A0A096MWF0_PAPAN Loading...

Interleukin-17C

AlphaFold DB , UniProt , Accession A0A096MWF0, Species PAPAN (Papio anubis, Olive baboon), Gene IL17C, Length 197 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
1M46.2Very low47.8Very low229 Ų229140 Ų140100%1.12877%0.767SS**  0137.40-77.6157.361.700107.3
2T43.9Very low47.4Very low133 Ų133146.4 Ų146.482%0.81677%0.771SS**  trans61152.8-178.974.60000114.7
3L40.7Very low47.1Very low148 Ų148144.5 Ų144.578%0.77576%0.761SS**  cis-125.6-170-16.6-57.578.1000107.3
4L43.3Very low46.8Very low131 Ų131146.3 Ų146.369%0.68676%0.763SS**  cis-138.8140-5.2-62.880.6000109.2G6L4-G6 PolarHBondContact O-N 3.43Å
5P48.6Very low46.8Very low144 Ų144141.3 Ų141.394%0.93575%0.751SS**  trans-87.660.9156.135.6-31000109.9
6G53.1Low46.5Very low37 Ų37138.8 Ų138.838%0.38175%0.747SS.*  trans-109.91.8-161.200000117.5L4L4-G6 PolarHBondContact O-N 3.43Å
7L52Low46.6Very low149 Ų149139.9 Ų139.978%0.7875%0.751SS**SBendtrans-119.31.3-169.8-102.385.7000116.6
8L49.6Very low46.6Very low162 Ų162136.8 Ų136.885%0.84875%0.748SS**SBendtrans-93.5-1.3178.1-75.6169.9000114.7
9F50.2Low46.5Very low173 Ų173138 Ų13876%0.75975%0.748SS**SBendtrans-101.4-6.6179.5-96.4-79.5000115.2
10L49.3Very low46.3Very low121 Ų121140.3 Ų140.363%0.63475%0.753SS**SBendtrans-96.3-12.2-173.3-81.4162.8000115.2
11T48.4Very low46Very low113 Ų113140.6 Ų140.669%0.69375%0.754SS**SBendtrans-84.8-11.8172.448.80000113.5
12W43Very low45.9Very low217 Ų217136 Ų13682%0.82274%0.74SS**SBendtrans-91.1-0.5179.1-125.341000114.6
13L44.3Very low45.7Very low122 Ų122139.2 Ų139.264%0.63974%0.743SS**SBendtrans-96.8-14177.7-91.8149.1000114.5
14H42Very low46Very low169 Ų169140.3 Ų140.378%0.78275%0.748SS**SBendtrans-91.9-7.6178.7-95.9-70.5000115.2
15A46.8Very low45.7Very low71 Ų71144.9 Ų144.959%0.58776%0.756SS**SBendtrans-87.6-2.217900000114.5
16C42.6Very low45.1Very low101 Ų101141.5 Ų141.568%0.68275%0.748SS**SBendtrans-103.6-0.6-172.1-68.30000115.5
17L48.3Very low44.3Very low158 Ų158147.3 Ų147.383%0.82777%0.765SS**SBendtrans-112.811.2-174.7-76168.7000114.9
18A46.5Very low43.7Very low84 Ų84145.6 Ų145.669%0.69476%0.763SS**SBendtrans-121.113.1-178.700000114.7
19H44Very low43.4Very low160 Ų160145.9 Ų145.974%0.74176%0.759SS**SBendtrans-129.929-179.5-80.4-45.5000114.1
20H42.6Very low42.8Very low184 Ų184144 Ų14485%0.85276%0.762SS**SBendtrans-13045.6174.1-91.738.6000112.1
21D40.5Very low42.9Very low146 Ų146147 Ų14778%0.78177%0.772SS**  trans-150.956163.4-132.8-24.9000115.1
22T43.1Very low43.4Very low133 Ų133144.4 Ų144.482%0.81677%0.769SS**  trans-129.542.2164.126.30000111.6
23F40.8Very low44.4Very low201 Ų201140.4 Ų140.488%0.88277%0.769SS**  trans-9921.8172.5-129.5-84.1000114.1
24L47.4Very low46Very low170 Ų170137.8 Ų137.889%0.8976%0.759SS**  trans-124.751170.1-76.3174.8000112.5
25R36.6Very low48.2Very low227 Ų227137 Ų13786%0.85775%0.749SS**  trans-126.771.6152.8-155174.7-154.8174.77.8109.8H27R25-H27 PolarHBondContact O-N 3.46Å
26G36.3Very low50.3Low74 Ų74134.6 Ų134.676%0.76373%0.727SS**  trans-52.111317000000109.1
27H35.8Very low52.7Low159 Ų159130.5 Ų130.574%0.73670%0.698SS**  trans-56.4141.1161.5-89.96.2000107.6R25 H29R25-H27 PolarHBondContact O-N 3.46Å; H27-H29 PolarHBondContact O-N 3.26Å
28P38.6Very low54.7Low113 Ų113123.6 Ų123.673%0.73466%0.663SS**  trans-57.5113.1168.9-13.426.3000106.3T30P28-T30 PolarHBondContact O-N 3.29Å
29H43.6Very low56.5Low168 Ų168122.5 Ų122.578%0.77865%0.653SS**  trans-62100161.9-74.1-63.2000105.2H27 H31H27-H29 PolarHBondContact O-N 3.26Å; H29-H31 PolarHBondContact O-N 3.46Å
30T39.3Very low58.6Low134 Ų134122.2 Ų122.282%0.82265%0.653SS**  trans-57.797.4161.531.90000105.6P28 G32P28-T30 PolarHBondContact O-N 3.29Å; T30-G32 PolarHBondContact O-N 3.3Å
31H50.6Low60.9Low182 Ų182117.7 Ų117.784%0.84363%0.632SS**  trans-67.367.4167.2-95.2-88.9000107.5H29 T33H29-H31 PolarHBondContact O-N 3.46Å; H31-T33 PolarHBondContact O-N 2.89Å
32G58Low63.2Low60 Ų60111.5 Ų111.562%0.61960%0.599SS**PPolyproline II helixtrans-54.9128.6165.200000107T30T30-G32 PolarHBondContact O-N 3.3Å
33T65.4Low65.3Low133 Ų133108.2 Ų108.282%0.81658%0.579SS**PPolyproline II helixtrans-52.1127.8178.142.30000108.7H31 R35H31-T33 PolarHBondContact O-N 2.89Å; T33-R35 PolarHBondContact O-N 2.97Å
34P77.6Confident67.5Low67 Ų67103.2 Ų103.244%0.43556%0.561SS.*PPolyproline II helixtrans-62.3130-175.425.4-33.6000108.9C36 A177P34-C36 PolarHBondContact O-N 3.35Å; P34-A177 HydrophobicContact CB-CB 4.18Å; P34-A177 HydrophobicContact CG-CB 4.25Å
35R87.9Confident69.3Low152 Ų15296.5 Ų96.557%0.57453%0.533SS*.PPolyproline II helixtrans-55.9128.5-175.7174.6173.1174162.7-0.4110.5T33 Y37 E41T33-R35 PolarHBondContact O-N 2.97Å; R35-Y37 HydrophobicContact CB-CE2 4.35Å; R35-Y37 HydrophobicContact CG-CE1 4.01Å; R35-Y37 HydrophobicContact CG-CE2 4.28Å; R35-Y37 WeakPolarHBondContact O-CD2 3.17Å; R35-Y37 WeakPolarHBondContact O-CE2 3.36Å; R35-E41 IonicContact NH2-OE1 3.22Å; R35-E41 PolarHBondContact NH2-OE1 2.61Å
36C91.3Very high71.8Confident20 Ų2090.7 Ų90.714%0.13552%0.516CS..PPolyproline II helixtrans-77.5141.5167.4-74.20000111.5P34 C163 S164 R165 F176P34-C36 PolarHBondContact O-N 3.35Å; C36-C163 WeakPolarHBondContact CA-SG 3.02Å; C36-C163 HydrophobicContact CB-CB 4.49Å; C36-C163 WeakPolarHBondContact CB-SG 3.18Å; C36-C163 WeakPolarHBondContact SG-CB 3.46Å; C36-C163 CovalentContact SG-SG 2.03Å; C36-C163 PolarHBondContact SG-SG 2.88Å; C36-S164 PolarHBondContact SG-O 3.41Å; C36-S164 VanDerWaalsContact SG-O 3.32Å; C36-R165 HydrophobicContact CB-CG 3.62Å; C36-F176 CarbonylContact C-O 3.57Å; C36-F176 WeakPolarHBondContact CA-O 3.07Å
37Y91.8Very high74.3Confident16 Ų1687.6 Ų87.66%0.06348%0.483CS..BIsolated β-bridgetrans-121.1157.3171.7-52.6-84.9000109.2R35 E41 P48 H50 A175 F176 F178R35-Y37 HydrophobicContact CB-CE2 4.35Å; R35-Y37 HydrophobicContact CG-CE1 4.01Å; R35-Y37 HydrophobicContact CG-CE2 4.28Å; R35-Y37 WeakPolarHBondContact O-CD2 3.17Å; R35-Y37 WeakPolarHBondContact O-CE2 3.36Å; Y37-E41 VanDerWaalsContact CA-OE2 3.26Å; Y37-E41 WeakPolarHBondContact CA-OE2 3.5Å; Y37-P48 HydrophobicContact CD2-CG 4.45Å; Y37-P48 HydrophobicContact CE1-CB 4.37Å; Y37-P48 HydrophobicContact CE1-CG 3.92Å; Y37-P48 HydrophobicContact CE2-CG 3.75Å; Y37-P48 VanDerWaalsContact CZ-CG 3.46Å; Y37-H50 PolarHBondContact OH-CE1 3.19Å; Y37-H50 PolarHBondContact OH-NE2 3.16Å; Y37-A175 CarbonylContact O-C 3.57Å; Y37-A175 VanDerWaalsContact O-CA 3.26Å; Y37-A175 WeakPolarHBondContact O-CA 3.28Å; Y37-F176 HydrophobicContact CD2-CD2 4.42Å; Y37-F176 HydrophobicContact CD2-CE2 4.34Å; Y37-F176 HydrophobicContact CG-CE2 4.35Å; Y37-F176 PolarHBondContact N-O 2.67Å; Y37-F176 PolarHBondContact O-N 3.07Å; Y37-F178 HydrophobicContact CD2-CD2 4.12Å; Y37-F178 HydrophobicContact CD2-CE2 4.27Å; Y37-F178 HydrophobicContact CE2-CD2 4.04Å
38S90.6Very high76.8Confident13 Ų1380.2 Ų80.29%0.09145%0.449CS..  trans-110.7170.3161.761.70000111.9E40 E41 L42 R165S38-E40 WeakPolarHBondContact CB-OE2 3.39Å; S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-OE2 2.76Å; S38-E41 PolarHBondContact N-OE2 3.32Å; S38-E41 PolarHBondContact O-N 2.89Å; S38-E41 VanDerWaalsContact O-N 3.11Å; S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.1Å; S38-R165 VanDerWaalsContact CB-NH2 3.26Å; S38-R165 PolarHBondContact OG-NH2 3.28Å
39A85.8Confident79Confident60 Ų6079.6 Ų79.650%0.49645%0.445SS..THydrogen-bonded Turntrans-62.2-25.9-175.800000113.5L42A39-L42 CarbonylContact O-C 3.54Å
40E87.6Confident80.9Confident155 Ų15576 Ų7672%0.72443%0.429SS*.THydrogen-bonded Turntrans-77.7-33.3176.6-46.872.2-154.800111.8S38S38-E40 WeakPolarHBondContact CB-OE2 3.39Å; S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-OE2 2.76Å
41E89.7Confident83Confident89 Ų8971.6 Ų71.642%0.41640%0.4SS..THydrogen-bonded Turntrans-75.1-35.1176.4-71.1-176.9111.200112.2R35 Y37 S38 R165R35-E41 IonicContact NH2-OE1 3.22Å; R35-E41 PolarHBondContact NH2-OE1 2.61Å; Y37-E41 VanDerWaalsContact CA-OE2 3.26Å; Y37-E41 WeakPolarHBondContact CA-OE2 3.5Å; S38-E41 PolarHBondContact N-OE2 3.32Å; S38-E41 PolarHBondContact O-N 2.89Å; S38-E41 VanDerWaalsContact O-N 3.11Å; E41-R165 IonicContact OE2-CZ 3.74Å; E41-R165 IonicContact OE2-NH2 2.73Å; E41-R165 PolarHBondContact OE2-NH2 3.28Å
42L89.9Confident84.5Confident16 Ų1665.7 Ų65.78%0.08437%0.374CS..SBendtrans-145.1105.9-178.6-168.178000111.4S38 A39 Q46 P48 F176 F178S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.1Å; A39-L42 CarbonylContact O-C 3.54Å; L42-Q46 HydrophobicContact CD1-CB 3.81Å; L42-Q46 HydrophobicContact CG-CB 4.09Å; L42-P48 HydrophobicContact CD2-CG 4.04Å; L42-F176 HydrophobicContact CB-CZ 4.26Å; L42-F176 HydrophobicContact CD2-CE2 4.22Å; L42-F178 HydrophobicContact CD2-CE2 3.43Å; L42-F178 VanDerWaalsContact CD2-CE2 3.43Å; L42-F178 HydrophobicContact CD2-CZ 3.76Å
43P87.8Confident85.1Confident63 Ų6367 Ų6741%0.40938%0.379SS..  trans-60.8160.1176.8-2635.5000114.2Q46P43-Q46 HydrophobicContact CB-CG 4.48Å; P43-Q46 WeakPolarHBondContact O-CB 3.5Å; P43-Q46 PolarHBondContact O-N 2.03Å
44L86.6Confident85Confident96 Ų9671 Ų7150%0.50338%0.379SS..THydrogen-bonded Turntrans-53.2141.3173.5-169.762.7000111.4Q46 E117 R160L44-Q46 PolarHBondContact O-N 2.89Å; L44-E117 HydrophobicContact CD1-CB 4.32Å; L44-E117 WeakPolarHBondContact CD2-OE2 3.31Å; L44-E117 WeakPolarHBondContact CG-OE2 3.32Å; L44-R160 VanDerWaalsContact CD1-NH1 3.28Å; L44-R160 VanDerWaalsContact CD1-NH2 3.31Å
45G84.7Confident84.1Confident29 Ų2970.9 Ų70.930%0.29939%0.39SS..THydrogen-bonded Turntrans76.3-3.9-177.800000116.5Y120 Q122G45-Y120 WeakPolarHBondContact O-CD2 3.48Å; G45-Y120 WeakPolarHBondContact O-CE2 3.39Å; G45-Q122 VanDerWaalsContact CA-OE1 3.27Å
46Q88.6Confident82.9Confident105 Ų10564.8 Ų64.849%0.49137%0.372SS..  trans-98.5161.3175.4-55-170.418.200112L42 P43 L44L42-Q46 HydrophobicContact CD1-CB 3.81Å; L42-Q46 HydrophobicContact CG-CB 4.09Å; P43-Q46 HydrophobicContact CB-CG 4.48Å; P43-Q46 WeakPolarHBondContact O-CB 3.5Å; P43-Q46 PolarHBondContact O-N 2.03Å; L44-Q46 PolarHBondContact O-N 2.89Å
47A88.4Confident82Confident9 Ų971.4 Ų71.47%0.07440%0.399CS..  trans-135.5146.6175.100000110.8L52 Y120 L158A47-L52 HydrophobicContact CB-CD2 3.92Å; A47-L52 HydrophobicContact CB-CG 4.39Å; A47-Y120 HydrophobicContact CB-CD1 3.72Å; A47-Y120 HydrophobicContact CB-CD2 3.62Å; A47-Y120 HydrophobicContact CB-CE1 3.96Å; A47-Y120 HydrophobicContact CB-CE2 3.85Å; A47-Y120 HydrophobicContact CB-CG 3.55Å; A47-L158 HydrophobicContact CB-CD1 3.86Å
48P88.4Confident81.3Confident4 Ų471.6 Ų71.63%0.02640%0.399CS..  trans-60.1132.7-179.3-22.532000112.6Y37 L42 H50 L51 L52 F178Y37-P48 HydrophobicContact CD2-CG 4.45Å; Y37-P48 HydrophobicContact CE1-CB 4.37Å; Y37-P48 HydrophobicContact CE1-CG 3.92Å; Y37-P48 HydrophobicContact CE2-CG 3.75Å; Y37-P48 VanDerWaalsContact CZ-CG 3.46Å; L42-P48 HydrophobicContact CD2-CG 4.04Å; P48-H50 WeakPolarHBondContact CB-CE1 3.39Å; P48-H50 PolarHBondContact O-N 2.87Å; P48-H50 VanDerWaalsContact O-N 3.07Å; P48-L51 HydrophobicContact CB-CD1 4.48Å; P48-L51 HydrophobicContact CB-CG 4.35Å; P48-L51 HydrophobicContact CG-CD1 4.12Å; P48-L51 WeakPolarHBondContact O-CB 3.16Å; P48-L51 PolarHBondContact O-N 2.79Å; P48-L52 PolarHBondContact O-N 2.77Å; P48-F178 HydrophobicContact CG-CD2 3.93Å; P48-F178 HydrophobicContact CG-CE2 4.01Å
49P85.1Confident80.2Confident101 Ų10173.9 Ų73.966%0.65643%0.425SS*.Hα-helixtrans-55.7-31.7-175.1-30.135.8000115.6L51 L52 A53P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 3.12Å; P49-L52 WeakPolarHBondContact O-CB 3.19Å; P49-L52 PolarHBondContact O-N 3.15Å; P49-L52 VanDerWaalsContact O-N 3.13Å; P49-A53 PolarHBondContact O-N 3.45Å
50H84.3Confident79.8Confident93 Ų9378.1 Ų78.143%0.43143%0.434SS..Hα-helixtrans-72.3-22.4177.961.6-95.3000113.7Y37 P48 R54Y37-H50 PolarHBondContact OH-CE1 3.19Å; Y37-H50 PolarHBondContact OH-NE2 3.16Å; P48-H50 WeakPolarHBondContact CB-CE1 3.39Å; P48-H50 PolarHBondContact O-N 2.87Å; P48-H50 VanDerWaalsContact O-N 3.07Å; H50-R54 WeakPolarHBondContact O-CG 3.43Å
51L83.6Confident79.8Confident40 Ų4071.4 Ų71.421%0.20941%0.406CS..Hα-helixtrans-79-30.3168.7-60.2-175.5000110.6P48 P49 L158 F178P48-L51 HydrophobicContact CB-CD1 4.48Å; P48-L51 HydrophobicContact CB-CG 4.35Å; P48-L51 HydrophobicContact CG-CD1 4.12Å; P48-L51 WeakPolarHBondContact O-CB 3.16Å; P48-L51 PolarHBondContact O-N 2.79Å; P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 3.12Å; L51-L158 HydrophobicContact CB-CD1 3.83Å; L51-L158 HydrophobicContact CD1-CD1 4.02Å; L51-L158 HydrophobicContact CD1-CD2 4.45Å; L51-F178 HydrophobicContact CD1-CB 3.57Å; L51-F178 HydrophobicContact CD1-CD2 4.35Å; L51-F178 HydrophobicContact CD1-CG 4.14Å
52L81.4Confident79.7Confident59 Ų5970.8 Ų70.831%0.30941%0.405SS..Hα-helixtrans-70.4-41.7175.9-57.6179.9000112.8A47 P48 P49 R54 W58 Y120A47-L52 HydrophobicContact CB-CD2 3.92Å; A47-L52 HydrophobicContact CB-CG 4.39Å; P48-L52 PolarHBondContact O-N 2.77Å; P49-L52 WeakPolarHBondContact O-CB 3.19Å; P49-L52 PolarHBondContact O-N 3.15Å; P49-L52 VanDerWaalsContact O-N 3.13Å; L52-R54 PolarHBondContact O-N 2.9Å; L52-W58 HydrophobicContact CB-CZ3 4.36Å; L52-W58 HydrophobicContact CD2-CE3 4.1Å; L52-W58 HydrophobicContact CD2-CH2 3.91Å; L52-W58 HydrophobicContact CD2-CZ3 3.36Å; L52-W58 HydrophobicContact CG-CZ3 4.46Å; L52-Y120 HydrophobicContact CD2-CD1 4.19Å; L52-Y120 HydrophobicContact CD2-CE1 3.43Å; L52-Y120 VanDerWaalsContact CD2-CE1 3.43Å
53A70.8Confident79.9Confident86 Ų8670.2 Ų70.271%0.71140%0.402SS*.THydrogen-bonded Turntrans-66.1-19.8179.400000114P49 G55P49-A53 PolarHBondContact O-N 3.45Å; A53-G55 PolarHBondContact O-N 2.99Å
54R64.1Low80.2Confident217 Ų21768.5 Ų68.582%0.81939%0.39SS*.THydrogen-bonded Turntrans-80.427.4-174.9-81.6-177.1172.3-161-0.8115.3H50 L52H50-R54 WeakPolarHBondContact O-CG 3.43Å; L52-R54 PolarHBondContact O-N 2.9Å
55G56.8Low80.4Confident65 Ų6566.5 Ų66.567%0.6739%0.388SS*.SBendtrans101.29.4155.400000117.7A53A53-G55 PolarHBondContact O-N 2.99Å
56A64Low80.9Confident24 Ų2467.1 Ų67.120%0.19838%0.384CS..  trans-93108.8174.800000111.2W58 L156A56-W58 HydrophobicContact CB-CD2 3.55Å; A56-W58 HydrophobicContact CB-CE3 3.75Å; A56-W58 HydrophobicContact CB-CG 4.29Å; A56-W58 HydrophobicContact CB-CH2 3.57Å; A56-W58 HydrophobicContact CB-CZ2 3.36Å; A56-W58 HydrophobicContact CB-CZ3 3.72Å; A56-W58 PolarHBondContact O-N 2.75Å; A56-L156 HydrophobicContact CB-CD2 4.17Å
57K72.8Confident81.2Confident159 Ų15962.6 Ų62.669%0.69136%0.363SS*.  trans-79.152.6176.2-59.2-170.7-175.3178.20111.9G59 Q60K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.03Å; K57-Q60 HydrophobicContact CB-CB 4.39Å; K57-Q60 HydrophobicContact CB-CG 4.5Å; K57-Q60 VanDerWaalsContact CD-OE1 3.23Å; K57-Q60 PolarHBondContact O-N 3.35Å
58W77.3Confident81.3Confident21 Ų2166.4 Ų66.48%0.0839%0.389CS..G310 helixtrans-53-41.6-174.8-62.9-78.3000113.2L52 A56 Q60 A61 V64 Y120 P121 L156 L158L52-W58 HydrophobicContact CB-CZ3 4.36Å; L52-W58 HydrophobicContact CD2-CE3 4.1Å; L52-W58 HydrophobicContact CD2-CH2 3.91Å; L52-W58 HydrophobicContact CD2-CZ3 3.36Å; L52-W58 HydrophobicContact CG-CZ3 4.46Å; A56-W58 HydrophobicContact CB-CD2 3.55Å; A56-W58 HydrophobicContact CB-CE3 3.75Å; A56-W58 HydrophobicContact CB-CG 4.29Å; A56-W58 HydrophobicContact CB-CH2 3.57Å; A56-W58 HydrophobicContact CB-CZ2 3.36Å; A56-W58 HydrophobicContact CB-CZ3 3.72Å; A56-W58 PolarHBondContact O-N 2.75Å; W58-Q60 PolarHBondContact O-N 2.03Å; W58-A61 WeakPolarHBondContact O-CB 3.25Å; W58-A61 PolarHBondContact O-N 3.3Å; W58-V64 HydrophobicContact CB-CG2 4.34Å; W58-V64 VanDerWaalsContact O-CB 3.26Å; W58-V64 WeakPolarHBondContact O-CB 3Å; W58-V64 WeakPolarHBondContact O-CG2 3.47Å; W58-Y120 HydrophobicContact CE3-CE1 4.32Å; W58-Y120 HydrophobicContact CZ3-CE1 4.48Å; W58-P121 HydrophobicContact CB-CG 3.98Å; W58-P121 HydrophobicContact CG-CG 4.12Å; W58-L156 PolarHBondContact NE1-O 2.78Å; W58-L158 HydrophobicContact CH2-CD1 4.26Å; W58-L158 HydrophobicContact CH2-CG 4.4Å; W58-L158 HydrophobicContact CZ2-CD1 4.38Å; W58-L158 HydrophobicContact CZ2-CD2 4.32Å; W58-L158 HydrophobicContact CZ2-CG 4.04Å
59G65.7Low81.5Confident61 Ų6170 Ų7063%0.62941%0.414SS*.G310 helixtrans-62.3-13179.100000115.1K57K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.03Å
60Q77.9Confident81.8Confident149 Ų14967.3 Ų67.370%0.69639%0.394SS*.G310 helixtrans-99.4-9.3173.1-62.1-176-20.300112.9K57 W58K57-Q60 HydrophobicContact CB-CB 4.39Å; K57-Q60 HydrophobicContact CB-CG 4.5Å; K57-Q60 VanDerWaalsContact CD-OE1 3.23Å; K57-Q60 PolarHBondContact O-N 3.35Å; W58-Q60 PolarHBondContact O-N 2.03Å
61A87.4Confident82.2Confident14 Ų1466.1 Ų66.112%0.11639%0.389CS..SBendtrans-75.3129.9176.400000110W58 P63 V64 A65 L155W58-A61 WeakPolarHBondContact O-CB 3.25Å; W58-A61 PolarHBondContact O-N 3.3Å; A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.33Å; A61-P63 VanDerWaalsContact O-N 3.17Å; A61-V64 HydrophobicContact CB-CG2 4.39Å; A61-V64 PolarHBondContact O-N 2.87Å; A61-A65 PolarHBondContact O-N 2.89Å; A61-L155 HydrophobicContact CB-CD1 3.77Å
62L88.9Confident82.5Confident76 Ų7667.3 Ų67.340%0.39840%0.404SS..Hα-helixtrans-48.4-44.4-176.8-17578000113.7V64 A65 L66 V187L62-V64 PolarHBondContact O-N 2.89Å; L62-A65 PolarHBondContact O-N 2.86Å; L62-L66 HydrophobicContact CD1-CD1 3.89Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CD2-CD1 4.34Å; L62-L66 HydrophobicContact CG-CD1 3.76Å; L62-L66 HydrophobicContact CG-CG 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.91Å; L62-L66 VanDerWaalsContact O-N 3.15Å; L62-V187 HydrophobicContact CD2-CB 4.25Å
63P93.2Very high82.7Confident3 Ų366.4 Ų66.42%0.01941%0.406CS..Hα-helixtrans-60-29.7177.5-26.736.9000114.7A61 V67 L124 A125 L155 V185 V187A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.33Å; A61-P63 VanDerWaalsContact O-N 3.17Å; P63-V67 WeakPolarHBondContact O-CG2 2.95Å; P63-L124 HydrophobicContact CB-CB 4.3Å; P63-L124 HydrophobicContact CB-CD2 4.14Å; P63-L124 CarbonylContact O-C 3.55Å; P63-L124 WeakPolarHBondContact O-CA 3.45Å; P63-A125 WeakPolarHBondContact O-CB 3.36Å; P63-A125 PolarHBondContact O-N 3.43Å; P63-L155 HydrophobicContact CB-CD2 4.45Å; P63-V185 HydrophobicContact CB-CG1 3.8Å; P63-V185 HydrophobicContact CG-CB 4.19Å; P63-V185 HydrophobicContact CG-CG1 3.59Å; P63-V187 HydrophobicContact CG-CG1 3.87Å
64V93.9Very high83.1Confident28 Ų2864.2 Ų64.217%0.1739%0.391CS..Hα-helixtrans-86-46.8-179.2-175.40000109.7W58 A61 L62 L66 V67 P121 L124W58-V64 HydrophobicContact CB-CG2 4.34Å; W58-V64 VanDerWaalsContact O-CB 3.26Å; W58-V64 WeakPolarHBondContact O-CB 3Å; W58-V64 WeakPolarHBondContact O-CG2 3.47Å; A61-V64 HydrophobicContact CB-CG2 4.39Å; A61-V64 PolarHBondContact O-N 2.87Å; L62-V64 PolarHBondContact O-N 2.89Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.34Å; V64-V67 PolarHBondContact O-N 2.86Å; V64-P121 HydrophobicContact CG1-CB 4.43Å; V64-P121 HydrophobicContact CG1-CG 4.21Å; V64-P121 HydrophobicContact CG2-CB 4.41Å; V64-P121 HydrophobicContact CG2-CG 3.92Å; V64-L124 HydrophobicContact CG2-CD2 3.62Å
65A92.2Very high83.4Confident54 Ų5461.1 Ų61.145%0.44639%0.386SS..Hα-helixtrans-62.1-31.3-176.500000113.6A61 L62A61-A65 PolarHBondContact O-N 2.89Å; L62-A65 PolarHBondContact O-N 2.86Å
66L93.3Very high84Confident41 Ų4168.3 Ų68.322%0.21539%0.393CS..THydrogen-bonded Turntrans-74.8-20179.9-73.4177.1000114.6L62 V64 S68 S69 L70 Y111 A125L62-L66 HydrophobicContact CD1-CD1 3.89Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CD2-CD1 4.34Å; L62-L66 HydrophobicContact CG-CD1 3.76Å; L62-L66 HydrophobicContact CG-CG 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.91Å; L62-L66 VanDerWaalsContact O-N 3.15Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.34Å; L66-S68 PolarHBondContact O-N 3Å; L66-S69 PolarHBondContact O-N 2.88Å; L66-L70 HydrophobicContact CB-CD1 4.14Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.16Å; L66-L70 VanDerWaalsContact O-N 3.09Å; L66-Y111 HydrophobicContact CD1-CD1 4.22Å; L66-Y111 HydrophobicContact CD1-CD2 4.37Å; L66-Y111 HydrophobicContact CD1-CE1 3.74Å; L66-Y111 HydrophobicContact CD1-CE2 3.9Å; L66-A125 HydrophobicContact CB-CB 3.72Å; L66-A125 HydrophobicContact CD1-CB 4.25Å
67V94.8Very high84Confident11 Ų1174.8 Ų74.87%0.06741%0.412CS..Hα-helixtrans-57.6-52.5-169.5176.30000111.7P63 V64 S69 L70 E71 V113 K123P63-V67 WeakPolarHBondContact O-CG2 2.95Å; V64-V67 PolarHBondContact O-N 2.86Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 3.38Å; V67-L70 PolarHBondContact O-N 3.33Å; V67-L70 VanDerWaalsContact O-N 3.07Å; V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 2.92Å; V67-V113 HydrophobicContact CG1-CG1 4.26Å; V67-K123 HydrophobicContact CG1-CB 3.77Å; V67-K123 HydrophobicContact CG1-CD 3.95Å; V67-K123 HydrophobicContact CG2-CB 4.16Å
68S92.3Very high83.2Confident89 Ų8978 Ų7862%0.62242%0.42SS*.Hα-helixtrans-57.9-40.4-176.4-49.40000112.8L66 A72L66-S68 PolarHBondContact O-N 3Å; S68-A72 WeakPolarHBondContact O-CB 3.43Å; S68-A72 PolarHBondContact O-N 2.85Å
69S91.6Very high82.1Confident79 Ų7986 Ų8655%0.55246%0.457SS*.Hα-helixtrans-67.8-38.9177.7-54.20000112.2L66 V67 A73L66-S69 PolarHBondContact O-N 2.88Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 3.38Å; S69-A73 WeakPolarHBondContact O-CB 3.38Å; S69-A73 PolarHBondContact O-N 2.86Å
70L92.4Very high81.5Confident45 Ų4589.7 Ų89.724%0.23646%0.458CS..Hα-helixtrans-69.3-39.2177.5-67.6170.1000112.2L66 V67 A73 G74 Y111 V113 A125L66-L70 HydrophobicContact CB-CD1 4.14Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.16Å; L66-L70 VanDerWaalsContact O-N 3.09Å; V67-L70 PolarHBondContact O-N 3.33Å; V67-L70 VanDerWaalsContact O-N 3.07Å; L70-A73 PolarHBondContact O-N 2.79Å; L70-G74 PolarHBondContact O-N 3.16Å; L70-Y111 HydrophobicContact CD1-CG 4.14Å; L70-Y111 HydrophobicContact CD2-CD2 4.28Å; L70-Y111 HydrophobicContact CD2-CG 4.42Å; L70-V113 HydrophobicContact CB-CG2 4.09Å; L70-V113 HydrophobicContact CD1-CG2 4.35Å; L70-A125 HydrophobicContact CD1-CB 3.54Å
71E92.3Very high80.1Confident67 Ų6793.9 Ų93.931%0.31347%0.468SS..Hα-helixtrans-65.9-46.7176-66-168.2132.300110.8V67 A73 G74 H75 V113 K123V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 2.92Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 2.83Å; E71-G74 PolarHBondContact O-N 3.2Å; E71-G74 VanDerWaalsContact O-N 3.11Å; E71-H75 PolarHBondContact O-CD2 2.86Å; E71-H75 PolarHBondContact O-N 3.14Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; E71-K123 WeakPolarHBondContact OE1-CD 3.49Å; E71-K123 WeakPolarHBondContact OE1-CE 3.33Å; E71-K123 IonicContact OE1-NZ 3.7Å; E71-K123 PolarHBondContact OE1-NZ 3.43Å; E71-K123 IonicContact OE2-NZ 3.51Å; E71-K123 PolarHBondContact OE2-NZ 2.76Å
72A89.4Confident78.6Confident65 Ų6599.3 Ų99.354%0.53750%0.502SS..Hα-helixtrans-56.8-43.7173.900000112.7S68 R76S68-A72 WeakPolarHBondContact O-CB 3.43Å; S68-A72 PolarHBondContact O-N 2.85Å; A72-R76 PolarHBondContact O-N 2.84Å
73A85.5Confident77Confident41 Ų41101.1 Ų101.134%0.33952%0.521SS..Hα-helixtrans-67.1-37.2175.200000112.8S69 L70 E71 R76 R77S69-A73 WeakPolarHBondContact O-CB 3.38Å; S69-A73 PolarHBondContact O-N 2.86Å; L70-A73 PolarHBondContact O-N 2.79Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 2.83Å; A73-R76 WeakPolarHBondContact O-CB 3.26Å; A73-R76 PolarHBondContact O-N 2.95Å; A73-R77 PolarHBondContact O-N 2.9Å
74G79.6Confident75.1Confident39 Ų39105 Ų10540%0.40255%0.553SS.*Hα-helixtrans-64.3-39.2177.500000113.2L70 E71 R76 R77 R78L70-G74 PolarHBondContact O-N 3.16Å; E71-G74 PolarHBondContact O-N 3.2Å; E71-G74 VanDerWaalsContact O-N 3.11Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 2.81Å; G74-R77 PolarHBondContact O-N 2.84Å; G74-R78 PolarHBondContact O-N 2.92Å; G74-R78 VanDerWaalsContact O-N 3.14Å
75H70.9Confident73.4Confident152 Ų152107 Ų10770%0.70457%0.572SS**Hα-helixtrans-60.6-38.3173.1-72.8-66.5000112.2E71E71-H75 PolarHBondContact O-CD2 2.86Å; E71-H75 PolarHBondContact O-N 3.14Å
76R67.9Low72Confident216 Ų216110.4 Ų110.482%0.81559%0.588SS**Hα-helixtrans-68.3-44.1174.7-170.6176.4179.1178.5-0.6112.3A72 A73 G74 R78A72-R76 PolarHBondContact O-N 2.84Å; A73-R76 WeakPolarHBondContact O-CB 3.26Å; A73-R76 PolarHBondContact O-N 2.95Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 2.81Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 3.13Å
77R63.8Low71.5Confident161 Ų161116.6 Ų116.661%0.60862%0.616SS**Hα-helixtrans-72.6-11.9-179-68.4-169.2-161.7-172.35.9115.1A73 G74 H79 E80A73-R77 PolarHBondContact O-N 2.9Å; G74-R77 PolarHBondContact O-N 2.84Å; R77-H79 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact O-N 3.07Å; R77-E80 PolarHBondContact O-N 3.2Å
78R57.7Low71.4Confident226 Ų226117.2 Ų117.285%0.85362%0.62SS**THydrogen-bonded Turntrans-60.9-16.3174.5-177.4172.7-82.7-134.90.1113G74 R76G74-R78 PolarHBondContact O-N 2.92Å; G74-R78 VanDerWaalsContact O-N 3.14Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 3.13Å
79H53.5Low71.4Confident188 Ų188115 Ų11587%0.8760%0.604SS**THydrogen-bonded Turntrans-85.4-10.2172.1-117.374.8000114.5R77R77-H79 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact O-N 3.07Å
80E52.8Low71.4Confident139 Ų139114.8 Ų114.865%0.6560%0.599SS**SBendtrans-107143.7-178.6-70.1-179.6130.700111.6R77R77-E80 PolarHBondContact O-N 3.2Å
81R49.1Very low71.3Confident238 Ų238114 Ų11490%0.89860%0.595SS**  trans-68.4134.4-175-155.7173.1-169154.61109.9S83R81-S83 PolarHBondContact O-N 3.46Å
82P55.3Low71Confident127 Ų127117.5 Ų117.583%0.82561%0.605SS**  trans-60.1109.9179.2-23.433.4000111.4
83S54.9Low70.2Confident114 Ų114118.2 Ų118.280%0.79760%0.604SS**  trans-73.1139.5171.856.70000109.8R81 A85R81-S83 PolarHBondContact O-N 3.46Å; S83-A85 PolarHBondContact O-N 2.84Å
84A54.4Low69.6Low84 Ų84123 Ų12369%0.69462%0.62SS**  trans-64.3108.4-169.600000111.6T86A84-T86 PolarHBondContact O-N 2.89Å
85A58.5Low69.2Low70 Ų70127 Ų12758%0.57963%0.628SS**THydrogen-bonded Turntrans-71.824.5-177.300000114.7S83S83-A85 PolarHBondContact O-N 2.84Å
86T62.2Low69.4Low126 Ų126121 Ų12177%0.77360%0.602SS**THydrogen-bonded Turntrans-105.9-13.9-165.3-39.10000113.2A84A84-T86 PolarHBondContact O-N 2.89Å
87Q83.4Confident69.7Low171 Ų171117 Ų11780%0.79960%0.596SS**SBendtrans-121.6139.8-177.6-64.9-179.13.700110.8
88C92.3Very high70.6Confident24 Ų24118.5 Ų118.516%0.16261%0.61CS.*PPolyproline II helixtrans-62.4131.5172.7178.40000109.3C131 E142C88-C131 HydrophobicContact CB-CB 3.75Å; C88-C131 WeakPolarHBondContact CB-SG 3.22Å; C88-C131 WeakPolarHBondContact SG-CB 3.44Å; C88-C131 CovalentContact SG-SG 2.03Å; C88-C131 PolarHBondContact SG-SG 2.91Å; C88-E142 HydrophobicContact CB-CB 4.08Å; C88-E142 HydrophobicContact CB-CG 4.24Å; C88-E142 WeakPolarHBondContact CB-OE2 3.49Å
89P92.3Very high71.9Confident43 Ų43108.7 Ų108.728%0.27958%0.578SS.*PPolyproline II helixtrans-64.6152.6179.227.8-35.9000111.4P108 L130 I135P89-P108 HydrophobicContact CG-CB 4.48Å; P89-P108 HydrophobicContact CG-CG 3.83Å; P89-L130 HydrophobicContact CG-CD1 4.14Å; P89-I135 HydrophobicContact CG-CD1 4.34Å; P89-I135 VanDerWaalsContact O-CD1 3.27Å; P89-I135 WeakPolarHBondContact O-CD1 3.49Å
90V92.2Very high73.6Confident74 Ų74104.6 Ų104.645%0.44856%0.562SS.*PPolyproline II helixtrans-91.9123166.8178.40000107.6G140 R141V90-G140 CarbonylContact C-O 3.59Å; V90-G140 VanDerWaalsContact CA-O 3.22Å; V90-G140 WeakPolarHBondContact CA-O 3.46Å; V90-G140 WeakPolarHBondContact CG1-O 3.34Å; V90-R141 HydrophobicContact CG1-CG 4.44Å; V90-R141 HydrophobicContact CG2-CG 4.46Å
91L89.6Confident75.6Confident28 Ų28102.2 Ų102.215%0.14756%0.557CS.*PPolyproline II helixtrans-94.5130176.4-62.1-178.1000110.6V96 Q103 S105 I135 G140L91-V96 HydrophobicContact CD2-CG1 4.16Å; L91-Q103 WeakPolarHBondContact CD2-O 3.32Å; L91-S105 WeakPolarHBondContact CD1-O 3.08Å; L91-I135 HydrophobicContact CB-CG2 4.31Å; L91-I135 HydrophobicContact CD1-CD1 3.77Å; L91-I135 HydrophobicContact CD1-CG2 4.33Å; L91-I135 HydrophobicContact CG-CD1 3.67Å; L91-I135 HydrophobicContact CG-CG2 4.36Å; L91-G140 PolarHBondContact N-O 3.05Å; L91-G140 WeakPolarHBondContact O-CA 3.44Å
92R85.5Confident77.7Confident141 Ų14192.5 Ų92.553%0.53252%0.522SS..  trans-112120.2171.3-72.8164.2170.1-179.5-0.9108.2E94 E95 V96R92-E94 PolarHBondContact O-N 2.98Å; R92-E95 HydrophobicContact CB-CB 4.24Å; R92-E95 HydrophobicContact CB-CG 3.98Å; R92-E95 WeakPolarHBondContact CD-OE1 3.48Å; R92-E95 WeakPolarHBondContact CD-OE2 3.41Å; R92-E95 IonicContact CZ-OE1 3.79Å; R92-E95 IonicContact NE-OE1 3.35Å; R92-E95 IonicContact NH1-OE1 2.85Å; R92-E95 PolarHBondContact NH1-OE1 2.72Å; R92-E95 PolarHBondContact O-N 2.73Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å
93P73.6Confident79.5Confident80 Ų8090.6 Ų90.652%0.51950%0.502SS..THydrogen-bonded Turntrans-49.1-32.9-173.7-30.536.5000114.8
94E72.6Confident81.3Confident142 Ų14292 Ų9266%0.66449%0.49SS*.THydrogen-bonded Turntrans-71.4-28.2-179.1-54.172.1-156.100112.9R92R92-E94 PolarHBondContact O-N 2.98Å
95E71.5Confident83.2Confident124 Ų12489 Ų8958%0.57946%0.463SS*.THydrogen-bonded Turntrans-91.5-11.5-174.8-64.4176.8-178.300113.2R92R92-E95 HydrophobicContact CB-CB 4.24Å; R92-E95 HydrophobicContact CB-CG 3.98Å; R92-E95 WeakPolarHBondContact CD-OE1 3.48Å; R92-E95 WeakPolarHBondContact CD-OE2 3.41Å; R92-E95 IonicContact CZ-OE1 3.79Å; R92-E95 IonicContact NE-OE1 3.35Å; R92-E95 IonicContact NH1-OE1 2.85Å; R92-E95 PolarHBondContact NH1-OE1 2.72Å; R92-E95 PolarHBondContact O-N 2.73Å
96V73.8Confident85Confident25 Ų2589 Ų8915%0.15245%0.453CS..SBendtrans-111.310.9-173.1-980000115.2L91 R92 A99 R104L91-V96 HydrophobicContact CD2-CG1 4.16Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å; V96-A99 HydrophobicContact CB-CB 4.18Å; V96-A99 HydrophobicContact CG1-CB 3.77Å; V96-A99 PolarHBondContact O-N 3.3Å; V96-R104 HydrophobicContact CB-CB 3.73Å; V96-R104 HydrophobicContact CG1-CB 3.77Å
97L75.7Confident86.7Confident131 Ų13183.2 Ų83.269%0.68642%0.418SS*.THydrogen-bonded Turntrans-62.4-46.9178.9-66.5175.8000112.8A99L97-A99 VanDerWaalsContact C-N 3.34Å
98E80.9Confident87.3Confident193 Ų19375.1 Ų75.190%0.90238%0.38SS*.THydrogen-bonded Turntrans-90.96.9179.2-60.2-56.7133.500113.5
99A85.5Confident87.5Confident21 Ų2175.2 Ų75.217%0.17438%0.377CS..SBendtrans-88.2148.9-174.200000112.4V96 L97 Q103 R104V96-A99 HydrophobicContact CB-CB 4.18Å; V96-A99 HydrophobicContact CG1-CB 3.77Å; V96-A99 PolarHBondContact O-N 3.3Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-Q103 HydrophobicContact CB-CB 4.07Å; A99-R104 WeakPolarHBondContact O-CD 3.08Å
100D90.3Very high87.6Confident102 Ų10277.6 Ų77.655%0.54538%0.38SS..  trans-61.3152.5176.1-82.5-39.4000111.7H102 Q103 R104D100-H102 WeakPolarHBondContact CB-CE1 3.45Å; D100-H102 WeakPolarHBondContact CB-ND1 3.16Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-H102 IonicContact OD2-CE1 3.22Å; D100-H102 PolarHBondContact OD2-CE1 2.99Å; D100-H102 VanDerWaalsContact OD2-CE1 3.28Å; D100-H102 IonicContact OD2-ND1 2.74Å; D100-Q103 HydrophobicContact CB-CG 4.34Å; D100-Q103 WeakPolarHBondContact O-CA 3.09Å; D100-Q103 WeakPolarHBondContact O-CB 3.06Å; D100-Q103 PolarHBondContact O-N 3.39Å; D100-R104 PolarHBondContact O-N 3.35Å; D100-R104 VanDerWaalsContact O-N 3.14Å
101T93.1Very high87.8Confident89 Ų8976.3 Ų76.355%0.54637%0.368SS..Hα-helixtrans-49.1-33.6177.1-59.80000113.9Q103 S105 W109T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.84Å; T101-S105 WeakPolarHBondContact O-CB 3.48Å; T101-S105 PolarHBondContact O-N 3.29Å; T101-S105 VanDerWaalsContact O-N 3.16Å; T101-W109 HydrophobicContact CG2-CH2 4.39Å
102H93.9Very high88Confident33 Ų3379.8 Ų79.815%0.15338%0.379CS..Hα-helixtrans-70.5-25.7178.671-93.9000113.9D100 P108 W109 Y111D100-H102 WeakPolarHBondContact CB-CE1 3.45Å; D100-H102 WeakPolarHBondContact CB-ND1 3.16Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-H102 IonicContact OD2-CE1 3.22Å; D100-H102 PolarHBondContact OD2-CE1 2.99Å; D100-H102 VanDerWaalsContact OD2-CE1 3.28Å; D100-H102 IonicContact OD2-ND1 2.74Å; H102-P108 WeakPolarHBondContact O-CA 3.26Å; H102-P108 WeakPolarHBondContact O-CB 3.27Å; H102-W109 HydrophobicContact CB-CD2 3.79Å; H102-W109 HydrophobicContact CB-CE3 4.47Å; H102-W109 HydrophobicContact CB-CG 4.1Å; H102-W109 HydrophobicContact CB-CH2 4.48Å; H102-W109 HydrophobicContact CB-CZ2 3.79Å; H102-W109 PolarHBondContact CD2-O 2.74Å; H102-W109 PolarHBondContact O-N 2.85Å; H102-W109 VanDerWaalsContact O-N 3.13Å; H102-Y111 HydrophobicContact CB-CE2 4.36Å
103Q92.3Very high88.5Confident88 Ų8875 Ų7541%0.41137%0.365SS..Hα-helixtrans-88.4-40.4-180-54177.9-83.600111.6L91 A99 D100 T101L91-Q103 WeakPolarHBondContact CD2-O 3.32Å; A99-Q103 HydrophobicContact CB-CB 4.07Å; D100-Q103 HydrophobicContact CB-CG 4.34Å; D100-Q103 WeakPolarHBondContact O-CA 3.09Å; D100-Q103 WeakPolarHBondContact O-CB 3.06Å; D100-Q103 PolarHBondContact O-N 3.39Å; T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.84Å
104R93.1Very high89.6Confident142 Ų14272.5 Ų72.554%0.53635%0.348SS..Hα-helixtrans-89.20.7-178.871-176.3-172.6133.76.5115.2V96 A99 D100V96-R104 HydrophobicContact CB-CB 3.73Å; V96-R104 HydrophobicContact CG1-CB 3.77Å; A99-R104 WeakPolarHBondContact O-CD 3.08Å; D100-R104 PolarHBondContact O-N 3.35Å; D100-R104 VanDerWaalsContact O-N 3.14Å
105S95.6Very high90.7Very high21 Ų2169 Ų6915%0.14734%0.336CS..SBendtrans-67.1138.9173.2170.30000111.1L91 T101 S107 P108L91-S105 WeakPolarHBondContact CD1-O 3.08Å; T101-S105 WeakPolarHBondContact O-CB 3.48Å; T101-S105 PolarHBondContact O-N 3.29Å; T101-S105 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact O-N 3.34Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-N 3.16Å; S105-S107 PolarHBondContact OG-O 2.86Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S105-P108 VanDerWaalsContact O-CD 3.26Å; S105-P108 WeakPolarHBondContact O-CD 3.33Å
106I95.9Very high91.9Very high72 Ų7264.7 Ų64.737%0.36932%0.317SS..SBendtrans-65.4-11.9169.762167.3000113.4C134 I135 C191I106-C134 CarbonylContact O-C 3.45Å; I106-C134 WeakPolarHBondContact O-CA 3.11Å; I106-C134 WeakPolarHBondContact O-CB 3.02Å; I106-I135 PolarHBondContact O-N 3.05Å; I106-C191 HydrophobicContact CD1-CB 3.96Å; I106-C191 HydrophobicContact CG1-CB 4.18Å
107S97.3Very high92.8Very high4 Ų467.8 Ų67.83%0.02833%0.33CS..SBendtrans-123.873.1168.745.70000107.1S105 W109 S148 C189 T190 C191S105-S107 PolarHBondContact O-N 3.34Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-N 3.16Å; S105-S107 PolarHBondContact OG-O 2.86Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S107-W109 VanDerWaalsContact O-CE3 3.31Å; S107-S148 WeakPolarHBondContact CA-OG 3.4Å; S107-S148 WeakPolarHBondContact CB-OG 3.23Å; S107-C189 PolarHBondContact OG-O 2.57Å; S107-T190 WeakPolarHBondContact OG-CA 3.4Å; S107-C191 PolarHBondContact OG-N 3.34Å
108P96.3Very high93.7Very high1 Ų165 Ų651%0.00632%0.316CS..  trans-72.7152-166.929.1-33.9000111.6P89 H102 S105 C129 L130 I135P89-P108 HydrophobicContact CG-CB 4.48Å; P89-P108 HydrophobicContact CG-CG 3.83Å; H102-P108 WeakPolarHBondContact O-CA 3.26Å; H102-P108 WeakPolarHBondContact O-CB 3.27Å; S105-P108 VanDerWaalsContact O-CD 3.26Å; S105-P108 WeakPolarHBondContact O-CD 3.33Å; P108-C129 WeakPolarHBondContact O-CA 3.48Å; P108-L130 HydrophobicContact CB-CD1 4.29Å; P108-L130 HydrophobicContact CG-CB 4.37Å; P108-L130 PolarHBondContact O-N 2.93Å; P108-I135 HydrophobicContact CG-CD1 3.8Å
109W96.5Very high94.3Very high26 Ų2656.5 Ų56.510%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-137.4156.4178.766.796.9000111.5T101 H102 S107 Y111 A127 E128 C189T101-W109 HydrophobicContact CG2-CH2 4.39Å; H102-W109 HydrophobicContact CB-CD2 3.79Å; H102-W109 HydrophobicContact CB-CE3 4.47Å; H102-W109 HydrophobicContact CB-CG 4.1Å; H102-W109 HydrophobicContact CB-CH2 4.48Å; H102-W109 HydrophobicContact CB-CZ2 3.79Å; H102-W109 PolarHBondContact CD2-O 2.74Å; H102-W109 PolarHBondContact O-N 2.85Å; H102-W109 VanDerWaalsContact O-N 3.13Å; S107-W109 VanDerWaalsContact O-CE3 3.31Å; W109-Y111 AromaticContact CD1-CE1 3.99Å; W109-Y111 AromaticContact CD1-CZ 3.9Å; W109-Y111 AromaticContact NE1-CE1 3.61Å; W109-Y111 AromaticContact NE1-CE2 3.63Å; W109-Y111 AromaticContact NE1-CZ 3.18Å; W109-Y111 PolarHBondContact NE1-OH 2.89Å; W109-Y111 VanDerWaalsContact NE1-OH 3.12Å; W109-A127 HydrophobicContact CB-CB 4.42Å; W109-A127 HydrophobicContact CG-CB 4.08Å; W109-E128 CarbonylContact C-O 3.5Å; W109-E128 WeakPolarHBondContact CA-O 3.47Å; W109-E128 WeakPolarHBondContact CB-O 3.37Å; W109-C189 HydrophobicContact CB-CB 4.29Å; W109-C189 HydrophobicContact CE3-CB 4.04Å; W109-C189 VanDerWaalsContact CE3-N 3.29Å; W109-C189 VanDerWaalsContact CZ3-O 3.3Å; W109-C189 WeakPolarHBondContact CZ3-O 3.33Å
110R94.8Very high94.6Very high92 Ų9258.1 Ų58.135%0.34728%0.277SS..EExtended strand (participates in β ladder)trans-105.2159.7162.462.6-178.1177.8-104.6-2.3109.3A127 E128 L130R110-A127 WeakPolarHBondContact O-CA 3.42Å; R110-E128 HydrophobicContact CG-CB 3.99Å; R110-E128 IonicContact CZ-OE2 3.75Å; R110-E128 VanDerWaalsContact CZ-OE2 3.22Å; R110-E128 PolarHBondContact N-O 3.15Å; R110-E128 IonicContact NE-OE2 3.22Å; R110-E128 PolarHBondContact NE-OE2 3.28Å; R110-E128 IonicContact NH2-OE2 2.82Å; R110-E128 PolarHBondContact NH2-OE2 3.26Å; R110-E128 PolarHBondContact O-N 2.9Å; R110-L130 HydrophobicContact CB-CD2 4.05Å; R110-L130 HydrophobicContact CG-CD2 3.79Å; R110-L130 VanDerWaalsContact NH1-CD2 3.27Å
111Y95.4Very high94.8Very high47 Ų4754 Ų5418%0.18426%0.256CS..EExtended strand (participates in β ladder)trans-96.8138164.6-64.6-75.2000110.8L66 L70 H102 W109 A125 F126 A127 V187L66-Y111 HydrophobicContact CD1-CD1 4.22Å; L66-Y111 HydrophobicContact CD1-CD2 4.37Å; L66-Y111 HydrophobicContact CD1-CE1 3.74Å; L66-Y111 HydrophobicContact CD1-CE2 3.9Å; L70-Y111 HydrophobicContact CD1-CG 4.14Å; L70-Y111 HydrophobicContact CD2-CD2 4.28Å; L70-Y111 HydrophobicContact CD2-CG 4.42Å; H102-Y111 HydrophobicContact CB-CE2 4.36Å; W109-Y111 AromaticContact CD1-CE1 3.99Å; W109-Y111 AromaticContact CD1-CZ 3.9Å; W109-Y111 AromaticContact NE1-CE1 3.61Å; W109-Y111 AromaticContact NE1-CE2 3.63Å; W109-Y111 AromaticContact NE1-CZ 3.18Å; W109-Y111 PolarHBondContact NE1-OH 2.89Å; W109-Y111 VanDerWaalsContact NE1-OH 3.12Å; Y111-A125 HydrophobicContact CD1-CB 4.18Å; Y111-F126 CarbonylContact C-O 3.57Å; Y111-F126 WeakPolarHBondContact CA-O 3.4Å; Y111-A127 HydrophobicContact CD1-CB 4.28Å; Y111-A127 HydrophobicContact CE1-CB 4.12Å; Y111-V187 PolarHBondContact OH-O 3.01Å
112R94.4Very high94.9Very high102 Ų10251.5 Ų51.539%0.38524%0.238SC..EExtended strand (participates in β ladder)trans-112.3139.6164.3-178.4-176.861.378.8-2.3108D114 F126 E128R112-D114 IonicContact CZ-OD2 3.2Å; R112-D114 IonicContact NH1-OD2 3.31Å; R112-D114 PolarHBondContact NH1-OD2 2.73Å; R112-D114 IonicContact NH2-OD2 2.86Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; R112-D114 PolarHBondContact O-N 3.02Å; R112-F126 PolarHBondContact N-O 3.22Å; R112-F126 PolarHBondContact O-N 2.9Å; R112-E128 VanDerWaalsContact CD-OE1 3.31Å; R112-E128 WeakPolarHBondContact CD-OE1 3.22Å; R112-E128 IonicContact CZ-OE1 3.14Å; R112-E128 IonicContact NE-OE1 2.85Å; R112-E128 PolarHBondContact NE-OE1 2.81Å
113V96.1Very high94.9Very high39 Ų3953.7 Ų53.724%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-76.8122.7167.9-178.40000108.6V67 L70 E71 K123V67-V113 HydrophobicContact CG1-CG1 4.26Å; L70-V113 HydrophobicContact CB-CG2 4.09Å; L70-V113 HydrophobicContact CD1-CG2 4.35Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; V113-K123 HydrophobicContact CG1-CB 3.95Å; V113-K123 HydrophobicContact CG1-CD 4.25Å; V113-K123 HydrophobicContact CG1-CG 4.16Å
114D96.8Very high95.1Very high28 Ų2849.5 Ų49.515%0.1523%0.228CC..EExtended strand (participates in β ladder)trans-100.5114.7175.1-168.7-100.9000109.4R112 R119 K123 L124 F126R112-D114 IonicContact CZ-OD2 3.2Å; R112-D114 IonicContact NH1-OD2 3.31Å; R112-D114 PolarHBondContact NH1-OD2 2.73Å; R112-D114 IonicContact NH2-OD2 2.86Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; R112-D114 PolarHBondContact O-N 3.02Å; D114-R119 PolarHBondContact O-NH2 2.77Å; D114-R119 VanDerWaalsContact O-NH2 3.14Å; D114-R119 IonicContact OD1-CZ 3.93Å; D114-R119 IonicContact OD1-NH1 3.05Å; D114-R119 PolarHBondContact OD1-NH1 3.3Å; D114-R119 VanDerWaalsContact OD1-NH1 3.11Å; D114-R119 IonicContact OD1-NH2 2.86Å; D114-R119 PolarHBondContact OD1-NH2 2.9Å; D114-K123 CarbonylContact O-C 3.59Å; D114-K123 VanDerWaalsContact O-CA 3.28Å; D114-K123 WeakPolarHBondContact O-CA 3.05Å; D114-L124 WeakPolarHBondContact CB-O 3.22Å; D114-L124 PolarHBondContact N-O 3.46Å; D114-L124 PolarHBondContact O-N 2.85Å; D114-F126 HydrophobicContact CB-CB 4.37Å; D114-F126 HydrophobicContact CB-CD1 3.45Å; D114-F126 VanDerWaalsContact CB-CD1 3.45Å; D114-F126 HydrophobicContact CB-CD2 4.2Å; D114-F126 HydrophobicContact CB-CE1 3.67Å; D114-F126 HydrophobicContact CB-CE2 4.37Å; D114-F126 HydrophobicContact CB-CG 3.76Å; D114-F126 HydrophobicContact CB-CZ 4.12Å
115T96.2Very high95.3Very high68 Ų6842.8 Ų42.842%0.41720%0.203SC..EExtended strand (participates in β ladder)trans-108.1127.6-179.6-50.50000109.6E117 K123T115-E117 VanDerWaalsContact CG2-OE1 3.31Å; T115-E117 WeakPolarHBondContact CG2-OE1 3.47Å; T115-K123 HydrophobicContact CG2-CG 4.19Å
116D95.7Very high95.4Very high35 Ų3543.4 Ų43.419%0.18720%0.203CC..  trans-134.9106.2-179.7179.5-15.8000107D118 R119 Q122 R159D116-D118 PolarHBondContact O-N 2.88Å; D116-D118 PolarHBondContact OD1-N 2.97Å; D116-R119 HydrophobicContact CB-CB 3.75Å; D116-R119 VanDerWaalsContact CG-CB 3.43Å; D116-R119 PolarHBondContact O-N 3.27Å; D116-R119 VanDerWaalsContact O-N 3.13Å; D116-R119 WeakPolarHBondContact OD2-CD 3.42Å; D116-R119 IonicContact OD2-CZ 3.86Å; D116-R119 IonicContact OD2-NE 2.74Å; D116-R119 IonicContact OD2-NH1 2.67Å; D116-R119 PolarHBondContact OD2-NH1 3.11Å; D116-Q122 PolarHBondContact N-O 3.14Å; D116-Q122 VanDerWaalsContact N-O 3.1Å; D116-Q122 WeakPolarHBondContact O-CA 3.47Å; D116-R159 IonicContact OD1-NH1 3.45Å; D116-R159 IonicContact OD2-CZ 3.66Å; D116-R159 IonicContact OD2-NH1 3.79Å; D116-R159 PolarHBondContact OD2-NH1 2.93Å
117E93.8Very high95.5Very high89 Ų8940 Ų4042%0.41619%0.186SC..THydrogen-bonded Turntrans-66.3-24.1-169.9-67-56.7145.700113.2L44 T115 Q122 R160L44-E117 HydrophobicContact CD1-CB 4.32Å; L44-E117 WeakPolarHBondContact CD2-OE2 3.31Å; L44-E117 WeakPolarHBondContact CG-OE2 3.32Å; T115-E117 VanDerWaalsContact CG2-OE1 3.31Å; T115-E117 WeakPolarHBondContact CG2-OE1 3.47Å; E117-Q122 PolarHBondContact O-NE2 3.48Å; E117-Q122 PolarHBondContact OE2-NE2 3.39Å; E117-R160 PolarHBondContact O-NH2 2.83Å
118D93.5Very high95.5Very high74 Ų7441.7 Ų41.740%0.39619%0.193SC..THydrogen-bonded Turntrans-97.318.6178.2-68.2-45.8000112.8D116 R159 R160D116-D118 PolarHBondContact O-N 2.88Å; D116-D118 PolarHBondContact OD1-N 2.97Å; D118-R159 CarbonylContact O-C 3.56Å; D118-R159 WeakPolarHBondContact O-CA 3.43Å; D118-R160 HydrophobicContact CB-CB 4.19Å; D118-R160 PolarHBondContact O-N 3.26Å; D118-R160 IonicContact OD1-CZ 3.32Å; D118-R160 IonicContact OD1-NE 2.89Å; D118-R160 PolarHBondContact OD1-NE 3.07Å; D118-R160 IonicContact OD1-NH2 2.65Å; D118-R160 PolarHBondContact OD1-NH2 2.73Å
119R93.9Very high95.5Very high13 Ų1343 Ų435%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-123.3144177.9-171.3175.167.7-149.47.4111.1D114 D116 P121 Q122 V157 L158D114-R119 PolarHBondContact O-NH2 2.77Å; D114-R119 VanDerWaalsContact O-NH2 3.14Å; D114-R119 IonicContact OD1-CZ 3.93Å; D114-R119 IonicContact OD1-NH1 3.05Å; D114-R119 PolarHBondContact OD1-NH1 3.3Å; D114-R119 VanDerWaalsContact OD1-NH1 3.11Å; D114-R119 IonicContact OD1-NH2 2.86Å; D114-R119 PolarHBondContact OD1-NH2 2.9Å; D116-R119 HydrophobicContact CB-CB 3.75Å; D116-R119 VanDerWaalsContact CG-CB 3.43Å; D116-R119 PolarHBondContact O-N 3.27Å; D116-R119 VanDerWaalsContact O-N 3.13Å; D116-R119 WeakPolarHBondContact OD2-CD 3.42Å; D116-R119 IonicContact OD2-CZ 3.86Å; D116-R119 IonicContact OD2-NE 2.74Å; D116-R119 IonicContact OD2-NH1 2.67Å; D116-R119 PolarHBondContact OD2-NH1 3.11Å; R119-P121 PolarHBondContact NE-O 3.26Å; R119-P121 CarbonylContact O-C 3.43Å; R119-Q122 PolarHBondContact NH2-O 2.78Å; R119-Q122 WeakPolarHBondContact O-CA 3.3Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-N 2.95Å; R119-Q122 VanDerWaalsContact O-N 3.14Å; R119-V157 HydrophobicContact CG-CB 3.86Å; R119-V157 HydrophobicContact CG-CG1 4.13Å; R119-V157 HydrophobicContact CG-CG2 4Å; R119-L158 CarbonylContact C-O 3.56Å; R119-L158 WeakPolarHBondContact CA-O 3.17Å
120Y92.5Very high95.5Very high56 Ų5644.3 Ų44.322%0.2221%0.211CC..EExtended strand (participates in β ladder)trans-122125.6164.8-174-85000110.4G45 A47 L52 W58 V157 L158G45-Y120 WeakPolarHBondContact O-CD2 3.48Å; G45-Y120 WeakPolarHBondContact O-CE2 3.39Å; A47-Y120 HydrophobicContact CB-CD1 3.72Å; A47-Y120 HydrophobicContact CB-CD2 3.62Å; A47-Y120 HydrophobicContact CB-CE1 3.96Å; A47-Y120 HydrophobicContact CB-CE2 3.85Å; A47-Y120 HydrophobicContact CB-CG 3.55Å; L52-Y120 HydrophobicContact CD2-CD1 4.19Å; L52-Y120 HydrophobicContact CD2-CE1 3.43Å; L52-Y120 VanDerWaalsContact CD2-CE1 3.43Å; W58-Y120 HydrophobicContact CE3-CE1 4.32Å; W58-Y120 HydrophobicContact CZ3-CE1 4.48Å; Y120-V157 WeakPolarHBondContact O-CA 3.41Å; Y120-V157 WeakPolarHBondContact O-CB 3.47Å; Y120-L158 HydrophobicContact CD1-CD1 4.31Å; Y120-L158 PolarHBondContact N-O 3.14Å; Y120-L158 PolarHBondContact O-N 2.8Å
121P93.7Very high95.6Very high16 Ų1640.4 Ų40.410%0.10420%0.197CC..SBendcis-64.3141.9-8.5-22.836.1000112.9W58 V64 R119 L124W58-P121 HydrophobicContact CB-CG 3.98Å; W58-P121 HydrophobicContact CG-CG 4.12Å; V64-P121 HydrophobicContact CG1-CB 4.43Å; V64-P121 HydrophobicContact CG1-CG 4.21Å; V64-P121 HydrophobicContact CG2-CB 4.41Å; V64-P121 HydrophobicContact CG2-CG 3.92Å; R119-P121 PolarHBondContact NE-O 3.26Å; R119-P121 CarbonylContact O-C 3.43Å; P121-L124 HydrophobicContact CB-CD2 4.4Å
122Q94.3Very high95.6Very high35 Ų3548.5 Ų48.516%0.16423%0.227CC..  trans-64.6-51.8-178.5-71.8-175.1-43.400111.5G45 D116 E117 R119G45-Q122 VanDerWaalsContact CA-OE1 3.27Å; D116-Q122 PolarHBondContact N-O 3.14Å; D116-Q122 VanDerWaalsContact N-O 3.1Å; D116-Q122 WeakPolarHBondContact O-CA 3.47Å; E117-Q122 PolarHBondContact O-NE2 3.48Å; E117-Q122 PolarHBondContact OE2-NE2 3.39Å; R119-Q122 PolarHBondContact NH2-O 2.78Å; R119-Q122 WeakPolarHBondContact O-CA 3.3Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-N 2.95Å; R119-Q122 VanDerWaalsContact O-N 3.14Å
123K95.3Very high95.7Very high79 Ų7943.9 Ų43.934%0.34321%0.211SC..EExtended strand (participates in β ladder)trans-91132-177.9-62.3-177.7-175.1179.60110.9V67 E71 V113 D114 T115V67-K123 HydrophobicContact CG1-CB 3.77Å; V67-K123 HydrophobicContact CG1-CD 3.95Å; V67-K123 HydrophobicContact CG2-CB 4.16Å; E71-K123 WeakPolarHBondContact OE1-CD 3.49Å; E71-K123 WeakPolarHBondContact OE1-CE 3.33Å; E71-K123 IonicContact OE1-NZ 3.7Å; E71-K123 PolarHBondContact OE1-NZ 3.43Å; E71-K123 IonicContact OE2-NZ 3.51Å; E71-K123 PolarHBondContact OE2-NZ 2.76Å; V113-K123 HydrophobicContact CG1-CB 3.95Å; V113-K123 HydrophobicContact CG1-CD 4.25Å; V113-K123 HydrophobicContact CG1-CG 4.16Å; D114-K123 CarbonylContact O-C 3.59Å; D114-K123 VanDerWaalsContact O-CA 3.28Å; D114-K123 WeakPolarHBondContact O-CA 3.05Å; T115-K123 HydrophobicContact CG2-CG 4.19Å
124L96.8Very high95.7Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-138.3138.9175.3-62.9177.2000110.1P63 V64 D114 P121 F126 L155 I183 V185P63-L124 HydrophobicContact CB-CB 4.3Å; P63-L124 HydrophobicContact CB-CD2 4.14Å; P63-L124 CarbonylContact O-C 3.55Å; P63-L124 WeakPolarHBondContact O-CA 3.45Å; V64-L124 HydrophobicContact CG2-CD2 3.62Å; D114-L124 WeakPolarHBondContact CB-O 3.22Å; D114-L124 PolarHBondContact N-O 3.46Å; D114-L124 PolarHBondContact O-N 2.85Å; P121-L124 HydrophobicContact CB-CD2 4.4Å; L124-F126 HydrophobicContact CB-CD1 3.95Å; L124-F126 HydrophobicContact CB-CE1 3.7Å; L124-F126 HydrophobicContact CD1-CE1 4.05Å; L124-F126 PolarHBondContact O-N 3.03Å; L124-L155 HydrophobicContact CD1-CD2 3.99Å; L124-L155 HydrophobicContact CD2-CD2 3.77Å; L124-I183 HydrophobicContact CD1-CD1 3.71Å; L124-V185 HydrophobicContact CD1-CG2 4.11Å
125A97.1Very high95.7Very high1 Ų140.9 Ų40.91%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-76.7116.3171.400000110.2P63 L66 L70 Y111P63-A125 WeakPolarHBondContact O-CB 3.36Å; P63-A125 PolarHBondContact O-N 3.43Å; L66-A125 HydrophobicContact CB-CB 3.72Å; L66-A125 HydrophobicContact CD1-CB 4.25Å; L70-A125 HydrophobicContact CD1-CB 3.54Å; Y111-A125 HydrophobicContact CD1-CB 4.18Å
126F97.8Very high95.6Very high34 Ų3439.1 Ų39.115%0.14918%0.182CC..EExtended strand (participates in β ladder)trans-106.7126.8178.5-87.344.5000110.1Y111 R112 D114 L124 V185 P186Y111-F126 CarbonylContact C-O 3.57Å; Y111-F126 WeakPolarHBondContact CA-O 3.4Å; R112-F126 PolarHBondContact N-O 3.22Å; R112-F126 PolarHBondContact O-N 2.9Å; D114-F126 HydrophobicContact CB-CB 4.37Å; D114-F126 HydrophobicContact CB-CD1 3.45Å; D114-F126 VanDerWaalsContact CB-CD1 3.45Å; D114-F126 HydrophobicContact CB-CD2 4.2Å; D114-F126 HydrophobicContact CB-CE1 3.67Å; D114-F126 HydrophobicContact CB-CE2 4.37Å; D114-F126 HydrophobicContact CB-CG 3.76Å; D114-F126 HydrophobicContact CB-CZ 4.12Å; L124-F126 HydrophobicContact CB-CD1 3.95Å; L124-F126 HydrophobicContact CB-CE1 3.7Å; L124-F126 HydrophobicContact CD1-CE1 4.05Å; L124-F126 PolarHBondContact O-N 3.03Å; F126-V185 HydrophobicContact CD1-CG1 3.79Å; F126-V185 HydrophobicContact CE1-CB 4.45Å; F126-V185 HydrophobicContact CE1-CG1 3.68Å; F126-V185 HydrophobicContact CE1-CG2 4.23Å; F126-V185 HydrophobicContact CZ-CG1 4.35Å; F126-V185 HydrophobicContact CZ-CG2 4.47Å; F126-P186 HydrophobicContact CB-CG 3.96Å; F126-P186 HydrophobicContact CD2-CG 3.66Å; F126-P186 HydrophobicContact CE2-CG 4.36Å; F126-P186 HydrophobicContact CG-CG 3.9Å
127A97.6Very high95.4Very high1 Ų142.1 Ų42.11%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-77.9132.3174.100000112.5W109 R110 Y111 P186 G188W109-A127 HydrophobicContact CB-CB 4.42Å; W109-A127 HydrophobicContact CG-CB 4.08Å; R110-A127 WeakPolarHBondContact O-CA 3.42Å; Y111-A127 HydrophobicContact CD1-CB 4.28Å; Y111-A127 HydrophobicContact CE1-CB 4.12Å; A127-P186 HydrophobicContact CB-CB 4.31Å; A127-P186 WeakPolarHBondContact CB-O 3.47Å; A127-P186 PolarHBondContact N-O 3.24Å; A127-P186 WeakPolarHBondContact O-CB 3.26Å; A127-G188 VanDerWaalsContact CB-CA 3.47Å; A127-G188 VanDerWaalsContact CB-N 3.33Å
128E96.8Very high95.3Very high39 Ų3948 Ų4818%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-122.3112.9175.4-65.2-179.8175.300109.3W109 R110 R112W109-E128 CarbonylContact C-O 3.5Å; W109-E128 WeakPolarHBondContact CA-O 3.47Å; W109-E128 WeakPolarHBondContact CB-O 3.37Å; R110-E128 HydrophobicContact CG-CB 3.99Å; R110-E128 IonicContact CZ-OE2 3.75Å; R110-E128 VanDerWaalsContact CZ-OE2 3.22Å; R110-E128 PolarHBondContact N-O 3.15Å; R110-E128 IonicContact NE-OE2 3.22Å; R110-E128 PolarHBondContact NE-OE2 3.28Å; R110-E128 IonicContact NH2-OE2 2.82Å; R110-E128 PolarHBondContact NH2-OE2 3.26Å; R110-E128 PolarHBondContact O-N 2.9Å; R112-E128 VanDerWaalsContact CD-OE1 3.31Å; R112-E128 WeakPolarHBondContact CD-OE1 3.22Å; R112-E128 IonicContact CZ-OE1 3.14Å; R112-E128 IonicContact NE-OE1 2.85Å; R112-E128 PolarHBondContact NE-OE1 2.81Å
129C97.2Very high95.2Very high29 Ų2948.5 Ų48.520%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-61.8136.6177.4-40.20000110.1P108 C189P108-C129 WeakPolarHBondContact O-CA 3.48Å; C129-C189 WeakPolarHBondContact CA-SG 3.39Å; C129-C189 HydrophobicContact CB-CB 3.92Å; C129-C189 WeakPolarHBondContact CB-SG 3.41Å; C129-C189 PolarHBondContact N-SG 2.91Å; C129-C189 VanDerWaalsContact N-SG 3.35Å; C129-C189 WeakPolarHBondContact SG-CB 3.43Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.23Å
130L96.1Very high95.2Very high54 Ų5448.2 Ų48.228%0.28323%0.229SC..SBendtrans-86.1-21.4-179.3-57.4-178.7000112.9P89 P108 R110P89-L130 HydrophobicContact CG-CD1 4.14Å; P108-L130 HydrophobicContact CB-CD1 4.29Å; P108-L130 HydrophobicContact CG-CB 4.37Å; P108-L130 PolarHBondContact O-N 2.93Å; R110-L130 HydrophobicContact CB-CD2 4.05Å; R110-L130 HydrophobicContact CG-CD2 3.79Å; R110-L130 VanDerWaalsContact NH1-CD2 3.27Å
131C95.9Very high95.3Very high9 Ų953.1 Ų53.16%0.06125%0.247CC..  trans-116.4156.1-176.9-49.90000109.9C88 G133 E142 S148C88-C131 HydrophobicContact CB-CB 3.75Å; C88-C131 WeakPolarHBondContact CB-SG 3.22Å; C88-C131 WeakPolarHBondContact SG-CB 3.44Å; C88-C131 CovalentContact SG-SG 2.03Å; C88-C131 PolarHBondContact SG-SG 2.91Å; C131-G133 WeakPolarHBondContact CB-O 3.5Å; C131-E142 HydrophobicContact CB-CG 4.37Å; C131-E142 WeakPolarHBondContact CB-OE1 3.45Å; C131-S148 WeakPolarHBondContact O-CB 3.47Å
132R95.8Very high95.4Very high218 Ų21856.4 Ų56.482%0.82326%0.261SS*.SBendtrans-88.1-47.4167.5-65.6-178.9179.7-1780.3109.7E142 N147 S148R132-E142 PolarHBondContact N-OE1 2.98Å; R132-N147 WeakPolarHBondContact O-CA 3.49Å; R132-S148 PolarHBondContact O-N 3.05Å
133G95.9Very high95.5Very high4 Ų456.8 Ų56.84%0.04127%0.265CS..SBendtrans-81.4-159.4170.500000112.3C131 E142 T143 L146 S148C131-G133 WeakPolarHBondContact CB-O 3.5Å; G133-E142 PolarHBondContact N-OE1 2.95Å; G133-T143 WeakPolarHBondContact CA-O 3.49Å; G133-L146 WeakPolarHBondContact CA-O 3.36Å; G133-S148 VanDerWaalsContact O-CB 3.25Å; G133-S148 WeakPolarHBondContact O-CB 3.36Å; G133-S148 PolarHBondContact O-N 3.13Å; G133-S148 PolarHBondContact O-OG 2.74Å
134C97.3Very high95.4Very high0 Ų057.5 Ų57.50%029%0.286CS..EExtended strand (participates in β ladder)trans-119.6164.8169-51.70000110.3I106 E142 T143 L146 N147 C191I106-C134 CarbonylContact O-C 3.45Å; I106-C134 WeakPolarHBondContact O-CA 3.11Å; I106-C134 WeakPolarHBondContact O-CB 3.02Å; C134-E142 CarbonylContact O-C 3.59Å; C134-E142 WeakPolarHBondContact O-CA 3.48Å; C134-T143 PolarHBondContact N-O 2.03Å; C134-T143 VanDerWaalsContact O-CG2 3.32Å; C134-T143 WeakPolarHBondContact O-CG2 3.43Å; C134-T143 PolarHBondContact O-N 3.32Å; C134-L146 HydrophobicContact CB-CB 3.94Å; C134-L146 HydrophobicContact CB-CD1 4.24Å; C134-L146 WeakPolarHBondContact SG-CB 3.5Å; C134-N147 VanDerWaalsContact SG-C 3.54Å; C134-C191 HydrophobicContact CB-CB 4.01Å; C134-C191 WeakPolarHBondContact CB-SG 3.37Å; C134-C191 WeakPolarHBondContact SG-CA 3.42Å; C134-C191 WeakPolarHBondContact SG-CB 3.31Å; C134-C191 CovalentContact SG-SG 2.03Å; C134-C191 PolarHBondContact SG-SG 3.19Å
135I96.3Very high95.3Very high4 Ų460.6 Ų60.62%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-87.1123.6179.1-61-177.3000109.3P89 L91 I106 P108 G140 R141P89-I135 HydrophobicContact CG-CD1 4.34Å; P89-I135 VanDerWaalsContact O-CD1 3.27Å; P89-I135 WeakPolarHBondContact O-CD1 3.49Å; L91-I135 HydrophobicContact CB-CG2 4.31Å; L91-I135 HydrophobicContact CD1-CD1 3.77Å; L91-I135 HydrophobicContact CD1-CG2 4.33Å; L91-I135 HydrophobicContact CG-CD1 3.67Å; L91-I135 HydrophobicContact CG-CG2 4.36Å; I106-I135 PolarHBondContact O-N 3.05Å; P108-I135 HydrophobicContact CG-CD1 3.8Å; I135-G140 WeakPolarHBondContact CG2-O 3.37Å; I135-R141 CarbonylContact C-O 3.52Å; I135-R141 WeakPolarHBondContact CA-O 3.33Å
136D94.8Very high95.3Very high32 Ų3263 Ų6317%0.17132%0.324CS..  trans-72.3122.2174-178-53.5000109R138 T139 G140 R141 T143D136-R138 PolarHBondContact O-N 2.71Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 WeakPolarHBondContact OD1-CA 3.46Å; D136-R138 VanDerWaalsContact OD1-CB 3.29Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 IonicContact OD1-CZ 3.8Å; D136-R138 PolarHBondContact OD1-N 3.47Å; D136-R138 IonicContact OD1-NE 3.71Å; D136-R138 PolarHBondContact OD1-NE 3.25Å; D136-R138 IonicContact OD1-NH2 2.97Å; D136-R138 IonicContact OD2-CZ 3.51Å; D136-R138 IonicContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.9Å; D136-R138 PolarHBondContact OD2-NH2 3.09Å; D136-T139 PolarHBondContact O-N 3.15Å; D136-T139 VanDerWaalsContact O-N 3.16Å; D136-G140 PolarHBondContact O-N 2.73Å; D136-R141 PolarHBondContact N-O 2.88Å; D136-T143 HydrophobicContact CB-CG2 4.17Å
137P90.5Very high95.3Very high97 Ų9764.2 Ų64.263%0.6333%0.332SS*.THydrogen-bonded Turntrans-66.2-14.3-174.127.6-36.1000114.5
138R91.3Very high95.3Very high212 Ų21264.9 Ų64.980%0.834%0.337SS*.THydrogen-bonded Turntrans-87-32.2174.7-65.6166.6-73-125.6-3.1113D136D136-R138 PolarHBondContact O-N 2.71Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 WeakPolarHBondContact OD1-CA 3.46Å; D136-R138 VanDerWaalsContact OD1-CB 3.29Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 IonicContact OD1-CZ 3.8Å; D136-R138 PolarHBondContact OD1-N 3.47Å; D136-R138 IonicContact OD1-NE 3.71Å; D136-R138 PolarHBondContact OD1-NE 3.25Å; D136-R138 IonicContact OD1-NH2 2.97Å; D136-R138 IonicContact OD2-CZ 3.51Å; D136-R138 IonicContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.9Å; D136-R138 PolarHBondContact OD2-NH2 3.09Å
139T93Very high95.4Very high86 Ų8665.8 Ų65.853%0.52835%0.345SS..THydrogen-bonded Turntrans-102-20.4-176.171.90000113.1D136 R141D136-T139 PolarHBondContact O-N 3.15Å; D136-T139 VanDerWaalsContact O-N 3.16Å; T139-R141 PolarHBondContact O-N 3.24Å; T139-R141 PolarHBondContact OG1-N 3.36Å; T139-R141 VanDerWaalsContact OG1-N 3.15Å
140G93.4Very high95.4Very high7 Ų771.8 Ų71.87%0.07236%0.363CS..  trans72.33.4-171.600000114.3V90 L91 I135 D136V90-G140 CarbonylContact C-O 3.59Å; V90-G140 VanDerWaalsContact CA-O 3.22Å; V90-G140 WeakPolarHBondContact CA-O 3.46Å; V90-G140 WeakPolarHBondContact CG1-O 3.34Å; L91-G140 PolarHBondContact N-O 3.05Å; L91-G140 WeakPolarHBondContact O-CA 3.44Å; I135-G140 WeakPolarHBondContact CG2-O 3.37Å; D136-G140 PolarHBondContact O-N 2.73Å
141R94.8Very high95.5Very high159 Ų15973.1 Ų73.160%0.637%0.37SS*.SBendtrans-111.5156.5-173-57.318072.6942.4112.5V90 I135 D136 T139V90-R141 HydrophobicContact CG1-CG 4.44Å; V90-R141 HydrophobicContact CG2-CG 4.46Å; I135-R141 CarbonylContact C-O 3.52Å; I135-R141 WeakPolarHBondContact CA-O 3.33Å; D136-R141 PolarHBondContact N-O 2.88Å; T139-R141 PolarHBondContact O-N 3.24Å; T139-R141 PolarHBondContact OG1-N 3.36Å; T139-R141 VanDerWaalsContact OG1-N 3.15Å
142E96.3Very high95.5Very high84 Ų8477.2 Ų77.239%0.39339%0.391SS..EExtended strand (participates in β ladder)trans-59.9133.6173.1-163.3173.9-16400111.9C88 C131 R132 G133 C134C88-E142 HydrophobicContact CB-CB 4.08Å; C88-E142 HydrophobicContact CB-CG 4.24Å; C88-E142 WeakPolarHBondContact CB-OE2 3.49Å; C131-E142 HydrophobicContact CB-CG 4.37Å; C131-E142 WeakPolarHBondContact CB-OE1 3.45Å; R132-E142 PolarHBondContact N-OE1 2.98Å; G133-E142 PolarHBondContact N-OE1 2.95Å; C134-E142 CarbonylContact O-C 3.59Å; C134-E142 WeakPolarHBondContact O-CA 3.48Å
143T95.5Very high95.5Very high43 Ų4370.6 Ų70.626%0.26437%0.37SS..EExtended strand (participates in β ladder)trans-120.3137.7169.6177.30000110.4G133 C134 D136 A145G133-T143 WeakPolarHBondContact CA-O 3.49Å; C134-T143 PolarHBondContact N-O 2.03Å; C134-T143 VanDerWaalsContact O-CG2 3.32Å; C134-T143 WeakPolarHBondContact O-CG2 3.43Å; C134-T143 PolarHBondContact O-N 3.32Å; D136-T143 HydrophobicContact CB-CG2 4.17Å; T143-A145 VanDerWaalsContact C-N 3.26Å; T143-A145 PolarHBondContact O-N 2.88Å; T143-A145 PolarHBondContact OG1-N 3.15Å
144A93.7Very high95.4Very high94 Ų9474.1 Ų74.178%0.77739%0.394SS*.THydrogen-bonded Turntrans-81.2-0.7176.600000113.6L146A144-L146 PolarHBondContact O-N 2.84Å
145A94.9Very high95.2Very high66 Ų6674.7 Ų74.755%0.54540%0.397SS..THydrogen-bonded Turntrans-71.2-11.3177.500000113.7T143 P194T143-A145 VanDerWaalsContact C-N 3.26Å; T143-A145 PolarHBondContact O-N 2.88Å; T143-A145 PolarHBondContact OG1-N 3.15Å; A145-P194 WeakPolarHBondContact O-CD 3.05Å; A145-P194 WeakPolarHBondContact O-CG 3.42Å
146L96.6Very high95Very high50 Ų5076.8 Ų76.826%0.26241%0.408SS..SBendtrans-138.2164.2-177.9-60170.8000108.7G133 C134 A144 C191 V192 L193G133-L146 WeakPolarHBondContact CA-O 3.36Å; C134-L146 HydrophobicContact CB-CB 3.94Å; C134-L146 HydrophobicContact CB-CD1 4.24Å; C134-L146 WeakPolarHBondContact SG-CB 3.5Å; A144-L146 PolarHBondContact O-N 2.84Å; L146-C191 VanDerWaalsContact CB-SG 3.58Å; L146-C191 VanDerWaalsContact CD1-SG 3.6Å; L146-V192 WeakPolarHBondContact CA-O 3.49Å; L146-L193 HydrophobicContact CD2-CD2 3.78Å
147N97.4Very high94.9Very high61 Ų6175.2 Ų75.233%0.32640%0.399SS..EExtended strand (participates in β ladder)trans-122.6136.2176-70.6-60.4000112R132 C134 V149 V192 P194R132-N147 WeakPolarHBondContact O-CA 3.49Å; C134-N147 VanDerWaalsContact SG-C 3.54Å; N147-V149 HydrophobicContact CB-CG1 4.36Å; N147-V192 HydrophobicContact CB-CG2 4.2Å; N147-V192 PolarHBondContact N-O 3.22Å; N147-V192 PolarHBondContact O-N 2.82Å; N147-P194 WeakPolarHBondContact ND2-CA 3.35Å; N147-P194 WeakPolarHBondContact ND2-CB 3.39Å
148S97.9Very high95Very high15 Ų1570.8 Ų70.811%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-78.6121.2163.5-77.50000109.8S107 C131 R132 G133 T190S107-S148 WeakPolarHBondContact CA-OG 3.4Å; S107-S148 WeakPolarHBondContact CB-OG 3.23Å; C131-S148 WeakPolarHBondContact O-CB 3.47Å; R132-S148 PolarHBondContact O-N 3.05Å; G133-S148 VanDerWaalsContact O-CB 3.25Å; G133-S148 WeakPolarHBondContact O-CB 3.36Å; G133-S148 PolarHBondContact O-N 3.13Å; G133-S148 PolarHBondContact O-OG 2.74Å; S148-T190 WeakPolarHBondContact CA-O 3.26Å
149V97.8Very high95.1Very high58 Ų5863.4 Ų63.435%0.35234%0.342SS..EExtended strand (participates in β ladder)trans-125145.7177.6-61.70000111.1N147 L151 C189 T190 V192N147-V149 HydrophobicContact CB-CG1 4.36Å; V149-L151 PolarHBondContact O-N 3.47Å; V149-C189 CarbonylContact O-C 3.53Å; V149-C189 VanDerWaalsContact O-CA 3.26Å; V149-C189 WeakPolarHBondContact O-CA 3.42Å; V149-T190 HydrophobicContact CG2-CG2 3.66Å; V149-T190 PolarHBondContact N-O 3.26Å; V149-T190 PolarHBondContact O-N 3.18Å; V149-V192 HydrophobicContact CB-CG2 4.45Å; V149-V192 HydrophobicContact CG1-CG2 3.76Å; V149-V192 HydrophobicContact CG2-CB 4.44Å; V149-V192 HydrophobicContact CG2-CG1 3.76Å; V149-V192 HydrophobicContact CG2-CG2 3.79Å
150R98.1Very high95.1Very high154 Ų15461.9 Ų61.958%0.58133%0.327SS*.EExtended strand (participates in β ladder)trans-69.6127.5178.9-64.3-179.6-179101.9-2.6110.4L152 P186R150-L152 HydrophobicContact CB-CD2 4.1Å; R150-P186 HydrophobicContact CB-CB 4.17Å; R150-P186 HydrophobicContact CG-CB 4.36Å
151L97.7Very high95.1Very high82 Ų8267.2 Ų67.243%0.42935%0.345SS..EExtended strand (participates in β ladder)trans-77.7122.2165.3-72.9175.8000108.8V149 P186 V187 G188 T190V149-L151 PolarHBondContact O-N 3.47Å; L151-P186 CarbonylContact O-C 3.56Å; L151-P186 VanDerWaalsContact O-CA 3.31Å; L151-P186 WeakPolarHBondContact O-CA 3.34Å; L151-V187 HydrophobicContact CB-CG2 4.15Å; L151-V187 WeakPolarHBondContact O-CG2 3.32Å; L151-V187 PolarHBondContact O-N 3.1Å; L151-G188 PolarHBondContact N-O 3.47Å; L151-T190 HydrophobicContact CD1-CG2 4.48Å; L151-T190 HydrophobicContact CD2-CG2 3.52Å; L151-T190 HydrophobicContact CG-CG2 3.82Å
152L97.2Very high94.9Very high95 Ų9564.6 Ų64.650%0.49735%0.348SS..EExtended strand (participates in β ladder)trans-107.3129.1-176.1-57.3-179.2000110.9R150 R184 V185 P186R150-L152 HydrophobicContact CB-CD2 4.1Å; L152-R184 HydrophobicContact CB-CB 4.45Å; L152-R184 HydrophobicContact CD1-CB 4.29Å; L152-V185 WeakPolarHBondContact CA-O 3.33Å; L152-P186 HydrophobicContact CD2-CB 3.94Å
153Q94.8Very high94.7Very high80 Ų8061.3 Ų61.337%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-104.2138.8169.4-175.9173.4-4.700109.9V185 V187Q153-V185 PolarHBondContact N-O 2.86Å; Q153-V185 PolarHBondContact O-N 2.89Å; Q153-V187 HydrophobicContact CB-CG1 3.67Å; Q153-V187 HydrophobicContact CB-CG2 4.24Å
154S94.1Very high94.4Very high77 Ų7760.7 Ų60.754%0.53833%0.332SS..EExtended strand (participates in β ladder)trans-77.2122.6168.4-169.40000109.4F182 I183S154-F182 WeakPolarHBondContact OG-CD1 3.37Å; S154-I183 WeakPolarHBondContact CA-O 3.26Å
155L92.7Very high93.9Very high12 Ų1262 Ų626%0.06332%0.317CS..EExtended strand (participates in β ladder)trans-123.2124.2179.1-175.265.5000109.6A61 P63 L124 V157 F182 I183 V185A61-L155 HydrophobicContact CB-CD1 3.77Å; P63-L155 HydrophobicContact CB-CD2 4.45Å; L124-L155 HydrophobicContact CD1-CD2 3.99Å; L124-L155 HydrophobicContact CD2-CD2 3.77Å; L155-V157 HydrophobicContact CD2-CG1 4.27Å; L155-V157 HydrophobicContact CG-CG1 4.25Å; L155-F182 WeakPolarHBondContact O-CA 3.46Å; L155-I183 HydrophobicContact CB-CG1 4.3Å; L155-I183 PolarHBondContact N-O 3.37Å; L155-I183 WeakPolarHBondContact O-CG1 3.45Å; L155-I183 PolarHBondContact O-N 3.11Å; L155-V185 HydrophobicContact CB-CG2 3.94Å; L155-V185 HydrophobicContact CD2-CG2 4Å
156L92.4Very high93.2Very high48 Ų4864.3 Ų64.325%0.25132%0.32SS..EExtended strand (participates in β ladder)trans-68.9133.1168.9-176.160.3000109A56 W58 T180 E181 F182A56-L156 HydrophobicContact CB-CD2 4.17Å; W58-L156 PolarHBondContact NE1-O 2.78Å; L156-T180 HydrophobicContact CD1-CG2 4.22Å; L156-E181 CarbonylContact C-O 3.55Å; L156-F182 HydrophobicContact CB-CD1 4.04Å; L156-F182 HydrophobicContact CB-CE1 3.72Å; L156-F182 HydrophobicContact CB-CZ 4.24Å; L156-F182 HydrophobicContact CD1-CD1 4.36Å; L156-F182 HydrophobicContact CD1-CD2 4.19Å; L156-F182 HydrophobicContact CD1-CE1 4.16Å; L156-F182 HydrophobicContact CD1-CE2 3.98Å; L156-F182 HydrophobicContact CD1-CG 4.39Å; L156-F182 HydrophobicContact CD1-CZ 3.97Å; L156-F182 HydrophobicContact CG-CE1 4.44Å; L156-F182 HydrophobicContact CG-CZ 4.5Å
157V93.1Very high92.1Very high0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-135.7160.7173.9-64.10000110.1R119 Y120 L155 T180 E181 I183R119-V157 HydrophobicContact CG-CB 3.86Å; R119-V157 HydrophobicContact CG-CG1 4.13Å; R119-V157 HydrophobicContact CG-CG2 4Å; Y120-V157 WeakPolarHBondContact O-CA 3.41Å; Y120-V157 WeakPolarHBondContact O-CB 3.47Å; L155-V157 HydrophobicContact CD2-CG1 4.27Å; L155-V157 HydrophobicContact CG-CG1 4.25Å; V157-T180 WeakPolarHBondContact O-CA 3.4Å; V157-E181 HydrophobicContact CG2-CB 4.27Å; V157-E181 WeakPolarHBondContact CG2-O 3.32Å; V157-E181 PolarHBondContact N-O 2.65Å; V157-E181 PolarHBondContact O-N 3.32Å; V157-I183 HydrophobicContact CG1-CD1 3.81Å; V157-I183 HydrophobicContact CG1-CG1 3.95Å; V157-I183 HydrophobicContact CG2-CD1 4.25Å; V157-I183 HydrophobicContact CG2-CG1 4.08Å; V157-I183 HydrophobicContact CG2-CG2 3.9Å
158L93Very high91.1Very high4 Ų465.8 Ų65.82%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-97.8125.9168.7-49.5173.5000108.8A47 L51 W58 R119 Y120 F178 H179 T180A47-L158 HydrophobicContact CB-CD1 3.86Å; L51-L158 HydrophobicContact CB-CD1 3.83Å; L51-L158 HydrophobicContact CD1-CD1 4.02Å; L51-L158 HydrophobicContact CD1-CD2 4.45Å; W58-L158 HydrophobicContact CH2-CD1 4.26Å; W58-L158 HydrophobicContact CH2-CG 4.4Å; W58-L158 HydrophobicContact CZ2-CD1 4.38Å; W58-L158 HydrophobicContact CZ2-CD2 4.32Å; W58-L158 HydrophobicContact CZ2-CG 4.04Å; R119-L158 CarbonylContact C-O 3.56Å; R119-L158 WeakPolarHBondContact CA-O 3.17Å; Y120-L158 HydrophobicContact CD1-CD1 4.31Å; Y120-L158 PolarHBondContact N-O 3.14Å; Y120-L158 PolarHBondContact O-N 2.8Å; L158-F178 HydrophobicContact CB-CB 4.4Å; L158-F178 HydrophobicContact CB-CD1 3.72Å; L158-F178 HydrophobicContact CB-CE1 4.47Å; L158-F178 HydrophobicContact CB-CG 4.42Å; L158-H179 CarbonylContact C-O 3.58Å; L158-H179 WeakPolarHBondContact CA-O 3.17Å; L158-T180 HydrophobicContact CD2-CG2 3.85Å
159R93.6Very high90.1Very high56 Ų5668.3 Ų68.321%0.21138%0.379CS..EExtended strand (participates in β ladder)trans-97.9124.1173.6-80.6-98.5-168.1-128.8-9.1110.2D116 D118 F178 H179 E181D116-R159 IonicContact OD1-NH1 3.45Å; D116-R159 IonicContact OD2-CZ 3.66Å; D116-R159 IonicContact OD2-NH1 3.79Å; D116-R159 PolarHBondContact OD2-NH1 2.93Å; D118-R159 CarbonylContact O-C 3.56Å; D118-R159 WeakPolarHBondContact O-CA 3.43Å; R159-F178 CarbonylContact O-C 3.49Å; R159-F178 WeakPolarHBondContact O-CA 3.05Å; R159-H179 PolarHBondContact N-O 3.24Å; R159-H179 PolarHBondContact O-N 3.3Å; R159-E181 HydrophobicContact CG-CB 3.94Å; R159-E181 HydrophobicContact CG-CG 4.49Å; R159-E181 WeakPolarHBondContact CG-OE2 3.35Å; R159-E181 IonicContact CZ-OE1 2.73Å; R159-E181 VanDerWaalsContact CZ-OE1 3.31Å; R159-E181 VanDerWaalsContact NE-CD 3.27Å; R159-E181 IonicContact NE-OE1 3.11Å; R159-E181 PolarHBondContact NE-OE1 3.06Å; R159-E181 IonicContact NE-OE2 2.85Å; R159-E181 PolarHBondContact NE-OE2 3Å; R159-E181 VanDerWaalsContact NE-OE2 3.14Å; R159-E181 IonicContact NH2-OE1 3.28Å; R159-E181 PolarHBondContact NH2-OE1 3.04Å
160R92.9Very high89.4Confident55 Ų5571.6 Ų71.621%0.20839%0.394CS..EExtended strand (participates in β ladder)trans-76.8130.9168.9-168.1170.565.6177.6-3.1109L44 E117 D118 F176 A177 F178L44-R160 VanDerWaalsContact CD1-NH1 3.28Å; L44-R160 VanDerWaalsContact CD1-NH2 3.31Å; E117-R160 PolarHBondContact O-NH2 2.83Å; D118-R160 HydrophobicContact CB-CB 4.19Å; D118-R160 PolarHBondContact O-N 3.26Å; D118-R160 IonicContact OD1-CZ 3.32Å; D118-R160 IonicContact OD1-NE 2.89Å; D118-R160 PolarHBondContact OD1-NE 3.07Å; D118-R160 IonicContact OD1-NH2 2.65Å; D118-R160 PolarHBondContact OD1-NH2 2.73Å; R160-F176 VanDerWaalsContact CD-CD2 3.43Å; R160-F176 HydrophobicContact CG-CB 3.56Å; R160-F176 HydrophobicContact CG-CD1 4.46Å; R160-F176 HydrophobicContact CG-CD2 3.47Å; R160-F176 VanDerWaalsContact CG-CD2 3.47Å; R160-F176 HydrophobicContact CG-CE2 4.26Å; R160-F176 HydrophobicContact CG-CG 3.58Å; R160-A177 WeakPolarHBondContact CA-O 3.41Å; R160-F178 HydrophobicContact CB-CD1 4.42Å; R160-F178 HydrophobicContact CB-CE1 4.1Å
161R92.1Very high88.9Confident119 Ų11967.7 Ų67.745%0.44939%0.388SS..EExtended strand (participates in β ladder)trans-138.6145.9177.6-61-172.3-177.9-168.80.8110.1F176 A177 E181R161-F176 CarbonylContact O-C 3.53Å; R161-F176 WeakPolarHBondContact O-CA 3.43Å; R161-F176 WeakPolarHBondContact O-CB 3.46Å; R161-A177 PolarHBondContact N-O 3.28Å; R161-A177 PolarHBondContact O-N 3.03Å; R161-E181 IonicContact NH2-OE2 4Å; R161-E181 PolarHBondContact NH2-OE2 3.07Å
162P91.9Very high88.4Confident103 Ų10365.8 Ų65.867%0.66938%0.38SS*.EExtended strand (participates in β ladder)trans-56.5146.1174.6-24.234.2000112P171 A175P162-P171 HydrophobicContact CB-CB 3.95Å; P162-P171 HydrophobicContact CB-CG 4.46Å; P162-A175 WeakPolarHBondContact CA-O 3.44Å
163C91Very high88.1Confident16 Ų1667.3 Ų67.311%0.10840%0.396CS..  trans-145.3161.2-178.972.30000113.2C36 T172 A175 F176 A177C36-C163 WeakPolarHBondContact CA-SG 3.02Å; C36-C163 HydrophobicContact CB-CB 4.49Å; C36-C163 WeakPolarHBondContact CB-SG 3.18Å; C36-C163 WeakPolarHBondContact SG-CB 3.46Å; C36-C163 CovalentContact SG-SG 2.03Å; C36-C163 PolarHBondContact SG-SG 2.88Å; C163-T172 PolarHBondContact O-N 3.3Å; C163-A175 PolarHBondContact N-O 2.9Å; C163-A175 VanDerWaalsContact N-O 3.15Å; C163-F176 VanDerWaalsContact SG-CA 3.57Å; C163-A177 HydrophobicContact CB-CB 3.88Å
164S88.8Confident87.7Confident30 Ų3066.3 Ų66.321%0.2141%0.407CS..  trans-92.3120.3175.8166.90000109.5C36 D166 G167 S168 G169 L170C36-S164 PolarHBondContact SG-O 3.41Å; C36-S164 VanDerWaalsContact SG-O 3.32Å; S164-D166 PolarHBondContact OG-OD1 3.09Å; S164-G167 WeakPolarHBondContact OG-CA 3.47Å; S164-G167 PolarHBondContact OG-N 3.24Å; S164-S168 PolarHBondContact OG-N 3.31Å; S164-S168 VanDerWaalsContact OG-N 3.15Å; S164-S168 PolarHBondContact OG-OG 3.07Å; S164-G169 PolarHBondContact OG-N 3.29Å; S164-L170 WeakPolarHBondContact CA-O 3.43Å; S164-L170 WeakPolarHBondContact CB-O 3.45Å
165R83Confident87.6Confident122 Ų12262.9 Ų62.946%0.4638%0.383SS..SBendtrans-77.9-27.6175.2-94.8-176.5164.9163.7-3113.1C36 S38 E41 T172 A175C36-R165 HydrophobicContact CB-CG 3.62Å; S38-R165 VanDerWaalsContact CB-NH2 3.26Å; S38-R165 PolarHBondContact OG-NH2 3.28Å; E41-R165 IonicContact OE2-CZ 3.74Å; E41-R165 IonicContact OE2-NH2 2.73Å; E41-R165 PolarHBondContact OE2-NH2 3.28Å; R165-T172 PolarHBondContact N-OG1 3.31Å; R165-A175 HydrophobicContact CG-CB 4.24Å
166D81.6Confident87.6Confident114 Ų11463 Ų6361%0.6138%0.383SS*.SBendtrans-96.9-4.3-173.461.7-16000113.8S164 S168S164-D166 PolarHBondContact OG-OD1 3.09Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.46Å; D166-S168 WeakPolarHBondContact OD1-CB 2.97Å; D166-S168 PolarHBondContact OD1-N 2.92Å; D166-S168 PolarHBondContact OD1-OG 2.92Å; D166-S168 VanDerWaalsContact OD2-CB 3.32Å; D166-S168 WeakPolarHBondContact OD2-CB 3.4Å; D166-S168 PolarHBondContact OD2-OG 3.13Å; D166-S168 VanDerWaalsContact OD2-OG 3.09Å
167G72.8Confident87.6Confident71 Ų7160.8 Ų60.873%0.73237%0.371SS*.SBendtrans74.85.8-176.700000114.3S164 G169S164-G167 WeakPolarHBondContact OG-CA 3.47Å; S164-G167 PolarHBondContact OG-N 3.24Å; G167-G169 PolarHBondContact O-N 2.99Å; G167-G169 VanDerWaalsContact O-N 3.16Å
168S77.7Confident87.5Confident71 Ų7161.8 Ų61.850%0.49738%0.376SS..SBendtrans-64.6-14.5177.364.40000114S164 D166 L170S164-S168 PolarHBondContact OG-N 3.31Å; S164-S168 VanDerWaalsContact OG-N 3.15Å; S164-S168 PolarHBondContact OG-OG 3.07Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.46Å; D166-S168 WeakPolarHBondContact OD1-CB 2.97Å; D166-S168 PolarHBondContact OD1-N 2.92Å; D166-S168 PolarHBondContact OD1-OG 2.92Å; D166-S168 VanDerWaalsContact OD2-CB 3.32Å; D166-S168 WeakPolarHBondContact OD2-CB 3.4Å; D166-S168 PolarHBondContact OD2-OG 3.13Å; D166-S168 VanDerWaalsContact OD2-OG 3.09Å; S168-L170 PolarHBondContact O-N 3.19Å; S168-L170 PolarHBondContact OG-N 2.98Å
169G75.9Confident87.4Confident67 Ų6764.9 Ų64.969%0.69139%0.39SS*.SBendtrans81.8-12.6-173.200000113.7S164 G167S164-G169 PolarHBondContact OG-N 3.29Å; G167-G169 PolarHBondContact O-N 2.99Å; G167-G169 VanDerWaalsContact O-N 3.16Å
170L83.6Confident87.2Confident127 Ų12767.1 Ų67.167%0.66541%0.41SS*.SBendtrans-85.8131.1174.1-169.469000110.1S164 S168 T172S164-L170 WeakPolarHBondContact CA-O 3.43Å; S164-L170 WeakPolarHBondContact CB-O 3.45Å; S168-L170 PolarHBondContact O-N 3.19Å; S168-L170 PolarHBondContact OG-N 2.98Å; L170-T172 PolarHBondContact O-N 2.72Å
171P86.3Confident87.2Confident72 Ų7267 Ų6747%0.46841%0.412SS..PPolyproline II helixtrans-59.5125.4177.2-24.234.5000111.7P162P162-P171 HydrophobicContact CB-CB 3.95Å; P162-P171 HydrophobicContact CB-CG 4.46Å
172T89.1Confident87.2Confident43 Ų4368.1 Ų68.126%0.26442%0.421SS..PPolyproline II helixtrans-73.8129173.8-50.60000108.4C163 R165 L170 G174 A175C163-T172 PolarHBondContact O-N 3.3Å; R165-T172 PolarHBondContact N-OG1 3.31Å; L170-T172 PolarHBondContact O-N 2.72Å; T172-G174 PolarHBondContact O-N 3.01Å; T172-A175 HydrophobicContact CG2-CB 4.31Å; T172-A175 WeakPolarHBondContact O-CB 3.31Å; T172-A175 PolarHBondContact O-N 3.14Å
173P89.2Confident87.4Confident126 Ų12664.2 Ų64.282%0.81839%0.394SS*.THydrogen-bonded Turntrans-53.6130.3-179-28.635.9000112.6A175P173-A175 PolarHBondContact O-N 3.42Å
174G87.4Confident87.7Confident60 Ų6072.9 Ų72.962%0.61942%0.424SS*.THydrogen-bonded Turntrans72.5-4.2-177.800000115.9T172T172-G174 PolarHBondContact O-N 3.01Å
175A91.3Very high88.1Confident4 Ų471.4 Ų71.43%0.03341%0.414CS..  trans-89.1138.3177.100000112Y37 P162 C163 R165 T172 P173Y37-A175 CarbonylContact O-C 3.57Å; Y37-A175 VanDerWaalsContact O-CA 3.26Å; Y37-A175 WeakPolarHBondContact O-CA 3.28Å; P162-A175 WeakPolarHBondContact CA-O 3.44Å; C163-A175 PolarHBondContact N-O 2.9Å; C163-A175 VanDerWaalsContact N-O 3.15Å; R165-A175 HydrophobicContact CG-CB 4.24Å; T172-A175 HydrophobicContact CG2-CB 4.31Å; T172-A175 WeakPolarHBondContact O-CB 3.31Å; T172-A175 PolarHBondContact O-N 3.14Å; P173-A175 PolarHBondContact O-N 3.42Å
176F92.4Very high88.8Confident16 Ų1666.1 Ų66.17%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-143.3152.5-177.957.4-95.2000113.4C36 Y37 L42 R160 R161 C163 F178C36-F176 CarbonylContact C-O 3.57Å; C36-F176 WeakPolarHBondContact CA-O 3.07Å; Y37-F176 HydrophobicContact CD2-CD2 4.42Å; Y37-F176 HydrophobicContact CD2-CE2 4.34Å; Y37-F176 HydrophobicContact CG-CE2 4.35Å; Y37-F176 PolarHBondContact N-O 2.67Å; Y37-F176 PolarHBondContact O-N 3.07Å; L42-F176 HydrophobicContact CB-CZ 4.26Å; L42-F176 HydrophobicContact CD2-CE2 4.22Å; R160-F176 VanDerWaalsContact CD-CD2 3.43Å; R160-F176 HydrophobicContact CG-CB 3.56Å; R160-F176 HydrophobicContact CG-CD1 4.46Å; R160-F176 HydrophobicContact CG-CD2 3.47Å; R160-F176 VanDerWaalsContact CG-CD2 3.47Å; R160-F176 HydrophobicContact CG-CE2 4.26Å; R160-F176 HydrophobicContact CG-CG 3.58Å; R161-F176 CarbonylContact O-C 3.53Å; R161-F176 WeakPolarHBondContact O-CA 3.43Å; R161-F176 WeakPolarHBondContact O-CB 3.46Å; C163-F176 VanDerWaalsContact SG-CA 3.57Å; F176-F178 HydrophobicContact CD2-CE2 4.09Å; F176-F178 HydrophobicContact CD2-CZ 4.48Å; F176-F178 AromaticContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CZ 4.14Å
177A92.4Very high89.5Confident0 Ų061.9 Ų61.90%037%0.374CS..EExtended strand (participates in β ladder)trans-119.9160.4172.300000110.3P34 R160 R161 C163P34-A177 HydrophobicContact CB-CB 4.18Å; P34-A177 HydrophobicContact CG-CB 4.25Å; R160-A177 WeakPolarHBondContact CA-O 3.41Å; R161-A177 PolarHBondContact N-O 3.28Å; R161-A177 PolarHBondContact O-N 3.03Å; C163-A177 HydrophobicContact CB-CB 3.88Å
178F91.8Very high90.7Very high22 Ų2258.6 Ų58.610%0.09634%0.34CS..EExtended strand (participates in β ladder)trans-104.2137.5174.8-72.9-84.4000111.8Y37 L42 P48 L51 L158 R159 R160 F176Y37-F178 HydrophobicContact CD2-CD2 4.12Å; Y37-F178 HydrophobicContact CD2-CE2 4.27Å; Y37-F178 HydrophobicContact CE2-CD2 4.04Å; L42-F178 HydrophobicContact CD2-CE2 3.43Å; L42-F178 VanDerWaalsContact CD2-CE2 3.43Å; L42-F178 HydrophobicContact CD2-CZ 3.76Å; P48-F178 HydrophobicContact CG-CD2 3.93Å; P48-F178 HydrophobicContact CG-CE2 4.01Å; L51-F178 HydrophobicContact CD1-CB 3.57Å; L51-F178 HydrophobicContact CD1-CD2 4.35Å; L51-F178 HydrophobicContact CD1-CG 4.14Å; L158-F178 HydrophobicContact CB-CB 4.4Å; L158-F178 HydrophobicContact CB-CD1 3.72Å; L158-F178 HydrophobicContact CB-CE1 4.47Å; L158-F178 HydrophobicContact CB-CG 4.42Å; R159-F178 CarbonylContact O-C 3.49Å; R159-F178 WeakPolarHBondContact O-CA 3.05Å; R160-F178 HydrophobicContact CB-CD1 4.42Å; R160-F178 HydrophobicContact CB-CE1 4.1Å; F176-F178 HydrophobicContact CD2-CE2 4.09Å; F176-F178 HydrophobicContact CD2-CZ 4.48Å; F176-F178 AromaticContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CZ 4.14Å
179H90.4Very high91.7Very high68 Ų6855.4 Ų55.432%0.31532%0.318SS..EExtended strand (participates in β ladder)trans-125.9137.7175.6-57.7-97.4000109.9L158 R159L158-H179 CarbonylContact C-O 3.58Å; L158-H179 WeakPolarHBondContact CA-O 3.17Å; R159-H179 PolarHBondContact N-O 3.24Å; R159-H179 PolarHBondContact O-N 3.3Å
180T90.4Very high92.8Very high104 Ų10454.6 Ų54.664%0.63830%0.299SS*.EExtended strand (participates in β ladder)trans-73.2129.9173.444.30000111.4L156 V157 L158L156-T180 HydrophobicContact CD1-CG2 4.22Å; V157-T180 WeakPolarHBondContact O-CA 3.4Å; L158-T180 HydrophobicContact CD2-CG2 3.85Å
181E91.4Very high93.5Very high52 Ų5249.9 Ų49.924%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-134.4140.5176.5-175.3177.2114.800109.5L156 V157 R159 R161 I183L156-E181 CarbonylContact C-O 3.55Å; V157-E181 HydrophobicContact CG2-CB 4.27Å; V157-E181 WeakPolarHBondContact CG2-O 3.32Å; V157-E181 PolarHBondContact N-O 2.65Å; V157-E181 PolarHBondContact O-N 3.32Å; R159-E181 HydrophobicContact CG-CB 3.94Å; R159-E181 HydrophobicContact CG-CG 4.49Å; R159-E181 WeakPolarHBondContact CG-OE2 3.35Å; R159-E181 IonicContact CZ-OE1 2.73Å; R159-E181 VanDerWaalsContact CZ-OE1 3.31Å; R159-E181 VanDerWaalsContact NE-CD 3.27Å; R159-E181 IonicContact NE-OE1 3.11Å; R159-E181 PolarHBondContact NE-OE1 3.06Å; R159-E181 IonicContact NE-OE2 2.85Å; R159-E181 PolarHBondContact NE-OE2 3Å; R159-E181 VanDerWaalsContact NE-OE2 3.14Å; R159-E181 IonicContact NH2-OE1 3.28Å; R159-E181 PolarHBondContact NH2-OE1 3.04Å; R161-E181 IonicContact NH2-OE2 4Å; R161-E181 PolarHBondContact NH2-OE2 3.07Å; E181-I183 HydrophobicContact CG-CG2 4.23Å; E181-I183 WeakPolarHBondContact OE1-CG2 3.44Å
182F93.4Very high94Very high143 Ų14349.1 Ų49.163%0.62727%0.27SS*.EExtended strand (participates in β ladder)trans-95.6121.5168.6-77.2-82.2000109.7S154 L155 L156S154-F182 WeakPolarHBondContact OG-CD1 3.37Å; L155-F182 WeakPolarHBondContact O-CA 3.46Å; L156-F182 HydrophobicContact CB-CD1 4.04Å; L156-F182 HydrophobicContact CB-CE1 3.72Å; L156-F182 HydrophobicContact CB-CZ 4.24Å; L156-F182 HydrophobicContact CD1-CD1 4.36Å; L156-F182 HydrophobicContact CD1-CD2 4.19Å; L156-F182 HydrophobicContact CD1-CE1 4.16Å; L156-F182 HydrophobicContact CD1-CE2 3.98Å; L156-F182 HydrophobicContact CD1-CG 4.39Å; L156-F182 HydrophobicContact CD1-CZ 3.97Å; L156-F182 HydrophobicContact CG-CE1 4.44Å; L156-F182 HydrophobicContact CG-CZ 4.5Å
183I95.3Very high94.4Very high21 Ų2153.9 Ų53.911%0.10829%0.293CS..EExtended strand (participates in β ladder)trans-109.3154.2176.660.5163.6000111.2L124 S154 L155 V157 E181 V185L124-I183 HydrophobicContact CD1-CD1 3.71Å; S154-I183 WeakPolarHBondContact CA-O 3.26Å; L155-I183 HydrophobicContact CB-CG1 4.3Å; L155-I183 PolarHBondContact N-O 3.37Å; L155-I183 WeakPolarHBondContact O-CG1 3.45Å; L155-I183 PolarHBondContact O-N 3.11Å; V157-I183 HydrophobicContact CG1-CD1 3.81Å; V157-I183 HydrophobicContact CG1-CG1 3.95Å; V157-I183 HydrophobicContact CG2-CD1 4.25Å; V157-I183 HydrophobicContact CG2-CG1 4.08Å; V157-I183 HydrophobicContact CG2-CG2 3.9Å; E181-I183 HydrophobicContact CG-CG2 4.23Å; E181-I183 WeakPolarHBondContact OE1-CG2 3.44Å; I183-V185 HydrophobicContact CD1-CG2 3.68Å; I183-V185 HydrophobicContact CG1-CG2 3.92Å
184R96.7Very high94.6Very high197 Ų19750.6 Ų50.674%0.74327%0.272SS*.EExtended strand (participates in β ladder)trans-96107.9174-66.3-169-63.3-127.90.1110.1L152L152-R184 HydrophobicContact CB-CB 4.45Å; L152-R184 HydrophobicContact CD1-CB 4.29Å
185V97.4Very high94.8Very high0 Ų059.1 Ų59.10%029%0.285CS..EExtended strand (participates in β ladder)trans-100.6128.3-179-177.20000110P63 L124 F126 L152 Q153 L155 I183 V187P63-V185 HydrophobicContact CB-CG1 3.8Å; P63-V185 HydrophobicContact CG-CB 4.19Å; P63-V185 HydrophobicContact CG-CG1 3.59Å; L124-V185 HydrophobicContact CD1-CG2 4.11Å; F126-V185 HydrophobicContact CD1-CG1 3.79Å; F126-V185 HydrophobicContact CE1-CB 4.45Å; F126-V185 HydrophobicContact CE1-CG1 3.68Å; F126-V185 HydrophobicContact CE1-CG2 4.23Å; F126-V185 HydrophobicContact CZ-CG1 4.35Å; F126-V185 HydrophobicContact CZ-CG2 4.47Å; L152-V185 WeakPolarHBondContact CA-O 3.33Å; Q153-V185 PolarHBondContact N-O 2.86Å; Q153-V185 PolarHBondContact O-N 2.89Å; L155-V185 HydrophobicContact CB-CG2 3.94Å; L155-V185 HydrophobicContact CD2-CG2 4Å; I183-V185 HydrophobicContact CD1-CG2 3.68Å; I183-V185 HydrophobicContact CG1-CG2 3.92Å; V185-V187 PolarHBondContact O-N 3.45Å
186P98.1Very high94.2Very high10 Ų1064.5 Ų64.57%0.06532%0.323CS..EExtended strand (participates in β ladder)trans-73.3117.5173.130.1-32.5000110.4F126 A127 R150 L151 L152F126-P186 HydrophobicContact CB-CG 3.96Å; F126-P186 HydrophobicContact CD2-CG 3.66Å; F126-P186 HydrophobicContact CE2-CG 4.36Å; F126-P186 HydrophobicContact CG-CG 3.9Å; A127-P186 HydrophobicContact CB-CB 4.31Å; A127-P186 WeakPolarHBondContact CB-O 3.47Å; A127-P186 PolarHBondContact N-O 3.24Å; A127-P186 WeakPolarHBondContact O-CB 3.26Å; R150-P186 HydrophobicContact CB-CB 4.17Å; R150-P186 HydrophobicContact CG-CB 4.36Å; L151-P186 CarbonylContact O-C 3.56Å; L151-P186 VanDerWaalsContact O-CA 3.31Å; L151-P186 WeakPolarHBondContact O-CA 3.34Å; L152-P186 HydrophobicContact CD2-CB 3.94Å
187V97.3Very high92.7Very high26 Ų2674 Ų7416%0.15838%0.382CS..EExtended strand (participates in β ladder)trans-100.2-16.5-177.2-70.60000113.8L62 P63 Y111 L151 Q153 V185L62-V187 HydrophobicContact CD2-CB 4.25Å; P63-V187 HydrophobicContact CG-CG1 3.87Å; Y111-V187 PolarHBondContact OH-O 3.01Å; L151-V187 HydrophobicContact CB-CG2 4.15Å; L151-V187 WeakPolarHBondContact O-CG2 3.32Å; L151-V187 PolarHBondContact O-N 3.1Å; Q153-V187 HydrophobicContact CB-CG1 3.67Å; Q153-V187 HydrophobicContact CB-CG2 4.24Å; V185-V187 PolarHBondContact O-N 3.45Å
188G98Very high92.7Very high2 Ų277.7 Ų77.72%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-175.7-168.4175.800000110.6A127 L151A127-G188 VanDerWaalsContact CB-CA 3.47Å; A127-G188 VanDerWaalsContact CB-N 3.33Å; L151-G188 PolarHBondContact N-O 3.47Å
189C98.3Very high92.7Very high4 Ų480.6 Ų80.63%0.02742%0.417CS..EExtended strand (participates in β ladder)trans-125.9149.9169.4-60.70000110.4S107 W109 C129 V149S107-C189 PolarHBondContact OG-O 2.57Å; W109-C189 HydrophobicContact CB-CB 4.29Å; W109-C189 HydrophobicContact CE3-CB 4.04Å; W109-C189 VanDerWaalsContact CE3-N 3.29Å; W109-C189 VanDerWaalsContact CZ3-O 3.3Å; W109-C189 WeakPolarHBondContact CZ3-O 3.33Å; C129-C189 WeakPolarHBondContact CA-SG 3.39Å; C129-C189 HydrophobicContact CB-CB 3.92Å; C129-C189 WeakPolarHBondContact CB-SG 3.41Å; C129-C189 PolarHBondContact N-SG 2.91Å; C129-C189 VanDerWaalsContact N-SG 3.35Å; C129-C189 WeakPolarHBondContact SG-CB 3.43Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.23Å; V149-C189 CarbonylContact O-C 3.53Å; V149-C189 VanDerWaalsContact O-CA 3.26Å; V149-C189 WeakPolarHBondContact O-CA 3.42Å
190T98.4Very high92.9Very high50 Ų5081.3 Ų81.331%0.30742%0.423SS..EExtended strand (participates in β ladder)trans-128.3158.8175.2-169.70000110S107 S148 V149 L151 V192S107-T190 WeakPolarHBondContact OG-CA 3.4Å; S148-T190 WeakPolarHBondContact CA-O 3.26Å; V149-T190 HydrophobicContact CG2-CG2 3.66Å; V149-T190 PolarHBondContact N-O 3.26Å; V149-T190 PolarHBondContact O-N 3.18Å; L151-T190 HydrophobicContact CD1-CG2 4.48Å; L151-T190 HydrophobicContact CD2-CG2 3.52Å; L151-T190 HydrophobicContact CG-CG2 3.82Å; T190-V192 HydrophobicContact CG2-CG1 4.14Å
191C98Very high93Very high28 Ų2880 Ų8019%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-97.9129.6178-172.60000110.3I106 S107 C134 L146I106-C191 HydrophobicContact CD1-CB 3.96Å; I106-C191 HydrophobicContact CG1-CB 4.18Å; S107-C191 PolarHBondContact OG-N 3.34Å; C134-C191 HydrophobicContact CB-CB 4.01Å; C134-C191 WeakPolarHBondContact CB-SG 3.37Å; C134-C191 WeakPolarHBondContact SG-CA 3.42Å; C134-C191 WeakPolarHBondContact SG-CB 3.31Å; C134-C191 CovalentContact SG-SG 2.03Å; C134-C191 PolarHBondContact SG-SG 3.19Å; L146-C191 VanDerWaalsContact CB-SG 3.58Å; L146-C191 VanDerWaalsContact CD1-SG 3.6Å
192V97.8Very high93.1Very high55 Ų5581.8 Ų81.833%0.33342%0.42SS..EExtended strand (participates in β ladder)trans-131.7155.9-179.7-61.50000112.1L146 N147 V149 T190L146-V192 WeakPolarHBondContact CA-O 3.49Å; N147-V192 HydrophobicContact CB-CG2 4.2Å; N147-V192 PolarHBondContact N-O 3.22Å; N147-V192 PolarHBondContact O-N 2.82Å; V149-V192 HydrophobicContact CB-CG2 4.45Å; V149-V192 HydrophobicContact CG1-CG2 3.76Å; V149-V192 HydrophobicContact CG2-CB 4.44Å; V149-V192 HydrophobicContact CG2-CG1 3.76Å; V149-V192 HydrophobicContact CG2-CG2 3.79Å; T190-V192 HydrophobicContact CG2-CG1 4.14Å
193L97.4Very high93.1Very high143 Ų14377.7 Ų77.775%0.74941%0.407SS*.PPolyproline II helixtrans-59.7141.4165.5-66.5175.9000109.8L146L146-L193 HydrophobicContact CD2-CD2 3.78Å
194P94Very high92.9Very high57 Ų5781.7 Ų81.737%0.3743%0.428SS..PPolyproline II helixtrans-60.2150.7169.2-20.134000111A145 N147 S196A145-P194 WeakPolarHBondContact O-CD 3.05Å; A145-P194 WeakPolarHBondContact O-CG 3.42Å; N147-P194 WeakPolarHBondContact ND2-CA 3.35Å; N147-P194 WeakPolarHBondContact ND2-CB 3.39Å; P194-S196 PolarHBondContact O-N 3.11Å
195R90.2Very high92.6Very high239 Ų23972.8 Ų72.890%0.90240%0.404SS*.PPolyproline II helixtrans-68.2131.5166.6-65.7179.9177.9167.7-2.4107.9V197R195-V197 PolarHBondContact O-N 3.1Å
196S79.6Confident92.3Very high118 Ų11878.9 Ų78.983%0.82544%0.437SS*.PPolyproline II helixtrans-57.1131.2161.751.10000108.7P194P194-S196 PolarHBondContact O-N 3.11Å
197V60Low91.7Very high215 Ų21585.2 Ų85.2100%1.30347%0.471SS*.  trans-82.20165.8-1770000108.2R195R195-V197 PolarHBondContact O-N 3.1Å

Retrieved 197 of 197 residues in 32.1 ms (Link to these results)