%0.473SS*.G310 helixtrans-51.3-45.6-177.5180178.2178177.40113.9F128 G132 L133F128-K130 PolarHBondContact O-N 2.98Å; K130-G132 PolarHBondContact O-N 3.22Å; K130-L133 PolarHBondContact O-N 3.07Å
131D93.1Very high88.9Confident31 Ų3189.6 Ų89.617%0.16647%0.474CS..G310 helixtrans-71.9-6.1-178.3-64.6-73.3000113I65 L69 R76 F80 F129I65-D131 HydrophobicContact CG2-CB 4.38Å; L69-D131 HydrophobicContact CD1-CB 4.07Å; L69-D131 HydrophobicContact CD2-CB 4.27Å; R76-D131 IonicContact CZ-OD1 3.66Å; R76-D131 IonicContact CZ-OD2 2.68Å; R76-D131 IonicContact NE-OD1 2.94Å; R76-D131 PolarHBondContact NE-OD1 3.39Å; R76-D131 IonicContact NH2-OD1 3.98Å; R76-D131 PolarHBondContact NH2-OD1 2.87Å; R76-D131 VanDerWaalsContact NH2-OD1 3.1Å; R76-D131 IonicContact NH2-OD2 2.8Å; R76-D131 PolarHBondContact NH2-OD2 2.82Å; F80-D131 HydrophobicContact CB-CB 4.38Å; F80-D131 HydrophobicContact CD2-CB 3.63Å; F80-D131 HydrophobicContact CE2-CB 4.13Å; F80-D131 HydrophobicContact CG-CB 4.04Å; F129-D131 VanDerWaalsContact C-N 3.31Å; F129-D131 PolarHBondContact O-N 3.12Å
132G89.8Confident89Confident15 Ų1591.9 Ų91.916%0.15547%0.471CS..G310 helixtrans-100.84168.600000114.7M111 F129 K130M111-G132 VanDerWaalsContact CE-C 3.47Å; M111-G132 WeakPolarHBondContact CE-O 3.38Å; F129-G132 WeakPolarHBondContact O-CA 3.11Å; F129-G132 PolarHBondContact O-N 2.8Å; K130-G132 PolarHBondContact O-N 3.22Å
133L91.6Very high89.1Confident90 Ų9091.4 Ų91.447%0.47146%0.463SS..  trans-109151174-62.6179.3000111M111 F128 F129 K130M111-L133 HydrophobicContact CE-CD2 3.61Å; M111-L133 HydrophobicContact CE-CG 3.81Å; M111-L133 HydrophobicContact SD-CD2 4.26Å; F128-L133 HydrophobicContact CB-CD1 3.85Å; F128-L133 HydrophobicContact CG-CD1 4.42Å; F129-L133 PolarHBondContact O-N 2.88Å; K130-L133 PolarHBondContact O-N 3.07Å
134E88.5Confident89.1Confident151 Ų15194.2 Ų94.271%0.70647%0.473SS*.  trans-111.6138.7166.5-70.6-176.813100109.7R68R68-E134 IonicContact CZ-OE1 3.86Å; R68-E134 IonicContact CZ-OE2 3.1Å; R68-E134 IonicContact NH1-OE2 2.87Å; R68-E134 IonicContact NH2-OE1 3.81Å; R68-E134 PolarHBondContact NH2-OE1 3.47Å; R68-E134 IonicContact NH2-OE2 3.47Å; R68-E134 PolarHBondContact NH2-OE2 2.72Å
135I88.3Confident88.9Confident152 Ų15298.4 Ų98.478%0.77949%0.49SS*.  trans-96.1114.7178.5-59.3173.3000106.9
136E86Confident88.7Confident167 Ų167100.3 Ų100.378%0.7851%0.506SS*.  trans-95.8133.3169.1-167.9166.188.900109.1
137K84.8Confident88.3Confident197 Ų197106.3 Ų106.386%0.85754%0.536SS*.  trans-104.1117.4170.7-68.7-174.9-178.8-178.40107.3
138C63.5Low87.8Confident183 Ų183113.4 Ų113.4100%1.23657%0.572SS**  trans-910172.1-55.80000110.8

Retrieved 138 of 138 residues in 36.7 ms (Link to these results)