X5DSG8_CALMI Loading...

Runt-related transcription factor

AlphaFold DB , UniProt , Accession X5DSG8, Species CALMI (Callorhinchus milii, Ghost shark), Gene Runx3, Length 422 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
1M42.1Very low40.3Very low241 Ų241141.3 Ų141.3100%1.18780%0.795SS**  080.40-68.1167.513100106
2A36.3Very low39.8Very low87 Ų87140.3 Ų140.372%0.71980%0.795SS**  71.8101.785.100000109.4
3S40.5Very low39.7Very low97 Ų97145.8 Ų145.868%0.67880%0.798SS**  91.4135.687.766.30000110
4N40.3Very low40.5Very low146 Ų146143.5 Ų143.578%0.78179%0.794SS**  cis-164.7155.621.2-85.8-39.2000110.4
5S47.1Very low40.3Very low112 Ų112145.2 Ų145.278%0.78379%0.793SS**  trans-57.2150.7152.5-39.50000112.4
6I42Very low41Very low148 Ų148143.2 Ų143.276%0.75979%0.79SS**  trans-160118.5153.6-104.4144.1000111.5
7F38.7Very low41Very low177 Ų177148.1 Ų148.178%0.77680%0.796SS**  trans49.8119.7150.1-72.5-100.3000120.9
8D34.8Very low40.8Very low130 Ų130149.3 Ų149.370%0.69580%0.801SS**  73.1120.653-153.61.8000112.7
9S36.7Very low40.4Very low115 Ų115152.8 Ų152.880%0.80480%0.801SS**  trans165.9101.1149.1-73.60000113
10F41.6Very low40Very low186 Ų186151.4 Ų151.482%0.81680%0.795SS**  trans-75.4146.6151.3-70.4-94.3000109.5T12F10-T12 PolarHBondContact O-N 3.25Å
11P43.5Very low40.2Very low115 Ų115149.7 Ų149.775%0.74779%0.792SS**  trans-84.5100.3165.730.4-27000110.4
12T33.6Very low39.8Very low130 Ų130145.4 Ų145.480%0.79877%0.774SS**PPolyproline II helixtrans-79.9120.9154.5-54.40000108.1F10F10-T12 PolarHBondContact O-N 3.25Å
13Y38.8Very low39.9Very low211 Ų211147.2 Ų147.283%0.82778%0.776SS**PPolyproline II helixtrans-86.7138.6166.9-92.3-86.8000110.4
14P51.3Low39.8Very low114 Ų114148.2 Ų148.274%0.7478%0.784SS**PPolyproline II helixtrans-92.4151.6-174.535.8-32.9000113.5
15Q37.4Very low39.8Very low169 Ų169152.8 Ų152.879%0.7979%0.79SS**PPolyproline II helixtrans-70.2152.6158.5-79.8-78.31.700111.4
16P51.5Low39.5Very low113 Ų113158.1 Ų158.173%0.73479%0.793SS**  trans-117.2137.6145.433.5-21.9000112.2
17Y41.3Very low39.2Very low227 Ų227160.9 Ų160.989%0.8980%0.8SS**  trans-71.4136.3169.8-69.8-95.2000111.8
18L37.8Very low39.6Very low169 Ų169157.6 Ų157.689%0.88579%0.794SS**  178.5108.2128.2-131.179.2000114
19R33.2Very low39.8Very low217 Ų217156.8 Ų156.882%0.81980%0.796SS**  38.9120.2128.3-154.9162-169.7165.12.7124.7
20D32.3Very low40.1Very low124 Ų124157.3 Ų157.366%0.66380%0.797SS**  trans66.5158.1142.2-68.5-25.4000122.8
21P44.4Very low39.6Very low115 Ų115154 Ų15475%0.74780%0.797SS**  cis-135.6-176.8-27.333.6-13.2000114.2
22N33.3Very low39.2Very low151 Ų151155.1 Ų155.181%0.80780%0.802SS**  trans83.3106.5166.4-136.54.9000114.1
23T36.9Very low39.3Very low125 Ų125155.1 Ų155.177%0.76780%0.802SS**  -154.6124.268.458.70000112.4
24S38.7Very low39.5Very low119 Ų119153.1 Ų153.183%0.83281%0.805SS**  trans-74.6118.4170.4-63.70000111.6
25R41.2Very low38.6Very low241 Ų241153.7 Ų153.791%0.90981%0.811SS**  trans-136.182.4152-73.3-164.7-168.8-119.23.4109.3
26R41.4Very low38.3Very low224 Ų224150.9 Ų150.985%0.84581%0.81SS**  trans-94.3112.6170.1-167.5178.4-133-135.91.8107.6
27F35.9Very low37.6Very low207 Ų207151.5 Ų151.591%0.90882%0.817SS**  trans-76.4117.6167.6-105.7-95.3000108.5
28T45.5Very low37.3Very low107 Ų107144.6 Ų144.666%0.65682%0.815SS**  trans-105.3138.2169.731.60000109.6
29P40Very low37.1Very low113 Ų113142.5 Ų142.573%0.73482%0.815SS**PPolyproline II helixtrans-79.3150175.333.3-33000110.9
30P42.8Very low37.2Very low126 Ų126135.5 Ų135.582%0.81881%0.81SS**PPolyproline II helixtrans-84.7128.3179.232-29.7000111.6
31S31Very low37.4Very low117 Ų117139 Ų13982%0.81882%0.819SS**PPolyproline II helixtrans-97135.1156.5-59.10000108.5
32T34.1Very low37.2Very low139 Ų139141.5 Ų141.585%0.85382%0.823SS**  trans-120.9114.3169.333.30000109.9
33T36.6Very low37.6Very low129 Ų129139.9 Ų139.979%0.79182%0.823SS**  trans-124.9113.4162.349.20000109.5
34L42.6Very low37.6Very low170 Ų170141.4 Ų141.489%0.8982%0.822SS**  trans28.6126.2142.5-55.9168.9000120.5
35S33.3Very low38Very low125 Ų125141.7 Ų141.787%0.87482%0.821SS**  -169.2142.6128.549.30000113.8
36S31.1Very low37.9Very low110 Ų110134.6 Ų134.677%0.76980%0.804SS**  trans-62.1147.3176.755.50000116.1
37S36.1Very low37.7Very low127 Ų127130 Ų13089%0.88881%0.806SS**  159.3128.1128.852.40000110.2
38G35Very low38Very low81 Ų81128.1 Ų128.184%0.83580%0.804SS**  trans169.784.2-179.100000112.7
39S34.3Very low37.7Very low126 Ų126128.7 Ų128.788%0.88181%0.813SS**  trans-52.9141.8177.246.10000116.5
40G35.2Very low37.6Very low70 Ų70132.1 Ų132.172%0.72282%0.819SS**  trans112.1102.5138.200000117.2
41K35.7Very low38Very low197 Ų197131.2 Ų131.286%0.85781%0.813SS**  169.3136.8104-90.7178.3176.5-1780111.5
42M40.5Very low38.1Very low168 Ų168131.2 Ų131.283%0.82881%0.813SS**  trans-16.3134164.567.1-156.2-161.500118.1
43S41.2Very low38.5Very low116 Ų116130.8 Ų130.881%0.81181%0.813SS**  159.2119.3106.858.40000110.4
44E38.3Very low38.5Very low158 Ų158128.1 Ų128.174%0.73881%0.811SS**  trans-67160.5164.8-127.3-166.3-177.200110.8V46E44-V46 WeakPolarHBondContact OE1-CG2 3.2Å
45P47.2Very low38.5Very low124 Ų124126.2 Ų126.281%0.80581%0.806SS**  -141.4151.478.233.7-15.3000116.6
46V38.8Very low39Very low93 Ų93128.4 Ų128.456%0.56481%0.807SS**  trans-45.9136.7164.9177.90000113.4E44E44-V46 WeakPolarHBondContact OE1-CG2 3.2Å
47S35.6Very low39.4Very low126 Ų126127.9 Ų127.988%0.88180%0.803SS**  trans-145.3129.2147.5-74.20000109.9
48L43.3Very low39.7Very low168 Ų168133.1 Ų133.188%0.8880%0.804SS**  trans-96.4119.4-168.3-161.881.2000109.7
49S38.1Very low40Very low120 Ų120135.5 Ų135.584%0.83980%0.802SS**  trans-165113152.652.50000112.6
50Q39.4Very low40.4Very low185 Ų185140 Ų14086%0.86480%0.8SS**  trans-80.4177.8159.7-103.4-174.2-31.400109.8
51P51.2Low41.1Very low107 Ų107140.6 Ų140.670%0.69579%0.791SS**  cis-133.5159.7-43.934.8-17.9000111.7
52S31.8Very low41.9Very low117 Ų117139.8 Ų139.882%0.81879%0.79SS**  trans-166.5149.5152.529.70000112.3G54S52-G54 PolarHBondContact O-N 2.81Å
53P43.8Very low42.8Very low130 Ų130137.1 Ų137.184%0.84478%0.783SS**  trans-82.6108.5-154.232.1-31.7000111.1V55P53-V55 PolarHBondContact O-N 3.45Å; P53-V55 VanDerWaalsContact O-N 3.08Å
54G36.8Very low44Very low73 Ų73140.1 Ų140.175%0.75378%0.777SS**  trans-68.3103.1172.400000110.8S52 L56S52-G54 PolarHBondContact O-N 2.81Å; G54-L56 PolarHBondContact O-N 3.35Å
55V42.2Very low46Very low129 Ų129135.9 Ų135.978%0.78276%0.762SS**  trans30.694.3139-172.10000113.6P53 S57P53-V55 PolarHBondContact O-N 3.45Å; P53-V55 VanDerWaalsContact O-N 3.08Å; V55-S57 PolarHBondContact O-N 3.08Å
56L42.5Very low47.4Very low171 Ų171131.5 Ų131.590%0.89573%0.732SS**  trans-53.6100152.2-80.1163.3000106.7G54 R58G54-L56 PolarHBondContact O-N 3.35Å; L56-R58 PolarHBondContact O-N 2.83Å
57S41Very low49.2Very low99 Ų99131.5 Ų131.569%0.69273%0.733SS**  trans-56.790.5160.846.40000106.2V55 V59V55-S57 PolarHBondContact O-N 3.08Å; S57-V59 VanDerWaalsContact C-N 3.28Å; S57-V59 PolarHBondContact O-N 2.75Å
58R41.2Very low51Low237 Ų237129.6 Ų129.689%0.89471%0.713SS**  trans-51.3101.4166-172.1177.1-166175.23.3104.9L56 R60L56-R58 PolarHBondContact O-N 2.83Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å
59V41.9Very low52.6Low131 Ų131122.1 Ų122.179%0.79467%0.674SS**  trans-50.7105.6171.6174.70000104.7S57S57-V59 VanDerWaalsContact C-N 3.28Å; S57-V59 PolarHBondContact O-N 2.75Å
60R42.6Very low54.5Low221 Ų221118.8 Ų118.883%0.83465%0.647SS**PPolyproline II helixtrans-57.8124.2175.9-165.7174.5-176.3169.5-0.1104.4R58 E62R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å; R60-E62 PolarHBondContact O-N 2.95Å
61P50.4Low55.9Low83 Ų83113.3 Ų113.354%0.53963%0.633SS.*PPolyproline II helixtrans-55.9117.9175.922.2-29.2000106.3T63P61-T63 PolarHBondContact O-N 2.81Å; P61-T63 VanDerWaalsContact O-N 3.16Å
62E52.1Low56.8Low179 Ų179114.4 Ų114.484%0.83663%0.633SS**PPolyproline II helixtrans-53123.9176.3-122.6178.7165.100107R60 R64R60-E62 PolarHBondContact O-N 2.95Å; E62-R64 PolarHBondContact O-N 2.65Å
63T58.4Low58.9Low112 Ų112112.7 Ų112.769%0.68761%0.611SS**  trans-59.9100.9175.146.30000107.4P61 T65P61-T63 PolarHBondContact O-N 2.81Å; P61-T63 VanDerWaalsContact O-N 3.16Å; T63-T65 PolarHBondContact O-N 3.49Å; T63-T65 VanDerWaalsContact O-N 3.13Å
64R68.3Low60.1Low180 Ų180110.4 Ų110.468%0.67960%0.604SS**  trans-59.6119.1-179.9-70.9-177.2175.7169.3-2.7108.3E62 V69E62-R64 PolarHBondContact O-N 2.65Å; R64-V69 HydrophobicContact CB-CG2 3.83Å
65T80.1Confident62Low68 Ų68110.1 Ų110.142%0.41760%0.601SS.*  trans-74.3153.3-178.680.70000109.8T63 V67 D68 V69T63-T65 PolarHBondContact O-N 3.49Å; T63-T65 VanDerWaalsContact O-N 3.13Å; T65-V67 PolarHBondContact O-N 3.35Å; T65-V67 VanDerWaalsContact O-N 3.11Å; T65-D68 PolarHBondContact O-N 3.03Å; T65-D68 VanDerWaalsContact OG1-CG 3.26Å; T65-D68 PolarHBondContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; T65-V69 PolarHBondContact O-N 3.4Å
66V76Confident64.3Low32 Ų32108.9 Ų108.919%0.19459%0.587CS.*Hα-helixtrans-54.2-34.2178.1-174.40000111.5L70 R79 L86 L109V66-L70 HydrophobicContact CG1-CD1 4.05Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.18Å; V66-L70 PolarHBondContact O-N 3.22Å; V66-R79 HydrophobicContact CG1-CG 4.14Å; V66-L86 HydrophobicContact CG1-CD2 3.99Å; V66-L109 HydrophobicContact CB-CD1 3.94Å; V66-L109 HydrophobicContact CG1-CD1 4.29Å; V66-L109 HydrophobicContact CG2-CD1 3.3Å
67V76.3Confident66.7Low94 Ų94101.5 Ų101.557%0.5755%0.548SS*.Hα-helixtrans-68.7-45.3-175.7179.60000110.5T65 L70 A71T65-V67 PolarHBondContact O-N 3.35Å; T65-V67 VanDerWaalsContact O-N 3.11Å; V67-L70 PolarHBondContact O-N 3.13Å; V67-A71 PolarHBondContact O-N 3.42Å
68D74.6Confident69.3Low86 Ų8698.6 Ų98.646%0.4653%0.526SS..Hα-helixtrans-65.7-44.5-178-55.2-42.1000111.2T65 L70 A71 D72T65-D68 PolarHBondContact O-N 3.03Å; T65-D68 VanDerWaalsContact OG1-CG 3.26Å; T65-D68 PolarHBondContact OG1-N 3.09Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.31Å; D68-A71 WeakPolarHBondContact O-CB 3.46Å; D68-A71 PolarHBondContact O-N 3.13Å; D68-A71 VanDerWaalsContact O-N 3.13Å; D68-D72 PolarHBondContact O-N 3.34Å
69V75.8Confident71.9Confident11 Ų1194.1 Ų94.17%0.06751%0.509CS..Hα-helixtrans-66.9-35.8-179.4179.70000112.2R64 T65 A71 H73 L77 L86 V107 L109R64-V69 HydrophobicContact CB-CG2 3.83Å; T65-V69 PolarHBondContact O-N 3.4Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-H73 PolarHBondContact O-N 3.27Å; V69-H73 PolarHBondContact O-ND1 2.84Å; V69-L77 HydrophobicContact CG1-CD1 4.05Å; V69-L86 HydrophobicContact CB-CD1 4.25Å; V69-L86 HydrophobicContact CG1-CD1 3.89Å; V69-V107 HydrophobicContact CG1-CG1 4.3Å; V69-L109 HydrophobicContact CB-CD2 4.05Å; V69-L109 HydrophobicContact CG1-CD2 4.31Å; V69-L109 HydrophobicContact CG2-CD2 3.64Å
70L77.1Confident74.5Confident50 Ų5088.7 Ų88.726%0.26248%0.477SS..Hα-helixtrans-70-31.6174-100.264.8000112.2V66 V67 D68 H73 A74 L86V66-L70 HydrophobicContact CG1-CD1 4.05Å; V66-L70 WeakPolarHBondContact O-CB 3.32Å; V66-L70 WeakPolarHBondContact O-CD1 3.18Å; V66-L70 PolarHBondContact O-N 3.22Å; V67-L70 PolarHBondContact O-N 3.13Å; D68-L70 VanDerWaalsContact C-N 3.34Å; D68-L70 PolarHBondContact O-N 3.31Å; L70-H73 CarbonylContact O-C 3.38Å; L70-A74 WeakPolarHBondContact O-CA 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; L70-A74 VanDerWaalsContact O-N 3.09Å; L70-L86 HydrophobicContact CD1-CD1 3.3Å; L70-L86 HydrophobicContact CD1-CD2 3.86Å; L70-L86 HydrophobicContact CD1-CG 4.17Å
71A69.9Low77.1Confident69 Ų6982.4 Ų82.457%0.5746%0.459SS*.Hα-helixtrans-69.4-42.7176.400000111.3V67 D68 V69 H73V67-A71 PolarHBondContact O-N 3.42Å; D68-A71 WeakPolarHBondContact O-CB 3.46Å; D68-A71 PolarHBondContact O-N 3.13Å; D68-A71 VanDerWaalsContact O-N 3.13Å; V69-A71 VanDerWaalsContact C-N 3.34Å; A71-H73 VanDerWaalsContact C-N 3.26Å; A71-H73 PolarHBondContact O-N 3.16Å
72D70.3Confident79.2Confident131 Ų13179.3 Ų79.370%0.70144%0.44SS*.Hα-helixtrans-65.4-28.8178-71.7-16.4000113.1D68D68-D72 PolarHBondContact O-N 3.34Å
73H75.3Confident81.2Confident80 Ų8075.5 Ų75.537%0.3743%0.43SS..THydrogen-bonded Turntrans-123.845.3-178.5-57.981000111.6V69 L70 A71 G75 E76 L77V69-H73 PolarHBondContact O-N 3.27Å; V69-H73 PolarHBondContact O-ND1 2.84Å; L70-H73 CarbonylContact O-C 3.38Å; A71-H73 VanDerWaalsContact C-N 3.26Å; A71-H73 PolarHBondContact O-N 3.16Å; H73-G75 PolarHBondContact O-N 3.13Å; H73-G75 VanDerWaalsContact O-N 3.09Å; H73-E76 HydrophobicContact CB-CB 4.48Å; H73-E76 PolarHBondContact O-N 2.75Å; H73-L77 HydrophobicContact CB-CD1 3.91Å; H73-L77 HydrophobicContact CB-CG 4.09Å
74A69.3Low83Confident82 Ų8273.4 Ų73.468%0.67842%0.415SS*.THydrogen-bonded Turntrans-50.7117-172.800000112.3L70 E76L70-A74 WeakPolarHBondContact O-CA 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; L70-A74 VanDerWaalsContact O-N 3.09Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.32Å
75G76.4Confident84.3Confident68 Ų6864.9 Ų64.970%0.70138%0.383SS*.THydrogen-bonded Turntrans83.9-8176.400000116H73H73-G75 PolarHBondContact O-N 3.13Å; H73-G75 VanDerWaalsContact O-N 3.09Å
76E89.9Confident85.1Confident103 Ų10361.8 Ų61.848%0.48136%0.364SS..THydrogen-bonded Turntrans-89.6-27.9177.7-61.9-167.1169.200113H73 A74 S88 V89H73-E76 HydrophobicContact CB-CB 4.48Å; H73-E76 PolarHBondContact O-N 2.75Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.32Å; E76-S88 CarbonylContact O-C 3.59Å; E76-S88 WeakPolarHBondContact O-CA 3.4Å; E76-V89 PolarHBondContact O-N 3.27Å
77L94.3Very high86.2Confident15 Ų1560.2 Ų60.28%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-113.1144.1-176.3-60.5178.8000112.1V69 H73 L86 C87 V107V69-L77 HydrophobicContact CG1-CD1 4.05Å; H73-L77 HydrophobicContact CB-CD1 3.91Å; H73-L77 HydrophobicContact CB-CG 4.09Å; L77-L86 HydrophobicContact CD1-CD1 4.43Å; L77-C87 CarbonylContact C-O 3.56Å; L77-C87 VanDerWaalsContact CA-O 3.3Å; L77-C87 WeakPolarHBondContact CA-O 3.43Å; L77-V107 HydrophobicContact CD1-CG2 3.92Å; L77-V107 HydrophobicContact CD2-CG2 4.06Å
78V95.4Very high87.2Confident39 Ų3956.1 Ų56.124%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-126.1148.4176.264.50000110.4L86 C87 V89 Y177V78-L86 WeakPolarHBondContact O-CA 3.32Å; V78-C87 PolarHBondContact N-O 3.41Å; V78-C87 PolarHBondContact O-N 3.04Å; V78-V89 HydrophobicContact CB-CG2 3.98Å; V78-V89 HydrophobicContact CG1-CG2 4.32Å; V78-Y177 HydrophobicContact CG1-CD1 4.17Å; V78-Y177 HydrophobicContact CG1-CE1 3.54Å; V78-Y177 HydrophobicContact CG1-CE2 4.28Å
79R95.1Very high88.3Confident142 Ų14255.2 Ų55.254%0.53633%0.327SS..EExtended strand (participates in β ladder)trans-69.7138.8174.6-67.1-178.6178.7-176.6-5.1110.7V66 L86V66-R79 HydrophobicContact CG1-CG 4.14Å; R79-L86 HydrophobicContact CB-CD2 4.23Å; R79-L86 HydrophobicContact CG-CD2 3.7Å
80T97.1Very high89.3Confident18 Ų1855.2 Ų55.211%0.1133%0.327CS..  trans-86.8-179165.468.70000109.7S82 F85 C87 I165 A175T80-S82 PolarHBondContact O-N 3.09Å; T80-S82 PolarHBondContact OG1-N 3.42Å; T80-S82 PolarHBondContact OG1-O 3.19Å; T80-S82 VanDerWaalsContact OG1-O 3.06Å; T80-F85 PolarHBondContact N-O 2.83Å; T80-F85 PolarHBondContact OG1-O 2.8Å; T80-C87 HydrophobicContact CG2-CB 4.39Å; T80-I165 HydrophobicContact CG2-CD1 4.14Å; T80-A175 HydrophobicContact CG2-CB 4.16Å
81D96.9Very high90.3Very high88 Ų8854.4 Ų54.447%0.47133%0.325SS..SBendtrans-65.6-19.8168.369.4-10.4000113.1A175 T176D81-A175 WeakPolarHBondContact OD1-CA 3.3Å; D81-T176 VanDerWaalsContact CG-CB 3.5Å; D81-T176 VanDerWaalsContact CG-N 3.31Å; D81-T176 PolarHBondContact N-O 3.11Å; D81-T176 PolarHBondContact OD1-N 3.28Å; D81-T176 WeakPolarHBondContact OD2-CB 3.21Å; D81-T176 PolarHBondContact OD2-OG1 2.63Å
82S95.5Very high91.7Very high19 Ų1956 Ų5613%0.13333%0.331CS..SBendtrans-91.6130.5178.8-176.90000110.1T80 N84 F85T80-S82 PolarHBondContact O-N 3.09Å; T80-S82 PolarHBondContact OG1-N 3.42Å; T80-S82 PolarHBondContact OG1-O 3.19Å; T80-S82 VanDerWaalsContact OG1-O 3.06Å; S82-N84 PolarHBondContact O-N 2.9Å; S82-F85 PolarHBondContact O-N 3.02Å
83P93.9Very high93Very high98 Ų9851.6 Ų51.664%0.63631%0.307SS*.THydrogen-bonded Turntrans-68.7-15.4179.729.6-35.9000113
84N94.9Very high94.1Very high68 Ų6849.7 Ų49.736%0.36430%0.296SS..THydrogen-bonded Turntrans-92.9-9.9-174.8-61.6-29.9000113.3S82 L109S82-N84 PolarHBondContact O-N 2.9Å; N84-L109 PolarHBondContact O-N 3.28Å
85F96.8Very high95.5Very high2 Ų252 Ų521%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-131.5135.4-173.3-62.2-73.6000112.6T80 S82 V106 V107 A108 V112 V167 Q173 A175T80-F85 PolarHBondContact N-O 2.83Å; T80-F85 PolarHBondContact OG1-O 2.8Å; S82-F85 PolarHBondContact O-N 3.02Å; F85-V106 HydrophobicContact CD1-CG1 4.24Å; F85-V107 WeakPolarHBondContact CA-O 3.38Å; F85-A108 HydrophobicContact CD1-CB 4.08Å; F85-A108 HydrophobicContact CE1-CB 3.78Å; F85-V112 HydrophobicContact CE1-CG2 4.14Å; F85-V112 HydrophobicContact CZ-CG2 4.29Å; F85-V167 HydrophobicContact CD1-CG2 4.16Å; F85-V167 HydrophobicContact CE1-CB 4.27Å; F85-V167 HydrophobicContact CE1-CG1 4.24Å; F85-V167 HydrophobicContact CE1-CG2 3.65Å; F85-V167 HydrophobicContact CE2-CG2 4.41Å; F85-V167 HydrophobicContact CZ-CB 4.04Å; F85-V167 HydrophobicContact CZ-CG1 4.19Å; F85-V167 HydrophobicContact CZ-CG2 3.8Å; F85-Q173 HydrophobicContact CE2-CB 3.82Å; F85-Q173 HydrophobicContact CZ-CB 4.16Å; F85-A175 HydrophobicContact CB-CB 4.03Å; F85-A175 HydrophobicContact CD2-CB 4.13Å; F85-A175 HydrophobicContact CG-CB 4.38Å
86L97.3Very high96.6Very high2 Ų250.1 Ų50.11%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-115.6157.5169-55.3173.1000108.7V66 V69 L70 L77 V78 R79 V106 V107 L109V66-L86 HydrophobicContact CG1-CD2 3.99Å; V69-L86 HydrophobicContact CB-CD1 4.25Å; V69-L86 HydrophobicContact CG1-CD1 3.89Å; L70-L86 HydrophobicContact CD1-CD1 3.3Å; L70-L86 HydrophobicContact CD1-CD2 3.86Å; L70-L86 HydrophobicContact CD1-CG 4.17Å; L77-L86 HydrophobicContact CD1-CD1 4.43Å; V78-L86 WeakPolarHBondContact O-CA 3.32Å; R79-L86 HydrophobicContact CB-CD2 4.23Å; R79-L86 HydrophobicContact CG-CD2 3.7Å; L86-V106 CarbonylContact O-C 3.51Å; L86-V106 WeakPolarHBondContact O-CA 3.1Å; L86-V107 HydrophobicContact CB-CB 4.29Å; L86-V107 PolarHBondContact N-O 2.83Å; L86-V107 PolarHBondContact O-N 2.67Å; L86-L109 HydrophobicContact CD1-CD1 4.24Å; L86-L109 HydrophobicContact CD1-CD2 4.01Å; L86-L109 HydrophobicContact CD1-CG 4.4Å; L86-L109 HydrophobicContact CG-CD1 4.16Å; L86-L109 HydrophobicContact CG-CG 4.42Å
87C97.4Very high97Very high0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-140.8166173.165.30000111.6L77 V78 T80 F104 K105 V106 I165 Y177L77-C87 CarbonylContact C-O 3.56Å; L77-C87 VanDerWaalsContact CA-O 3.3Å; L77-C87 WeakPolarHBondContact CA-O 3.43Å; V78-C87 PolarHBondContact N-O 3.41Å; V78-C87 PolarHBondContact O-N 3.04Å; T80-C87 HydrophobicContact CG2-CB 4.39Å; C87-F104 HydrophobicContact CB-CE2 3.96Å; C87-F104 HydrophobicContact CB-CZ 3.71Å; C87-K105 CarbonylContact C-O 3.53Å; C87-K105 WeakPolarHBondContact CA-O 3.43Å; C87-K105 WeakPolarHBondContact CB-O 3.45Å; C87-V106 HydrophobicContact CB-CG2 4.3Å; C87-I165 HydrophobicContact CB-CD1 4.03Å; C87-Y177 WeakPolarHBondContact SG-CD1 3.41Å
88S97.6Very high97.2Very high7 Ų752.9 Ų52.95%0.04928%0.276CS..EExtended strand (participates in β ladder)trans-63.4141.1176.2-61.30000111.8E76 L90 K105E76-S88 CarbonylContact O-C 3.59Å; E76-S88 WeakPolarHBondContact O-CA 3.4Å; S88-L90 PolarHBondContact O-N 2.98Å; S88-K105 PolarHBondContact N-O 2.89Å; S88-K105 WeakPolarHBondContact OG-CB 3.4Å; S88-K105 PolarHBondContact OG-N 3.32Å
89V97.5Very high97.3Very high67 Ų6754 Ų5441%0.40628%0.283SS..PPolyproline II helixtrans-62.1129.8168.9179.70000109E76 V78E76-V89 PolarHBondContact O-N 3.27Å; V78-V89 HydrophobicContact CB-CG2 3.98Å; V78-V89 HydrophobicContact CG1-CG2 4.32Å
90L98.3Very high97.5Very high12 Ų1247.8 Ų47.86%0.06326%0.261CS..PPolyproline II helixtrans-98.2150.9175.5-71.9175.2000111S88 S92 L100 F104 F151 L163 A180 I181S88-L90 PolarHBondContact O-N 2.98Å; L90-S92 PolarHBondContact O-N 3.3Å; L90-L100 HydrophobicContact CD2-CD1 3.64Å; L90-L100 HydrophobicContact CD2-CD2 4.13Å; L90-F104 HydrophobicContact CD1-CD2 4.3Å; L90-F104 HydrophobicContact CD1-CE2 4.09Å; L90-F104 HydrophobicContact CD2-CD2 3.72Å; L90-F104 HydrophobicContact CD2-CE2 4.29Å; L90-F104 HydrophobicContact CG-CD2 4.02Å; L90-F104 HydrophobicContact CG-CE2 4.08Å; L90-F151 HydrophobicContact CD1-CE2 4.37Å; L90-F151 HydrophobicContact CD1-CZ 3.99Å; L90-L163 HydrophobicContact CD1-CD1 3.48Å; L90-L163 VanDerWaalsContact CD1-CD1 3.48Å; L90-A180 HydrophobicContact CD1-CB 4.27Å; L90-I181 HydrophobicContact CB-CB 4.41Å; L90-I181 HydrophobicContact CB-CD1 4.42Å; L90-I181 HydrophobicContact CD1-CB 4.43Å; L90-I181 HydrophobicContact CD1-CG2 4.25Å
91P97.9Very high97.5Very high33 Ų3351 Ų5121%0.21428%0.282CS..PPolyproline II helixtrans-56.6137.6168.7-22.833.4000110.7H93 W94 P101 I181P91-H93 PolarHBondContact O-N 2.66Å; P91-W94 HydrophobicContact CB-CE3 3.92Å; P91-W94 HydrophobicContact CG-CD2 4.37Å; P91-W94 HydrophobicContact CG-CE3 3.95Å; P91-W94 HydrophobicContact CG-CZ3 4.37Å; P91-P101 HydrophobicContact CG-CG 3.65Å; P91-I181 VanDerWaalsContact O-CG1 3.28Å; P91-I181 WeakPolarHBondContact O-CG1 3.35Å
92S98Very high97.4Very high101 Ų10150.9 Ų50.971%0.70628%0.284SS*.SBendtrans-62.7-28.4179.461.40000113L90 K182L90-S92 PolarHBondContact O-N 3.3Å; S92-K182 WeakPolarHBondContact O-CB 3.48Å; S92-K182 PolarHBondContact O-N 3.04Å
93H98.6Very high97.4Very high40 Ų4051.4 Ų51.419%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-140.5131.6176.3-176.8-170.8000109.5P91 K182 T184 G187 P188P91-H93 PolarHBondContact O-N 2.66Å; H93-K182 CarbonylContact C-O 3.6Å; H93-K182 VanDerWaalsContact CA-O 3.28Å; H93-K182 WeakPolarHBondContact CA-O 3.32Å; H93-K182 VanDerWaalsContact CD2-CE 3.48Å; H93-K182 WeakPolarHBondContact CD2-CE 3.44Å; H93-K182 PolarHBondContact CD2-O 2.88Å; H93-K182 WeakPolarHBondContact ND1-CE 3.38Å; H93-T184 PolarHBondContact NE2-OG1 3.28Å; H93-G187 PolarHBondContact CE1-O 2.8Å; H93-G187 VanDerWaalsContact NE2-C 3.33Å; H93-G187 WeakPolarHBondContact NE2-CA 3.48Å; H93-G187 PolarHBondContact NE2-O 2.8Å; H93-P188 HydrophobicContact CB-CG 4.15Å; H93-P188 VanDerWaalsContact O-CD 3.23Å; H93-P188 WeakPolarHBondContact O-CD 3.39Å; H93-P188 WeakPolarHBondContact O-CG 2.8Å
94W98.6Very high97.6Very high39 Ų3946.8 Ų46.815%0.14826%0.259CS..EExtended strand (participates in β ladder)trans-139.8162178.9-156.2-118.7000113.7P91 K98 T99 L100 P101 I181 K182 T184 G187P91-W94 HydrophobicContact CB-CE3 3.92Å; P91-W94 HydrophobicContact CG-CD2 4.37Å; P91-W94 HydrophobicContact CG-CE3 3.95Å; P91-W94 HydrophobicContact CG-CZ3 4.37Å; W94-K98 HydrophobicContact CH2-CD 4.47Å; W94-K98 HydrophobicContact CZ2-CD 3.75Å; W94-K98 HydrophobicContact CZ2-CG 4.1Å; W94-K98 PolarHBondContact NE1-O 2.78Å; W94-T99 WeakPolarHBondContact CZ2-O 3.17Å; W94-T99 PolarHBondContact NE1-O 3.44Å; W94-L100 HydrophobicContact CG-CD2 4.32Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.18Å; W94-P101 HydrophobicContact CZ3-CG 4.37Å; W94-I181 HydrophobicContact CB-CD1 3.72Å; W94-I181 HydrophobicContact CB-CG1 4.28Å; W94-K182 PolarHBondContact N-O 3Å; W94-T184 PolarHBondContact O-N 2.91Å; W94-T184 VanDerWaalsContact O-N 3.1Å; W94-G187 VanDerWaalsContact C-CA 3.47Å; W94-G187 WeakPolarHBondContact O-CA 3.45Å
95R98.6Very high97.8Very high131 Ų13146.4 Ų46.449%0.49425%0.254SS..EExtended strand (participates in β ladder)trans-83.1132.3175.7178.7161.6-175.5-163.4-5.2110K98 T184 V185 D186R95-K98 HydrophobicContact CB-CB 3.94Å; R95-K98 HydrophobicContact CB-CD 4Å; R95-K98 HydrophobicContact CG-CB 4.15Å; R95-K98 WeakPolarHBondContact O-CB 3.41Å; R95-K98 PolarHBondContact O-N 3.18Å; R95-T184 CarbonylContact C-O 3.58Å; R95-T184 WeakPolarHBondContact CA-O 3.37Å; R95-V185 WeakPolarHBondContact CD-O 3.29Å; R95-V185 VanDerWaalsContact CG-O 3.27Å; R95-V185 WeakPolarHBondContact CG-O 3.39Å; R95-V185 PolarHBondContact NE-O 3.42Å; R95-V185 VanDerWaalsContact NE-O 3.12Å; R95-D186 WeakPolarHBondContact CD-O 3.44Å
96C98.4Very high97.8Very high29 Ų2946.3 Ų46.320%0.19625%0.254CS..THydrogen-bonded Turntrans-60.1143.8176.465.10000111.5K98 F151 V183 T184C96-K98 PolarHBondContact O-N 3.39Å; C96-F151 CarbonylContact C-O 3.57Å; C96-F151 WeakPolarHBondContact CA-O 3.35Å; C96-V183 HydrophobicContact CB-CG1 3.74Å; C96-T184 PolarHBondContact N-O 3.27Å
97N98.6Very high97.8Very high70 Ų7047 Ų4737%0.37426%0.258SS..THydrogen-bonded Turntrans55.614.7-178.9-161.321.4000115.1R133 R150 F151 V152N97-R133 WeakPolarHBondContact OD1-CD 3.49Å; N97-R133 PolarHBondContact OD1-NH1 2.87Å; N97-R150 WeakPolarHBondContact O-CD 3.45Å; N97-R150 PolarHBondContact O-NH1 3.2Å; N97-F151 PolarHBondContact N-O 3.3Å; N97-V152 HydrophobicContact CB-CG2 4.42Å
98K98.4Very high97.8Very high105 Ų10547.2 Ų47.246%0.45726%0.26SS..PPolyproline II helixtrans-93.4135.9171.8-171-178.6172.774.40109.4W94 R95 C96 L100W94-K98 HydrophobicContact CH2-CD 4.47Å; W94-K98 HydrophobicContact CZ2-CD 3.75Å; W94-K98 HydrophobicContact CZ2-CG 4.1Å; W94-K98 PolarHBondContact NE1-O 2.78Å; R95-K98 HydrophobicContact CB-CB 3.94Å; R95-K98 HydrophobicContact CB-CD 4Å; R95-K98 HydrophobicContact CG-CB 4.15Å; R95-K98 WeakPolarHBondContact O-CB 3.41Å; R95-K98 PolarHBondContact O-N 3.18Å; C96-K98 PolarHBondContact O-N 3.39Å; K98-L100 PolarHBondContact O-N 2.81Å
99T98.4Very high97.6Very high62 Ų6248 Ų4838%0.3826%0.263SS..PPolyproline II helixtrans-50.4135.5170-65.10000110.7W94 D148 R150W94-T99 WeakPolarHBondContact CZ2-O 3.17Å; W94-T99 PolarHBondContact NE1-O 3.44Å; T99-D148 WeakPolarHBondContact CA-OD1 3.38Å; T99-D148 WeakPolarHBondContact CB-OD1 3.43Å; T99-D148 WeakPolarHBondContact CG2-OD1 3.38Å; T99-D148 PolarHBondContact OG1-OD1 3.49Å; T99-R150 VanDerWaalsContact OG1-CZ 3.26Å; T99-R150 PolarHBondContact OG1-NE 2.91Å; T99-R150 PolarHBondContact OG1-NH2 2.91Å; T99-R150 VanDerWaalsContact OG1-NH2 3.11Å
100L98.4Very high97.3Very high13 Ų1346.3 Ų46.37%0.06826%0.26CS..PPolyproline II helixtrans-65.7150.5174.3-67.6171.1000110.7L90 W94 K98 V102 F104 L149 F151 I181L90-L100 HydrophobicContact CD2-CD1 3.64Å; L90-L100 HydrophobicContact CD2-CD2 4.13Å; W94-L100 HydrophobicContact CG-CD2 4.32Å; K98-L100 PolarHBondContact O-N 2.81Å; L100-V102 VanDerWaalsContact CB-O 3.32Å; L100-V102 WeakPolarHBondContact CB-O 3.32Å; L100-V102 PolarHBondContact O-N 3.06Å; L100-F104 HydrophobicContact CD1-CB 4.24Å; L100-L149 HydrophobicContact CD1-CB 4.34Å; L100-F151 HydrophobicContact CD1-CE2 4.24Å; L100-F151 HydrophobicContact CD2-CD2 4.37Å; L100-F151 HydrophobicContact CD2-CE2 4.18Å; L100-I181 HydrophobicContact CD2-CD1 4.3Å
101P96.8Very high97Very high86 Ų8652.5 Ų52.556%0.55829%0.293SS*.SBendtrans-65-30178.827.2-33.5000112.1P91 W94P91-P101 HydrophobicContact CG-CG 3.65Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.18Å; W94-P101 HydrophobicContact CZ3-CG 4.37Å
102V95.6Very high96.9Very high85 Ų8551.5 Ų51.552%0.51529%0.287SS..SBendtrans-125.9140.6176.9-1770000108.4L100 F104L100-V102 VanDerWaalsContact CB-O 3.32Å; L100-V102 WeakPolarHBondContact CB-O 3.32Å; L100-V102 PolarHBondContact O-N 3.06Å; V102-F104 PolarHBondContact O-N 3.33Å
103A96.1Very high96.9Very high29 Ų2950.8 Ų50.824%0.2428%0.279CS..  trans-63.6126.7174.900000110.1
104F98.4Very high96.8Very high1 Ų153 Ų530%0.00429%0.292CS..  trans-68.6132.3177.5-172.7-106.2000110.5C87 L90 L100 V102 V106 V120 F146 L149 L163 I165C87-F104 HydrophobicContact CB-CE2 3.96Å; C87-F104 HydrophobicContact CB-CZ 3.71Å; L90-F104 HydrophobicContact CD1-CD2 4.3Å; L90-F104 HydrophobicContact CD1-CE2 4.09Å; L90-F104 HydrophobicContact CD2-CD2 3.72Å; L90-F104 HydrophobicContact CD2-CE2 4.29Å; L90-F104 HydrophobicContact CG-CD2 4.02Å; L90-F104 HydrophobicContact CG-CE2 4.08Å; L100-F104 HydrophobicContact CD1-CB 4.24Å; V102-F104 PolarHBondContact O-N 3.33Å; F104-V106 HydrophobicContact CE1-CG2 3.77Å; F104-V106 HydrophobicContact CZ-CG2 4.29Å; F104-V120 HydrophobicContact CD1-CG2 4.38Å; F104-V120 HydrophobicContact CE1-CG2 3.78Å; F104-F146 HydrophobicContact CB-CB 4.36Å; F104-F146 AromaticContact CD1-CD2 3.55Å; F104-F146 HydrophobicContact CD1-CD2 3.55Å; F104-F146 AromaticContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CG 4Å; F104-F146 HydrophobicContact CE1-CD2 4.23Å; F104-F146 HydrophobicContact CE1-CE2 4.09Å; F104-F146 WeakPolarHBondContact O-CB 3.46Å; F104-F146 WeakPolarHBondContact O-CD2 3.48Å; F104-F146 PolarHBondContact O-N 3.34Å; F104-L149 HydrophobicContact CB-CB 4.36Å; F104-L149 HydrophobicContact CB-CD2 3.83Å; F104-L149 HydrophobicContact CD1-CD2 3.63Å; F104-L149 HydrophobicContact CE1-CD2 4.37Å; F104-L149 HydrophobicContact CG-CD2 3.79Å; F104-L163 HydrophobicContact CE2-CD1 4.49Å; F104-L163 HydrophobicContact CZ-CD1 4.29Å; F104-I165 HydrophobicContact CZ-CD1 4.27Å
105K97.8Very high96.8Very high60 Ų6053.8 Ų53.826%0.26131%0.313SS..EExtended strand (participates in β ladder)trans-127.6148.6177.6-58.4171.8-170.8168.60109.5C87 S88 V143 A144 R145C87-K105 CarbonylContact C-O 3.53Å; C87-K105 WeakPolarHBondContact CA-O 3.43Å; C87-K105 WeakPolarHBondContact CB-O 3.45Å; S88-K105 PolarHBondContact N-O 2.89Å; S88-K105 WeakPolarHBondContact OG-CB 3.4Å; S88-K105 PolarHBondContact OG-N 3.32Å; K105-V143 HydrophobicContact CB-CG1 4.1Å; K105-V143 HydrophobicContact CD-CG1 4.28Å; K105-V143 HydrophobicContact CG-CG1 4.35Å; K105-A144 CarbonylContact C-O 3.55Å; K105-A144 VanDerWaalsContact CA-O 3.32Å; K105-A144 WeakPolarHBondContact CA-O 3.32Å; K105-R145 HydrophobicContact CG-CB 4.43Å; K105-R145 HydrophobicContact CG-CG 4.23Å
106V98.1Very high96.8Very high0 Ų048.3 Ų48.30%029%0.294CS..EExtended strand (participates in β ladder)trans-117.3126.7165.9175.40000107.2F85 L86 C87 F104 V118 V143 A144 F146 I165F85-V106 HydrophobicContact CD1-CG1 4.24Å; L86-V106 CarbonylContact O-C 3.51Å; L86-V106 WeakPolarHBondContact O-CA 3.1Å; C87-V106 HydrophobicContact CB-CG2 4.3Å; F104-V106 HydrophobicContact CE1-CG2 3.77Å; F104-V106 HydrophobicContact CZ-CG2 4.29Å; V106-V118 HydrophobicContact CB-CG1 4.44Å; V106-V118 HydrophobicContact CG1-CG1 4.49Å; V106-V118 HydrophobicContact CG2-CG1 4.38Å; V106-V143 CarbonylContact O-C 3.58Å; V106-V143 WeakPolarHBondContact O-CA 3.21Å; V106-A144 HydrophobicContact CB-CB 4.38Å; V106-A144 PolarHBondContact N-O 3.23Å; V106-A144 PolarHBondContact O-N 2.9Å; V106-F146 HydrophobicContact CB-CE2 4.4Å; V106-F146 HydrophobicContact CG2-CE2 3.74Å; V106-F146 HydrophobicContact CG2-CZ 4.4Å; V106-I165 HydrophobicContact CG1-CG2 4.07Å; V106-I165 HydrophobicContact CG2-CD1 4.17Å; V106-I165 HydrophobicContact CG2-CG2 3.77Å
107V97.2Very high96.8Very high16 Ų1650.4 Ų50.410%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-112.1126.6-178.3-176.20000108.4V69 L77 F85 L86 A142 V143V69-V107 HydrophobicContact CG1-CG1 4.3Å; L77-V107 HydrophobicContact CD1-CG2 3.92Å; L77-V107 HydrophobicContact CD2-CG2 4.06Å; F85-V107 WeakPolarHBondContact CA-O 3.38Å; L86-V107 HydrophobicContact CB-CB 4.29Å; L86-V107 PolarHBondContact N-O 2.83Å; L86-V107 PolarHBondContact O-N 2.67Å; V107-A142 CarbonylContact C-O 3.39Å; V107-A142 WeakPolarHBondContact CA-O 3.48Å; V107-V143 HydrophobicContact CG1-CG2 4.31Å; V107-V143 HydrophobicContact CG2-CG1 4.34Å; V107-V143 HydrophobicContact CG2-CG2 4.14Å
108A96.4Very high96.8Very high6 Ų647.1 Ų47.15%0.0529%0.285CS..EExtended strand (participates in β ladder)trans-90.7134.9172.500000109.9F85 V112 M139 A142F85-A108 HydrophobicContact CD1-CB 4.08Å; F85-A108 HydrophobicContact CE1-CB 3.78Å; A108-V112 HydrophobicContact CB-CB 4.07Å; A108-V112 HydrophobicContact CB-CG2 3.65Å; A108-M139 HydrophobicContact CB-CE 4.03Å; A108-M139 HydrophobicContact CB-SD 4.49Å; A108-A142 HydrophobicContact CB-CB 4.33Å; A108-A142 PolarHBondContact N-O 3.03Å
109L93.8Very high96.8Very high22 Ų2243.3 Ų43.312%0.11527%0.271CS..SBendtrans-95.7-25172.8-59.6177.6000111.9V66 V69 N84 L86V66-L109 HydrophobicContact CB-CD1 3.94Å; V66-L109 HydrophobicContact CG1-CD1 4.29Å; V66-L109 HydrophobicContact CG2-CD1 3.3Å; V69-L109 HydrophobicContact CB-CD2 4.05Å; V69-L109 HydrophobicContact CG1-CD2 4.31Å; V69-L109 HydrophobicContact CG2-CD2 3.64Å; N84-L109 PolarHBondContact O-N 3.28Å; L86-L109 HydrophobicContact CD1-CD1 4.24Å; L86-L109 HydrophobicContact CD1-CD2 4.01Å; L86-L109 HydrophobicContact CD1-CG 4.4Å; L86-L109 HydrophobicContact CG-CD1 4.16Å; L86-L109 HydrophobicContact CG-CG 4.42Å
110G89.9Confident96.8Very high32 Ų3240.6 Ų40.633%0.3325%0.254SS..SBendtrans-88.2173.5170.300000112.7V112G110-V112 PolarHBondContact O-N 3.48Å
111D92Very high96.9Very high142 Ų14244.1 Ų44.176%0.75927%0.271SS*.  trans-72.397.7177.7-69.5-34.9000110.8
112V96.8Very high97Very high13 Ų1340.1 Ų40.18%0.07925%0.246CC..  trans-110.4122.1170.2-178.90000108.3F85 A108 G110 T116 M139 V167 T169F85-V112 HydrophobicContact CE1-CG2 4.14Å; F85-V112 HydrophobicContact CZ-CG2 4.29Å; A108-V112 HydrophobicContact CB-CB 4.07Å; A108-V112 HydrophobicContact CB-CG2 3.65Å; G110-V112 PolarHBondContact O-N 3.48Å; V112-T116 HydrophobicContact CG1-CG2 3.96Å; V112-M139 HydrophobicContact CB-CE 4.46Å; V112-M139 HydrophobicContact CB-CG 4.31Å; V112-M139 HydrophobicContact CG1-CB 4.35Å; V112-M139 HydrophobicContact CG1-CE 4.09Å; V112-M139 HydrophobicContact CG1-CG 3.83Å; V112-V167 HydrophobicContact CG1-CG1 4.02Å; V112-T169 HydrophobicContact CG1-CG2 3.97Å; V112-T169 HydrophobicContact CG2-CG2 4.42Å
113P97Very high97.1Very high85 Ų8536.8 Ų36.855%0.55223%0.228SC*.  trans-67.7146.3-177.725.9-30.9000111.6T116P113-T116 WeakPolarHBondContact CG-OG1 3.34Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.39Å; P113-T116 PolarHBondContact O-N 3.38Å; P113-T116 PolarHBondContact O-OG1 3.11Å
114D97.7Very high97.2Very high86 Ų8636.6 Ų36.646%0.4622%0.223SC..THydrogen-bonded Turntrans-59.5146.1172.1-78.712.4000111.1T116 M139 K140 N141D114-T116 VanDerWaalsContact C-N 3.29Å; D114-M139 WeakPolarHBondContact CA-O 3.46Å; D114-K140 WeakPolarHBondContact OD1-CA 3.44Å; D114-N141 PolarHBondContact OD1-N 2.69Å; D114-N141 PolarHBondContact OD2-N 2.9Å
115G98.2Very high97.2Very high56 Ų5644.1 Ų44.158%0.57726%0.263SS*.THydrogen-bonded Turntrans89.1-12-173.600000114L117 V138 M139G115-L117 PolarHBondContact O-N 3.46Å; G115-V138 VanDerWaalsContact CA-CG1 3.45Å; G115-M139 PolarHBondContact N-O 2.9Å
116T98.6Very high97.1Very high16 Ų1646.4 Ų46.410%0.09828%0.275CS..  trans-61.4127.4176.2-58.60000110.7V112 P113 D114 M139 V167 T169V112-T116 HydrophobicContact CG1-CG2 3.96Å; P113-T116 WeakPolarHBondContact CG-OG1 3.34Å; P113-T116 VanDerWaalsContact O-CB 3.32Å; P113-T116 WeakPolarHBondContact O-CB 3.39Å; P113-T116 PolarHBondContact O-N 3.38Å; P113-T116 PolarHBondContact O-OG1 3.11Å; D114-T116 VanDerWaalsContact C-N 3.29Å; T116-M139 WeakPolarHBondContact O-CB 3.31Å; T116-M139 PolarHBondContact O-N 2.88Å; T116-V167 HydrophobicContact CG2-CG1 3.86Å; T116-T169 HydrophobicContact CG2-CG2 4.12Å
117L98.7Very high97.1Very high74 Ų7448.6 Ų48.639%0.38729%0.287SS..EExtended strand (participates in β ladder)trans-70.3141.5175.8-172.168.6000110.1G115 T119 F168G115-L117 PolarHBondContact O-N 3.46Å; L117-T119 HydrophobicContact CD2-CG2 4.26Å; L117-T119 HydrophobicContact CG-CG2 4.3Å; L117-F168 HydrophobicContact CB-CB 4.26Å; L117-F168 HydrophobicContact CB-CD2 4.04Å; L117-F168 HydrophobicContact CB-CG 4.38Å; L117-F168 HydrophobicContact CD2-CD2 4.18Å; L117-F168 HydrophobicContact CD2-CE2 4.31Å; L117-F168 HydrophobicContact CG-CD2 4.13Å; L117-F168 WeakPolarHBondContact O-CD2 3.06Å; L117-F168 PolarHBondContact O-N 3.12Å
118V98.8Very high97.1Very high0 Ų058.1 Ų58.10%032%0.322CS..EExtended strand (participates in β ladder)trans-128.1131.8170.8-173.20000108.5V106 S136 A137 M139 A144 F146 I165 T166 V167V106-V118 HydrophobicContact CB-CG1 4.44Å; V106-V118 HydrophobicContact CG1-CG1 4.49Å; V106-V118 HydrophobicContact CG2-CG1 4.38Å; V118-S136 CarbonylContact O-C 3.52Å; V118-S136 WeakPolarHBondContact O-CA 3.3Å; V118-A137 PolarHBondContact N-O 3.21Å; V118-A137 PolarHBondContact O-N 3.05Å; V118-M139 HydrophobicContact CG2-CE 3.88Å; V118-A144 HydrophobicContact CB-CB 3.91Å; V118-A144 HydrophobicContact CG1-CB 4.44Å; V118-A144 HydrophobicContact CG2-CB 3.55Å; V118-F146 HydrophobicContact CB-CZ 4.3Å; V118-F146 HydrophobicContact CG1-CE2 4.41Å; V118-F146 HydrophobicContact CG1-CZ 3.93Å; V118-I165 HydrophobicContact CG1-CG2 3.79Å; V118-T166 CarbonylContact C-O 3.57Å; V118-T166 VanDerWaalsContact CA-O 3.3Å; V118-T166 WeakPolarHBondContact CA-O 3.46Å; V118-V167 HydrophobicContact CG1-CG2 4.05Å; V118-V167 HydrophobicContact CG2-CG1 4.24Å; V118-V167 HydrophobicContact CG2-CG2 4.15Å
119T98.8Very high97.2Very high25 Ų2561.2 Ų61.215%0.15334%0.344CS..EExtended strand (participates in β ladder)trans-122.9157.7174.265.50000111.6L117 A135 I165 T166 F168L117-T119 HydrophobicContact CD2-CG2 4.26Å; L117-T119 HydrophobicContact CG-CG2 4.3Å; T119-A135 CarbonylContact C-O 3.54Å; T119-A135 VanDerWaalsContact CA-O 3.25Å; T119-A135 WeakPolarHBondContact CA-O 3.46Å; T119-I165 WeakPolarHBondContact O-CA 3.47Å; T119-T166 PolarHBondContact N-O 2.83Å; T119-T166 PolarHBondContact O-N 3.37Å; T119-F168 HydrophobicContact CG2-CE2 3.64Å; T119-F168 HydrophobicContact CG2-CZ 4.3Å; T119-F168 WeakPolarHBondContact OG1-CE2 3.44Å
120V98.8Very high97.4Very high5 Ų560.5 Ų60.53%0.0334%0.341CS..EExtended strand (participates in β ladder)trans-122.8132.8174.8178.60000108.3F104 L132 A135 F146 L163 T164 I165F104-V120 HydrophobicContact CD1-CG2 4.38Å; F104-V120 HydrophobicContact CE1-CG2 3.78Å; V120-L132 HydrophobicContact CG1-CD1 4.22Å; V120-L132 WeakPolarHBondContact O-CD1 3.1Å; V120-A135 PolarHBondContact N-O 2.97Å; V120-F146 HydrophobicContact CB-CE1 4.39Å; V120-F146 HydrophobicContact CG2-CD1 4.43Å; V120-F146 HydrophobicContact CG2-CE1 3.59Å; V120-F146 HydrophobicContact CG2-CE2 4.23Å; V120-F146 HydrophobicContact CG2-CZ 3.47Å; V120-F146 VanDerWaalsContact CG2-CZ 3.47Å; V120-L163 HydrophobicContact CG1-CB 4.25Å; V120-L163 HydrophobicContact CG1-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD2 4.34Å; V120-T164 CarbonylContact C-O 3.52Å; V120-T164 WeakPolarHBondContact CA-O 3.02Å; V120-I165 HydrophobicContact CG2-CG1 4.33Å
121M98.8Very high97.8Very high88 Ų8864.9 Ų64.943%0.43335%0.353SS..EExtended strand (participates in β ladder)trans-113.7152.5163.9-61.5-175.3-66.100108.8L163 T164M121-L163 CarbonylContact O-C 3.58Å; M121-L163 VanDerWaalsContact O-CA 3.23Å; M121-L163 WeakPolarHBondContact O-CA 3.23Å; M121-T164 HydrophobicContact CE-CG2 4.05Å; M121-T164 PolarHBondContact N-O 3.1Å; M121-T164 PolarHBondContact O-N 3.45Å
122A98.8Very high98.2Very high2 Ų259.6 Ų59.62%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-128.2132.4175.800000108.9A130 L132 F151 F161 T162 L163A122-A130 HydrophobicContact CB-CB 4.29Å; A122-A130 WeakPolarHBondContact O-CB 3.23Å; A122-A130 PolarHBondContact O-N 3.25Å; A122-L132 HydrophobicContact CB-CD1 4.07Å; A122-L132 HydrophobicContact CB-CD2 3.98Å; A122-L132 HydrophobicContact CB-CG 4.37Å; A122-F151 HydrophobicContact CB-CD1 4.27Å; A122-F151 HydrophobicContact CB-CE1 4.03Å; A122-F161 HydrophobicContact CB-CB 4.13Å; A122-F161 HydrophobicContact CB-CD1 4.49Å; A122-F161 HydrophobicContact CB-CD2 4.16Å; A122-F161 HydrophobicContact CB-CG 4.04Å; A122-T162 WeakPolarHBondContact CA-O 3.33Å; A122-L163 HydrophobicContact CB-CD2 3.55Å
123G98.6Very high98.2Very high14 Ų1463.8 Ų63.814%0.14434%0.339CS..EExtended strand (participates in β ladder)trans-158.7159.6-177.500000113.5N127 Y128 T162G123-N127 CarbonylContact C-O 3.18Å; G123-N127 VanDerWaalsContact CA-O 3.29Å; G123-N127 WeakPolarHBondContact CA-O 3.28Å; G123-Y128 WeakPolarHBondContact CA-O 3.46Å; G123-T162 PolarHBondContact N-O 2.83Å; G123-T162 PolarHBondContact O-N 3Å
124N98.5Very high98.3Very high26 Ų2663.2 Ų63.214%0.13933%0.331CS..  trans-161.5-170.1168.366.816.7000110.3E126 N127 Y128 S155 S160 F161N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 PolarHBondContact OD1-N 3.09Å; N124-N127 PolarHBondContact N-O 2.8Å; N124-N127 CarbonylContact O-C 3.01Å; N124-N127 PolarHBondContact O-N 2.84Å; N124-N127 PolarHBondContact OD1-N 2.67Å; N124-Y128 WeakPolarHBondContact O-CA 3.37Å; N124-Y128 PolarHBondContact O-N 3.33Å; N124-S155 PolarHBondContact ND2-O 3.38Å; N124-S160 PolarHBondContact ND2-O 2.87Å; N124-F161 HydrophobicContact CB-CD1 4.45Å
125D97.6Very high98.3Very high159 Ų15960.1 Ų60.185%0.8532%0.317SS*.SBendtrans-64.6-26.7-177.4-48.5-44.5000114.3
126E96.9Very high98.4Very high107 Ų10760.8 Ų60.850%0.531%0.313SS..SBendtrans-86.9-31.5178.5-67.4-159.9164.900112.8N124 G156 K159N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 PolarHBondContact OD1-N 3.09Å; E126-G156 WeakPolarHBondContact OE2-CA 3.27Å; E126-K159 VanDerWaalsContact CD-CD 3.46Å; E126-K159 VanDerWaalsContact CD-NZ 3.28Å; E126-K159 HydrophobicContact CG-CD 3.55Å; E126-K159 WeakPolarHBondContact OE1-CD 3.45Å; E126-K159 WeakPolarHBondContact OE1-CE 3.48Å; E126-K159 IonicContact OE1-NZ 2.73Å; E126-K159 PolarHBondContact OE1-NZ 3.39Å
127N97.5Very high98.4Very high47 Ų4760.4 Ų60.425%0.25131%0.312SS..  trans-140.494.9-179.2-169.7-9.7000107.9G123 N124 S129 R154 F161G123-N127 CarbonylContact C-O 3.18Å; G123-N127 VanDerWaalsContact CA-O 3.29Å; G123-N127 WeakPolarHBondContact CA-O 3.28Å; N124-N127 PolarHBondContact N-O 2.8Å; N124-N127 CarbonylContact O-C 3.01Å; N124-N127 PolarHBondContact O-N 2.84Å; N124-N127 PolarHBondContact OD1-N 2.67Å; N127-S129 PolarHBondContact O-N 3.02Å; N127-S129 PolarHBondContact OD1-O 3.44Å; N127-R154 PolarHBondContact ND2-O 2.8Å; N127-F161 HydrophobicContact CB-CE1 4.1Å
128Y97.8Very high98.4Very high215 Ų21560.9 Ų60.984%0.84332%0.317SS*.SBendtrans-55.6-40-173.9174.6-102.9000112.3G123 N124G123-Y128 WeakPolarHBondContact CA-O 3.46Å; N124-Y128 WeakPolarHBondContact O-CA 3.37Å; N124-Y128 PolarHBondContact O-N 3.33Å
129S98.1Very high98.3Very high71 Ų7160.9 Ų60.950%0.49732%0.317SS..SBendtrans-144101.2175.5-170.70000109.4N127N127-S129 PolarHBondContact O-N 3.02Å; N127-S129 PolarHBondContact OD1-O 3.44Å
130A98.3Very high98.3Very high7 Ų766.4 Ų66.46%0.05834%0.339CS..  trans-76.4143.4-177.300000111.7A122 L132 F161A122-A130 HydrophobicContact CB-CB 4.29Å; A122-A130 WeakPolarHBondContact O-CB 3.23Å; A122-A130 PolarHBondContact O-N 3.25Å; A130-L132 PolarHBondContact O-N 3.19Å; A130-F161 HydrophobicContact CB-CD1 4.46Å; A130-F161 HydrophobicContact CB-CE1 3.64Å; A130-F161 HydrophobicContact CB-CE2 3.87Å; A130-F161 HydrophobicContact CB-CZ 3.28Å
131E98.4Very high98.1Very high125 Ų12571.9 Ų71.958%0.58437%0.369SS*.  trans-65.3129173-172.9-169.5160.300110.8V152 G153E131-V152 HydrophobicContact CB-CB 4.06Å; E131-V152 HydrophobicContact CB-CG1 4.48Å; E131-V152 HydrophobicContact CG-CB 3.98Å; E131-V152 HydrophobicContact CG-CG1 4.32Å; E131-V152 HydrophobicContact CG-CG2 4.42Å; E131-V152 WeakPolarHBondContact O-CA 3.04Å; E131-V152 WeakPolarHBondContact O-CB 3.35Å; E131-V152 PolarHBondContact O-N 2.83Å; E131-G153 PolarHBondContact O-N 3.06Å
132L98.8Very high98Very high30 Ų3069 Ų6916%0.15736%0.359CS..EExtended strand (participates in β ladder)trans-124.8153.1176.7-58.8179.9000109.8V120 A122 A130 A135 R150 F151V120-L132 HydrophobicContact CG1-CD1 4.22Å; V120-L132 WeakPolarHBondContact O-CD1 3.1Å; A122-L132 HydrophobicContact CB-CD1 4.07Å; A122-L132 HydrophobicContact CB-CD2 3.98Å; A122-L132 HydrophobicContact CB-CG 4.37Å; A130-L132 PolarHBondContact O-N 3.19Å; L132-A135 HydrophobicContact CB-CB 3.69Å; L132-A135 HydrophobicContact CD1-CB 3.96Å; L132-A135 HydrophobicContact CG-CB 4.49Å; L132-R150 CarbonylContact C-O 3.19Å; L132-R150 WeakPolarHBondContact CA-O 3.42Å; L132-F151 HydrophobicContact CD2-CB 4.25Å; L132-F151 HydrophobicContact CD2-CD1 3.31Å; L132-F151 HydrophobicContact CD2-CE1 3.77Å; L132-F151 HydrophobicContact CD2-CG 3.97Å
133R98.6Very high97.9Very high101 Ų10171.2 Ų71.238%0.38137%0.372SS..EExtended strand (participates in β ladder)trans-112.8141.4169.4-66.3174.166.1-159.20.1109.6N97 A135 L149 R150 V152N97-R133 WeakPolarHBondContact OD1-CD 3.49Å; N97-R133 PolarHBondContact OD1-NH1 2.87Å; R133-A135 PolarHBondContact O-N 3.22Å; R133-L149 WeakPolarHBondContact O-CD1 3.38Å; R133-R150 HydrophobicContact CB-CB 4.26Å; R133-R150 PolarHBondContact N-O 2.69Å; R133-R150 PolarHBondContact O-N 2.77Å; R133-V152 HydrophobicContact CG-CG2 3.67Å
134N98.4Very high97.9Very high74 Ų7470.6 Ų70.640%0.39637%0.365SS..SBendtrans54.542.3-179.3-49.6-34000112.3S136 N147 D148N134-S136 PolarHBondContact O-N 2.83Å; N134-N147 WeakPolarHBondContact CB-O 3.33Å; N134-N147 PolarHBondContact ND2-O 3.06Å; N134-N147 VanDerWaalsContact ND2-O 3.09Å; N134-D148 PolarHBondContact ND2-O 2.84Å
135A98.5Very high97.8Very high20 Ų2077.2 Ų77.217%0.16539%0.388CS..  trans-81.714.9-177.100000114.2T119 V120 L132 R133 L149T119-A135 CarbonylContact C-O 3.54Å; T119-A135 VanDerWaalsContact CA-O 3.25Å; T119-A135 WeakPolarHBondContact CA-O 3.46Å; V120-A135 PolarHBondContact N-O 2.97Å; L132-A135 HydrophobicContact CB-CB 3.69Å; L132-A135 HydrophobicContact CD1-CB 3.96Å; L132-A135 HydrophobicContact CG-CB 4.49Å; R133-A135 PolarHBondContact O-N 3.22Å; A135-L149 HydrophobicContact CB-CD1 4.16Å
136S98.6Very high97.9Very high70 Ų7069.7 Ų69.749%0.4935%0.348SS..EExtended strand (participates in β ladder)trans-129.6141.6179.7-52.30000109.5V118 N134V118-S136 CarbonylContact O-C 3.52Å; V118-S136 WeakPolarHBondContact O-CA 3.3Å; N134-S136 PolarHBondContact O-N 2.83Å
137A98.6Very high97.9Very high9 Ų970.5 Ų70.57%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-144.4164.2175.800000110V118 A144 F146V118-A137 PolarHBondContact N-O 3.21Å; V118-A137 PolarHBondContact O-N 3.05Å; A137-A144 HydrophobicContact CB-CB 4.18Å; A137-F146 HydrophobicContact CB-CB 4.48Å; A137-F146 HydrophobicContact CB-CD1 3.8Å; A137-F146 HydrophobicContact CB-CD2 3.78Å; A137-F146 HydrophobicContact CB-CE1 3.81Å; A137-F146 HydrophobicContact CB-CE2 3.79Å; A137-F146 HydrophobicContact CB-CG 3.78Å; A137-F146 HydrophobicContact CB-CZ 3.8Å
138V98.6Very high97.9Very high83 Ų8370.4 Ų70.450%0.50336%0.355SS..EExtended strand (participates in β ladder)trans-109.6133.1177.2178.80000108.8G115G115-V138 VanDerWaalsContact CA-CG1 3.45Å
139M98.4Very high98Very high0 Ų060.2 Ų60.20%032%0.315CS..EExtended strand (participates in β ladder)trans-65.7129.4174.1-168.764.47500110A108 V112 D114 G115 T116 V118 V143 A144 V167A108-M139 HydrophobicContact CB-CE 4.03Å; A108-M139 HydrophobicContact CB-SD 4.49Å; V112-M139 HydrophobicContact CB-CE 4.46Å; V112-M139 HydrophobicContact CB-CG 4.31Å; V112-M139 HydrophobicContact CG1-CB 4.35Å; V112-M139 HydrophobicContact CG1-CE 4.09Å; V112-M139 HydrophobicContact CG1-CG 3.83Å; D114-M139 WeakPolarHBondContact CA-O 3.46Å; G115-M139 PolarHBondContact N-O 2.9Å; T116-M139 WeakPolarHBondContact O-CB 3.31Å; T116-M139 PolarHBondContact O-N 2.88Å; V118-M139 HydrophobicContact CG2-CE 3.88Å; M139-V143 PolarHBondContact SD-N 3.34Å; M139-A144 HydrophobicContact CE-CB 4.14Å; M139-A144 HydrophobicContact SD-CB 4.07Å; M139-A144 PolarHBondContact SD-N 3.35Å; M139-A144 VanDerWaalsContact SD-N 3.41Å; M139-V167 HydrophobicContact CE-CG1 4.46Å
140K97.8Very high98Very high141 Ų14159.4 Ų59.461%0.61330%0.302SS*.EExtended strand (participates in β ladder)trans-144.9128.1173-175.4176.5-178.8176.10110D114 A142 V143D114-K140 WeakPolarHBondContact OD1-CA 3.44Å; K140-A142 PolarHBondContact O-N 2.91Å; K140-V143 PolarHBondContact N-O 3.02Å; K140-V143 PolarHBondContact O-N 2.95Å
141N95.2Very high98Very high121 Ų12159.1 Ų59.165%0.64730%0.299SS*.THydrogen-bonded Turntrans49.547-175.1-58.7-28.1000111.9D114 V143D114-N141 PolarHBondContact OD1-N 2.69Å; D114-N141 PolarHBondContact OD2-N 2.9Å; N141-V143 PolarHBondContact O-N 2.94Å; N141-V143 VanDerWaalsContact O-N 3.13Å
142A95.3Very high98Very high27 Ų2754.9 Ų54.922%0.22328%0.282CS..THydrogen-bonded Turntrans60.713.4-175.900000115.8V107 A108 K140V107-A142 CarbonylContact C-O 3.39Å; V107-A142 WeakPolarHBondContact CA-O 3.48Å; A108-A142 HydrophobicContact CB-CB 4.33Å; A108-A142 PolarHBondContact N-O 3.03Å; K140-A142 PolarHBondContact O-N 2.91Å
143V96.8Very high98Very high49 Ų4954 Ų5430%0.29728%0.279SS..EExtended strand (participates in β ladder)trans-126.1121.8174.5-174.70000111.1K105 V106 V107 M139 K140 N141K105-V143 HydrophobicContact CB-CG1 4.1Å; K105-V143 HydrophobicContact CD-CG1 4.28Å; K105-V143 HydrophobicContact CG-CG1 4.35Å; V106-V143 CarbonylContact O-C 3.58Å; V106-V143 WeakPolarHBondContact O-CA 3.21Å; V107-V143 HydrophobicContact CG1-CG2 4.31Å; V107-V143 HydrophobicContact CG2-CG1 4.34Å; V107-V143 HydrophobicContact CG2-CG2 4.14Å; M139-V143 PolarHBondContact SD-N 3.34Å; K140-V143 PolarHBondContact N-O 3.02Å; K140-V143 PolarHBondContact O-N 2.95Å; N141-V143 PolarHBondContact O-N 2.94Å; N141-V143 VanDerWaalsContact O-N 3.13Å
144A98.3Very high98Very high0 Ų056.1 Ų56.10%029%0.287CS..EExtended strand (participates in β ladder)trans-95.7108.3167.800000109.2K105 V106 V118 A137 M139 F146K105-A144 CarbonylContact C-O 3.55Å; K105-A144 VanDerWaalsContact CA-O 3.32Å; K105-A144 WeakPolarHBondContact CA-O 3.32Å; V106-A144 HydrophobicContact CB-CB 4.38Å; V106-A144 PolarHBondContact N-O 3.23Å; V106-A144 PolarHBondContact O-N 2.9Å; V118-A144 HydrophobicContact CB-CB 3.91Å; V118-A144 HydrophobicContact CG1-CB 4.44Å; V118-A144 HydrophobicContact CG2-CB 3.55Å; A137-A144 HydrophobicContact CB-CB 4.18Å; M139-A144 HydrophobicContact CE-CB 4.14Å; M139-A144 HydrophobicContact SD-CB 4.07Å; M139-A144 PolarHBondContact SD-N 3.35Å; M139-A144 VanDerWaalsContact SD-N 3.41Å; A144-F146 HydrophobicContact CB-CE2 4.5Å
145R98Very high98Very high166 Ų16652.6 Ų52.663%0.62627%0.269SS*.EExtended strand (participates in β ladder)trans-97.4118.5-180-176.6177.9179.8-129.82.6110.4K105K105-R145 HydrophobicContact CG-CB 4.43Å; K105-R145 HydrophobicContact CG-CG 4.23Å
146F98.6Very high98Very high1 Ų152.1 Ų52.10%0.00427%0.266CS..  trans-79.8131178.8-67.8-104.5000110.4F104 V106 V118 V120 A137 A144 D148 L149F104-F146 HydrophobicContact CB-CB 4.36Å; F104-F146 AromaticContact CD1-CD2 3.55Å; F104-F146 HydrophobicContact CD1-CD2 3.55Å; F104-F146 AromaticContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CE2 3.88Å; F104-F146 HydrophobicContact CD1-CG 4Å; F104-F146 HydrophobicContact CE1-CD2 4.23Å; F104-F146 HydrophobicContact CE1-CE2 4.09Å; F104-F146 WeakPolarHBondContact O-CB 3.46Å; F104-F146 WeakPolarHBondContact O-CD2 3.48Å; F104-F146 PolarHBondContact O-N 3.34Å; V106-F146 HydrophobicContact CB-CE2 4.4Å; V106-F146 HydrophobicContact CG2-CE2 3.74Å; V106-F146 HydrophobicContact CG2-CZ 4.4Å; V118-F146 HydrophobicContact CB-CZ 4.3Å; V118-F146 HydrophobicContact CG1-CE2 4.41Å; V118-F146 HydrophobicContact CG1-CZ 3.93Å; V120-F146 HydrophobicContact CB-CE1 4.39Å; V120-F146 HydrophobicContact CG2-CD1 4.43Å; V120-F146 HydrophobicContact CG2-CE1 3.59Å; V120-F146 HydrophobicContact CG2-CE2 4.23Å; V120-F146 HydrophobicContact CG2-CZ 3.47Å; V120-F146 VanDerWaalsContact CG2-CZ 3.47Å; A137-F146 HydrophobicContact CB-CB 4.48Å; A137-F146 HydrophobicContact CB-CD1 3.8Å; A137-F146 HydrophobicContact CB-CD2 3.78Å; A137-F146 HydrophobicContact CB-CE1 3.81Å; A137-F146 HydrophobicContact CB-CE2 3.79Å; A137-F146 HydrophobicContact CB-CG 3.78Å; A137-F146 HydrophobicContact CB-CZ 3.8Å; A144-F146 HydrophobicContact CB-CE2 4.5Å; F146-D148 PolarHBondContact O-N 2.85Å; F146-L149 HydrophobicContact CB-CB 3.98Å
147N97.9Very high97.9Very high124 Ų12460.1 Ų60.166%0.66329%0.285SS*.SBendtrans-85.496.9179.6-170.7-100.9000109.5N134 L149N134-N147 WeakPolarHBondContact CB-O 3.33Å; N134-N147 PolarHBondContact ND2-O 3.06Å; N134-N147 VanDerWaalsContact ND2-O 3.09Å; N147-L149 PolarHBondContact O-N 2.86Å
148D97.8Very high97.8Very high44 Ų4462.9 Ų62.924%0.23531%0.314CS..SBendtrans5554.7177.4-175.241000112.4T99 N134 F146 R150T99-D148 WeakPolarHBondContact CA-OD1 3.38Å; T99-D148 WeakPolarHBondContact CB-OD1 3.43Å; T99-D148 WeakPolarHBondContact CG2-OD1 3.38Å; T99-D148 PolarHBondContact OG1-OD1 3.49Å; N134-D148 PolarHBondContact ND2-O 2.84Å; F146-D148 PolarHBondContact O-N 2.85Å; D148-R150 WeakPolarHBondContact O-CG 3.25Å; D148-R150 PolarHBondContact O-N 3.1Å; D148-R150 IonicContact OD1-CZ 2.78Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 3.48Å; D148-R150 IonicContact OD1-NH2 3.76Å; D148-R150 IonicContact OD2-CZ 3.94Å; D148-R150 IonicContact OD2-NE 2.77Å; D148-R150 PolarHBondContact OD2-NE 2.89Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.14Å
149L98.8Very high97.8Very high2 Ų262.7 Ų62.71%0.0131%0.307CS..  trans-56.6129.2170.9176.162.8000109.8L100 F104 R133 A135 F146 N147 F151L100-L149 HydrophobicContact CD1-CB 4.34Å; F104-L149 HydrophobicContact CB-CB 4.36Å; F104-L149 HydrophobicContact CB-CD2 3.83Å; F104-L149 HydrophobicContact CD1-CD2 3.63Å; F104-L149 HydrophobicContact CE1-CD2 4.37Å; F104-L149 HydrophobicContact CG-CD2 3.79Å; R133-L149 WeakPolarHBondContact O-CD1 3.38Å; A135-L149 HydrophobicContact CB-CD1 4.16Å; F146-L149 HydrophobicContact CB-CB 3.98Å; N147-L149 PolarHBondContact O-N 2.86Å; L149-F151 HydrophobicContact CD2-CZ 4.49Å
150R98.8Very high97.8Very high54 Ų5464.5 Ų64.520%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-131.9145.2176-47.9-170.4-173.2-168.83112.4N97 T99 L132 R133 D148N97-R150 WeakPolarHBondContact O-CD 3.45Å; N97-R150 PolarHBondContact O-NH1 3.2Å; T99-R150 VanDerWaalsContact OG1-CZ 3.26Å; T99-R150 PolarHBondContact OG1-NE 2.91Å; T99-R150 PolarHBondContact OG1-NH2 2.91Å; T99-R150 VanDerWaalsContact OG1-NH2 3.11Å; L132-R150 CarbonylContact C-O 3.19Å; L132-R150 WeakPolarHBondContact CA-O 3.42Å; R133-R150 HydrophobicContact CB-CB 4.26Å; R133-R150 PolarHBondContact N-O 2.69Å; R133-R150 PolarHBondContact O-N 2.77Å; D148-R150 WeakPolarHBondContact O-CG 3.25Å; D148-R150 PolarHBondContact O-N 3.1Å; D148-R150 IonicContact OD1-CZ 2.78Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 3.48Å; D148-R150 IonicContact OD1-NH2 3.76Å; D148-R150 IonicContact OD2-CZ 3.94Å; D148-R150 IonicContact OD2-NE 2.77Å; D148-R150 PolarHBondContact OD2-NE 2.89Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.14Å
151F98.8Very high97.8Very high1 Ų157.8 Ų57.80%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-95.7112.3173.8-62.2-91.8000110L90 C96 N97 L100 A122 L132 L149 F161 L163 I181 V183L90-F151 HydrophobicContact CD1-CE2 4.37Å; L90-F151 HydrophobicContact CD1-CZ 3.99Å; C96-F151 CarbonylContact C-O 3.57Å; C96-F151 WeakPolarHBondContact CA-O 3.35Å; N97-F151 PolarHBondContact N-O 3.3Å; L100-F151 HydrophobicContact CD1-CE2 4.24Å; L100-F151 HydrophobicContact CD2-CD2 4.37Å; L100-F151 HydrophobicContact CD2-CE2 4.18Å; A122-F151 HydrophobicContact CB-CD1 4.27Å; A122-F151 HydrophobicContact CB-CE1 4.03Å; L132-F151 HydrophobicContact CD2-CB 4.25Å; L132-F151 HydrophobicContact CD2-CD1 3.31Å; L132-F151 HydrophobicContact CD2-CE1 3.77Å; L132-F151 HydrophobicContact CD2-CG 3.97Å; L149-F151 HydrophobicContact CD2-CZ 4.49Å; F151-F161 HydrophobicContact CD1-CD2 4.18Å; F151-L163 HydrophobicContact CE1-CD2 3.71Å; F151-L163 HydrophobicContact CZ-CD1 4.34Å; F151-L163 HydrophobicContact CZ-CD2 4.13Å; F151-I181 HydrophobicContact CD1-CG2 4.29Å; F151-I181 HydrophobicContact CD2-CD1 4.03Å; F151-I181 HydrophobicContact CE1-CG2 3.83Å; F151-I181 HydrophobicContact CE2-CD1 3.9Å; F151-I181 HydrophobicContact CE2-CG2 4.27Å; F151-I181 HydrophobicContact CZ-CD1 4.49Å; F151-I181 HydrophobicContact CZ-CG2 3.83Å; F151-V183 HydrophobicContact CB-CB 4.35Å; F151-V183 HydrophobicContact CB-CG1 3.86Å; F151-V183 HydrophobicContact CB-CG2 3.65Å; F151-V183 HydrophobicContact CD1-CG2 4.15Å; F151-V183 HydrophobicContact CD2-CG2 4.49Å; F151-V183 HydrophobicContact CG-CG2 3.85Å
152V98.6Very high98Very high36 Ų3653.8 Ų53.822%0.21827%0.271CS..  trans-92.5-45.8178.3-177.10000110.2N97 E131 R133N97-V152 HydrophobicContact CB-CG2 4.42Å; E131-V152 HydrophobicContact CB-CB 4.06Å; E131-V152 HydrophobicContact CB-CG1 4.48Å; E131-V152 HydrophobicContact CG-CB 3.98Å; E131-V152 HydrophobicContact CG-CG1 4.32Å; E131-V152 HydrophobicContact CG-CG2 4.42Å; E131-V152 WeakPolarHBondContact O-CA 3.04Å; E131-V152 WeakPolarHBondContact O-CB 3.35Å; E131-V152 PolarHBondContact O-N 2.83Å; R133-V152 HydrophobicContact CG-CG2 3.67Å
153G98.1Very high98.2Very high11 Ų1152.5 Ų52.511%0.11326%0.26CS..SBendtrans-62.3144.5174.200000112.4E131 F161 V183E131-G153 PolarHBondContact O-N 3.06Å; G153-F161 WeakPolarHBondContact O-CE2 3.28Å; G153-V183 WeakPolarHBondContact O-CG1 3.32Å
154R98.5Very high98.2Very high145 Ų14552.3 Ų52.355%0.54726%0.259SS..  trans-89.8142.7175.5-64.3170.162-169.10.9109.9N127 F161 V183N127-R154 PolarHBondContact ND2-O 2.8Å; R154-F161 WeakPolarHBondContact O-CZ 3.38Å; R154-V183 WeakPolarHBondContact CA-O 3.46Å
155S98.6Very high98.3Very high0 Ų052.3 Ų52.30%026%0.259CS..  trans-88-12.3-177.963.80000114.1N124 K159 F161 K182 V183N124-S155 PolarHBondContact ND2-O 3.38Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.36Å; S155-K159 PolarHBondContact OG-O 2.75Å; S155-F161 VanDerWaalsContact CA-CE1 3.49Å; S155-K182 WeakPolarHBondContact OG-CA 3.36Å; S155-V183 PolarHBondContact N-O 2.8Å; S155-V183 PolarHBondContact OG-N 3.06Å; S155-V183 PolarHBondContact OG-O 3.42Å
156G97.7Very high98.3Very high10 Ų1045.3 Ų45.310%0.10323%0.234CC..  trans110167.3-17700000115.9E126 G158E126-G156 WeakPolarHBondContact OE2-CA 3.27Å; G156-G158 PolarHBondContact O-N 2.92Å
157R96.5Very high98.3Very high238 Ų23845.3 Ų45.390%0.89823%0.234SC*.THydrogen-bonded Turntrans-73.1116.2175.5-175.3179.4178.8104.8-0.2109.2K159R157-K159 PolarHBondContact O-N 2.78Å
158G96.3Very high98.3Very high67 Ų6744 Ų4469%0.69122%0.223SC*.THydrogen-bonded Turntrans71.810178.400000114.5G156G156-G158 PolarHBondContact O-N 2.92Å
159K98.3Very high98.3Very high79 Ų7943.1 Ų43.134%0.34322%0.219SC..  trans-113.3145.7-177.5-70.1178.8178.4176.90111E126 S155 R157 K182E126-K159 VanDerWaalsContact CD-CD 3.46Å; E126-K159 VanDerWaalsContact CD-NZ 3.28Å; E126-K159 HydrophobicContact CG-CD 3.55Å; E126-K159 WeakPolarHBondContact OE1-CD 3.45Å; E126-K159 WeakPolarHBondContact OE1-CE 3.48Å; E126-K159 IonicContact OE1-NZ 2.73Å; E126-K159 PolarHBondContact OE1-NZ 3.39Å; S155-K159 WeakPolarHBondContact CB-O 3.44Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.36Å; S155-K159 PolarHBondContact OG-O 2.75Å; R157-K159 PolarHBondContact O-N 2.78Å; K159-K182 VanDerWaalsContact O-CG 3.3Å; K159-K182 WeakPolarHBondContact O-CG 3.47Å
160S98.7Very high98.2Very high39 Ų3949 Ų4927%0.27326%0.261SS..  trans-109.6155.3176.3-61.80000110.3N124 I181N124-S160 PolarHBondContact ND2-O 2.87Å; S160-I181 CarbonylContact C-O 3.55Å; S160-I181 WeakPolarHBondContact CA-O 3.44Å
161F98.8Very high98.1Very high0 Ų051.4 Ų51.40%028%0.283CS..EExtended strand (participates in β ladder)trans-76.7147.9165.7-71.4-48.4000111.2A122 N124 N127 A130 F151 G153 R154 S155 L163 R179 A180 I181 V183A122-F161 HydrophobicContact CB-CB 4.13Å; A122-F161 HydrophobicContact CB-CD1 4.49Å; A122-F161 HydrophobicContact CB-CD2 4.16Å; A122-F161 HydrophobicContact CB-CG 4.04Å; N124-F161 HydrophobicContact CB-CD1 4.45Å; N127-F161 HydrophobicContact CB-CE1 4.1Å; A130-F161 HydrophobicContact CB-CD1 4.46Å; A130-F161 HydrophobicContact CB-CE1 3.64Å; A130-F161 HydrophobicContact CB-CE2 3.87Å; A130-F161 HydrophobicContact CB-CZ 3.28Å; F151-F161 HydrophobicContact CD1-CD2 4.18Å; G153-F161 WeakPolarHBondContact O-CE2 3.28Å; R154-F161 WeakPolarHBondContact O-CZ 3.38Å; S155-F161 VanDerWaalsContact CA-CE1 3.49Å; F161-L163 HydrophobicContact CB-CD2 4.44Å; F161-R179 CarbonylContact O-C 3.6Å; F161-R179 WeakPolarHBondContact O-CA 3.3Å; F161-A180 PolarHBondContact O-N 2.91Å; F161-I181 HydrophobicContact CB-CG2 4.33Å; F161-I181 PolarHBondContact N-O 2.77Å; F161-V183 HydrophobicContact CD2-CB 4.35Å; F161-V183 HydrophobicContact CD2-CG2 3.85Å; F161-V183 HydrophobicContact CE2-CB 3.96Å; F161-V183 HydrophobicContact CE2-CG2 3.9Å
162T98.8Very high98Very high37 Ų3755.3 Ų55.323%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-97.4134.1158.2-67.40000107.5A122 G123 T176 Y177 R179A122-T162 WeakPolarHBondContact CA-O 3.33Å; G123-T162 PolarHBondContact N-O 2.83Å; G123-T162 PolarHBondContact O-N 3Å; T162-T176 HydrophobicContact CG2-CG2 3.27Å; T162-Y177 WeakPolarHBondContact CA-O 3.35Å; T162-R179 PolarHBondContact OG1-N 2.96Å
163L98.8Very high98Very high0 Ų056.4 Ų56.40%031%0.312CS..EExtended strand (participates in β ladder)trans-95.4137.7175.6-51.8-173.6000110.6L90 F104 V120 M121 A122 F151 F161 T176 Y177 A180L90-L163 HydrophobicContact CD1-CD1 3.48Å; L90-L163 VanDerWaalsContact CD1-CD1 3.48Å; F104-L163 HydrophobicContact CE2-CD1 4.49Å; F104-L163 HydrophobicContact CZ-CD1 4.29Å; V120-L163 HydrophobicContact CG1-CB 4.25Å; V120-L163 HydrophobicContact CG1-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD2 4.34Å; M121-L163 CarbonylContact O-C 3.58Å; M121-L163 VanDerWaalsContact O-CA 3.23Å; M121-L163 WeakPolarHBondContact O-CA 3.23Å; A122-L163 HydrophobicContact CB-CD2 3.55Å; F151-L163 HydrophobicContact CE1-CD2 3.71Å; F151-L163 HydrophobicContact CZ-CD1 4.34Å; F151-L163 HydrophobicContact CZ-CD2 4.13Å; F161-L163 HydrophobicContact CB-CD2 4.44Å; L163-T176 CarbonylContact O-C 3.44Å; L163-T176 VanDerWaalsContact O-CA 3.27Å; L163-T176 WeakPolarHBondContact O-CA 3.46Å; L163-T176 WeakPolarHBondContact O-CG2 3.34Å; L163-Y177 PolarHBondContact N-O 2.84Å; L163-Y177 PolarHBondContact O-N 3.41Å; L163-A180 HydrophobicContact CD1-CB 4.15Å; L163-A180 HydrophobicContact CG-CB 3.89Å
164T98.7Very high98Very high44 Ų4459.6 Ų59.627%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-111.1112.3169.4-53.20000107.4V120 M121 V174V120-T164 CarbonylContact C-O 3.52Å; V120-T164 WeakPolarHBondContact CA-O 3.02Å; M121-T164 HydrophobicContact CE-CG2 4.05Å; M121-T164 PolarHBondContact N-O 3.1Å; M121-T164 PolarHBondContact O-N 3.45Å; T164-V174 HydrophobicContact CG2-CG1 3.54Å
165I98.8Very high98Very high0 Ų052.7 Ų52.70%030%0.303CS..EExtended strand (participates in β ladder)trans-99.8119.1-179.8-55.2164.3000107.1T80 C87 F104 V106 V118 T119 V120 V174 A175T80-I165 HydrophobicContact CG2-CD1 4.14Å; C87-I165 HydrophobicContact CB-CD1 4.03Å; F104-I165 HydrophobicContact CZ-CD1 4.27Å; V106-I165 HydrophobicContact CG1-CG2 4.07Å; V106-I165 HydrophobicContact CG2-CD1 4.17Å; V106-I165 HydrophobicContact CG2-CG2 3.77Å; V118-I165 HydrophobicContact CG1-CG2 3.79Å; T119-I165 WeakPolarHBondContact O-CA 3.47Å; V120-I165 HydrophobicContact CG2-CG1 4.33Å; I165-V174 CarbonylContact O-C 3.48Å; I165-V174 WeakPolarHBondContact O-CA 3.44Å; I165-A175 WeakPolarHBondContact CA-O 3.27Å; I165-A175 HydrophobicContact CB-CB 4.38Å; I165-A175 WeakPolarHBondContact CB-O 3.35Å; I165-A175 PolarHBondContact N-O 2.94Å; I165-A175 PolarHBondContact O-N 2.83Å
166T98.7Very high98Very high19 Ų1953.8 Ų53.812%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-110.2122.1178.8-55.60000109.3V118 T119 F168 V174V118-T166 CarbonylContact C-O 3.57Å; V118-T166 VanDerWaalsContact CA-O 3.3Å; V118-T166 WeakPolarHBondContact CA-O 3.46Å; T119-T166 PolarHBondContact N-O 2.83Å; T119-T166 PolarHBondContact O-N 3.37Å; T166-F168 HydrophobicContact CG2-CD2 4.19Å; T166-F168 HydrophobicContact CG2-CE1 4.2Å; T166-F168 HydrophobicContact CG2-CE2 3.78Å; T166-F168 HydrophobicContact CG2-CZ 3.8Å; T166-V174 HydrophobicContact CG2-CG2 4.43Å
167V98.6Very high98.1Very high1 Ų155 Ų551%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-105.1116.4174.9-176.60000107.8F85 V112 T116 V118 M139 T169 Q173F85-V167 HydrophobicContact CD1-CG2 4.16Å; F85-V167 HydrophobicContact CE1-CB 4.27Å; F85-V167 HydrophobicContact CE1-CG1 4.24Å; F85-V167 HydrophobicContact CE1-CG2 3.65Å; F85-V167 HydrophobicContact CE2-CG2 4.41Å; F85-V167 HydrophobicContact CZ-CB 4.04Å; F85-V167 HydrophobicContact CZ-CG1 4.19Å; F85-V167 HydrophobicContact CZ-CG2 3.8Å; V112-V167 HydrophobicContact CG1-CG1 4.02Å; T116-V167 HydrophobicContact CG2-CG1 3.86Å; V118-V167 HydrophobicContact CG1-CG2 4.05Å; V118-V167 HydrophobicContact CG2-CG1 4.24Å; V118-V167 HydrophobicContact CG2-CG2 4.15Å; M139-V167 HydrophobicContact CE-CG1 4.46Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; V167-T169 PolarHBondContact O-N 2.73Å; V167-Q173 PolarHBondContact N-O 3.39Å; V167-Q173 PolarHBondContact O-N 2.9Å
168F98.5Very high98.1Very high98 Ų9848.6 Ų48.643%0.4329%0.291SS..  trans-83.155.2-170.6-69.3-95.4000112.5L117 T119 T166L117-F168 HydrophobicContact CB-CB 4.26Å; L117-F168 HydrophobicContact CB-CD2 4.04Å; L117-F168 HydrophobicContact CB-CG 4.38Å; L117-F168 HydrophobicContact CD2-CD2 4.18Å; L117-F168 HydrophobicContact CD2-CE2 4.31Å; L117-F168 HydrophobicContact CG-CD2 4.13Å; L117-F168 WeakPolarHBondContact O-CD2 3.06Å; L117-F168 PolarHBondContact O-N 3.12Å; T119-F168 HydrophobicContact CG2-CE2 3.64Å; T119-F168 HydrophobicContact CG2-CZ 4.3Å; T119-F168 WeakPolarHBondContact OG1-CE2 3.44Å; T166-F168 HydrophobicContact CG2-CD2 4.19Å; T166-F168 HydrophobicContact CG2-CE1 4.2Å; T166-F168 HydrophobicContact CG2-CE2 3.78Å; T166-F168 HydrophobicContact CG2-CZ 3.8Å
169T97.6Very high98.2Very high25 Ų2555.1 Ų55.115%0.15330%0.295CS..  trans-73.8177.216449.30000110.9V112 T116 V167 P171 P172 Q173V112-T169 HydrophobicContact CG1-CG2 3.97Å; V112-T169 HydrophobicContact CG2-CG2 4.42Å; T116-T169 HydrophobicContact CG2-CG2 4.12Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; V167-T169 PolarHBondContact O-N 2.73Å; T169-P171 CarbonylContact C-O 3.57Å; T169-P171 WeakPolarHBondContact CB-O 3.39Å; T169-P171 CarbonylContact O-C 3.55Å; T169-P171 PolarHBondContact OG1-O 2.88Å; T169-P172 VanDerWaalsContact O-CA 3.31Å; T169-P172 WeakPolarHBondContact O-CA 3.47Å; T169-P172 WeakPolarHBondContact O-CD 3.34Å; T169-Q173 PolarHBondContact OG1-NE2 2.97Å
170S95.9Very high98.2Very high126 Ų12651.6 Ų51.688%0.88128%0.28SS*.SBendtrans-116.1104169.8-169.90000109.2
171P96.8Very high98.2Very high103 Ų10349.7 Ų49.767%0.66927%0.267SS*.SBendcis-74.2159.60.431.8-35.9000113.6T169T169-P171 CarbonylContact C-O 3.57Å; T169-P171 WeakPolarHBondContact CB-O 3.39Å; T169-P171 CarbonylContact O-C 3.55Å; T169-P171 PolarHBondContact OG1-O 2.88Å
172P97.9Very high98.2Very high84 Ų8452.5 Ų52.555%0.54528%0.279SS..  trans-62.8140.9175.5-23.634.3000111.7T169T169-P172 VanDerWaalsContact O-CA 3.31Å; T169-P172 WeakPolarHBondContact O-CA 3.47Å; T169-P172 WeakPolarHBondContact O-CD 3.34Å
173Q98Very high98.2Very high59 Ų5950.8 Ų50.828%0.27627%0.269SS..EExtended strand (participates in β ladder)trans-110.5142.5177.3-68.1175.475.900109.9F85 V167 T169F85-Q173 HydrophobicContact CE2-CB 3.82Å; F85-Q173 HydrophobicContact CZ-CB 4.16Å; V167-Q173 PolarHBondContact N-O 3.39Å; V167-Q173 PolarHBondContact O-N 2.9Å; T169-Q173 PolarHBondContact OG1-NE2 2.97Å
174V98.3Very high98.2Very high77 Ų7752 Ų5247%0.46728%0.276SS..EExtended strand (participates in β ladder)trans-123.1139.2-179.7-177.70000109.3T164 I165 T166T164-V174 HydrophobicContact CG2-CG1 3.54Å; I165-V174 CarbonylContact O-C 3.48Å; I165-V174 WeakPolarHBondContact O-CA 3.44Å; T166-V174 HydrophobicContact CG2-CG2 4.43Å
175A98.3Very high98.2Very high1 Ų153 Ų531%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-134137.4174.900000109.7T80 D81 F85 I165T80-A175 HydrophobicContact CG2-CB 4.16Å; D81-A175 WeakPolarHBondContact OD1-CA 3.3Å; F85-A175 HydrophobicContact CB-CB 4.03Å; F85-A175 HydrophobicContact CD2-CB 4.13Å; F85-A175 HydrophobicContact CG-CB 4.38Å; I165-A175 WeakPolarHBondContact CA-O 3.27Å; I165-A175 HydrophobicContact CB-CB 4.38Å; I165-A175 WeakPolarHBondContact CB-O 3.35Å; I165-A175 PolarHBondContact N-O 2.94Å; I165-A175 PolarHBondContact O-N 2.83Å
176T98.6Very high98.1Very high23 Ų2356.8 Ų56.814%0.14130%0.303CS..EExtended strand (participates in β ladder)trans-112.3134.1-175.4-43.60000110.3D81 T162 L163 H178D81-T176 VanDerWaalsContact CG-CB 3.5Å; D81-T176 VanDerWaalsContact CG-N 3.31Å; D81-T176 PolarHBondContact N-O 3.11Å; D81-T176 PolarHBondContact OD1-N 3.28Å; D81-T176 WeakPolarHBondContact OD2-CB 3.21Å; D81-T176 PolarHBondContact OD2-OG1 2.63Å; T162-T176 HydrophobicContact CG2-CG2 3.27Å; L163-T176 CarbonylContact O-C 3.44Å; L163-T176 VanDerWaalsContact O-CA 3.27Å; L163-T176 WeakPolarHBondContact O-CA 3.46Å; L163-T176 WeakPolarHBondContact O-CG2 3.34Å; T176-H178 VanDerWaalsContact CG2-CE1 3.45Å; T176-H178 WeakPolarHBondContact CG2-CE1 3.42Å
177Y98.5Very high98Very high35 Ų3556.1 Ų56.114%0.13730%0.299CS..EExtended strand (participates in β ladder)trans-11397.8168.4-173.7-178.2000109.2V78 C87 T162 L163 A180V78-Y177 HydrophobicContact CG1-CD1 4.17Å; V78-Y177 HydrophobicContact CG1-CE1 3.54Å; V78-Y177 HydrophobicContact CG1-CE2 4.28Å; C87-Y177 WeakPolarHBondContact SG-CD1 3.41Å; T162-Y177 WeakPolarHBondContact CA-O 3.35Å; L163-Y177 PolarHBondContact N-O 2.84Å; L163-Y177 PolarHBondContact O-N 3.41Å; Y177-A180 HydrophobicContact CD1-CB 3.64Å; Y177-A180 HydrophobicContact CD2-CB 3.84Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CE2-CB 4.01Å; Y177-A180 HydrophobicContact CG-CB 3.64Å
178H98.4Very high97.9Very high104 Ų10459.7 Ų59.748%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-69.7139.4-177.9-62.6-71.7000113.1T176 A180T176-H178 VanDerWaalsContact CG2-CE1 3.45Å; T176-H178 WeakPolarHBondContact CG2-CE1 3.42Å; H178-A180 PolarHBondContact O-N 2.88Å; H178-A180 VanDerWaalsContact O-N 3.1Å
179R97.9Very high97.8Very high203 Ų20361.7 Ų61.777%0.76633%0.327SS*.EExtended strand (participates in β ladder)trans48.737.8175.9-60.7-175.8-68.3-98.7-0.9113F161 T162 I181F161-R179 CarbonylContact O-C 3.6Å; F161-R179 WeakPolarHBondContact O-CA 3.3Å; T162-R179 PolarHBondContact OG1-N 2.96Å; R179-I181 PolarHBondContact O-N 2.97Å
180A98.4Very high97.5Very high5 Ų567.7 Ų67.74%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-65.1-42.3-17000000113.3L90 F161 L163 Y177 H178L90-A180 HydrophobicContact CD1-CB 4.27Å; F161-A180 PolarHBondContact O-N 2.91Å; L163-A180 HydrophobicContact CD1-CB 4.15Å; L163-A180 HydrophobicContact CG-CB 3.89Å; Y177-A180 HydrophobicContact CD1-CB 3.64Å; Y177-A180 HydrophobicContact CD2-CB 3.84Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CE2-CB 4.01Å; Y177-A180 HydrophobicContact CG-CB 3.64Å; H178-A180 PolarHBondContact O-N 2.88Å; H178-A180 VanDerWaalsContact O-N 3.1Å
181I98.7Very high97.4Very high0 Ų067.6 Ų67.60%035%0.35CS..EExtended strand (participates in β ladder)trans-155.8133.7-170.5-176.3161.5000112.7L90 P91 W94 L100 F151 S160 F161 R179 V183L90-I181 HydrophobicContact CB-CB 4.41Å; L90-I181 HydrophobicContact CB-CD1 4.42Å; L90-I181 HydrophobicContact CD1-CB 4.43Å; L90-I181 HydrophobicContact CD1-CG2 4.25Å; P91-I181 VanDerWaalsContact O-CG1 3.28Å; P91-I181 WeakPolarHBondContact O-CG1 3.35Å; W94-I181 HydrophobicContact CB-CD1 3.72Å; W94-I181 HydrophobicContact CB-CG1 4.28Å; L100-I181 HydrophobicContact CD2-CD1 4.3Å; F151-I181 HydrophobicContact CD1-CG2 4.29Å; F151-I181 HydrophobicContact CD2-CD1 4.03Å; F151-I181 HydrophobicContact CE1-CG2 3.83Å; F151-I181 HydrophobicContact CE2-CD1 3.9Å; F151-I181 HydrophobicContact CE2-CG2 4.27Å; F151-I181 HydrophobicContact CZ-CD1 4.49Å; F151-I181 HydrophobicContact CZ-CG2 3.83Å; S160-I181 CarbonylContact C-O 3.55Å; S160-I181 WeakPolarHBondContact CA-O 3.44Å; F161-I181 HydrophobicContact CB-CG2 4.33Å; F161-I181 PolarHBondContact N-O 2.77Å; R179-I181 PolarHBondContact O-N 2.97Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å; I181-V183 HydrophobicContact CG1-CG2 3.9Å; I181-V183 HydrophobicContact CG2-CG2 4.25Å
182K98.8Very high97Very high58 Ų5872.4 Ų72.425%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-91.4127.5166.5175177.270.4-175.40109.9S92 H93 W94 S155 K159 T184S92-K182 WeakPolarHBondContact O-CB 3.48Å; S92-K182 PolarHBondContact O-N 3.04Å; H93-K182 CarbonylContact C-O 3.6Å; H93-K182 VanDerWaalsContact CA-O 3.28Å; H93-K182 WeakPolarHBondContact CA-O 3.32Å; H93-K182 VanDerWaalsContact CD2-CE 3.48Å; H93-K182 WeakPolarHBondContact CD2-CE 3.44Å; H93-K182 PolarHBondContact CD2-O 2.88Å; H93-K182 WeakPolarHBondContact ND1-CE 3.38Å; W94-K182 PolarHBondContact N-O 3Å; S155-K182 WeakPolarHBondContact OG-CA 3.36Å; K159-K182 VanDerWaalsContact O-CG 3.3Å; K159-K182 WeakPolarHBondContact O-CG 3.47Å; K182-T184 HydrophobicContact CG-CG2 4.15Å
183V98.8Very high96.2Very high1 Ų180 Ų801%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-118.9124.9-177-176.10000110.3C96 F151 G153 R154 S155 F161 I181C96-V183 HydrophobicContact CB-CG1 3.74Å; F151-V183 HydrophobicContact CB-CB 4.35Å; F151-V183 HydrophobicContact CB-CG1 3.86Å; F151-V183 HydrophobicContact CB-CG2 3.65Å; F151-V183 HydrophobicContact CD1-CG2 4.15Å; F151-V183 HydrophobicContact CD2-CG2 4.49Å; F151-V183 HydrophobicContact CG-CG2 3.85Å; G153-V183 WeakPolarHBondContact O-CG1 3.32Å; R154-V183 WeakPolarHBondContact CA-O 3.46Å; S155-V183 PolarHBondContact N-O 2.8Å; S155-V183 PolarHBondContact OG-N 3.06Å; S155-V183 PolarHBondContact OG-O 3.42Å; F161-V183 HydrophobicContact CD2-CB 4.35Å; F161-V183 HydrophobicContact CD2-CG2 3.85Å; F161-V183 HydrophobicContact CE2-CB 3.96Å; F161-V183 HydrophobicContact CE2-CG2 3.9Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å; I181-V183 HydrophobicContact CG1-CG2 3.9Å; I181-V183 HydrophobicContact CG2-CG2 4.25Å
184T98.4Very high95Very high25 Ų2585.6 Ų85.615%0.15340%0.399CS..EExtended strand (participates in β ladder)trans-139.5170.5-178.566.80000111.1H93 W94 R95 C96 K182 D186 G187H93-T184 PolarHBondContact NE2-OG1 3.28Å; W94-T184 PolarHBondContact O-N 2.91Å; W94-T184 VanDerWaalsContact O-N 3.1Å; R95-T184 CarbonylContact C-O 3.58Å; R95-T184 WeakPolarHBondContact CA-O 3.37Å; C96-T184 PolarHBondContact N-O 3.27Å; K182-T184 HydrophobicContact CG-CG2 4.15Å; T184-D186 PolarHBondContact O-N 3.29Å; T184-G187 WeakPolarHBondContact OG1-CA 3.23Å; T184-G187 PolarHBondContact OG1-N 2.8Å
185V98.1Very high93.6Very high66 Ų6692.7 Ų92.740%0.442%0.417SS..SBendtrans-62.1-41.1-179.9179.70000113.2R95R95-V185 WeakPolarHBondContact CD-O 3.29Å; R95-V185 VanDerWaalsContact CG-O 3.27Å; R95-V185 WeakPolarHBondContact CG-O 3.39Å; R95-V185 PolarHBondContact NE-O 3.42Å; R95-V185 VanDerWaalsContact NE-O 3.12Å
186D96.5Very high91.8Very high80 Ų80100.8 Ų100.843%0.42845%0.454SS..SBendtrans-89.3-35.6-177.3-72.9-3.3000111.5R95 T184 R189R95-D186 WeakPolarHBondContact CD-O 3.44Å; T184-D186 PolarHBondContact O-N 3.29Å; D186-R189 HydrophobicContact CB-CB 4.38Å; D186-R189 IonicContact OD1-NH1 2.67Å; D186-R189 WeakPolarHBondContact OD2-CD 3.45Å; D186-R189 IonicContact OD2-CZ 3.78Å; D186-R189 IonicContact OD2-NE 3.28Å; D186-R189 IonicContact OD2-NH1 3.14Å; D186-R189 PolarHBondContact OD2-NH1 3.3Å
187G97.1Very high89.7Confident4 Ų4108.4 Ų108.44%0.04149%0.486CS..  trans73.1-159.2-166.300000111.7H93 W94 T184 R189H93-G187 PolarHBondContact CE1-O 2.8Å; H93-G187 VanDerWaalsContact NE2-C 3.33Å; H93-G187 WeakPolarHBondContact NE2-CA 3.48Å; H93-G187 PolarHBondContact NE2-O 2.8Å; W94-G187 VanDerWaalsContact C-CA 3.47Å; W94-G187 WeakPolarHBondContact O-CA 3.45Å; T184-G187 WeakPolarHBondContact OG1-CA 3.23Å; T184-G187 PolarHBondContact OG1-N 2.8Å; G187-R189 PolarHBondContact O-N 2.99Å
188P97Very high87.8Confident77 Ų77114.3 Ų114.350%0.552%0.519SS..SBendtrans-55.8125.3167.2-22.533.9000109.3H93H93-P188 HydrophobicContact CB-CG 4.15Å; H93-P188 VanDerWaalsContact O-CD 3.23Å; H93-P188 WeakPolarHBondContact O-CD 3.39Å; H93-P188 WeakPolarHBondContact O-CG 2.8Å
189R95.4Very high86.1Confident140 Ų140118.1 Ų118.153%0.52854%0.537SS..  trans-140.8141.7-176.3-176.7178.1179.3169.66.5109.5D186 G187D186-R189 HydrophobicContact CB-CB 4.38Å; D186-R189 IonicContact OD1-NH1 2.67Å; D186-R189 WeakPolarHBondContact OD2-CD 3.45Å; D186-R189 IonicContact OD2-CZ 3.78Å; D186-R189 IonicContact OD2-NE 3.28Å; D186-R189 IonicContact OD2-NH1 3.14Å; D186-R189 PolarHBondContact OD2-NH1 3.3Å; G187-R189 PolarHBondContact O-N 2.99Å
190E92.4Very high83.9Confident150 Ų150114 Ų11470%0.70153%0.53SS*.PPolyproline II helixtrans-59.7145.9176.8-64.566.5-139.200110.7R192E190-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact O-N 3.14Å
191P93.1Very high81.2Confident125 Ų125121.2 Ų121.281%0.81256%0.563SS**PPolyproline II helixtrans-52.5124171.1-25.734.7000110.3R193P191-R193 PolarHBondContact O-N 3.32Å
192R87.9Confident79.1Confident204 Ų204125.9 Ų125.977%0.7760%0.601SS**PPolyproline II helixtrans-66.7120.4178-67.2-173.1-69.9174.4-1.7108.3E190 H194E190-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact O-N 3.14Å; R192-H194 PolarHBondContact O-N 3.35Å
193R82.8Confident76.9Confident243 Ų243132.5 Ų132.592%0.91763%0.63SS**PPolyproline II helixtrans-57.8127.3171.6-68.5-177.5-179.2-109.60.7108.4P191 R195P191-R193 PolarHBondContact O-N 3.32Å; R193-R195 PolarHBondContact O-N 2.93Å
194H70.9Confident74.7Confident177 Ų177138.1 Ų138.182%0.81967%0.667SS**  trans-65.5101.4171.2-174.9-90.1000106.9R192 Q196R192-H194 PolarHBondContact O-N 3.35Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.18Å
195R69.6Low72.8Confident226 Ų226144.5 Ų144.585%0.85370%0.7SS**  trans-62.499.1172-174.1167.5116.2165.22.1105.8R193 K197R193-R195 PolarHBondContact O-N 2.93Å; R195-K197 PolarHBondContact O-N 2.93Å
196Q60.7Low70.9Confident170 Ų170145.3 Ų145.379%0.79471%0.705SS**  trans-52111.3165.3-170.8170.70.200104.6H194 L198H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 3.18Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 2.85Å
197K55.3Low69.4Low184 Ų184148.6 Ų148.680%0.872%0.722SS**  trans-57.4108.9170.7-81.9-173.5174.2-172.50104.1R195 E199R195-K197 PolarHBondContact O-N 2.93Å; K197-E199 PolarHBondContact O-N 3.49Å
198L58Low67.7Low158 Ų158156.3 Ų156.383%0.82775%0.754SS**  trans-66.589.4158-167.7143.7000103.8Q196 D200Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 2.85Å; L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.27Å
199E62.8Low66.3Low184 Ų184155.2 Ų155.286%0.8675%0.749SS**  trans-60.6102.3154.2-178.5170.6165.300104.5K197K197-E199 PolarHBondContact O-N 3.49Å
200D50.9Low64.9Low117 Ų117153.1 Ų153.163%0.62675%0.748SS**  -169.6151.7127-152.29.4000113L198L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.27Å
201Q43Very low63.9Low156 Ų156155.3 Ų155.373%0.72975%0.75SS**  trans97.688.3143.7-131.1162.69600118.5K203Q201-K203 PolarHBondContact O-N 3.46Å
202A52.9Low63.1Low98 Ų98153.6 Ų153.681%0.8173%0.734SS**  trans-8.7117.2151.100000115.3
203K52.8Low62.6Low198 Ų198146 Ų14686%0.86171%0.712SS**  trans-117125.1152.4-76.5-175.8177.8179.80108.7Q201Q201-K203 PolarHBondContact O-N 3.46Å
204P53.1Low62.4Low119 Ų119140.3 Ų140.377%0.77370%0.695SS**  trans-79.1152.2175.932.8-31000110.5
205N57.7Low62.8Low158 Ų158136.7 Ų136.785%0.84568%0.682SS**  trans72.389.1172.1-77.3-9000118.7
206T59.6Low63.2Low83 Ų83131.5 Ų131.551%0.50967%0.667SS.*  trans-152.575.6155.551.40000112.9F208 S209 D210T206-F208 PolarHBondContact O-N 3.24Å; T206-S209 VanDerWaalsContact CB-CB 3.4Å; T206-S209 PolarHBondContact O-N 2.73Å; T206-S209 WeakPolarHBondContact OG1-CB 3.35Å; T206-D210 PolarHBondContact O-N 2.65Å; T206-D210 VanDerWaalsContact O-N 3.07Å
207L63.4Low64Low150 Ų150131 Ų13179%0.78566%0.658SS**Hα-helixtrans-51.9-25166.7-73.5167.5000112.7R211L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 2.7Å
208F62.5Low64.8Low165 Ų165130.6 Ų130.672%0.72465%0.653SS**Hα-helixtrans-76.5-37.2175-136.1-89.6000113.2T206 D210 L212T206-F208 PolarHBondContact O-N 3.24Å; F208-D210 VanDerWaalsContact C-N 3.31Å; F208-L212 HydrophobicContact CD1-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.08Å; F208-L212 PolarHBondContact O-N 2.81Å; F208-L212 VanDerWaalsContact O-N 3.09Å
209S67.1Low65.5Low55 Ų55132 Ų13239%0.38565%0.647SS.*Hα-helixtrans-69.9-33.6175.2-167.60000110.8T206 L212 S213T206-S209 VanDerWaalsContact CB-CB 3.4Å; T206-S209 PolarHBondContact O-N 2.73Å; T206-S209 WeakPolarHBondContact OG1-CB 3.35Å; S209-L212 PolarHBondContact O-N 3.46Å; S209-S213 WeakPolarHBondContact O-CB 3.2Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 2.84Å
210D66.9Low65.8Low96 Ų96129 Ų12951%0.51363%0.633SS.*Hα-helixtrans-66.8-44.5176.3-68-34.5000111.5T206 F208 L212 S213 E214T206-D210 PolarHBondContact O-N 2.65Å; T206-D210 VanDerWaalsContact O-N 3.07Å; F208-D210 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.41Å; D210-S213 PolarHBondContact O-N 2.89Å; D210-E214 VanDerWaalsContact O-CB 3.23Å; D210-E214 WeakPolarHBondContact O-CB 3.39Å; D210-E214 PolarHBondContact O-N 3.09Å
211R71.9Confident66.6Low195 Ų195127 Ų12774%0.73663%0.625SS**Hα-helixtrans-63.6-38.3175-72.7-169-175.3-138.93.1112.9L207 E214 L215L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 2.7Å; R211-E214 PolarHBondContact O-N 3.39Å; R211-L215 WeakPolarHBondContact O-CB 3.4Å; R211-L215 PolarHBondContact O-N 3.5Å
212L74.8Confident67.6Low90 Ų90122.3 Ų122.347%0.47161%0.613SS.*Hα-helixtrans-69.2-42.3175-73.5173.1000111.7F208 S209 D210 E214 L215 E216F208-L212 HydrophobicContact CD1-CD1 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.08Å; F208-L212 PolarHBondContact O-N 2.81Å; F208-L212 VanDerWaalsContact O-N 3.09Å; S209-L212 PolarHBondContact O-N 3.46Å; D210-L212 PolarHBondContact O-N 3.41Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 2.76Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-E216 WeakPolarHBondContact O-CG 3.37Å; L212-E216 PolarHBondContact O-N 3.22Å
213S78.8Confident68Low45 Ų45125.7 Ų125.732%0.31561%0.614SS.*Hα-helixtrans-64-34.9175.5-58.50000111.5S209 D210 R217S209-S213 WeakPolarHBondContact O-CB 3.2Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 2.84Å; D210-S213 PolarHBondContact O-N 2.89Å; S213-R217 WeakPolarHBondContact O-CB 3.19Å; S213-R217 WeakPolarHBondContact O-CG 3.23Å; S213-R217 PolarHBondContact O-N 3.01Å
214E76.8Confident68.5Low122 Ų122127 Ų12757%0.5761%0.613SS**Hα-helixtrans-69.5-41.7174.7-169.8175.8-166.500111.7D210 R211 L212 E216 R217 Y218D210-E214 VanDerWaalsContact O-CB 3.23Å; D210-E214 WeakPolarHBondContact O-CB 3.39Å; D210-E214 PolarHBondContact O-N 3.09Å; R211-E214 PolarHBondContact O-N 3.39Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 2.76Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-E216 PolarHBondContact O-N 3.03Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 PolarHBondContact O-N 2.92Å; E214-Y218 WeakPolarHBondContact O-CB 3.28Å; E214-Y218 PolarHBondContact O-N 3.31Å
215L80.1Confident68.5Low101 Ų101126 Ų12653%0.52961%0.605SS.*Hα-helixtrans-64.8-38.5174.3-172.163.1000111.9R211 L212 Y218 R219R211-L215 WeakPolarHBondContact O-CB 3.4Å; R211-L215 PolarHBondContact O-N 3.5Å; L212-L215 PolarHBondContact O-N 3.31Å; L215-Y218 PolarHBondContact O-N 2.96Å; L215-R219 PolarHBondContact O-N 3.49Å
216E77.3Confident68Low118 Ų118120.6 Ų120.655%0.55159%0.587SS**Hα-helixtrans-65.4-41.6171.7-74.1-179.4174.100111.9L212 E214 Y218 R219 Q220L212-E216 WeakPolarHBondContact O-CG 3.37Å; L212-E216 PolarHBondContact O-N 3.22Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-E216 PolarHBondContact O-N 3.03Å; E216-Y218 VanDerWaalsContact C-N 3.33Å; E216-Y218 PolarHBondContact O-N 3.22Å; E216-R219 PolarHBondContact O-N 3.36Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 3.43Å
217R78.6Confident67.5Low159 Ų159123.4 Ų123.460%0.661%0.606SS**Hα-helixtrans-64.7-34.9172.1-82.2-162.4-66.8-147.1-0.8112.4S213 E214 Q220 T221S213-R217 WeakPolarHBondContact O-CB 3.19Å; S213-R217 WeakPolarHBondContact O-CG 3.23Å; S213-R217 PolarHBondContact O-N 3.01Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 PolarHBondContact O-N 2.92Å; R217-Q220 PolarHBondContact O-N 3.07Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 PolarHBondContact O-OG1 2.78Å
218Y72.1Confident66.5Low175 Ų175120.5 Ų120.569%0.68660%0.599SS**Hα-helixtrans-67-42.7177.3-163.2-91.5000110.4E214 L215 E216 Q220 T221 A222E214-Y218 WeakPolarHBondContact O-CB 3.28Å; E214-Y218 PolarHBondContact O-N 3.31Å; L215-Y218 PolarHBondContact O-N 2.96Å; E216-Y218 VanDerWaalsContact C-N 3.33Å; E216-Y218 PolarHBondContact O-N 3.22Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 3.05Å; Y218-T221 PolarHBondContact O-N 3.34Å; Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 2.74Å
219R73.3Confident65.5Low188 Ų188118.6 Ų118.671%0.70960%0.601SS**Hα-helixtrans-61-39.6172.1-75.8-178.4161.3174.3-3.7112.9L215 E216 M223L215-R219 PolarHBondContact O-N 3.49Å; E216-R219 PolarHBondContact O-N 3.36Å; R219-M223 WeakPolarHBondContact O-CG 3.11Å
220Q68.1Low64.3Low122 Ų122122.4 Ų122.457%0.5762%0.624SS**Hα-helixtrans-73.1-36.9177.9-69.1173.231.300112.7E216 R217 Y218E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.48Å; E216-Q220 PolarHBondContact O-N 3.43Å; R217-Q220 PolarHBondContact O-N 3.07Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 3.05Å
221T68.1Low63Low74 Ų74123 Ų12345%0.45464%0.636SS.*Hα-helixtrans-76.8-37.4179.8-55.10000111.6R217 Y218 M223 R224 V225R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 PolarHBondContact O-OG1 2.78Å; Y218-T221 PolarHBondContact O-N 3.34Å; T221-M223 PolarHBondContact O-N 3.49Å; T221-R224 WeakPolarHBondContact O-CA 3.44Å; T221-R224 PolarHBondContact O-N 3.31Å; T221-V225 HydrophobicContact CG2-CG2 4.16Å; T221-V225 PolarHBondContact O-N 3.05Å
222A63.6Low61.8Low57 Ų57119.8 Ų119.847%0.47164%0.64SS.*Hα-helixtrans-59.3-29.917500000112.4Y218 R224Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 2.74Å; A222-R224 VanDerWaalsContact C-N 3.34Å
223M62Low60.3Low170 Ų170126.7 Ų126.784%0.83766%0.66SS**THydrogen-bonded Turntrans-81.3-11174.3-63.8-69.8-80.400113.5R219 T221R219-M223 WeakPolarHBondContact O-CG 3.11Å; T221-M223 PolarHBondContact O-N 3.49Å
224R62.3Low58.4Low224 Ų224130.8 Ų130.885%0.84569%0.686SS**THydrogen-bonded Turntrans-100-17.2176-70.6-171.4-176-164.22.3113.6T221 A222T221-R224 WeakPolarHBondContact O-CA 3.44Å; T221-R224 PolarHBondContact O-N 3.31Å; A222-R224 VanDerWaalsContact C-N 3.34Å
225V53.6Low56.4Low98 Ų98134 Ų13459%0.59470%0.7SS**  trans-108.289.7178.7-174.50000108.4T221T221-V225 HydrophobicContact CG2-CG2 4.16Å; T221-V225 PolarHBondContact O-N 3.05Å
226G47.9Very low54.5Low45 Ų45137.1 Ų137.146%0.46472%0.717SS.*  trans-62.9157.6154.400000109.5S228G226-S228 VanDerWaalsContact C-N 3.32Å; G226-S228 PolarHBondContact O-N 2.88Å
227P49Very low52.6Low142 Ų142139.1 Ų139.192%0.92273%0.732SS**SBendtrans-71.389.8-176.330.3-32.6000109.5
228S42.2Very low50.4Low89 Ų89136.1 Ų136.162%0.62274%0.74SS**  trans-141.9105.5167.658.50000109.1G226G226-S228 VanDerWaalsContact C-N 3.32Å; G226-S228 PolarHBondContact O-N 2.88Å
229T41.7Very low49.1Very low125 Ų125133.7 Ų133.777%0.76775%0.746SS**  trans54.6127.9145590000118.9S231T229-S231 PolarHBondContact O-N 2.79Å
230P42.2Very low47.3Very low136 Ų136130 Ų13088%0.88375%0.749SS**PPolyproline II helixtrans-68.6117.2172.929-31.2000110.1
231S39.2Very low45.7Very low109 Ų109132.9 Ų132.976%0.76276%0.762SS**PPolyproline II helixtrans-72.4144.9170.753.20000111.4T229T229-S231 PolarHBondContact O-N 2.79Å
232P47.2Very low44Very low127 Ų127139 Ų13983%0.82578%0.783SS**PPolyproline II helixtrans-79.7160.3-17432.6-33.3000113.4
233R42.2Very low42.5Very low235 Ų235141.4 Ų141.489%0.88780%0.796SS**PPolyproline II helixtrans-48154-177.5-75.3176.5177.8-178.4-1.4115.5
234P39.7Very low41Very low131 Ų131139.2 Ų139.285%0.85180%0.798SS**PPolyproline II helixtrans-73.5132.5177.431.2-33.8000112.1
235Q33.8Very low39.7Very low188 Ų188134.5 Ų134.588%0.87980%0.799SS**PPolyproline II helixtrans-79.6131.7171-75.2-81.7-15.100109.9
236L41Very low38.6Very low168 Ų168134.3 Ų134.388%0.8881%0.808SS**PPolyproline II helixtrans-76140.2178.7-149.380.1000110
237N36Very low37.9Very low160 Ų160141.4 Ų141.486%0.85683%0.829SS**  trans-41.9131.1176.7-75.91000114.5
238A33.4Very low37.2Very low95 Ų95140.1 Ų140.179%0.78582%0.819SS**PPolyproline II helixtrans-102.1131.4157.600000109.2
239P45Very low36.7Very low124 Ų124144.1 Ų144.181%0.80583%0.828SS**PPolyproline II helixtrans-84.9155.9169.832.5-29.1000111.9
240S34.8Very low36.2Very low111 Ų111146.4 Ų146.478%0.77683%0.832SS**PPolyproline II helixtrans-58.2146.6-174.637.10000117.1
241H34.7Very low36.4Very low183 Ų183145.6 Ų145.685%0.84783%0.826SS**  trans-19.6133.5160.5-57.8-94.4000118.1
242F32.5Very low35.9Very low202 Ų202143.7 Ų143.789%0.88682%0.824SS**  trans-162.4132.1132.6-128.5-96.6000113
243S32.7Very low35Very low107 Ų107142.9 Ų142.975%0.74882%0.821SS**  trans51.6131.3154.261.40000124.3
244S31.1Very low34.7Very low124 Ų124136.5 Ų136.587%0.86781%0.812SS**  trans-73.4138.6168.8-35.90000114.3
245S33.1Very low34.3Very low125 Ų125136.8 Ų136.887%0.87481%0.807SS**  trans-166.6138.1141.653.20000111
246A31.1Very low34.4Very low95 Ų95135.2 Ų135.279%0.78580%0.804SS**  trans-69.9150.7-174.800000115.1
247Q33.7Very low33.9Very low194 Ų194132 Ų13291%0.90780%0.796SS**  -177.5168.3129.7-122.4170.9-19.800112.8
248T35Very low34.6Very low114 Ų114129.3 Ų129.370%0.69979%0.787SS**  trans-112.9165.7-143.1-26.90000113.4
249Q31.1Very low34.4Very low174 Ų174135 Ų13581%0.81379%0.794SS**  trans80.7108.4151.1-68.8178.841.400121.5
250M30Very low33.9Very low173 Ų173134.3 Ų134.385%0.85279%0.792SS**  32175.5120.6-53.5-67.4-68.700121.8
251P46.4Very low33.9Very low119 Ų119135 Ų13577%0.77379%0.787SS**  -129.5-178.7-84.641-21.8000113.3
252G28.9Very low34.5Very low68 Ų68131.1 Ų131.170%0.70178%0.778SS**  trans139.4110.9164.700000112.6
253S29.5Very low34.8Very low111 Ų111132.5 Ų132.578%0.77678%0.778SS**  86.5125.470.176.50000114.4
254S34.6Very low34.8Very low100 Ų100134.1 Ų134.170%0.69977%0.773SS**  trans74.4142.1149.6-65.50000118
255D33.1Very low34.9Very low138 Ų138137.9 Ų137.974%0.73877%0.774SS**  cis-178.9169.72.8-107.6-43.6000108.8
256L34.2Very low34.9Very low154 Ų154137.5 Ų137.581%0.80676%0.759SS**  trans93.193.5156-63.3151.5000122.6
257S31.7Very low35Very low102 Ų102141.6 Ų141.671%0.71375%0.754SS**  34.3176114.270.70000122.8
258P50.1Low34.9Very low103 Ų103139.9 Ų139.967%0.66975%0.746SS**  cis-134.5160-2629.3-9.4000114.2
259F29.6Very low35.1Very low213 Ų213144.2 Ų144.293%0.93476%0.756SS**  trans-164.5130.3134.7-115.6-79.1000110.5
260S33.8Very low35.5Very low110 Ų110141.3 Ų141.377%0.76975%0.752SS**  trans-96.8141.7-172.2-53.30000112.4
261D35.5Very low35.5Very low125 Ų125136.3 Ų136.367%0.66875%0.745SS**  trans16.4151.1146-129.2-0.8000120.4R263D261-R263 PolarHBondContact OD1-N 2.8Å
262P46.3Very low35.3Very low103 Ų103138.7 Ų138.767%0.66975%0.75SS**  -152.9144.764.136.3-13.7000117.9
263R39.7Very low35.2Very low230 Ų230141.2 Ų141.287%0.86876%0.757SS**  trans15585130.6-84.2-178-92-160.1-1.7110D261D261-R263 PolarHBondContact OD1-N 2.8Å
264Q32.3Very low35.4Very low141 Ų141140.8 Ų140.866%0.65975%0.754SS**  54.9102.384-64.2-78.3-51.400114.7
265F33.8Very low35.4Very low203 Ų203143.9 Ų143.989%0.8976%0.762SS**  trans-177.279.9138.7-98.8-70.9000105.7
266E33.1Very low35.3Very low117 Ų117141.4 Ų141.455%0.54776%0.761SS.*  68123.783.2-137-171.4-179.700115
267R33.5Very low35.1Very low181 Ų181141 Ų14168%0.68376%0.759SS**  trans85.9108.6159.9-48.8-162.9-159.7-71.5-8.2116.8
268Q30.8Very low35.2Very low158 Ų158140.8 Ų140.874%0.73876%0.758SS**  98.5112.754.4-177.1173.2-1.600111.4
269F38.4Very low34.3Very low206 Ų206147.3 Ų147.390%0.90477%0.769SS**  trans-79.9142.7157-88.5-84.7000109.4
270P39.6Very low34.4Very low113 Ų113146.7 Ų146.773%0.73477%0.766SS**  -134.5145.2115.429.5-13.3000110
271G31.1Very low34.4Very low68 Ų68145.9 Ų145.970%0.70177%0.767SS**  100.499.969.200000110.3
272L41.7Very low34.4Very low169 Ų169147.1 Ų147.189%0.88577%0.773SS**  trans23.6127.1155.4-53.3173.6000120.6
273S27Very low34.4Very low120 Ų120146.8 Ų146.884%0.83977%0.771SS**  170.7134.3114.3-730000114.2
274S34.8Very low34.1Very low102 Ų102146.5 Ų146.571%0.71377%0.77SS**  trans18.3142.8142.7-154.70000122.7
275L33.6Very low34.3Very low165 Ų165146.2 Ų146.286%0.86478%0.777SS**  trans95.3137.1151.1-76.6140.9000120.6
276A30.2Very low34.4Very low87 Ų87145.6 Ų145.672%0.71978%0.777SS**  trans89.6107.9152.900000119.6
277D30.7Very low34.7Very low145 Ų145150.1 Ų150.178%0.77579%0.79SS**  66.4111.4129.1-88.5-50.4000122.2
278S33.2Very low35.4Very low98 Ų98147.6 Ų147.669%0.68580%0.798SS**  57.7103.4110.5-54.10000119.3
279R32.3Very low35.4Very low239 Ų239142.9 Ų142.990%0.90279%0.791SS**SBendtrans-136.281.4150.2-81.9-163.7-78.6-156.8-5.6111
280F31.3Very low35.1Very low200 Ų200139.4 Ų139.488%0.87779%0.787SS**  165.3114.6113.1-110.5-93.1000108
281A33.4Very low35.1Very low94 Ų94142.7 Ų142.778%0.77780%0.795SS**  trans-80.3135.6-175.900000111.6
282D36.2Very low36.5Very low150 Ų150145 Ų14580%0.80280%0.797SS**  trans-59.1131.5154.3-174.20.2000110.3
283P45.6Very low36.2Very low96 Ų96141.6 Ų141.662%0.62379%0.794SS**  trans-95.9114.3173.533.6-25.9000112
284R34.7Very low36.4Very low225 Ų225139.9 Ų139.985%0.84979%0.787SS**  trans103.3100.1137.1-65177.6162.9101.90.1117.7
285V36.4Very low36.2Very low135 Ų135144.1 Ų144.182%0.81879%0.793SS**  -133.8118126.3-164.50000109
286H34Very low36.1Very low190 Ų190141 Ų14188%0.8878%0.781SS**  trans-93.7122.2164.7-101.230.9000108.1
287Y39.8Very low36Very low211 Ų211147 Ų14783%0.82779%0.786SS**  trans-68.2161.7151.9-101.6-98000108.4
288P48.5Very low36.1Very low129 Ų129144.9 Ų144.984%0.83878%0.783SS**  -156.9176.452.338.5-14.5000118.1
289G30.3Very low35.9Very low59 Ų59144 Ų14461%0.60878%0.782SS**  trans119.6140.5156.800000113.9
290T32.7Very low36.3Very low133 Ų133139 Ų13982%0.81678%0.778SS**  cis-174.2118.81250000105.9
291M38.8Very low37.1Very low181 Ų181135 Ų13589%0.89277%0.772SS**  trans45.5179142.9-51.4-64.7-159.700119.7
292P62Low37.7Very low116 Ų116136.9 Ų136.975%0.75378%0.776SS**  -125.5-174.2-119.323.25.4000113.4
293A35.5Very low37.7Very low98 Ų98135.8 Ų135.881%0.8178%0.775SS**  trans99143.9151.100000120.6
294A29.7Very low37.5Very low84 Ų84138.2 Ų138.269%0.69479%0.789SS**  trans88.4113.7139.100000121.1
295F32Very low37.6Very low192 Ų192130.4 Ų130.484%0.84278%0.778SS**  54.6118.2129.9-65.6-70.9000122.8
296T30.3Very low37.5Very low100 Ų100132.4 Ų132.461%0.61378%0.782SS**  52.9119.3127.3-15.40000121
297Y29.8Very low37.6Very low212 Ų212127.1 Ų127.183%0.83178%0.779SS**  175.1153.4100.1-102.8-84.5000112.7
298S31.4Very low37.2Very low100 Ų100120.4 Ų120.470%0.69977%0.774SS**  trans-34.2153.7170.754.90000120.2
299A30.3Very low36.8Very low81 Ų81122.9 Ų122.967%0.66978%0.778SS**  156.1136.399.600000114.3
300T39.5Very low37Very low132 Ų132125.3 Ų125.381%0.8179%0.786SS**  trans64.7130.6148.1530000122.4
301P48.2Very low37.4Very low118 Ų118127.2 Ų127.277%0.76679%0.788SS**PPolyproline II helixtrans-94.7148.3147.334.2-26.4000111.3
302P45.6Very low37.2Very low133 Ų133123.2 Ų123.286%0.86478%0.778SS**PPolyproline II helixtrans-78.3137.5173.630.8-31.1000111.6
303T36.1Very low35.8Very low127 Ų127122.9 Ų122.978%0.77978%0.778SS**PPolyproline II helixtrans-93141.5165.4-173.10000110
304T43.1Very low35.8Very low147 Ų147127 Ų12790%0.90278%0.783SS**  trans-145.699.4149.2250000103.8
305G34.9Very low36Very low60 Ų60127.1 Ų127.162%0.61978%0.783SS**  91.1120.981.600000107.9
306I35.4Very low35.9Very low177 Ų177123 Ų12391%0.90878%0.779SS**  -168.614253.8-82.9158.8000110.1
307G35.5Very low36.1Very low79 Ų79124.3 Ų124.381%0.81479%0.787SS**  trans86.6115.215300000116.1
308G32.7Very low36.6Very low70 Ų70118.2 Ų118.272%0.72278%0.78SS**  cis132.3101.115.500000108.2
309I38.9Very low37Very low181 Ų181125 Ų12593%0.92879%0.79SS**  trans-176.3121137.840172.7000109.1
310S34.4Very low37.3Very low110 Ų110131.3 Ų131.377%0.76980%0.798SS**  trans-81.2148.5174.4-55.70000111.3
311M40.7Very low37.3Very low174 Ų174133.6 Ų133.686%0.85780%0.8SS**  -165.5112.1125.2-86.9-47164.600110.1
312S35.8Very low36.7Very low97 Ų97134.1 Ų134.168%0.67880%0.801SS**  40.2106.3128.9-44.30000118.7
313S32.4Very low36.5Very low109 Ų109138.6 Ų138.676%0.76280%0.802SS**  88.7111.870.871.80000115.3
314M34.9Very low37.4Very low185 Ų185139.7 Ų139.791%0.91180%0.802SS**  trans155.9105.1133.1-95.5-171.8158.800108
315A33.3Very low38.1Very low85 Ų85138.1 Ų138.170%0.70280%0.795SS**  93.712180.400000112.6
316S31.3Very low39.2Very low107 Ų107140.9 Ų140.975%0.74880%0.801SS**  trans110.6124.714186.50000118.1
317T33.2Very low40.1Very low127 Ų127138.5 Ų138.578%0.77980%0.797SS**  trans85108.3139.9-29.80000118.5
318A40.8Very low40.3Very low84 Ų84145.4 Ų145.469%0.69480%0.801SS**  trans-35.2139.5156.500000113.7
319R39.8Very low41.1Very low242 Ų242148.1 Ų148.191%0.91381%0.806SS**  -161.2131.2118.9-65.5-151.7-175.3155.84.2109.3
320Y36.9Very low40.9Very low213 Ų213143.2 Ų143.284%0.83580%0.8SS**  trans-57.5141.3162.6-70-93.2000109.8
321H40.1Very low41Very low181 Ų181144 Ų14484%0.83881%0.805SS**  trans-172.9134.9133.1-84.9-53000111.8
322T35.5Very low41Very low129 Ų129140.2 Ų140.279%0.79180%0.801SS**  trans-54.9133.2172.8-56.90000112.9
323Y40.1Very low41Very low226 Ų226144 Ų14489%0.88681%0.808SS**  trans-75.2122.9171.5-76.3-89.6000111.2
324L56.3Low41.1Very low150 Ų150144.8 Ų144.879%0.78580%0.804SS**  trans-108.9144.7152.9-105.387.6000108.8
325P57.7Low41.1Very low115 Ų115144 Ų14475%0.74780%0.798SS**PPolyproline II helixtrans-75.9153175.130.5-32.9000112.7
326P58.5Low41.2Very low117 Ų117144 Ų14476%0.7681%0.806SS**PPolyproline II helixtrans-79.3156.3-177.532.5-34000112.9
327P53Low41.3Very low127 Ų127142.9 Ų142.983%0.82581%0.811SS**PPolyproline II helixtrans-82.4149.7176.433.9-31.5000111.9
328Y39.9Very low41.6Very low225 Ų225143.3 Ų143.388%0.88281%0.814SS**PPolyproline II helixtrans-66.8147.4175.4-79.2-90.5000112.3
329P49.2Very low41.2Very low127 Ų127149.7 Ų149.783%0.82583%0.826SS**PPolyproline II helixtrans-79132.6176.531.1-31.1000111.6
330G35.8Very low41Very low78 Ų78147 Ų14780%0.80482%0.824SS**PPolyproline II helixtrans-80.9142.2168.900000112.1
331S36.8Very low40.8Very low127 Ų127141.9 Ų141.989%0.88883%0.826SS**PPolyproline II helixtrans-83.3121.6168.449.40000110.3
332A39.9Very low40.3Very low93 Ų93137 Ų13777%0.76982%0.824SS**PPolyproline II helixtrans-99.6130.6167.300000109.5
333Q35.8Very low40.1Very low177 Ų177135.9 Ų135.983%0.82783%0.828SS**  trans-159.9111.9140-151.5133.8-18.300113
334N33.7Very low39.7Very low125 Ų125130.4 Ų130.467%0.66882%0.823SS**  trans88.9128.9134.6-101.5-11.7000124.2
335Q35.9Very low39.6Very low170 Ų170127.4 Ų127.479%0.79481%0.813SS**  trans83.596.1141.9-70.4-177.335.600119.9
336G34.2Very low38.4Very low85 Ų85133.6 Ų133.688%0.87682%0.823SS**  77.4117.5103.500000118
337G33.5Very low37.3Very low82 Ų82135.9 Ų135.985%0.84582%0.823SS**  trans151.1101.3159.300000114.8
338T39.6Very low36.9Very low136 Ų136136.6 Ų136.683%0.83482%0.819SS**  trans-74.2133165.516.10000110.9
339F34Very low36.6Very low218 Ų218136.5 Ų136.596%0.95682%0.819SS**  trans-153.5137.6145-107.9-78.3000111.7
340Q35Very low36Very low185 Ų185140.3 Ų140.386%0.86482%0.818SS**  trans-90.1161.6177.8-97.6-161.5-29.200112.5
341A31.6Very low35.8Very low106 Ų106139.8 Ų139.888%0.87681%0.813SS**  trans103.8124144.300000118.2
342G30.5Very low35.7Very low78 Ų78140.6 Ų140.680%0.80481%0.813SS**  trans155.976.9161.100000116.6
343A31.6Very low35.6Very low106 Ų106141.9 Ų141.988%0.87682%0.816SS**  trans29.8122150.900000122.9
344S32.3Very low35.8Very low112 Ų112138.6 Ų138.678%0.78382%0.82SS**  trans-63-176.1153.4-106.10000113.2
345P52.2Low35.8Very low87 Ų87136.4 Ų136.457%0.56583%0.826SS**  cis-141.3164.4-23.533.3-13.9000113.9
346Y34Very low35.8Very low244 Ų244133.5 Ų133.596%0.95783%0.825SS**  trans-141.5138.4140.3-99.7-78000111
347H35.6Very low35.7Very low165 Ų165140.4 Ų140.476%0.76483%0.826SS**  trans-79150.3-157.4-94.9-119.7000115.9
348L44.8Very low35.7Very low142 Ų142145.3 Ų145.374%0.74383%0.827SS**  trans-43153.2155.1-74.2143.3000114.9
349Y32.2Very low35.2Very low224 Ų224148.3 Ų148.388%0.87883%0.829SS**  trans-139.5136132.6-112.3-87.3000112.6
350Y36.3Very low35.1Very low206 Ų206143.6 Ų143.681%0.80882%0.823SS**  trans-43.4165-179.4-74.4-98.2000117.5
351G31.8Very low35.2Very low68 Ų68143.5 Ų143.570%0.70182%0.824SS**  cis177.8171.213.500000115
352T35.8Very low35.5Very low143 Ų143145.2 Ų145.288%0.87782%0.824SS**  trans-77.6140.2173.752.40000111.6
353S37.3Very low35.6Very low121 Ų121146.3 Ų146.385%0.84683%0.825SS**  trans-131.8120.3156.459.50000110.1
354A40.4Very low35.6Very low108 Ų108144.3 Ų144.389%0.89382%0.815SS**  trans-68.4154172.300000112
355G34Very low35.7Very low78 Ų78147.9 Ų147.980%0.80482%0.819SS**  trans-171.187.117200000111.1
356S36Very low34.9Very low109 Ų109155.5 Ų155.576%0.76284%0.836SS**  trans-72.6127.3174.148.10000112.2
357Y32.5Very low35.2Very low230 Ų230149.1 Ų149.190%0.90283%0.828SS**  trans-141.4132.1153.9-89.6-80.1000111.8
358Q31.5Very low35.5Very low186 Ų186147.3 Ų147.387%0.86983%0.83SS**  trans-81.6138.7-175.4-131.2175.9-70.600110.9
359F30.1Very low35.1Very low199 Ų199146.6 Ų146.687%0.87383%0.832SS**  trans-83.2139.1164.9-43.7-86.2000109.1
360S31.1Very low35.4Very low119 Ų119145.7 Ų145.783%0.83283%0.827SS**  trans-128.2129.7164.9-146.80000109.8
361M38.4Very low35.3Very low182 Ų182144.3 Ų144.390%0.89783%0.831SS**  trans-81.2139.3-179.7-57.4-152.4-115.600110.5
362V36.5Very low35.7Very low143 Ų143147.1 Ų147.187%0.86783%0.829SS**  trans-139.3115.9153.7179.90000108.5
363A32.5Very low35.9Very low100 Ų100146.3 Ų146.383%0.82683%0.826SS**  trans-80.3144.4160.600000109.2
364G32.3Very low35.6Very low64 Ų64145 Ų14566%0.6682%0.817SS**  trans166.784.317400000115.1
365E34.8Very low35Very low188 Ų188145.7 Ų145.788%0.87981%0.814SS**  46.1102129.5-53.6-81.4144.500118.1
366R35.8Very low35Very low246 Ų246148.5 Ų148.593%0.92882%0.815SS**  trans-136.2100.6155.2-79.5-170.2178.3-133.1-0.3111.1
367S38.9Very low34.8Very low110 Ų110149 Ų14977%0.76982%0.819SS**  trans-88.2148.2146.8-69.40000109
368P43.7Very low34.8Very low127 Ų127143.1 Ų143.183%0.82582%0.818SS**  trans-130.4132.8131.433.8-22.8000112.5
369T34.7Very low34.8Very low128 Ų128139.7 Ų139.779%0.78581%0.814SS**  trans-72.7132.5174-430000110.6
370R39.6Very low35Very low204 Ų204136.5 Ų136.577%0.7782%0.817SS**  trans40.5109.4137.1-154.5-177.2-162.5-131.64.6118.4
371M34Very low35Very low178 Ų178134.6 Ų134.688%0.87782%0.816SS**  trans-147.8115.3141.3-85.1-72.895.600109.7
372L40.4Very low34.7Very low126 Ų126132 Ų13266%0.6682%0.815SS**  trans-68.4159.8159.8-81.2144.7000109.3
373P38.6Very low34.7Very low127 Ų127130.2 Ų130.283%0.82581%0.809SS**  -126.1123.4125.226.4-13.1000111.4
374S31.5Very low34.9Very low94 Ų94132.8 Ų132.866%0.65781%0.809SS**  trans-88.7152.8158.7-69.80000109.6
375C29.3Very low35Very low122 Ų122137.6 Ų137.682%0.82482%0.816SS**  trans68.7140.4167.178.10000116.8
376T32.5Very low35.1Very low136 Ų136135.6 Ų135.683%0.83481%0.811SS**  cis-143.5140.534.623.30000113.4
377S31.6Very low35.8Very low121 Ų121128.7 Ų128.785%0.84680%0.798SS**  trans-66.8140.2165.9-47.30000111.2
378A32.9Very low35.3Very low106 Ų106130 Ų13088%0.87680%0.796SS**  trans-105.9129.8156.900000108.9
379S32.4Very low34.9Very low113 Ų113131.8 Ų131.879%0.7980%0.799SS**  trans-82.7148.2-164.9-36.40000112.9
380S33.7Very low34.7Very low132 Ų132129.6 Ų129.692%0.92379%0.793SS**  trans-171.8120.8142.4-77.40000109.3
381G31.1Very low34.3Very low79 Ų79126.3 Ų126.381%0.81479%0.791SS**  trans146.261.3173.200000114.5
382S32.5Very low34.3Very low127 Ų127124.4 Ų124.489%0.88878%0.78SS**  trans-63.5133.5174.642.30000113.5
383S35.5Very low33.9Very low106 Ų106124.7 Ų124.774%0.74178%0.782SS**  trans-123.3132.516151.20000108.1
384L37.3Very low33.7Very low155 Ų155125.8 Ų125.881%0.81278%0.781SS**  trans177.5148.6137.7-93.5168.9000111.5
385M34Very low33.7Very low165 Ų165124 Ų12481%0.81378%0.778SS**  trans103.7107.4159.9-53.6-54172.800118.3
386N37.8Very low34.2Very low146 Ų146124.4 Ų124.478%0.78178%0.776SS**  trans-90.2151.7152.6-162.217.1000107.6
387P48.9Very low34.6Very low101 Ų101125 Ų12566%0.65677%0.774SS**  -156.9152.38737.1-16.6000116.8
388N29.8Very low35.7Very low136 Ų136124.2 Ų124.273%0.72777%0.766SS**  165.8146.3121.8-94.8-49.9000115.4
389L34.8Very low35.7Very low166 Ų166127.4 Ų127.487%0.86977%0.769SS**  trans70.4143.7162.5-63.2139.8000117.8
390A30.3Very low35.7Very low81 Ų81125.5 Ų125.567%0.66977%0.766SS**  cis-173.8158.7-19.600000107.2
391N31.4Very low35.9Very low136 Ų136124.4 Ų124.473%0.72776%0.759SS**  trans78.7109.1152.2-986000121.8
392Q33.9Very low36.2Very low137 Ų137129.8 Ų129.864%0.6476%0.763SS**  88.2124.8113.8-80.9-170.160.300122
393N32.4Very low36.3Very low133 Ų133128.2 Ų128.271%0.71175%0.752SS**  trans64.3151.7136.4-73.314.6000118.1
394D33.5Very low36.2Very low149 Ų149130.4 Ų130.480%0.79776%0.755SS**  cis179.5158.8-15.7-165.6-61.9000102.7
395G33Very low36.1Very low58 Ų58128.3 Ų128.360%0.59875%0.753SS**  trans87.6104.8159.600000116.9
396V38.3Very low36.5Very low129 Ų129126.5 Ų126.578%0.78275%0.754SS**  93103.974.2165.60000113.2
397D41.8Very low36.5Very low149 Ų149125.5 Ų125.580%0.79775%0.753SS**  trans64.8153138-69.5-53.3000125.5
398P53.8Low35.7Very low105 Ų105128 Ų12868%0.68276%0.761SS**  trans-112.6152.6-160.140-26.9000113.8
399N33.5Very low35.9Very low173 Ų173126.9 Ų126.993%0.92576%0.759SS**  trans176.5149.9143.3-114.8-24.9000111
400G31.8Very low35.8Very low72 Ų72125.5 Ų125.574%0.74276%0.757SS**  trans152.670.3160.600000115.6
401S38.6Very low36.2Very low109 Ų109128.2 Ų128.276%0.76277%0.766SS**  trans-49.1138.6157.1-500000111.2
402Q36.4Very low36.3Very low193 Ų193125.2 Ų125.290%0.90277%0.767SS**  trans-169.7126.8135-104.3165.15700112.8
403S36.5Very low36.7Very low93 Ų93130.3 Ų130.365%0.6578%0.78SS**  trans-52150.1163.942.50000114
404N32.5Very low37.2Very low152 Ų152132.2 Ų132.281%0.81379%0.79SS**  178.9117.9120.7-87.9-20000111.3
405S34.2Very low37.6Very low111 Ų111132.1 Ų132.178%0.77679%0.789SS**  trans-75.5156.3150.8-600000109
406P43.6Very low37.9Very low127 Ų127137.3 Ų137.383%0.82580%0.798SS**  -136142.9115.734.7-22.8000113.3
407T37.1Very low38.4Very low125 Ų125136.3 Ų136.377%0.76780%0.796SS**  trans-84.3137.1163.9-210000108.5
408L33.3Very low38.4Very low155 Ų155133.5 Ų133.581%0.81279%0.785SS**  trans-172.7116.7132.9-117.2108.6000111.2
409T33.5Very low37.7Very low112 Ų112139.6 Ų139.669%0.68779%0.794SS**  trans35.7123.3136.966.90000120.4
410T32.5Very low38.4Very low136 Ų136141.7 Ų141.783%0.83479%0.789SS**  -168.6133.6121-82.70000110.8
411T37.9Very low39.4Very low138 Ų138142.8 Ų142.885%0.84778%0.783SS**  trans-57.8130.9167.443.80000112.4
412G34.7Very low39.8Very low74 Ų74152.1 Ų152.176%0.76380%0.804SS**  trans-175.696169.400000112.5L414G412-L414 PolarHBondContact O-N 3.2Å
413R40.9Very low40Very low243 Ų243150.1 Ų150.192%0.91780%0.799SS**  trans-49.8124.2157-88.3177.4161.3162.4-5.2109
414L44.2Very low40.2Very low173 Ų173153.1 Ų153.191%0.90681%0.807SS**  trans-150.5125.2141.6-72.2-178000108.4G412G412-L414 PolarHBondContact O-N 3.2Å
415D41.8Very low40.6Very low147 Ų147153.2 Ų153.279%0.78681%0.807SS**  trans-62.2128167.6-174.2-89000109.2
416E39.3Very low41Very low168 Ų168155.6 Ų155.679%0.78581%0.809SS**  trans-151.5102.5152.9-145.3172.4101.400111V418E416-V418 HydrophobicContact CB-CG2 4.44Å; E416-V418 HydrophobicContact CG-CG2 3.83Å; E416-V418 PolarHBondContact O-N 3.43Å; E416-V418 VanDerWaalsContact OE1-CG2 3.32Å; E416-V418 WeakPolarHBondContact OE1-CG2 3.45Å
417S47.8Very low40.8Very low107 Ų107157.4 Ų157.475%0.74881%0.808SS**  trans-72.7104.6163.9-63.80000108.9
418V42.2Very low41.1Very low91 Ų91159.6 Ų159.655%0.55281%0.81SS**  trans-115.2104.1170.9-175.70000109.9E416 R420E416-V418 HydrophobicContact CB-CG2 4.44Å; E416-V418 HydrophobicContact CG-CG2 3.83Å; E416-V418 PolarHBondContact O-N 3.43Å; E416-V418 VanDerWaalsContact OE1-CG2 3.32Å; E416-V418 WeakPolarHBondContact OE1-CG2 3.45Å; V418-R420 HydrophobicContact CG1-CG 4.45Å
419W38.8Very low41.6Very low233 Ų233159.9 Ų159.988%0.88381%0.81SS**  trans-48.9134.5158.3-99.273000110.9
420R48.9Very low42.2Very low216 Ų216163.6 Ų163.682%0.81582%0.82SS**  trans-136.7119.5157.9-73-167.9173.2-119.8-0.9110.1V418V418-R420 HydrophobicContact CG1-CG 4.45Å
421P53.7Low43Very low96 Ų96165.9 Ų165.962%0.62382%0.818SS**  trans-86.2138159.133.7-25.9000109.2
422Y46.6Very low43.5Very low305 Ų305168.5 Ų168.5100%1.19682%0.816SS**  trans-149.40136.1-87.4-67.9000108.1

Retrieved 422 of 422 residues in 52 ms (Link to these results)