A0A087X5U9_POEFO Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A087X5U9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1S44.5Very low38.4Very low177 Ų177130.1 Ų130.1100%1.23886%0.863SS**  0122.40-77.90000108.9
2A48.8Very low37.6Very low92 Ų92124.7 Ų124.776%0.7685%0.847SS**  trans-57161.9-172.500000113.6
3P49.8Very low37.2Very low128 Ų128128.5 Ų128.583%0.83185%0.845SS**  -131.3162.610635.4-25.5000115
4D39.4Very low36.8Very low164 Ų164129 Ų12988%0.87784%0.843SS**PPolyproline II helixtrans-65.9163.1-163.4-76.5-56.5000118
5A39.3Very low36.2Very low98 Ų98125.5 Ų125.581%0.8184%0.84SS**PPolyproline II helixtrans-67.2151.2-170.900000116.3
6M32.2Very low35.6Very low185 Ų185122.5 Ų122.591%0.91184%0.837SS**PPolyproline II helixtrans-70152.1157.8-73.2-169.9-4800112.7
7A34.7Very low35.4Very low99 Ų99122.7 Ų122.782%0.81883%0.833SS**  trans140.7146.6133.400000110.2
8A34.1Very low35.1Very low96 Ų96123.9 Ų123.979%0.79383%0.828SS**  cis-170153.3-18.300000105.5
9A32.8Very low34.8Very low95 Ų95126.8 Ų126.879%0.78583%0.829SS**  trans-74.8155.5176.800000113.1
10T33.6Very low34.3Very low132 Ų132123.3 Ų123.381%0.8182%0.816SS**  trans-143.2109.9155.137.40000106.2
11L33.6Very low34.2Very low165 Ų165124.7 Ų124.786%0.86481%0.814SS**  45.6117.287-69.5164.5000111.3
12G28.9Very low33.5Very low65 Ų65123.6 Ų123.667%0.6780%0.795SS**  cis98.1120.131.200000110
13E31.6Very low32.6Very low175 Ų175123 Ų12382%0.81880%0.798SS**  trans109.2121.7153.3-57-159121.700121.2
14V32.3Very low31.7Very low135 Ų135123.1 Ų123.182%0.81880%0.796SS**  69131124.7-61.80000123.8
15G26.9Very low31.3Very low77 Ų77122.2 Ų122.279%0.79480%0.796SS**  138.599.511000000118.9
16G27.9Very low30.9Very low77 Ų77125.4 Ų125.479%0.79479%0.794SS**  trans66.7169.2137.400000120.3
17V31.2Very low30.9Very low126 Ų126123.2 Ų123.276%0.76479%0.791SS**  cis-176.9137.8-4.61230000107.1
18L30.6Very low30.7Very low144 Ų144121.4 Ų121.475%0.75478%0.781SS**  trans63.8150.8145.3-61.9175.6000126.1
19H28.4Very low30.8Very low180 Ų180122.5 Ų122.583%0.83378%0.783SS**  trans80.8136.3159.1-8194.6000118.4
20G26.1Very low31.1Very low56 Ų56126.5 Ų126.558%0.57779%0.785SS**  cis173.3142.45.800000109.1
21I31.3Very low31.2Very low152 Ų152130.2 Ų130.278%0.77979%0.791SS**  103.9138121.569.6147.1000118.5
22D30.2Very low31.3Very low154 Ų154128 Ų12882%0.82478%0.783SS**  trans72.8122.6154-60.4-21.4000124.1
23G29Very low31.8Very low81 Ų81133 Ų13384%0.83579%0.794SS**  trans165.672.8163.800000115.2
24V32.3Very low31.9Very low129 Ų129130.8 Ų130.878%0.78279%0.792SS**  trans-61.1136.1175.6174.50000113.1
25V29.3Very low32.2Very low146 Ų146130 Ų13089%0.88579%0.79SS**  trans-145.2135.6137.4-174.20000109.6
26H31.3Very low33.1Very low165 Ų165132.5 Ų132.576%0.76479%0.793SS**  trans-116.6127.5-166-169.599.1000109.5
27V33.3Very low33.4Very low139 Ų139132.1 Ų132.184%0.84279%0.788SS**  trans-160.1108.1149.6-169.50000106.3
28G29.8Very low33.5Very low60 Ų60134.4 Ų134.462%0.61980%0.796SS**  63.9120.192.600000111.1
29S37.3Very low33.8Very low119 Ų119131.1 Ų131.183%0.83280%0.797SS**  cis-174.6156.543.136.70000111
30H38.9Very low34.5Very low180 Ų180128.6 Ų128.683%0.83380%0.797SS**  trans-58.6137.6-173.7-59.9-96.2000115.3
31F33.8Very low35.2Very low210 Ų210132 Ų13292%0.92181%0.807SS**  trans-95.2114.7161.8-117.5-93.9000108.9
32V37.1Very low35.4Very low118 Ų118132.9 Ų132.972%0.71581%0.812SS**  trans-96.5130.5172.8174.90000108.1
33L38.5Very low36.1Very low170 Ų170132.8 Ų132.889%0.8981%0.811SS**  trans-91.3134.2170.8-81161.5000110
34T34.6Very low36.2Very low128 Ų128131.8 Ų131.879%0.78580%0.8SS**  trans-139.9151.7164.324.30000111.2
35P38.9Very low36.8Very low118 Ų118133.1 Ų133.177%0.76680%0.798SS**  trans-97.3-178.9-155.542.1-37.1000113.8
36P46.1Very low37.4Very low131 Ų131134.2 Ų134.285%0.85179%0.793SS**  trans-91.5150.8-164.936-29.8000113.6
37G33.3Very low38.1Very low68 Ų68134.7 Ų134.770%0.70180%0.795SS**  trans-176115.7171.300000114.3
38D33.2Very low38.4Very low175 Ų175136 Ų13694%0.93680%0.797SS**  trans60.5135.4146.7-57.3-25.2000123.7
39G36.9Very low38.9Very low75 Ų75137.4 Ų137.477%0.77380%0.803SS**  trans-74.6-158.6-171.400000117.1
40P42.3Very low39.2Very low127 Ų127138.4 Ų138.483%0.82581%0.806SS**  -141.7176.253.335.3-13.3000116.8
41T42.2Very low39.7Very low128 Ų128133.3 Ų133.379%0.78580%0.802SS**  trans-43.1146.9169.2450000116.7
42L35.8Very low40.1Very low170 Ų170128.7 Ų128.789%0.8979%0.787SS**  trans-162.7144.6131.5-100.5-177.1000113.2
43L43Very low40.6Very low152 Ų152134.6 Ų134.680%0.79680%0.797SS**  trans-57.8148-174.1-76.3143.2000115.4
44G32.1Very low41Very low60 Ų60135.8 Ų135.862%0.61979%0.789SS**  trans-158.374.4165.300000110.7H46G44-H46 PolarHBondContact O-N 3.19Å; G44-H46 VanDerWaalsContact O-N 3.09Å
45E45.8Very low42.1Very low157 Ų157140.7 Ų140.773%0.73480%0.795SS**  trans-60.7103.2162.8-87.2168.8100.900109.4
46H42.1Very low42.9Very low168 Ų168142.4 Ų142.478%0.77880%0.797SS**  trans-101.5103.2159.5-72.8-79000108.6G44 L48G44-H46 PolarHBondContact O-N 3.19Å; G44-H46 VanDerWaalsContact O-N 3.09Å; H46-L48 PolarHBondContact O-N 3.09Å
47H45.4Very low43.2Very low175 Ų175138.8 Ų138.881%0.8177%0.773SS**  trans-48.7114.6164.3-82.464000109.9
48L38.6Very low44.3Very low168 Ų168139.8 Ų139.888%0.8877%0.766SS**  trans-101.5124.6167.4-75.2168.3000109.1H46H46-L48 PolarHBondContact O-N 3.09Å
49A40.7Very low45.6Very low89 Ų89136.9 Ų136.974%0.73676%0.755SS**  trans-58.3146.5-179.900000112.4G51A49-G51 PolarHBondContact O-N 3.12Å; A49-G51 VanDerWaalsContact O-N 3.12Å
50P44.7Very low46.7Very low139 Ų139136.8 Ų136.890%0.90374%0.741SS**THydrogen-bonded Turntrans-79.897.6178.931.7-29.7000109.1
51G48.9Very low47.7Very low73 Ų73134.7 Ų134.775%0.75372%0.722SS**THydrogen-bonded Turntrans-161.9-25.7-179.900000117.4A49A49-G51 PolarHBondContact O-N 3.12Å; A49-G51 VanDerWaalsContact O-N 3.12Å
52D42.9Very low48.8Very low113 Ų113132.2 Ų132.260%0.60470%0.704SS**  trans-11558.7-171.4-149.726.8000112.1R54D52-R54 PolarHBondContact O-N 3.27Å; D52-R54 IonicContact OD2-CZ 3.36Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 2.9Å; D52-R54 IonicContact OD2-NH2 2.94Å; D52-R54 PolarHBondContact OD2-NH2 3.05Å
53R45.8Very low50.2Low243 Ų243131.7 Ų131.792%0.91770%0.695SS**  trans-79.871.1169.5-151.6174.7-176.4175.90.4107.9Y55R53-Y55 PolarHBondContact O-N 2.97Å
54R47.6Very low51.4Low194 Ų194129.9 Ų129.973%0.73268%0.682SS**  trans-49.3130.3168.6-63179.6-154.9147.510.3107.6D52 L56D52-R54 PolarHBondContact O-N 3.27Å; D52-R54 IonicContact OD2-CZ 3.36Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 2.9Å; D52-R54 IonicContact OD2-NH2 2.94Å; D52-R54 PolarHBondContact OD2-NH2 3.05Å; R54-L56 PolarHBondContact O-N 2.68Å
55Y58Low53Low231 Ų231131.2 Ų131.291%0.90667%0.674SS**  trans-55.980.5177.9-63.6-93.9000110.4R53 P57R53-Y55 PolarHBondContact O-N 2.97Å; Y55-P57 WeakPolarHBondContact O-CD 3.21Å
56L55.4Low54.2Low154 Ų154129.3 Ų129.381%0.80666%0.664SS**  trans-75.1110.9164.1-166.570.9000104.9R54 T58R54-L56 PolarHBondContact O-N 2.68Å; L56-T58 PolarHBondContact O-N 3.18Å
57P53.3Low55.7Low55 Ų55121.6 Ų121.636%0.35763%0.629SS.*  trans-56.4128.6-177.821.7-31.5000108.1Y55 D61 L62Y55-P57 WeakPolarHBondContact O-CD 3.21Å; P57-D61 HydrophobicContact CB-CB 4.06Å; P57-D61 WeakPolarHBondContact CB-OD2 3.3Å; P57-L62 HydrophobicContact CG-CD1 4.16Å
58T56.1Low56.9Low90 Ų90114.5 Ų114.555%0.55260%0.597SS**  trans-58.1155.3178.859.50000109.6L56 P60 D61 L62L56-T58 PolarHBondContact O-N 3.18Å; T58-P60 VanDerWaalsContact C-N 3.29Å; T58-P60 VanDerWaalsContact O-N 3.14Å; T58-P60 WeakPolarHBondContact OG1-CG 3.5Å; T58-D61 WeakPolarHBondContact O-CB 3.14Å; T58-D61 PolarHBondContact O-N 2.93Å; T58-L62 PolarHBondContact O-N 3.08Å; T58-L62 VanDerWaalsContact O-N 3.08Å
59T60.3Low58.8Low113 Ų113112.1 Ų112.169%0.69359%0.585SS**Hα-helixtrans-51.2-34.6-179.858.60000115.5K63T59-K63 WeakPolarHBondContact O-CG 3.41Å; T59-K63 PolarHBondContact O-N 3.34Å
60P59.8Low61.1Low74 Ų74113.3 Ų113.348%0.48157%0.57SS.*Hα-helixtrans-70.6-33.9172.225.4-34.4000114T58 K63 H64T58-P60 VanDerWaalsContact C-N 3.29Å; T58-P60 VanDerWaalsContact O-N 3.14Å; T58-P60 WeakPolarHBondContact OG1-CG 3.5Å; P60-K63 PolarHBondContact O-N 3.14Å; P60-H64 PolarHBondContact O-N 3.17Å
61D63.5Low63.5Low82 Ų82107.7 Ų107.744%0.43953%0.531SS..Hα-helixtrans-67-42.8178.1-174.519.6000111P57 T58 K63 H64 L65P57-D61 HydrophobicContact CB-CB 4.06Å; P57-D61 WeakPolarHBondContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact O-CB 3.14Å; T58-D61 PolarHBondContact O-N 2.93Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.24Å; D61-H64 PolarHBondContact O-N 3.11Å; D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.23Å
62L64.6Low65.8Low76 Ų76108.4 Ų108.440%0.39851%0.511SS..Hα-helixtrans-63.5-35.1173.9-161.198.1000112.8P57 T58 K66P57-L62 HydrophobicContact CG-CD1 4.16Å; T58-L62 PolarHBondContact O-N 3.08Å; T58-L62 VanDerWaalsContact O-N 3.08Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 VanDerWaalsContact O-CG 3.3Å; L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 2.86Å; L62-K66 VanDerWaalsContact O-N 3.11Å
63K66Low68.4Low160 Ų160103 Ų10370%0.69648%0.482SS*.Hα-helixtrans-69.3-43175.3-75177.7-179-178.60111.1T59 P60 D61 K66 G67T59-K63 WeakPolarHBondContact O-CG 3.41Å; T59-K63 PolarHBondContact O-N 3.34Å; P60-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.24Å; K63-K66 PolarHBondContact O-N 2.88Å; K63-G67 PolarHBondContact O-N 2.91Å
64H67.5Low70.9Confident114 Ų11491.5 Ų91.553%0.52844%0.438SS..Hα-helixtrans-59.6-47.8174.1-107.186.8000111.6P60 D61 K66 G67 I68P60-H64 PolarHBondContact O-N 3.17Å; D61-H64 PolarHBondContact O-N 3.11Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 3.5Å; H64-G67 PolarHBondContact O-N 3.1Å; H64-G67 VanDerWaalsContact O-N 3.08Å; H64-I68 VanDerWaalsContact O-CG1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.42Å; H64-I68 PolarHBondContact O-N 2.95Å
65L67Low73.4Confident87 Ų8785.4 Ų85.446%0.45542%0.416SS..Hα-helixtrans-60.4-40.5178.5-170.263.6000112.4D61 I68 L69D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.23Å; L65-I68 PolarHBondContact O-N 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.34Å
66K71.3Confident75.3Confident118 Ų11874.4 Ų74.451%0.51337%0.373SS..Hα-helixtrans-65.3-35.8174.4-76.3176.8179.1-1780112.9L62 K63 H64 R70L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 VanDerWaalsContact O-CG 3.3Å; L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 2.86Å; L62-K66 VanDerWaalsContact O-N 3.11Å; K63-K66 PolarHBondContact O-N 2.88Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 3.5Å; K66-R70 WeakPolarHBondContact O-CD 3.5Å; K66-R70 WeakPolarHBondContact O-CG 3.34Å
67G72.1Confident77.3Confident5 Ų572.4 Ų72.45%0.05236%0.355CS..Hα-helixtrans-65.2-42.6174.100000112.1K63 H64 L69 R70 R71 E104K63-G67 PolarHBondContact O-N 2.91Å; H64-G67 PolarHBondContact O-N 3.1Å; H64-G67 VanDerWaalsContact O-N 3.08Å; G67-L69 PolarHBondContact O-N 3.08Å; G67-R70 CarbonylContact O-C 3.49Å; G67-R70 WeakPolarHBondContact O-CA 3.43Å; G67-R70 WeakPolarHBondContact O-CB 3.25Å; G67-R70 PolarHBondContact O-N 3.2Å; G67-R71 PolarHBondContact O-N 3.06Å; G67-E104 WeakPolarHBondContact CA-OE1 3.44Å
68I72Confident79.5Confident26 Ų2671 Ų7113%0.13335%0.345CS..Hα-helixtrans-59.4-46.2178-67.8163000112.3H64 L65 R70 R71 Y209 I212H64-I68 VanDerWaalsContact O-CG1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.42Å; H64-I68 PolarHBondContact O-N 2.95Å; L65-I68 PolarHBondContact O-N 3.3Å; I68-R70 PolarHBondContact O-N 3.33Å; I68-R71 WeakPolarHBondContact O-CB 3.15Å; I68-R71 PolarHBondContact O-N 3.04Å; I68-Y209 HydrophobicContact CG2-CD1 4.37Å; I68-Y209 HydrophobicContact CG2-CE1 3.77Å; I68-I212 HydrophobicContact CD1-CB 3.9Å; I68-I212 HydrophobicContact CD1-CD1 3.26Å; I68-I212 HydrophobicContact CD1-CG1 3.57Å; I68-I212 HydrophobicContact CD1-CG2 3.23Å; I68-I212 HydrophobicContact CG1-CD1 3.68Å; I68-I212 HydrophobicContact CG1-CG1 4.48Å
69L78.3Confident81.5Confident119 Ų11967.2 Ų67.262%0.62332%0.324SS*.THydrogen-bonded Turntrans-61.9-14.6178-66.2173.2000112.9L65 G67 R72L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.34Å; G67-L69 PolarHBondContact O-N 3.08Å; L69-R72 PolarHBondContact O-NH1 3.37Å; L69-R72 PolarHBondContact O-NH2 3.36Å
70R87.3Confident83.3Confident113 Ų11362.5 Ų62.543%0.42629%0.294SS..THydrogen-bonded Turntrans-104.78.2178.6-62.5174.7176.6-168.4-4.5113.2K66 G67 I68 F105K66-R70 WeakPolarHBondContact O-CD 3.5Å; K66-R70 WeakPolarHBondContact O-CG 3.34Å; G67-R70 CarbonylContact O-C 3.49Å; G67-R70 WeakPolarHBondContact O-CA 3.43Å; G67-R70 WeakPolarHBondContact O-CB 3.25Å; G67-R70 PolarHBondContact O-N 3.2Å; I68-R70 PolarHBondContact O-N 3.33Å; R70-F105 WeakPolarHBondContact CB-O 3.32Å; R70-F105 WeakPolarHBondContact CD-O 3.42Å; R70-F105 PolarHBondContact O-N 3.36Å; R70-F105 VanDerWaalsContact O-N 3.13Å
71R95.4Very high85.2Confident21 Ų2159.1 Ų59.18%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-71.6128.4171.8-68.6177.2178.5-173.9-4.6110.5G67 I68 I102 L103 V118 V200 L208 Y209G67-R71 PolarHBondContact O-N 3.06Å; I68-R71 WeakPolarHBondContact O-CB 3.15Å; I68-R71 PolarHBondContact O-N 3.04Å; R71-I102 HydrophobicContact CB-CG2 4.46Å; R71-L103 CarbonylContact C-O 3.53Å; R71-L103 VanDerWaalsContact CA-O 3.24Å; R71-L103 WeakPolarHBondContact CA-O 3.45Å; R71-V118 HydrophobicContact CG-CG2 4.04Å; R71-V200 HydrophobicContact CB-CG2 4.32Å; R71-L208 PolarHBondContact NH1-O 2.99Å; R71-L208 PolarHBondContact NH2-O 3.22Å; R71-Y209 VanDerWaalsContact CD-OH 3.25Å; R71-Y209 WeakPolarHBondContact CD-OH 3.42Å; R71-Y209 VanDerWaalsContact NH1-CD1 3.33Å; R71-Y209 VanDerWaalsContact NH1-CZ 3.29Å
72R97.3Very high86.9Confident89 Ų8955.2 Ų55.234%0.33625%0.251SS..EExtended strand (participates in β ladder)trans-139.1161.6-178.7-63.3-64.1-179.7-81.8-2.8109.4L69 L103 F105 P197 R198L69-R72 PolarHBondContact O-NH1 3.37Å; L69-R72 PolarHBondContact O-NH2 3.36Å; R72-L103 PolarHBondContact N-O 2.94Å; R72-L103 PolarHBondContact O-N 3.07Å; R72-L103 VanDerWaalsContact O-O 3.13Å; R72-F105 HydrophobicContact CB-CD2 4.03Å; R72-F105 HydrophobicContact CB-CE2 3.9Å; R72-F105 HydrophobicContact CG-CD2 4.23Å; R72-F105 HydrophobicContact CG-CE2 4.46Å; R72-P197 HydrophobicContact CG-CB 4.37Å; R72-R198 CarbonylContact C-O 3.47Å; R72-R198 VanDerWaalsContact CA-O 3.28Å; R72-R198 WeakPolarHBondContact CA-O 3.23Å; R72-R198 WeakPolarHBondContact CD-O 3.45Å
73Q98.6Very high88.5Confident0 Ų052 Ų520%023%0.233CC..EExtended strand (participates in β ladder)trans-103.6142.7159.6-43.7173.763.400107.8H81 H97 I102 R198 P199 V200Q73-H81 PolarHBondContact OE1-CD2 2.99Å; Q73-H81 PolarHBondContact OE1-NE2 3.42Å; Q73-H97 PolarHBondContact NE2-CE1 2.93Å; Q73-H97 PolarHBondContact NE2-ND1 2.85Å; Q73-H97 PolarHBondContact NE2-NE2 3.2Å; Q73-I102 HydrophobicContact CG-CD1 3.95Å; Q73-R198 HydrophobicContact CB-CB 4.36Å; Q73-R198 PolarHBondContact N-O 3.19Å; Q73-R198 PolarHBondContact O-N 2.9Å; Q73-P199 PolarHBondContact NE2-O 3.1Å; Q73-V200 HydrophobicContact CG-CG2 3.87Å
74L98.4Very high90.1Very high0 Ų044.3 Ų44.30%020%0.2CC..EExtended strand (participates in β ladder)trans-106.894.2-177.3-160.559.3000110.9C76 H81 L82 L103 F105 I115 Y156 F195 P197L74-C76 PolarHBondContact O-N 3.1Å; L74-H81 WeakPolarHBondContact O-CA 3.24Å; L74-L82 HydrophobicContact CB-CB 4.25Å; L74-L82 HydrophobicContact CD2-CD2 4.42Å; L74-L82 PolarHBondContact O-N 3.04Å; L74-L103 HydrophobicContact CB-CD1 3.71Å; L74-F105 HydrophobicContact CD1-CZ 3.77Å; L74-F105 HydrophobicContact CD2-CZ 4.25Å; L74-F105 HydrophobicContact CG-CZ 4.47Å; L74-I115 HydrophobicContact CD2-CD1 3.98Å; L74-Y156 HydrophobicContact CD1-CE2 3.76Å; L74-Y156 HydrophobicContact CD2-CD2 4.19Å; L74-Y156 HydrophobicContact CD2-CE2 3.98Å; L74-Y156 HydrophobicContact CG-CE2 4.34Å; L74-F195 HydrophobicContact CD1-CB 3.76Å; L74-F195 HydrophobicContact CD2-CB 4.33Å; L74-F195 HydrophobicContact CD2-CD1 4.11Å; L74-F195 HydrophobicContact CD2-CG 4.28Å; L74-F195 HydrophobicContact CG-CB 3.77Å; L74-F195 HydrophobicContact CG-CD1 3.71Å; L74-F195 HydrophobicContact CG-CG 4Å; L74-P197 HydrophobicContact CD1-CG 4.14Å
75Y98.6Very high91.6Very high66 Ų6640.2 Ų40.226%0.25918%0.182SC..EExtended strand (participates in β ladder)trans-87.1109.9-174.5175.7-99.9000111.6G79 F80 H81 F195 L196Y75-G79 WeakPolarHBondContact OH-CA 3.14Å; Y75-F80 CarbonylContact C-O 3.58Å; Y75-H81 AromaticContact CD2-CE1 3.9Å; Y75-F195 CarbonylContact O-C 3.58Å; Y75-F195 VanDerWaalsContact O-CA 3.31Å; Y75-F195 WeakPolarHBondContact O-CA 3.3Å; Y75-L196 HydrophobicContact CD1-CB 4.36Å; Y75-L196 PolarHBondContact N-O 2.75Å; Y75-L196 PolarHBondContact O-N 3.41Å
76C98.7Very high93.1Very high0 Ų040.1 Ų40.10%019%0.186CC..EExtended strand (participates in β ladder)trans-68.7142.3171.7-166.50000111.1L74 T78 G79 F80 L174 F192 H194 F195L74-C76 PolarHBondContact O-N 3.1Å; C76-T78 PolarHBondContact O-N 2.6Å; C76-T78 PolarHBondContact SG-OG1 2.97Å; C76-G79 PolarHBondContact O-N 3.32Å; C76-F80 WeakPolarHBondContact CB-O 3.48Å; C76-F80 PolarHBondContact N-O 3.13Å; C76-L174 HydrophobicContact CB-CB 4.22Å; C76-L174 HydrophobicContact CB-CD1 4.05Å; C76-F192 PolarHBondContact SG-O 3Å; C76-H194 CarbonylContact C-O 3.55Å; C76-H194 WeakPolarHBondContact CA-O 3.32Å; C76-F195 HydrophobicContact CB-CD1 3.7Å; C76-F195 HydrophobicContact CB-CE1 3.45Å; C76-F195 VanDerWaalsContact CB-CE1 3.45Å; C76-F195 HydrophobicContact CB-CZ 4.02Å
77R97.9Very high94.4Very high113 Ų11340 Ų4043%0.42619%0.192SC..THydrogen-bonded Turntrans-59.3-15.3175.4-167.769.9-172.2-148.33.8113.4G79 Y153 K191 H194R77-G79 PolarHBondContact O-N 2.82Å; R77-Y153 HydrophobicContact CB-CD1 4.27Å; R77-Y153 HydrophobicContact CB-CE1 3.77Å; R77-Y153 WeakPolarHBondContact CD-OH 3.32Å; R77-Y153 HydrophobicContact CG-CE1 4.27Å; R77-Y153 PolarHBondContact NH1-OH 3.5Å; R77-K191 HydrophobicContact CB-CB 4.4Å; R77-K191 WeakPolarHBondContact CB-O 3.35Å; R77-K191 HydrophobicContact CG-CB 4.2Å; R77-K191 HydrophobicContact CG-CG 4.42Å; R77-H194 HydrophobicContact CB-CB 3.93Å; R77-H194 PolarHBondContact N-O 3.42Å
78T98.3Very high95.6Very high25 Ų2540.5 Ų40.515%0.15320%0.196CC..THydrogen-bonded Turntrans-74-8172.254.40000113.9C76 L174 N175 K176 F192C76-T78 PolarHBondContact O-N 2.6Å; C76-T78 PolarHBondContact SG-OG1 2.97Å; T78-L174 WeakPolarHBondContact CG2-O 3.28Å; T78-L174 PolarHBondContact OG1-O 3.37Å; T78-N175 PolarHBondContact OG1-O 2.76Å; T78-K176 HydrophobicContact CG2-CG 4.31Å; T78-F192 HydrophobicContact CG2-CB 3.85Å
79G98.4Very high96.9Very high11 Ų1142.2 Ų42.211%0.11321%0.208CC..THydrogen-bonded Turntrans102.121.8174.700000114.9Y75 C76 R77 R94Y75-G79 WeakPolarHBondContact OH-CA 3.14Å; C76-G79 PolarHBondContact O-N 3.32Å; R77-G79 PolarHBondContact O-N 2.82Å; G79-R94 PolarHBondContact O-NH1 2.97Å
80F98.9Very high97.9Very high13 Ų1336.7 Ų36.76%0.05718%0.179CC..EExtended strand (participates in β ladder)trans-132.1144.5-176.3-60.6-97.4000111.2Y75 C76 T93 R94 L174 K176 D177Y75-F80 CarbonylContact C-O 3.58Å; C76-F80 WeakPolarHBondContact CB-O 3.48Å; C76-F80 PolarHBondContact N-O 3.13Å; F80-T93 CarbonylContact C-O 3.56Å; F80-T93 WeakPolarHBondContact CA-O 3.4Å; F80-R94 HydrophobicContact CD1-CG 3.8Å; F80-R94 HydrophobicContact CE1-CG 3.68Å; F80-R94 HydrophobicContact CZ-CG 4.31Å; F80-R94 VanDerWaalsContact CZ-CZ 3.5Å; F80-R94 VanDerWaalsContact CZ-NH2 3.31Å; F80-L174 HydrophobicContact CB-CD1 4.06Å; F80-K176 WeakPolarHBondContact CE2-O 3.47Å; F80-K176 WeakPolarHBondContact CZ-O 3.34Å; F80-D177 VanDerWaalsContact CZ-C 3.41Å
81H98.9Very high98.4Very high4 Ų434.7 Ų34.72%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-88.4134.6167-58.183.8000109.9Q73 L74 Y75 G92 T93 D96 R198Q73-H81 PolarHBondContact OE1-CD2 2.99Å; Q73-H81 PolarHBondContact OE1-NE2 3.42Å; L74-H81 WeakPolarHBondContact O-CA 3.24Å; Y75-H81 AromaticContact CD2-CE1 3.9Å; H81-G92 CarbonylContact O-C 3.55Å; H81-G92 VanDerWaalsContact O-CA 3.31Å; H81-G92 WeakPolarHBondContact O-CA 3.49Å; H81-T93 HydrophobicContact CB-CG2 4.22Å; H81-T93 PolarHBondContact N-O 2.76Å; H81-T93 PolarHBondContact O-N 3.13Å; H81-D96 IonicContact CE1-OD1 2.74Å; H81-D96 IonicContact NE2-OD1 3.32Å; H81-D96 PolarHBondContact NE2-OD1 3.48Å; H81-R198 PolarHBondContact CE1-NH1 3.22Å; H81-R198 PolarHBondContact NE2-NH1 2.85Å
82L98.9Very high98.6Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-65.3131.7173.6-169.494.2000110.2L74 V90 G101 L103 L124 V172 L174 F195L74-L82 HydrophobicContact CB-CB 4.25Å; L74-L82 HydrophobicContact CD2-CD2 4.42Å; L74-L82 PolarHBondContact O-N 3.04Å; L82-V90 HydrophobicContact CD1-CG1 3.74Å; L82-V90 HydrophobicContact CG-CG1 4.22Å; L82-G101 WeakPolarHBondContact O-CA 3.46Å; L82-L103 HydrophobicContact CB-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD1 4.08Å; L82-L124 HydrophobicContact CD2-CD1 4.27Å; L82-L124 HydrophobicContact CD2-CD2 3.88Å; L82-V172 HydrophobicContact CD1-CG1 4.42Å; L82-L174 HydrophobicContact CB-CD1 4.43Å; L82-L174 HydrophobicContact CD1-CD1 4.18Å; L82-L174 HydrophobicContact CD1-CD2 4.02Å; L82-L174 HydrophobicContact CD1-CG 4.15Å; L82-F195 HydrophobicContact CD1-CE1 4.45Å
83E98.9Very high98.7Very high7 Ų731.4 Ų31.43%0.03317%0.17CC..EExtended strand (participates in β ladder)trans-117.9146.8171.8-60.8-168.8116.400111.1L85 V90 Q91 T93 S98 H100E83-L85 HydrophobicContact CB-CD2 4.41Å; E83-V90 WeakPolarHBondContact O-CA 3.27Å; E83-Q91 HydrophobicContact CB-CG 4Å; E83-Q91 PolarHBondContact N-O 3.35Å; E83-Q91 PolarHBondContact O-N 3.07Å; E83-Q91 VanDerWaalsContact O-N 3.13Å; E83-Q91 PolarHBondContact OE2-NE2 3.26Å; E83-T93 HydrophobicContact CG-CG2 3.58Å; E83-T93 WeakPolarHBondContact OE2-CB 3.37Å; E83-S98 WeakPolarHBondContact OE1-CB 3.28Å; E83-S98 PolarHBondContact OE1-OG 2.9Å; E83-H100 WeakPolarHBondContact CA-O 3.34Å; E83-H100 HydrophobicContact CB-CB 4.07Å; E83-H100 HydrophobicContact CG-CB 4.37Å
84I98.9Very high98.7Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-121.7104.8170.8-51.6172.7000107.3H100 L103 S120 L122 L124I84-H100 PolarHBondContact N-O 3.37Å; I84-L103 HydrophobicContact CD1-CD2 3.94Å; I84-L103 HydrophobicContact CG1-CD2 4.15Å; I84-S120 WeakPolarHBondContact O-CB 3.38Å; I84-S120 PolarHBondContact O-OG 2.98Å; I84-L122 HydrophobicContact CG2-CB 3.9Å; I84-L122 HydrophobicContact CG2-CD1 4.48Å; I84-L124 HydrophobicContact CD1-CB 3.87Å
85L98.8Very high98.7Very high28 Ų2845.7 Ų45.715%0.14723%0.228CC..  trans-78.4159-175.9-60.1-171.3000111.9E83 D87 G88 T89 Q91 H100 L122E83-L85 HydrophobicContact CB-CD2 4.41Å; L85-D87 WeakPolarHBondContact CB-OD1 2.92Å; L85-D87 PolarHBondContact O-N 3.28Å; L85-G88 PolarHBondContact O-N 2.77Å; L85-G88 VanDerWaalsContact O-N 3.07Å; L85-T89 WeakPolarHBondContact CB-O 3.41Å; L85-T89 HydrophobicContact CD1-CG2 4.43Å; L85-T89 PolarHBondContact N-O 3.21Å; L85-Q91 HydrophobicContact CD1-CG 4.45Å; L85-Q91 HydrophobicContact CG-CG 4.46Å; L85-H100 HydrophobicContact CD2-CB 3.76Å; L85-H100 VanDerWaalsContact CD2-CD2 3.46Å; L85-H100 WeakPolarHBondContact CD2-CD2 3.41Å; L85-L122 WeakPolarHBondContact O-CD1 3.27Å
86P98.6Very high98.7Very high84 Ų8444.3 Ų44.355%0.54523%0.225SC..THydrogen-bonded Turntrans-63.3-22.1179.9-24.335.4000115.1G88P86-G88 PolarHBondContact O-N 2.94Å
87D98.5Very high98.6Very high116 Ų11645.2 Ų45.262%0.6223%0.229SC*.THydrogen-bonded Turntrans-80.9-0.5175.869.5-17.7000113.1L85 T89L85-D87 WeakPolarHBondContact CB-OD1 2.92Å; L85-D87 PolarHBondContact O-N 3.28Å; D87-T89 VanDerWaalsContact CG-OG1 3.27Å; D87-T89 WeakPolarHBondContact OD1-CB 3.29Å; D87-T89 PolarHBondContact OD1-N 3.41Å; D87-T89 PolarHBondContact OD1-OG1 3.18Å; D87-T89 PolarHBondContact OD2-OG1 2.81Å
88G98.6Very high98.7Very high15 Ų1540.4 Ų40.416%0.15521%0.213CC..SBendtrans87.3-0.6-175.900000114.3L85 P86 Y133 G134L85-G88 PolarHBondContact O-N 2.77Å; L85-G88 VanDerWaalsContact O-N 3.07Å; P86-G88 PolarHBondContact O-N 2.94Å; G88-Y133 CarbonylContact O-C 3.55Å; G88-G134 PolarHBondContact O-N 2.71Å
89T98.8Very high98.6Very high62 Ų6245.8 Ų45.838%0.3823%0.23SC..  trans-71.9136.1176.2-60.40000110.7L85 D87L85-T89 WeakPolarHBondContact CB-O 3.41Å; L85-T89 HydrophobicContact CD1-CG2 4.43Å; L85-T89 PolarHBondContact N-O 3.21Å; D87-T89 VanDerWaalsContact CG-OG1 3.27Å; D87-T89 WeakPolarHBondContact OD1-CB 3.29Å; D87-T89 PolarHBondContact OD1-N 3.41Å; D87-T89 PolarHBondContact OD1-OG1 3.18Å; D87-T89 PolarHBondContact OD2-OG1 2.81Å
90V98.9Very high98.6Very high3 Ų347.4 Ų47.42%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-106131.2171.9176.40000109.3L82 E83 L124 L132 P180L82-V90 HydrophobicContact CD1-CG1 3.74Å; L82-V90 HydrophobicContact CG-CG1 4.22Å; E83-V90 WeakPolarHBondContact O-CA 3.27Å; V90-L124 HydrophobicContact CG1-CD1 4.1Å; V90-L124 HydrophobicContact CG2-CD1 3.75Å; V90-L132 HydrophobicContact CB-CB 4Å; V90-L132 HydrophobicContact CG1-CB 3.98Å; V90-L132 HydrophobicContact CG1-CD1 4.14Å; V90-L132 HydrophobicContact CG2-CB 4.23Å; V90-P180 WeakPolarHBondContact O-CD 3.15Å; V90-P180 VanDerWaalsContact O-CG 3.25Å; V90-P180 WeakPolarHBondContact O-CG 3.48Å
91Q98.8Very high98.6Very high71 Ų7146.8 Ų46.833%0.33223%0.232SC..EExtended strand (participates in β ladder)trans-147.7179.7-179.568.4177.67.300112.3E83 L85E83-Q91 HydrophobicContact CB-CG 4Å; E83-Q91 PolarHBondContact N-O 3.35Å; E83-Q91 PolarHBondContact O-N 3.07Å; E83-Q91 VanDerWaalsContact O-N 3.13Å; E83-Q91 PolarHBondContact OE2-NE2 3.26Å; L85-Q91 HydrophobicContact CD1-CG 4.45Å; L85-Q91 HydrophobicContact CG-CG 4.46Å
92G98.8Very high98.6Very high14 Ų1446.6 Ų46.614%0.14423%0.231CC..EExtended strand (participates in β ladder)trans-117.7136.2174.300000112H81 G178H81-G92 CarbonylContact O-C 3.55Å; H81-G92 VanDerWaalsContact O-CA 3.31Å; H81-G92 WeakPolarHBondContact O-CA 3.49Å; G92-G178 VanDerWaalsContact CA-O 3.23Å; G92-G178 WeakPolarHBondContact CA-O 3.35Å; G92-G178 PolarHBondContact N-O 2.78Å
93T98.8Very high98.6Very high27 Ų2746.6 Ų46.617%0.16623%0.231CC..EExtended strand (participates in β ladder)trans-122.3150.2173.4-173.10000111.7F80 H81 E83 K95F80-T93 CarbonylContact C-O 3.56Å; F80-T93 WeakPolarHBondContact CA-O 3.4Å; H81-T93 HydrophobicContact CB-CG2 4.22Å; H81-T93 PolarHBondContact N-O 2.76Å; H81-T93 PolarHBondContact O-N 3.13Å; E83-T93 HydrophobicContact CG-CG2 3.58Å; E83-T93 WeakPolarHBondContact OE2-CB 3.37Å; T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 HydrophobicContact CG2-CB 4.37Å; T93-K95 WeakPolarHBondContact OG1-CB 3.42Å; T93-K95 PolarHBondContact OG1-N 3.39Å
94R98.7Very high98.5Very high163 Ų16348.6 Ų48.662%0.61524%0.24SC*.  trans-84.2-10.6170.1-62.1-172.3177.9-78.92.7112.6G79 F80 D96G79-R94 PolarHBondContact O-NH1 2.97Å; F80-R94 HydrophobicContact CD1-CG 3.8Å; F80-R94 HydrophobicContact CE1-CG 3.68Å; F80-R94 HydrophobicContact CZ-CG 4.31Å; F80-R94 VanDerWaalsContact CZ-CZ 3.5Å; F80-R94 VanDerWaalsContact CZ-NH2 3.31Å; R94-D96 PolarHBondContact O-N 2.92Å
95K98.6Very high98.4Very high137 Ų13749.6 Ų49.660%0.59625%0.245SC*.  trans-73.4110.6-175.7-176.5178.8177.9-179.50110T93 S98T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 HydrophobicContact CG2-CB 4.37Å; T93-K95 WeakPolarHBondContact OG1-CB 3.42Å; T93-K95 PolarHBondContact OG1-N 3.39Å; K95-S98 PolarHBondContact O-N 3.26Å
96D98.4Very high98.2Very high37 Ų3750 Ų5020%0.19825%0.247CC..THydrogen-bonded Turntrans-63.5136.2170.1-169.965.7000110.6H81 R94 S98 R198 R204H81-D96 IonicContact CE1-OD1 2.74Å; H81-D96 IonicContact NE2-OD1 3.32Å; H81-D96 PolarHBondContact NE2-OD1 3.48Å; R94-D96 PolarHBondContact O-N 2.92Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 2.95Å; D96-R198 IonicContact OD1-CZ 2.71Å; D96-R198 VanDerWaalsContact OD1-CZ 3.23Å; D96-R198 IonicContact OD1-NH1 3.92Å; D96-R198 PolarHBondContact OD1-NH1 3.46Å; D96-R198 IonicContact OD1-NH2 3.96Å; D96-R198 PolarHBondContact OD1-NH2 2.92Å; D96-R204 PolarHBondContact O-NH2 3.16Å; D96-R204 IonicContact OD2-CZ 3.19Å; D96-R204 IonicContact OD2-NH1 2.77Å; D96-R204 PolarHBondContact OD2-NH1 3.18Å; D96-R204 IonicContact OD2-NH2 2.81Å; D96-R204 PolarHBondContact OD2-NH2 3.36Å
97H98.3Very high98.1Very high19 Ų1949.6 Ų49.69%0.08825%0.246CC..THydrogen-bonded Turntrans56.238.6-172.8-64.477.9000113.1Q73 D201 R204 V205Q73-H97 PolarHBondContact NE2-CE1 2.93Å; Q73-H97 PolarHBondContact NE2-ND1 2.85Å; Q73-H97 PolarHBondContact NE2-NE2 3.2Å; H97-D201 PolarHBondContact NE2-N 3.28Å; H97-R204 HydrophobicContact CB-CB 4.05Å; H97-R204 PolarHBondContact ND1-NH1 2.82Å; H97-V205 HydrophobicContact CB-CG1 4.14Å; H97-V205 WeakPolarHBondContact O-CG1 3.47Å
98S98.3Very high97.9Very high12 Ų1247.7 Ų47.78%0.08424%0.235CC..  trans-62141.6168.6-167.80000110.8E83 K95 D96 H100 G101 I102E83-S98 WeakPolarHBondContact OE1-CB 3.28Å; E83-S98 PolarHBondContact OE1-OG 2.9Å; K95-S98 PolarHBondContact O-N 3.26Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 2.95Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.68Å; S98-G101 PolarHBondContact O-N 3.33Å; S98-I102 PolarHBondContact O-N 2.78Å
99R97.6Very high97.7Very high138 Ų13849.3 Ų49.352%0.52125%0.247SC..G310 helixtrans-53.8-45.1-177.3-179.1178176.4-179.4-4.4112.1G101 D119R99-G101 VanDerWaalsContact C-N 3.33Å; R99-D119 HydrophobicContact CG-CB 4.18Å; R99-D119 IonicContact CZ-OD1 3.23Å; R99-D119 IonicContact CZ-OD2 2.9Å; R99-D119 VanDerWaalsContact NE-CG 3.29Å; R99-D119 IonicContact NE-OD1 2.74Å; R99-D119 PolarHBondContact NE-OD1 2.87Å; R99-D119 IonicContact NE-OD2 2.6Å; R99-D119 PolarHBondContact NE-OD2 3.36Å; R99-D119 IonicContact NH2-OD1 3.01Å; R99-D119 PolarHBondContact NH2-OD1 3.18Å; R99-D119 IonicContact NH2-OD2 3.05Å
100H98.5Very high97.6Very high46 Ų4653.7 Ų53.721%0.21327%0.274CS..G310 helixtrans-86.9-4.2-179.3-50.9-59.2000113.6E83 I84 L85 S98 D119E83-H100 WeakPolarHBondContact CA-O 3.34Å; E83-H100 HydrophobicContact CB-CB 4.07Å; E83-H100 HydrophobicContact CG-CB 4.37Å; I84-H100 PolarHBondContact N-O 3.37Å; L85-H100 HydrophobicContact CD2-CB 3.76Å; L85-H100 VanDerWaalsContact CD2-CD2 3.46Å; L85-H100 WeakPolarHBondContact CD2-CD2 3.41Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.68Å; H100-D119 IonicContact CE1-OD2 3.43Å; H100-D119 PolarHBondContact CE1-OD2 2.66Å; H100-D119 IonicContact ND1-OD2 3.7Å; H100-D119 PolarHBondContact ND1-OD2 2.87Å
101G98.5Very high97.4Very high0 Ų055.3 Ų55.30%029%0.29CS..G310 helixtrans-94.12.5176.300000114.1L82 S98 R99L82-G101 WeakPolarHBondContact O-CA 3.46Å; S98-G101 PolarHBondContact O-N 3.33Å; R99-G101 VanDerWaalsContact C-N 3.33Å
102I98.4Very high97.4Very high0 Ų053.6 Ų53.60%028%0.284CS..  trans-87.4116.2172.6-52.2-48.1000108.7R71 Q73 S98 V118 V200 V205 L208R71-I102 HydrophobicContact CB-CG2 4.46Å; Q73-I102 HydrophobicContact CG-CD1 3.95Å; S98-I102 PolarHBondContact O-N 2.78Å; I102-V118 HydrophobicContact CB-CB 4.48Å; I102-V118 HydrophobicContact CG2-CB 4.17Å; I102-V118 HydrophobicContact CG2-CG2 3.92Å; I102-V118 WeakPolarHBondContact O-CB 3.47Å; I102-V118 PolarHBondContact O-N 3.28Å; I102-V200 HydrophobicContact CD1-CG1 3.87Å; I102-V200 HydrophobicContact CD1-CG2 4.08Å; I102-V200 HydrophobicContact CG2-CG1 4.19Å; I102-V200 HydrophobicContact CG2-CG2 4.21Å; I102-V205 HydrophobicContact CD1-CG1 4.24Å; I102-V205 HydrophobicContact CD1-CG2 4.39Å; I102-V205 HydrophobicContact CG1-CB 4.48Å; I102-V205 HydrophobicContact CG1-CG1 4.07Å; I102-V205 HydrophobicContact CG1-CG2 4.25Å; I102-L208 HydrophobicContact CB-CD1 3.7Å; I102-L208 HydrophobicContact CG1-CD1 3.63Å; I102-L208 HydrophobicContact CG2-CD1 4.1Å
103L98.4Very high97.3Very high0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-123137.8-170.3-51.8174.3000110.4R71 R72 L74 L82 I84 F105 I115 K116R71-L103 CarbonylContact C-O 3.53Å; R71-L103 VanDerWaalsContact CA-O 3.24Å; R71-L103 WeakPolarHBondContact CA-O 3.45Å; R72-L103 PolarHBondContact N-O 2.94Å; R72-L103 PolarHBondContact O-N 3.07Å; R72-L103 VanDerWaalsContact O-O 3.13Å; L74-L103 HydrophobicContact CB-CD1 3.71Å; L82-L103 HydrophobicContact CB-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD1 4.08Å; I84-L103 HydrophobicContact CD1-CD2 3.94Å; I84-L103 HydrophobicContact CG1-CD2 4.15Å; L103-F105 HydrophobicContact CB-CE2 4.35Å; L103-I115 HydrophobicContact CB-CG2 3.85Å; L103-I115 HydrophobicContact CD1-CG2 3.86Å; L103-I115 HydrophobicContact CD2-CG2 4.43Å; L103-I115 HydrophobicContact CG-CG2 4.26Å; L103-K116 CarbonylContact C-O 3.51Å; L103-K116 VanDerWaalsContact CA-O 3.27Å; L103-K116 WeakPolarHBondContact CA-O 3.47Å
104E97.6Very high97.3Very high48 Ų4852.1 Ų52.122%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-96.4126171.8-176.5-179.7169.800110.4G67 I106 K116 V118G67-E104 WeakPolarHBondContact CA-OE1 3.44Å; E104-I106 HydrophobicContact CG-CG1 4.46Å; E104-K116 PolarHBondContact N-O 3.29Å; E104-K116 PolarHBondContact O-N 3.48Å; E104-V118 HydrophobicContact CB-CG2 4.09Å
105F96Very high97.3Very high21 Ų2144.4 Ų44.49%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-91.4120.8177.1-82.5-120.7000110.8R70 R72 L74 L103 I113 I115 Y156R70-F105 WeakPolarHBondContact CB-O 3.32Å; R70-F105 WeakPolarHBondContact CD-O 3.42Å; R70-F105 PolarHBondContact O-N 3.36Å; R70-F105 VanDerWaalsContact O-N 3.13Å; R72-F105 HydrophobicContact CB-CD2 4.03Å; R72-F105 HydrophobicContact CB-CE2 3.9Å; R72-F105 HydrophobicContact CG-CD2 4.23Å; R72-F105 HydrophobicContact CG-CE2 4.46Å; L74-F105 HydrophobicContact CD1-CZ 3.77Å; L74-F105 HydrophobicContact CD2-CZ 4.25Å; L74-F105 HydrophobicContact CG-CZ 4.47Å; L103-F105 HydrophobicContact CB-CE2 4.35Å; F105-I113 HydrophobicContact CD1-CD1 3.57Å; F105-I113 HydrophobicContact CE1-CD1 3.52Å; F105-I115 HydrophobicContact CE1-CD1 4.32Å; F105-I115 HydrophobicContact CE1-CG1 4.26Å; F105-I115 HydrophobicContact CE2-CG1 4.43Å; F105-I115 HydrophobicContact CE2-CG2 4.29Å; F105-I115 HydrophobicContact CZ-CD1 4.09Å; F105-I115 HydrophobicContact CZ-CG1 4.17Å; F105-Y156 HydrophobicContact CE1-CE1 4.07Å
106I95.9Very high97.3Very high38 Ų3840.5 Ų40.520%0.19523%0.225CC..EExtended strand (participates in β ladder)trans-109108-178.9-58.1165.5000108.2E104 L108 I113 S114 K116 Y123E104-I106 HydrophobicContact CG-CG1 4.46Å; I106-L108 HydrophobicContact CG2-CD2 4.04Å; I106-L108 PolarHBondContact O-N 3.09Å; I106-I113 CarbonylContact O-C 3.48Å; I106-I113 VanDerWaalsContact O-CA 3.29Å; I106-I113 WeakPolarHBondContact O-CA 3.33Å; I106-S114 PolarHBondContact N-O 2.98Å; I106-S114 PolarHBondContact O-N 2.79Å; I106-K116 HydrophobicContact CD1-CB 4.2Å; I106-Y123 HydrophobicContact CD1-CD1 4.42Å; I106-Y123 HydrophobicContact CD1-CE1 3.71Å
107S94.9Very high97.3Very high74 Ų7438.8 Ų38.852%0.51722%0.216SC..EExtended strand (participates in β ladder)trans-72.5116.6174.7179.70000110.1
108L95.3Very high97.3Very high77 Ų7739.3 Ų39.340%0.40322%0.22SC..EExtended strand (participates in β ladder)trans-96.6-42.4179.2-62.1178.7000112I106 L112 S114 L138 V143I106-L108 HydrophobicContact CG2-CD2 4.04Å; I106-L108 PolarHBondContact O-N 3.09Å; L108-L112 HydrophobicContact CB-CB 4.46Å; L108-L112 PolarHBondContact N-O 3.38Å; L108-S114 WeakPolarHBondContact CD1-OG 3.4Å; L108-L138 HydrophobicContact CD2-CD2 4.4Å; L108-V143 HydrophobicContact CD1-CB 4.28Å; L108-V143 HydrophobicContact CD1-CG1 3.88Å; L108-V143 HydrophobicContact CD1-CG2 3.62Å
109A95.4Very high97.2Very high49 Ų4940.6 Ų40.641%0.40523%0.226SC..EExtended strand (participates in β ladder)trans-156.1178.1173.900000109.2G111 L112A109-G111 PolarHBondContact O-N 3.25Å; A109-L112 HydrophobicContact CB-CB 4.17Å; A109-L112 HydrophobicContact CB-CD1 4.2Å; A109-L112 HydrophobicContact CB-CG 4.4Å; A109-L112 PolarHBondContact N-O 3.15Å; A109-L112 PolarHBondContact O-N 2.67Å; A109-L112 VanDerWaalsContact O-O 3.07Å
110V94.9Very high97.2Very high154 Ų15435.1 Ų35.193%0.93321%0.209SC*.THydrogen-bonded Turntrans-56.9117.8175.2-179.70000109.8L112V110-L112 PolarHBondContact O-N 2.69Å
111G95.2Very high97.2Very high36 Ų3634.3 Ų34.337%0.37121%0.213SC..THydrogen-bonded Turntrans71.46.6-178.700000115.4A109 R145 E146A109-G111 PolarHBondContact O-N 3.25Å; G111-R145 CarbonylContact O-C 3.44Å; G111-R145 VanDerWaalsContact O-CA 3.3Å; G111-R145 WeakPolarHBondContact O-CA 3.27Å; G111-E146 PolarHBondContact O-N 3.21Å
112L98.1Very high97.2Very high36 Ų3635.1 Ų35.119%0.18822%0.218CC..EExtended strand (participates in β ladder)trans-117.6127176-61.4-175.2000110.9L108 A109 V110 V143 F144 R145 N159L108-L112 HydrophobicContact CB-CB 4.46Å; L108-L112 PolarHBondContact N-O 3.38Å; A109-L112 HydrophobicContact CB-CB 4.17Å; A109-L112 HydrophobicContact CB-CD1 4.2Å; A109-L112 HydrophobicContact CB-CG 4.4Å; A109-L112 PolarHBondContact N-O 3.15Å; A109-L112 PolarHBondContact O-N 2.67Å; A109-L112 VanDerWaalsContact O-O 3.07Å; V110-L112 PolarHBondContact O-N 2.69Å; L112-V143 HydrophobicContact CB-CG1 4.32Å; L112-F144 WeakPolarHBondContact CA-O 3.35Å; L112-R145 HydrophobicContact CD2-CB 4.33Å; L112-R145 HydrophobicContact CD2-CG 3.37Å; L112-N159 HydrophobicContact CD2-CB 4.48Å
113I98Very high97.2Very high9 Ų937.1 Ų37.15%0.04623%0.225CC..EExtended strand (participates in β ladder)trans-132.7160.9-178.168.2161.7000111.8F105 I106 I115 F144 E146 Y156F105-I113 HydrophobicContact CD1-CD1 3.57Å; F105-I113 HydrophobicContact CE1-CD1 3.52Å; I106-I113 CarbonylContact O-C 3.48Å; I106-I113 VanDerWaalsContact O-CA 3.29Å; I106-I113 WeakPolarHBondContact O-CA 3.33Å; I113-I115 HydrophobicContact CD1-CD1 3.96Å; I113-I115 HydrophobicContact CD1-CG1 3.73Å; I113-I115 HydrophobicContact CG1-CG1 4.47Å; I113-F144 HydrophobicContact CG1-CB 4.41Å; I113-F144 PolarHBondContact N-O 3.34Å; I113-F144 PolarHBondContact O-N 3.23Å; I113-E146 HydrophobicContact CD1-CB 4.33Å; I113-E146 HydrophobicContact CG1-CB 4.29Å; I113-E146 HydrophobicContact CG2-CB 4.34Å; I113-Y156 HydrophobicContact CD1-CD1 3.7Å; I113-Y156 HydrophobicContact CD1-CE1 3.37Å; I113-Y156 HydrophobicContact CG1-CD1 4.34Å; I113-Y156 HydrophobicContact CG1-CE1 4.36Å
114S98.5Very high97.3Very high0 Ų037.1 Ų37.10%023%0.225CC..EExtended strand (participates in β ladder)trans-118.9151.9156.1-70.60000109.8I106 L108 L138 C142I106-S114 PolarHBondContact N-O 2.98Å; I106-S114 PolarHBondContact O-N 2.79Å; L108-S114 WeakPolarHBondContact CD1-OG 3.4Å; S114-L138 WeakPolarHBondContact OG-CD1 3.4Å; S114-C142 WeakPolarHBondContact CB-O 3.24Å; S114-C142 PolarHBondContact OG-O 3.06Å
115I98.8Very high97.3Very high1 Ų134.8 Ų34.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-120.7124-177.9-58.4171.2000106.7L74 L103 F105 I113 Y123 L124 Y156L74-I115 HydrophobicContact CD2-CD1 3.98Å; L103-I115 HydrophobicContact CB-CG2 3.85Å; L103-I115 HydrophobicContact CD1-CG2 3.86Å; L103-I115 HydrophobicContact CD2-CG2 4.43Å; L103-I115 HydrophobicContact CG-CG2 4.26Å; F105-I115 HydrophobicContact CE1-CD1 4.32Å; F105-I115 HydrophobicContact CE1-CG1 4.26Å; F105-I115 HydrophobicContact CE2-CG1 4.43Å; F105-I115 HydrophobicContact CE2-CG2 4.29Å; F105-I115 HydrophobicContact CZ-CD1 4.09Å; F105-I115 HydrophobicContact CZ-CG1 4.17Å; I113-I115 HydrophobicContact CD1-CD1 3.96Å; I113-I115 HydrophobicContact CD1-CG1 3.73Å; I113-I115 HydrophobicContact CG1-CG1 4.47Å; I115-Y123 CarbonylContact O-C 3.52Å; I115-Y123 WeakPolarHBondContact O-CA 3.23Å; I115-L124 HydrophobicContact CB-CB 4.16Å; I115-L124 HydrophobicContact CD1-CD2 4.12Å; I115-L124 PolarHBondContact O-N 2.91Å; I115-Y156 HydrophobicContact CD1-CD1 4.42Å
116K98.6Very high97.5Very high56 Ų5633.8 Ų33.824%0.24321%0.21CC..EExtended strand (participates in β ladder)trans-117.3132.3-178.7-169.7-173.7-179.3-171.80110.3L103 E104 I106 V118 G121 L122 Y123L103-K116 CarbonylContact C-O 3.51Å; L103-K116 VanDerWaalsContact CA-O 3.27Å; L103-K116 WeakPolarHBondContact CA-O 3.47Å; E104-K116 PolarHBondContact N-O 3.29Å; E104-K116 PolarHBondContact O-N 3.48Å; I106-K116 HydrophobicContact CD1-CB 4.2Å; K116-V118 PolarHBondContact O-N 2.94Å; K116-G121 WeakPolarHBondContact CE-O 3.24Å; K116-L122 CarbonylContact C-O 3.48Å; K116-L122 WeakPolarHBondContact CA-O 3.43Å; K116-Y123 HydrophobicContact CB-CD1 3.99Å; K116-Y123 HydrophobicContact CB-CE1 4.09Å; K116-Y123 HydrophobicContact CD-CD1 4.47Å; K116-Y123 HydrophobicContact CD-CE1 3.9Å; K116-Y123 HydrophobicContact CG-CD1 4.1Å; K116-Y123 HydrophobicContact CG-CE1 4.04Å; K116-Y123 HydrophobicContact CG-CG 4.48Å
117G98.5Very high97.6Very high1 Ų133.4 Ų33.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-67122.8168.800000109.5G121 L122G117-G121 VanDerWaalsContact O-CA 3.27Å; G117-G121 WeakPolarHBondContact O-CA 3.43Å; G117-G121 PolarHBondContact O-N 2.97Å; G117-L122 PolarHBondContact N-O 2.78Å
118V97.1Very high97.8Very high29 Ų2934.4 Ų34.418%0.17621%0.208CC..THydrogen-bonded Turntrans-65.7-44.4-178.3173.50000110.5R71 I102 E104 K116 L208R71-V118 HydrophobicContact CG-CG2 4.04Å; I102-V118 HydrophobicContact CB-CB 4.48Å; I102-V118 HydrophobicContact CG2-CB 4.17Å; I102-V118 HydrophobicContact CG2-CG2 3.92Å; I102-V118 WeakPolarHBondContact O-CB 3.47Å; I102-V118 PolarHBondContact O-N 3.28Å; E104-V118 HydrophobicContact CB-CG2 4.09Å; K116-V118 PolarHBondContact O-N 2.94Å; V118-L208 HydrophobicContact CG1-CB 4.16Å; V118-L208 HydrophobicContact CG1-CD1 4.36Å; V118-L208 HydrophobicContact CG1-CD2 4.48Å
119D97.3Very high97.9Very high39 Ų3937 Ų3721%0.20922%0.216CC..THydrogen-bonded Turntrans-74.9-49.4-178.7-176.671.5000113R99 H100 G121 L208R99-D119 HydrophobicContact CG-CB 4.18Å; R99-D119 IonicContact CZ-OD1 3.23Å; R99-D119 IonicContact CZ-OD2 2.9Å; R99-D119 VanDerWaalsContact NE-CG 3.29Å; R99-D119 IonicContact NE-OD1 2.74Å; R99-D119 PolarHBondContact NE-OD1 2.87Å; R99-D119 IonicContact NE-OD2 2.6Å; R99-D119 PolarHBondContact NE-OD2 3.36Å; R99-D119 IonicContact NH2-OD1 3.01Å; R99-D119 PolarHBondContact NH2-OD1 3.18Å; R99-D119 IonicContact NH2-OD2 3.05Å; H100-D119 IonicContact CE1-OD2 3.43Å; H100-D119 PolarHBondContact CE1-OD2 2.66Å; H100-D119 IonicContact ND1-OD2 3.7Å; H100-D119 PolarHBondContact ND1-OD2 2.87Å; D119-G121 VanDerWaalsContact C-N 3.32Å; D119-G121 PolarHBondContact O-N 2.83Å; D119-L208 HydrophobicContact CB-CD2 3.74Å
120S98.3Very high98Very high23 Ų2334.6 Ų34.616%0.16120%0.197CC..THydrogen-bonded Turntrans-75.1-22-178.253.90000113.2I84 L122I84-S120 WeakPolarHBondContact O-CB 3.38Å; I84-S120 PolarHBondContact O-OG 2.98Å; S120-L122 PolarHBondContact O-N 2.79Å
121G97.7Very high98.2Very high29 Ų2932.1 Ų32.130%0.29918%0.175SC..  trans71.9-0.1-174.100000114.3K116 G117 D119K116-G121 WeakPolarHBondContact CE-O 3.24Å; G117-G121 VanDerWaalsContact O-CA 3.27Å; G117-G121 WeakPolarHBondContact O-CA 3.43Å; G117-G121 PolarHBondContact O-N 2.97Å; D119-G121 VanDerWaalsContact C-N 3.32Å; D119-G121 PolarHBondContact O-N 2.83Å
122L98.8Very high98.4Very high18 Ų1831.2 Ų31.29%0.09416%0.161CC..PPolyproline II helixtrans-87.4146.7-176.2-55.7-178.5000111.6I84 L85 K116 G117 S120 S135 E136I84-L122 HydrophobicContact CG2-CB 3.9Å; I84-L122 HydrophobicContact CG2-CD1 4.48Å; L85-L122 WeakPolarHBondContact O-CD1 3.27Å; K116-L122 CarbonylContact C-O 3.48Å; K116-L122 WeakPolarHBondContact CA-O 3.43Å; G117-L122 PolarHBondContact N-O 2.78Å; S120-L122 PolarHBondContact O-N 2.79Å; L122-S135 CarbonylContact C-O 3.55Å; L122-S135 WeakPolarHBondContact CA-O 3.3Å; L122-E136 HydrophobicContact CD2-CB 4.32Å; L122-E136 HydrophobicContact CD2-CG 3.79Å
123Y98.9Very high98.4Very high41 Ų4132.5 Ų32.516%0.16116%0.164CC..EExtended strand (participates in β ladder)trans-86138.3171.6-60.2-89.4000110I106 I115 K116 G125 G134 S135 L138I106-Y123 HydrophobicContact CD1-CD1 4.42Å; I106-Y123 HydrophobicContact CD1-CE1 3.71Å; I115-Y123 CarbonylContact O-C 3.52Å; I115-Y123 WeakPolarHBondContact O-CA 3.23Å; K116-Y123 HydrophobicContact CB-CD1 3.99Å; K116-Y123 HydrophobicContact CB-CE1 4.09Å; K116-Y123 HydrophobicContact CD-CD1 4.47Å; K116-Y123 HydrophobicContact CD-CE1 3.9Å; K116-Y123 HydrophobicContact CG-CD1 4.1Å; K116-Y123 HydrophobicContact CG-CE1 4.04Å; K116-Y123 HydrophobicContact CG-CG 4.48Å; Y123-G125 PolarHBondContact O-N 3.07Å; Y123-G134 CarbonylContact O-C 3.56Å; Y123-G134 WeakPolarHBondContact O-CA 3.21Å; Y123-S135 PolarHBondContact N-O 3.3Å; Y123-S135 PolarHBondContact O-N 3.25Å; Y123-L138 HydrophobicContact CD1-CB 4.35Å; Y123-L138 HydrophobicContact CD1-CD1 3.96Å; Y123-L138 HydrophobicContact CD2-CB 4.31Å; Y123-L138 HydrophobicContact CE1-CB 4.11Å; Y123-L138 HydrophobicContact CE1-CD1 4.21Å; Y123-L138 HydrophobicContact CE2-CB 4.09Å; Y123-L138 HydrophobicContact CG-CB 4.44Å; Y123-L138 HydrophobicContact CG-CD1 4.43Å
124L98.9Very high98.5Very high0 Ų032.7 Ų32.70%017%0.168CC..EExtended strand (participates in β ladder)trans-61.3125.5166.8-176.663.9000108.4L82 I84 V90 I115 L132 C142 F144 V172L82-L124 HydrophobicContact CD2-CD1 4.27Å; L82-L124 HydrophobicContact CD2-CD2 3.88Å; I84-L124 HydrophobicContact CD1-CB 3.87Å; V90-L124 HydrophobicContact CG1-CD1 4.1Å; V90-L124 HydrophobicContact CG2-CD1 3.75Å; I115-L124 HydrophobicContact CB-CB 4.16Å; I115-L124 HydrophobicContact CD1-CD2 4.12Å; I115-L124 PolarHBondContact O-N 2.91Å; L124-L132 HydrophobicContact CD1-CB 4.44Å; L124-L132 HydrophobicContact CD1-CD2 4.43Å; L124-C142 VanDerWaalsContact O-CA 3.24Å; L124-C142 WeakPolarHBondContact O-CA 3.34Å; L124-C142 WeakPolarHBondContact O-CB 3.43Å; L124-F144 HydrophobicContact CB-CE2 4.03Å; L124-F144 HydrophobicContact CB-CZ 4.43Å; L124-F144 HydrophobicContact CD2-CE2 3.94Å; L124-F144 HydrophobicContact CD2-CZ 4.02Å; L124-F144 HydrophobicContact CG-CE2 3.86Å; L124-F144 HydrophobicContact CG-CZ 3.83Å; L124-F144 VanDerWaalsContact O-CE2 3.23Å; L124-F144 WeakPolarHBondContact O-CE2 3.43Å; L124-V172 HydrophobicContact CD2-CG1 4.27Å; L124-V172 HydrophobicContact CD2-CG2 4.2Å
125G98.9Very high98.5Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-121156.6174.100000111.1Y123 L132 Y133Y123-G125 PolarHBondContact O-N 3.07Å; G125-L132 WeakPolarHBondContact O-CA 3.48Å; G125-Y133 PolarHBondContact N-O 3.35Å; G125-Y133 PolarHBondContact O-N 3.41Å
126M98.9Very high98.5Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-134121168.7-178.2-174.9-6900109.5E131 L132 E141 F144 Y161 Y170 F171 V172M126-E131 WeakPolarHBondContact CA-O 3.35Å; M126-L132 HydrophobicContact CB-CD2 4.06Å; M126-L132 HydrophobicContact CE-CD2 3.45Å; M126-L132 VanDerWaalsContact CE-CD2 3.45Å; M126-L132 HydrophobicContact CG-CD2 4.26Å; M126-E141 PolarHBondContact N-O 3.36Å; M126-E141 WeakPolarHBondContact O-CB 3.38Å; M126-F144 HydrophobicContact CB-CE1 3.99Å; M126-F144 HydrophobicContact CB-CZ 4.31Å; M126-F144 HydrophobicContact CE-CE1 4.39Å; M126-Y161 WeakPolarHBondContact O-CD2 3.14Å; M126-Y161 VanDerWaalsContact O-CE2 3.28Å; M126-Y161 WeakPolarHBondContact O-CE2 3.45Å; M126-Y170 VanDerWaalsContact SD-CB 3.53Å; M126-Y170 HydrophobicContact SD-CD2 4.47Å; M126-F171 VanDerWaalsContact CE-C 3.45Å; M126-F171 WeakPolarHBondContact CE-O 3.5Å; M126-V172 HydrophobicContact CE-CG2 4.01Å
127N98.7Very high98.5Very high30 Ų3045.7 Ų45.716%0.1623%0.229CC..  trans-80.3178-178.371.712.7000112.9K129 G130 E131 Y133 E141 Y161N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CA 3.47Å; N127-K129 WeakPolarHBondContact OD1-CB 3.16Å; N127-K129 PolarHBondContact OD1-N 2.86Å; N127-G130 WeakPolarHBondContact O-CA 3.24Å; N127-G130 PolarHBondContact O-N 2.89Å; N127-G130 PolarHBondContact OD1-N 3.25Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å; N127-E131 PolarHBondContact N-O 3.45Å; N127-E131 VanDerWaalsContact N-O 3.09Å; N127-E131 PolarHBondContact ND2-OE2 3.01Å; N127-E131 WeakPolarHBondContact OD1-CB 3.3Å; N127-E131 PolarHBondContact OD1-N 2.76Å; N127-Y133 HydrophobicContact CB-CD1 4.42Å; N127-Y133 HydrophobicContact CB-CE1 4.06Å; N127-E141 WeakPolarHBondContact CA-OE1 3.19Å; N127-Y161 WeakPolarHBondContact O-CD2 3.4Å
128D98.2Very high98.5Very high95 Ų9549.5 Ų49.551%0.50825%0.249SC..THydrogen-bonded Turntrans-60.7-24178.667.9-23.1000114.3G130 Y161D128-G130 VanDerWaalsContact C-N 3.3Å; D128-Y161 HydrophobicContact CB-CD1 4.32Å; D128-Y161 HydrophobicContact CB-CE1 3.73Å; D128-Y161 HydrophobicContact CB-CE2 4.42Å
129K98.1Very high98.5Very high130 Ų13050.7 Ų50.757%0.56526%0.256SS*.THydrogen-bonded Turntrans-84.7-1.3172.4-61.7174.1-171.6172.40113.3N127 E131 T184N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CA 3.47Å; N127-K129 WeakPolarHBondContact OD1-CB 3.16Å; N127-K129 PolarHBondContact OD1-N 2.86Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.12Å; K129-T184 WeakPolarHBondContact O-CG2 3.36Å
130G98.5Very high98.6Very high0 Ų051.8 Ų51.80%027%0.271CS..  trans7615.5-177.400000114.2N127 D128 G183N127-G130 WeakPolarHBondContact O-CA 3.24Å; N127-G130 PolarHBondContact O-N 2.89Å; N127-G130 PolarHBondContact OD1-N 3.25Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.3Å; G130-G183 PolarHBondContact O-N 3.31Å
131E98.9Very high98.6Very high101 Ų10152.6 Ų52.647%0.47227%0.272SS..  trans-82.5134.6177.6-57.3166.9146.500109.6M126 N127 K129M126-E131 WeakPolarHBondContact CA-O 3.35Å; N127-E131 PolarHBondContact N-O 3.45Å; N127-E131 VanDerWaalsContact N-O 3.09Å; N127-E131 PolarHBondContact ND2-OE2 3.01Å; N127-E131 WeakPolarHBondContact OD1-CB 3.3Å; N127-E131 PolarHBondContact OD1-N 2.76Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.12Å
132L98.9Very high98.7Very high17 Ų1751.2 Ų51.29%0.08926%0.258CS..EExtended strand (participates in β ladder)trans-84.3138.2176.4-61.5179.1000110.3V90 L124 G125 M126 V172 P180V90-L132 HydrophobicContact CB-CB 4Å; V90-L132 HydrophobicContact CG1-CB 3.98Å; V90-L132 HydrophobicContact CG1-CD1 4.14Å; V90-L132 HydrophobicContact CG2-CB 4.23Å; L124-L132 HydrophobicContact CD1-CB 4.44Å; L124-L132 HydrophobicContact CD1-CD2 4.43Å; G125-L132 WeakPolarHBondContact O-CA 3.48Å; M126-L132 HydrophobicContact CB-CD2 4.06Å; M126-L132 HydrophobicContact CE-CD2 3.45Å; M126-L132 VanDerWaalsContact CE-CD2 3.45Å; M126-L132 HydrophobicContact CG-CD2 4.26Å; L132-V172 HydrophobicContact CD1-CG1 3.86Å; L132-V172 HydrophobicContact CD2-CB 4.5Å; L132-V172 HydrophobicContact CD2-CG1 4.38Å; L132-V172 HydrophobicContact CD2-CG2 4.12Å; L132-P180 HydrophobicContact CB-CB 4.47Å; L132-P180 HydrophobicContact CD1-CB 4.39Å
133Y98.9Very high98.7Very high64 Ų6451.3 Ų51.325%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-151.2165.7178.571.9-84.3000111.3G88 G125 N127 E141G88-Y133 CarbonylContact O-C 3.55Å; G125-Y133 PolarHBondContact N-O 3.35Å; G125-Y133 PolarHBondContact O-N 3.41Å; N127-Y133 HydrophobicContact CB-CD1 4.42Å; N127-Y133 HydrophobicContact CB-CE1 4.06Å; Y133-E141 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E141 VanDerWaalsContact CZ-OE2 3.31Å; Y133-E141 PolarHBondContact OH-OE2 3.02Å
134G98.9Very high98.7Very high13 Ų1349.4 Ų49.413%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-93.7119.4170.800000111G88 Y123G88-G134 PolarHBondContact O-N 2.71Å; Y123-G134 CarbonylContact O-C 3.56Å; Y123-G134 WeakPolarHBondContact O-CA 3.21Å
135S98.8Very high98.7Very high14 Ų1453.5 Ų53.510%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-99.7132.8177.9-178.10000111.3L122 Y123 K137 C142L122-S135 CarbonylContact C-O 3.55Å; L122-S135 WeakPolarHBondContact CA-O 3.3Å; Y123-S135 PolarHBondContact N-O 3.3Å; Y123-S135 PolarHBondContact O-N 3.25Å; S135-K137 WeakPolarHBondContact CB-O 3.3Å; S135-K137 PolarHBondContact O-N 3.32Å; S135-K137 PolarHBondContact OG-N 3.42Å; S135-K137 PolarHBondContact OG-O 2.49Å; S135-C142 VanDerWaalsContact CB-SG 3.55Å
136E98.4Very high98.6Very high163 Ų16356.3 Ų56.376%0.76228%0.28SS*.SBendtrans-65.6-29.2173.1-65.7-178.817300112.7L122L122-E136 HydrophobicContact CD2-CB 4.32Å; L122-E136 HydrophobicContact CD2-CG 3.79Å
137K98.2Very high98.5Very high152 Ų15260 Ų6066%0.66130%0.298SS*.SBendtrans-114145.3-175.9-63.8180-176.1175.10110.6S135 T139S135-K137 WeakPolarHBondContact CB-O 3.3Å; S135-K137 PolarHBondContact O-N 3.32Å; S135-K137 PolarHBondContact OG-N 3.42Å; S135-K137 PolarHBondContact OG-O 2.49Å; K137-T139 HydrophobicContact CB-CG2 4.22Å; K137-T139 PolarHBondContact O-N 2.96Å; K137-T139 VanDerWaalsContact O-N 3.09Å
138L98.3Very high98.2Very high81 Ų8164.8 Ų64.842%0.42432%0.317SS..  trans-72.3101.2169.6178.860.2000109.3L108 S114 Y123 C142L108-L138 HydrophobicContact CD2-CD2 4.4Å; S114-L138 WeakPolarHBondContact OG-CD1 3.4Å; Y123-L138 HydrophobicContact CD1-CB 4.35Å; Y123-L138 HydrophobicContact CD1-CD1 3.96Å; Y123-L138 HydrophobicContact CD2-CB 4.31Å; Y123-L138 HydrophobicContact CE1-CB 4.11Å; Y123-L138 HydrophobicContact CE1-CD1 4.21Å; Y123-L138 HydrophobicContact CE2-CB 4.09Å; Y123-L138 HydrophobicContact CG-CB 4.44Å; Y123-L138 HydrophobicContact CG-CD1 4.43Å; L138-C142 HydrophobicContact CD1-CB 3.89Å
139T98.6Very high97.7Very high54 Ų5462.1 Ų62.133%0.33130%0.302SS..  trans-110.2175179.368.20000111.3K137 E141 C142K137-T139 HydrophobicContact CB-CG2 4.22Å; K137-T139 PolarHBondContact O-N 2.96Å; K137-T139 VanDerWaalsContact O-N 3.09Å; T139-E141 PolarHBondContact O-N 2.85Å; T139-E141 PolarHBondContact OG1-N 3.41Å; T139-C142 WeakPolarHBondContact O-CB 3.2Å; T139-C142 PolarHBondContact O-N 3.01Å; T139-C142 PolarHBondContact OG1-SG 2.95Å
140A98.6Very high96.9Very high63 Ų6363 Ų6352%0.52131%0.308SS..G310 helixtrans-61.4-28.8174.600000113.1C142 V143 L160A140-C142 PolarHBondContact O-N 2.74Å; A140-V143 PolarHBondContact O-N 3.37Å; A140-L160 HydrophobicContact CB-CD2 4.13Å
141E98.8Very high96.1Very high40 Ų4068.5 Ų68.519%0.18734%0.337CS..G310 helixtrans-69.7-16.4174.8-63.8-165.1147.600112.9M126 N127 Y133 T139 V143 L160 Y161M126-E141 PolarHBondContact N-O 3.36Å; M126-E141 WeakPolarHBondContact O-CB 3.38Å; N127-E141 WeakPolarHBondContact CA-OE1 3.19Å; Y133-E141 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E141 VanDerWaalsContact CZ-OE2 3.31Å; Y133-E141 PolarHBondContact OH-OE2 3.02Å; T139-E141 PolarHBondContact O-N 2.85Å; T139-E141 PolarHBondContact OG1-N 3.41Å; E141-V143 VanDerWaalsContact C-N 3.33Å; E141-L160 HydrophobicContact CG-CD2 4.1Å; E141-Y161 HydrophobicContact CG-CE2 3.85Å; E141-Y161 PolarHBondContact OE1-OH 3.18Å
142C98.9Very high95.5Very high0 Ų073.1 Ų73.10%035%0.35CS..G310 helixtrans-92.17.2-180-56.80000113.3S114 L124 S135 L138 T139 A140S114-C142 WeakPolarHBondContact CB-O 3.24Å; S114-C142 PolarHBondContact OG-O 3.06Å; L124-C142 VanDerWaalsContact O-CA 3.24Å; L124-C142 WeakPolarHBondContact O-CA 3.34Å; L124-C142 WeakPolarHBondContact O-CB 3.43Å; S135-C142 VanDerWaalsContact CB-SG 3.55Å; L138-C142 HydrophobicContact CD1-CB 3.89Å; T139-C142 WeakPolarHBondContact O-CB 3.2Å; T139-C142 PolarHBondContact O-N 3.01Å; T139-C142 PolarHBondContact OG1-SG 2.95Å; A140-C142 PolarHBondContact O-N 2.74Å
143V98.8Very high95.3Very high20 Ų2073.3 Ų73.312%0.12135%0.35CS..  trans-106.1119.8-176.8-176.60000110.1L108 L112 A140 E141 N159L108-V143 HydrophobicContact CD1-CB 4.28Å; L108-V143 HydrophobicContact CD1-CG1 3.88Å; L108-V143 HydrophobicContact CD1-CG2 3.62Å; L112-V143 HydrophobicContact CB-CG1 4.32Å; A140-V143 PolarHBondContact O-N 3.37Å; E141-V143 VanDerWaalsContact C-N 3.33Å; V143-N159 HydrophobicContact CB-CB 4.23Å; V143-N159 HydrophobicContact CG1-CB 3.94Å; V143-N159 WeakPolarHBondContact O-CB 3.31Å; V143-N159 PolarHBondContact O-N 3.43Å
144F98.9Very high95.2Very high0 Ų071.1 Ų71.10%034%0.343CS..EExtended strand (participates in β ladder)trans-115.3144.2-179.2-56.9-82.3000111.5L112 I113 L124 M126 S157 V172L112-F144 WeakPolarHBondContact CA-O 3.35Å; I113-F144 HydrophobicContact CG1-CB 4.41Å; I113-F144 PolarHBondContact N-O 3.34Å; I113-F144 PolarHBondContact O-N 3.23Å; L124-F144 HydrophobicContact CB-CE2 4.03Å; L124-F144 HydrophobicContact CB-CZ 4.43Å; L124-F144 HydrophobicContact CD2-CE2 3.94Å; L124-F144 HydrophobicContact CD2-CZ 4.02Å; L124-F144 HydrophobicContact CG-CE2 3.86Å; L124-F144 HydrophobicContact CG-CZ 3.83Å; L124-F144 VanDerWaalsContact O-CE2 3.23Å; L124-F144 WeakPolarHBondContact O-CE2 3.43Å; M126-F144 HydrophobicContact CB-CE1 3.99Å; M126-F144 HydrophobicContact CB-CZ 4.31Å; M126-F144 HydrophobicContact CE-CE1 4.39Å; F144-S157 CarbonylContact C-O 3.57Å; F144-S157 VanDerWaalsContact CA-O 3.27Å; F144-S157 WeakPolarHBondContact CA-O 3.12Å; F144-V172 HydrophobicContact CD1-CG2 3.72Å; F144-V172 HydrophobicContact CE1-CG2 3.58Å; F144-V172 HydrophobicContact CG-CG2 4.49Å; F144-V172 HydrophobicContact CZ-CG2 4.25Å
145R98.4Very high95.2Very high87 Ų8770.5 Ų70.533%0.32834%0.337SS..EExtended strand (participates in β ladder)trans-81.1115.2165.2-73.7168.5-179.1-99.1-3.5108.8G111 L112 Y156 S157 N159 R169G111-R145 CarbonylContact O-C 3.44Å; G111-R145 VanDerWaalsContact O-CA 3.3Å; G111-R145 WeakPolarHBondContact O-CA 3.27Å; L112-R145 HydrophobicContact CD2-CB 4.33Å; L112-R145 HydrophobicContact CD2-CG 3.37Å; R145-Y156 WeakPolarHBondContact O-CA 3.39Å; R145-S157 PolarHBondContact N-O 2.9Å; R145-S157 PolarHBondContact O-N 3.43Å; R145-N159 HydrophobicContact CG-CB 4.5Å; R145-N159 VanDerWaalsContact CZ-OD1 3.29Å; R145-N159 PolarHBondContact NE-OD1 2.88Å; R145-N159 PolarHBondContact NH2-OD1 3.27Å; R145-R169 VanDerWaalsContact CZ-NH2 3.29Å; R145-R169 VanDerWaalsContact NE-NH2 3.18Å
146E97.8Very high95.2Very high59 Ų5969.9 Ų69.928%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-88124.8170179.4172.1-120.200109G111 I113 N154 Y156G111-E146 PolarHBondContact O-N 3.21Å; I113-E146 HydrophobicContact CD1-CB 4.33Å; I113-E146 HydrophobicContact CG1-CB 4.29Å; I113-E146 HydrophobicContact CG2-CB 4.34Å; E146-N154 HydrophobicContact CG-CB 4.29Å; E146-N154 PolarHBondContact OE1-ND2 3.4Å; E146-Y156 HydrophobicContact CB-CD1 4.06Å; E146-Y156 HydrophobicContact CB-CE1 3.74Å; E146-Y156 HydrophobicContact CG-CD1 4.27Å; E146-Y156 HydrophobicContact CG-CE1 3.54Å; E146-Y156 VanDerWaalsContact OE1-CE1 3.24Å; E146-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E146-Y156 PolarHBondContact OE1-OH 3.49Å
147Q96.3Very high95.2Very high78 Ų7862.1 Ų62.136%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-135133.1176.4-65.9-178.2-77.300110N154 T155Q147-N154 CarbonylContact O-C 3.45Å; Q147-N154 VanDerWaalsContact O-CA 3.3Å; Q147-N154 WeakPolarHBondContact O-CA 3.31Å; Q147-T155 PolarHBondContact N-O 3.13Å; Q147-T155 PolarHBondContact O-N 2.95Å; Q147-T155 PolarHBondContact O-OG1 2.5Å
148F92.3Very high95.2Very high129 Ų12954.9 Ų54.957%0.56626%0.264SS*.EExtended strand (participates in β ladder)trans-63.9137.5174.7-165-100.2000110.2W152F148-W152 AromaticContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CZ3 4.42Å; F148-W152 HydrophobicContact CZ-CD2 4.2Å; F148-W152 AromaticContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CZ3 4.33Å
149E87.6Confident95.2Very high39 Ų3953.5 Ų53.518%0.18226%0.257CS..  trans-121.3171.2174.4-158.363-120.200108Y153 T155 R188E149-Y153 CarbonylContact C-O 3.58Å; E149-Y153 VanDerWaalsContact CA-O 3.3Å; E149-Y153 WeakPolarHBondContact CA-O 3.22Å; E149-Y153 VanDerWaalsContact CB-O 3.24Å; E149-Y153 WeakPolarHBondContact CB-O 3.49Å; E149-Y153 PolarHBondContact N-O 2.77Å; E149-T155 HydrophobicContact CB-CG2 4.44Å; E149-T155 HydrophobicContact CG-CG2 4.4Å; E149-R188 WeakPolarHBondContact OE2-CD 3.05Å; E149-R188 WeakPolarHBondContact OE2-CG 3.5Å; E149-R188 IonicContact OE2-NH1 3.41Å; E149-R188 PolarHBondContact OE2-NH1 2.89Å
150E82.9Confident95.2Very high148 Ų14855 Ų5569%0.69226%0.263SS*.G310 helixtrans-58153.6179.2-62.8177.2179.100112.8W152 Y153E150-W152 VanDerWaalsContact C-N 3.34Å; E150-W152 PolarHBondContact O-N 2.88Å; E150-Y153 PolarHBondContact O-N 2.99Å
151N81.6Confident95.2Very high116 Ų11654.5 Ų54.562%0.6225%0.248SC*.G310 helixtrans59.734.5175.3-54.7-64.4000115.3Y153N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 VanDerWaalsContact O-CD2 3.32Å; N151-Y153 WeakPolarHBondContact O-CD2 3.21Å; N151-Y153 PolarHBondContact O-N 2.77Å
152W85.1Confident95.1Very high198 Ų19856.5 Ų56.575%0.7526%0.256SS*.G310 helixtrans70.211.1176.7-49.597.6000115.5F148 E150 L196F148-W152 AromaticContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CZ3 4.42Å; F148-W152 HydrophobicContact CZ-CD2 4.2Å; F148-W152 AromaticContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CZ3 4.33Å; E150-W152 VanDerWaalsContact C-N 3.34Å; E150-W152 PolarHBondContact O-N 2.88Å; W152-L196 HydrophobicContact CB-CD1 4.21Å; W152-L196 WeakPolarHBondContact O-CD1 3.35Å
153Y95.2Very high94.9Very high21 Ų2159.6 Ų59.68%0.08227%0.27CS..  trans-82.9151.1170.5-76.6-99.4000109.8R77 E149 E150 N151 H194 L196R77-Y153 HydrophobicContact CB-CD1 4.27Å; R77-Y153 HydrophobicContact CB-CE1 3.77Å; R77-Y153 WeakPolarHBondContact CD-OH 3.32Å; R77-Y153 HydrophobicContact CG-CE1 4.27Å; R77-Y153 PolarHBondContact NH1-OH 3.5Å; E149-Y153 CarbonylContact C-O 3.58Å; E149-Y153 VanDerWaalsContact CA-O 3.3Å; E149-Y153 WeakPolarHBondContact CA-O 3.22Å; E149-Y153 VanDerWaalsContact CB-O 3.24Å; E149-Y153 WeakPolarHBondContact CB-O 3.49Å; E149-Y153 PolarHBondContact N-O 2.77Å; E150-Y153 PolarHBondContact O-N 2.99Å; N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 VanDerWaalsContact O-CD2 3.32Å; N151-Y153 WeakPolarHBondContact O-CD2 3.21Å; N151-Y153 PolarHBondContact O-N 2.77Å; Y153-H194 HydrophobicContact CD1-CB 3.66Å; Y153-H194 HydrophobicContact CG-CB 4.02Å; Y153-L196 HydrophobicContact CD1-CB 3.99Å; Y153-L196 HydrophobicContact CE1-CB 3.68Å; Y153-L196 HydrophobicContact CE2-CB 4.45Å
154N97.4Very high94.6Very high19 Ų1961.1 Ų61.110%0.10229%0.29CS..EExtended strand (participates in β ladder)trans-111.7158169.1-66.8-16.9000109.4E146 Q147 Y156 F195E146-N154 HydrophobicContact CG-CB 4.29Å; E146-N154 PolarHBondContact OE1-ND2 3.4Å; Q147-N154 CarbonylContact O-C 3.45Å; Q147-N154 VanDerWaalsContact O-CA 3.3Å; Q147-N154 WeakPolarHBondContact O-CA 3.31Å; N154-Y156 HydrophobicContact CB-CE2 3.88Å; N154-Y156 PolarHBondContact ND2-OH 2.81Å; N154-F195 PolarHBondContact N-O 2.78Å; N154-F195 PolarHBondContact O-N 2.98Å
155T98.4Very high93.8Very high0 Ų068.1 Ų68.10%033%0.328CS..EExtended strand (participates in β ladder)trans-111.4145.2164.151.40000109.4Q147 E149 F171 R188Q147-T155 PolarHBondContact N-O 3.13Å; Q147-T155 PolarHBondContact O-N 2.95Å; Q147-T155 PolarHBondContact O-OG1 2.5Å; E149-T155 HydrophobicContact CB-CG2 4.44Å; E149-T155 HydrophobicContact CG-CG2 4.4Å; T155-F171 HydrophobicContact CG2-CE1 4.48Å; T155-R188 HydrophobicContact CG2-CG 4.26Å; T155-R188 PolarHBondContact OG1-NH1 3.14Å
156Y98.8Very high93.1Very high0 Ų074.1 Ų74.10%036%0.356CS..EExtended strand (participates in β ladder)trans-121.7113.3177.7-60-78.6000108.4L74 F105 I113 I115 R145 E146 N154 F171 V172 F195 P197L74-Y156 HydrophobicContact CD1-CE2 3.76Å; L74-Y156 HydrophobicContact CD2-CD2 4.19Å; L74-Y156 HydrophobicContact CD2-CE2 3.98Å; L74-Y156 HydrophobicContact CG-CE2 4.34Å; F105-Y156 HydrophobicContact CE1-CE1 4.07Å; I113-Y156 HydrophobicContact CD1-CD1 3.7Å; I113-Y156 HydrophobicContact CD1-CE1 3.37Å; I113-Y156 HydrophobicContact CG1-CD1 4.34Å; I113-Y156 HydrophobicContact CG1-CE1 4.36Å; I115-Y156 HydrophobicContact CD1-CD1 4.42Å; R145-Y156 WeakPolarHBondContact O-CA 3.39Å; E146-Y156 HydrophobicContact CB-CD1 4.06Å; E146-Y156 HydrophobicContact CB-CE1 3.74Å; E146-Y156 HydrophobicContact CG-CD1 4.27Å; E146-Y156 HydrophobicContact CG-CE1 3.54Å; E146-Y156 VanDerWaalsContact OE1-CE1 3.24Å; E146-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E146-Y156 PolarHBondContact OE1-OH 3.49Å; N154-Y156 HydrophobicContact CB-CE2 3.88Å; N154-Y156 PolarHBondContact ND2-OH 2.81Å; Y156-F171 WeakPolarHBondContact O-CA 3.48Å; Y156-V172 PolarHBondContact O-N 3.22Å; Y156-F195 HydrophobicContact CD2-CB 4.11Å; Y156-F195 HydrophobicContact CD2-CD2 4.18Å; Y156-F195 HydrophobicContact CD2-CG 4.37Å; Y156-F195 HydrophobicContact CE2-CB 3.77Å; Y156-F195 HydrophobicContact CE2-CG 4.48Å; Y156-P197 WeakPolarHBondContact OH-CG 3.21Å
157S98.8Very high92.6Very high0 Ų073 Ų730%036%0.36CS..EExtended strand (participates in β ladder)trans-117.6146.8-18061.60000111.7F144 R145 N159 R169 Y170F144-S157 CarbonylContact C-O 3.57Å; F144-S157 VanDerWaalsContact CA-O 3.27Å; F144-S157 WeakPolarHBondContact CA-O 3.12Å; R145-S157 PolarHBondContact N-O 2.9Å; R145-S157 PolarHBondContact O-N 3.43Å; S157-N159 PolarHBondContact O-N 2.76Å; S157-R169 VanDerWaalsContact OG-CD 3.31Å; S157-R169 WeakPolarHBondContact OG-CD 3.34Å; S157-Y170 CarbonylContact C-O 3.59Å; S157-Y170 WeakPolarHBondContact CA-O 3.37Å; S157-Y170 VanDerWaalsContact CB-O 3.24Å; S157-Y170 WeakPolarHBondContact CB-O 3.03Å
158S98.6Very high92.5Very high0 Ų072.3 Ų72.30%036%0.362CS..EExtended strand (participates in β ladder)trans-55.1130.3175.8-178.40000109.5L160 Y161 R169 Y170S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 2.84Å; S158-Y161 PolarHBondContact OG-N 2.9Å; S158-R169 PolarHBondContact O-NH1 3.32Å; S158-Y170 PolarHBondContact N-O 2.74Å
159N98.3Very high92.8Very high52 Ų5269 Ų6928%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-70-32.8171.3-174.247.7000110.8L112 V143 R145 S157 R169L112-N159 HydrophobicContact CD2-CB 4.48Å; V143-N159 HydrophobicContact CB-CB 4.23Å; V143-N159 HydrophobicContact CG1-CB 3.94Å; V143-N159 WeakPolarHBondContact O-CB 3.31Å; V143-N159 PolarHBondContact O-N 3.43Å; R145-N159 HydrophobicContact CG-CB 4.5Å; R145-N159 VanDerWaalsContact CZ-OD1 3.29Å; R145-N159 PolarHBondContact NE-OD1 2.88Å; R145-N159 PolarHBondContact NH2-OD1 3.27Å; S157-N159 PolarHBondContact O-N 2.76Å; N159-R169 PolarHBondContact O-NH1 2.85Å; N159-R169 VanDerWaalsContact O-NH1 3.1Å
160L97.9Very high93.3Very high85 Ų8568.6 Ų68.645%0.44534%0.342SS..EExtended strand (participates in β ladder)trans-86.5-46.9-173.6-173.957.9000113A140 E141 S158A140-L160 HydrophobicContact CB-CD2 4.13Å; E141-L160 HydrophobicContact CG-CD2 4.1Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 2.84Å
161Y98.4Very high94.1Very high53 Ų5362 Ų6221%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-102.9137.8-169.2-58.2-60000114.3M126 N127 D128 E141 S158 Y170M126-Y161 WeakPolarHBondContact O-CD2 3.14Å; M126-Y161 VanDerWaalsContact O-CE2 3.28Å; M126-Y161 WeakPolarHBondContact O-CE2 3.45Å; N127-Y161 WeakPolarHBondContact O-CD2 3.4Å; D128-Y161 HydrophobicContact CB-CD1 4.32Å; D128-Y161 HydrophobicContact CB-CE1 3.73Å; D128-Y161 HydrophobicContact CB-CE2 4.42Å; E141-Y161 HydrophobicContact CG-CE2 3.85Å; E141-Y161 PolarHBondContact OE1-OH 3.18Å; S158-Y161 PolarHBondContact OG-N 2.9Å; Y161-Y170 HydrophobicContact CG-CD2 4.49Å; Y161-Y170 PolarHBondContact O-N 2.8Å
162K97.3Very high94.9Very high82 Ų8256.5 Ų56.536%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-157.9162.4177.556.5172.4-179.6-178.40110.1G164 D165 T168 R169K162-G164 WeakPolarHBondContact CD-O 3.34Å; K162-G164 VanDerWaalsContact CE-O 3.31Å; K162-G164 WeakPolarHBondContact CE-O 3.16Å; K162-G164 WeakPolarHBondContact CG-O 3.39Å; K162-G164 PolarHBondContact O-N 3.37Å; K162-D165 WeakPolarHBondContact CE-O 3.25Å; K162-D165 PolarHBondContact NZ-O 3.03Å; K162-T168 WeakPolarHBondContact CA-O 3.31Å; K162-R169 HydrophobicContact CB-CG 4.32Å
163H95Very high95.5Very high65 Ų6547 Ų4730%0.30125%0.246SC..SBendtrans-71.594.4174.9-74.5-72000111.2G167 T168 Y170 T184H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 2.79Å; H163-T168 PolarHBondContact CD2-O 3.26Å; H163-T168 PolarHBondContact CD2-OG1 2.94Å; H163-T168 PolarHBondContact N-O 3.03Å; H163-Y170 AromaticContact CD2-CD1 3.91Å; H163-Y170 AromaticContact CD2-CE1 3.47Å; H163-Y170 VanDerWaalsContact CD2-CE1 3.47Å; H163-Y170 WeakPolarHBondContact CD2-CE1 3.23Å; H163-Y170 AromaticContact CE1-CE1 3.64Å; H163-Y170 AromaticContact CG-CE1 3.8Å; H163-Y170 AromaticContact ND1-CE1 3.9Å; H163-Y170 AromaticContact NE2-CD1 3.85Å; H163-Y170 AromaticContact NE2-CE1 3.37Å; H163-Y170 WeakPolarHBondContact NE2-CE1 3.42Å; H163-T184 PolarHBondContact CE1-O 2.78Å; H163-T184 PolarHBondContact NE2-O 2.88Å
164G90.8Very high95.7Very high53 Ų5346 Ų4655%0.54624%0.242SC..THydrogen-bonded Turntrans59.8-172.1-178.400000113.9K162 K166K162-G164 WeakPolarHBondContact CD-O 3.34Å; K162-G164 VanDerWaalsContact CE-O 3.31Å; K162-G164 WeakPolarHBondContact CE-O 3.16Å; K162-G164 WeakPolarHBondContact CG-O 3.39Å; K162-G164 PolarHBondContact O-N 3.37Å; G164-K166 PolarHBondContact O-N 3.06Å
165D82.6Confident95.8Very high147 Ų14746.9 Ų46.979%0.78625%0.247SC*.THydrogen-bonded Turntrans-69.4-32-170.3-65.8-33.6000114.3K162K162-D165 WeakPolarHBondContact CE-O 3.25Å; K162-D165 PolarHBondContact NZ-O 3.03Å
166K83.3Confident95.8Very high212 Ų21255.5 Ų55.592%0.92228%0.284SS*.THydrogen-bonded Turntrans-113.91.2-176.8-64.9-174.8-179.5179.60114.1G164G164-K166 PolarHBondContact O-N 3.06Å
167G88.3Confident95.7Very high35 Ų3560.6 Ų60.636%0.36131%0.312SS..SBendtrans-90.3-176.6-172.600000114.4H163H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 2.79Å
168T94.9Very high95.7Very high65 Ų6560.8 Ų60.840%0.39931%0.314SS..PPolyproline II helixtrans-68.6142.3-173.6530000111.8K162 H163K162-T168 WeakPolarHBondContact CA-O 3.31Å; H163-T168 PolarHBondContact CD2-O 3.26Å; H163-T168 PolarHBondContact CD2-OG1 2.94Å; H163-T168 PolarHBondContact N-O 3.03Å
169R97.3Very high95.7Very high60 Ų6063.6 Ų63.623%0.22633%0.331CS..EExtended strand (participates in β ladder)trans-68.9159.8176.1-63.7-173.1171.1-84.1-7.6112.1R145 S157 S158 N159 K162 F171R145-R169 VanDerWaalsContact CZ-NH2 3.29Å; R145-R169 VanDerWaalsContact NE-NH2 3.18Å; S157-R169 VanDerWaalsContact OG-CD 3.31Å; S157-R169 WeakPolarHBondContact OG-CD 3.34Å; S158-R169 PolarHBondContact O-NH1 3.32Å; N159-R169 PolarHBondContact O-NH1 2.85Å; N159-R169 VanDerWaalsContact O-NH1 3.1Å; K162-R169 HydrophobicContact CB-CG 4.32Å; R169-F171 HydrophobicContact CB-CE2 4.16Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 WeakPolarHBondContact O-CD2 3.22Å; R169-F171 VanDerWaalsContact O-CE2 3.22Å; R169-F171 WeakPolarHBondContact O-CE2 3.16Å
170Y98.6Very high95.7Very high30 Ų3063.8 Ų63.812%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-84.1140.3169.8-61.6-1.6000109.3M126 S157 S158 Y161 H163 G183 T184M126-Y170 VanDerWaalsContact SD-CB 3.53Å; M126-Y170 HydrophobicContact SD-CD2 4.47Å; S157-Y170 CarbonylContact C-O 3.59Å; S157-Y170 WeakPolarHBondContact CA-O 3.37Å; S157-Y170 VanDerWaalsContact CB-O 3.24Å; S157-Y170 WeakPolarHBondContact CB-O 3.03Å; S158-Y170 PolarHBondContact N-O 2.74Å; Y161-Y170 HydrophobicContact CG-CD2 4.49Å; Y161-Y170 PolarHBondContact O-N 2.8Å; H163-Y170 AromaticContact CD2-CD1 3.91Å; H163-Y170 AromaticContact CD2-CE1 3.47Å; H163-Y170 VanDerWaalsContact CD2-CE1 3.47Å; H163-Y170 WeakPolarHBondContact CD2-CE1 3.23Å; H163-Y170 AromaticContact CE1-CE1 3.64Å; H163-Y170 AromaticContact CG-CE1 3.8Å; H163-Y170 AromaticContact ND1-CE1 3.9Å; H163-Y170 AromaticContact NE2-CD1 3.85Å; H163-Y170 AromaticContact NE2-CE1 3.37Å; H163-Y170 WeakPolarHBondContact NE2-CE1 3.42Å; Y170-G183 WeakPolarHBondContact CA-O 3.34Å; Y170-T184 HydrophobicContact CD2-CG2 3.99Å; Y170-T184 HydrophobicContact CE1-CG2 4.17Å; Y170-T184 HydrophobicContact CE2-CG2 3.53Å; Y170-T184 HydrophobicContact CG-CG2 4.49Å
171F98.8Very high95.8Very high9 Ų963 Ų634%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-118.5139-173.2-73.2-95.6000111.5M126 T155 Y156 R169 A173 G183 S186 R188 T193M126-F171 VanDerWaalsContact CE-C 3.45Å; M126-F171 WeakPolarHBondContact CE-O 3.5Å; T155-F171 HydrophobicContact CG2-CE1 4.48Å; Y156-F171 WeakPolarHBondContact O-CA 3.48Å; R169-F171 HydrophobicContact CB-CE2 4.16Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 WeakPolarHBondContact O-CD2 3.22Å; R169-F171 VanDerWaalsContact O-CE2 3.22Å; R169-F171 WeakPolarHBondContact O-CE2 3.16Å; F171-A173 PolarHBondContact O-N 3.05Å; F171-G183 PolarHBondContact N-O 2.94Å; F171-G183 VanDerWaalsContact O-CA 3.31Å; F171-G183 WeakPolarHBondContact O-CA 3.31Å; F171-S186 WeakPolarHBondContact CD2-O 3.48Å; F171-R188 HydrophobicContact CE1-CB 4.07Å; F171-R188 HydrophobicContact CE2-CB 4.46Å; F171-R188 HydrophobicContact CZ-CB 3.79Å; F171-T193 HydrophobicContact CB-CG2 3.69Å; F171-T193 HydrophobicContact CG-CG2 4.21Å
172V98.9Very high95.8Very high0 Ų062.6 Ų62.60%033%0.327CS..  trans-60.1133.5164.7179.50000107L82 L124 M126 L132 F144 Y156 F195L82-V172 HydrophobicContact CD1-CG1 4.42Å; L124-V172 HydrophobicContact CD2-CG1 4.27Å; L124-V172 HydrophobicContact CD2-CG2 4.2Å; M126-V172 HydrophobicContact CE-CG2 4.01Å; L132-V172 HydrophobicContact CD1-CG1 3.86Å; L132-V172 HydrophobicContact CD2-CB 4.5Å; L132-V172 HydrophobicContact CD2-CG1 4.38Å; L132-V172 HydrophobicContact CD2-CG2 4.12Å; F144-V172 HydrophobicContact CD1-CG2 3.72Å; F144-V172 HydrophobicContact CE1-CG2 3.58Å; F144-V172 HydrophobicContact CG-CG2 4.49Å; F144-V172 HydrophobicContact CZ-CG2 4.25Å; Y156-V172 PolarHBondContact O-N 3.22Å; V172-F195 HydrophobicContact CB-CE2 4.42Å; V172-F195 HydrophobicContact CG1-CE2 4.05Å; V172-F195 HydrophobicContact CG1-CZ 3.96Å; V172-F195 WeakPolarHBondContact O-CE2 3.34Å
173A98.8Very high95.8Very high0 Ų058.7 Ų58.70%031%0.31CS..  trans-156.7148.3-178.100000112.9F171 R181 F192 T193F171-A173 PolarHBondContact O-N 3.05Å; A173-R181 HydrophobicContact CB-CB 3.79Å; A173-R181 HydrophobicContact CB-CG 4.35Å; A173-R181 PolarHBondContact O-N 3.09Å; A173-F192 WeakPolarHBondContact CA-O 3.24Å; A173-F192 HydrophobicContact CB-CB 4.45Å; A173-F192 HydrophobicContact CB-CD2 3.81Å; A173-F192 WeakPolarHBondContact CB-O 3.49Å; A173-T193 HydrophobicContact CB-CG2 4.24Å
174L98.9Very high96Very high0 Ų057 Ų570%030%0.304CS..BIsolated β-bridgetrans-120.6131.6170.8-66.6-179.9000110C76 T78 F80 L82 T179 F192 F195C76-L174 HydrophobicContact CB-CB 4.22Å; C76-L174 HydrophobicContact CB-CD1 4.05Å; T78-L174 WeakPolarHBondContact CG2-O 3.28Å; T78-L174 PolarHBondContact OG1-O 3.37Å; F80-L174 HydrophobicContact CB-CD1 4.06Å; L82-L174 HydrophobicContact CB-CD1 4.43Å; L82-L174 HydrophobicContact CD1-CD1 4.18Å; L82-L174 HydrophobicContact CD1-CD2 4.02Å; L82-L174 HydrophobicContact CD1-CG 4.15Å; L174-T179 WeakPolarHBondContact CA-O 3.35Å; L174-F192 PolarHBondContact N-O 3.06Å; L174-F192 WeakPolarHBondContact O-CB 3.49Å; L174-F195 HydrophobicContact CD1-CE1 4.13Å; L174-F195 HydrophobicContact CG-CE1 4.19Å; L174-F195 HydrophobicContact CG-CZ 4.16Å
175N98.6Very high96.3Very high37 Ų3760.4 Ų60.420%0.19830%0.304CS..  trans-65.5172.8175-71.4-46.7000111.6T78 D177 G178 T179 R181T78-N175 PolarHBondContact OG1-O 2.76Å; N175-D177 WeakPolarHBondContact CB-OD1 3.44Å; N175-D177 PolarHBondContact O-N 2.79Å; N175-G178 PolarHBondContact O-N 3.18Å; N175-G178 VanDerWaalsContact O-N 3.12Å; N175-T179 WeakPolarHBondContact CB-OG1 3.34Å; N175-T179 PolarHBondContact N-O 3.1Å; N175-T179 PolarHBondContact ND2-OG1 3.45Å; N175-R181 WeakPolarHBondContact OD1-CB 3.43Å; N175-R181 WeakPolarHBondContact OD1-CD 3.47Å; N175-R181 WeakPolarHBondContact OD1-CG 3.46Å; N175-R181 PolarHBondContact OD1-NH1 3.49Å
176K98.3Very high97Very high180 Ų18053.4 Ų53.478%0.78327%0.267SS*.THydrogen-bonded Turntrans-69.6-15178.7-67.8-177.1-179.7178.20113.9T78 F80T78-K176 HydrophobicContact CG2-CG 4.31Å; F80-K176 WeakPolarHBondContact CE2-O 3.47Å; F80-K176 WeakPolarHBondContact CZ-O 3.34Å
177D98.3Very high97.7Very high108 Ų10846.8 Ų46.858%0.57824%0.236SC*.THydrogen-bonded Turntrans-94.4-2.2173.959.95.2000112.7F80 N175 T179F80-D177 VanDerWaalsContact CZ-C 3.41Å; N175-D177 WeakPolarHBondContact CB-OD1 3.44Å; N175-D177 PolarHBondContact O-N 2.79Å; D177-T179 WeakPolarHBondContact OD1-CB 3.45Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 2.75Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å
178G98.1Very high98Very high4 Ų449 Ų494%0.04123%0.233CC..SBendtrans90.2-4.3-17900000114.4G92 N175G92-G178 VanDerWaalsContact CA-O 3.23Å; G92-G178 WeakPolarHBondContact CA-O 3.35Å; G92-G178 PolarHBondContact N-O 2.78Å; N175-G178 PolarHBondContact O-N 3.18Å; N175-G178 VanDerWaalsContact O-N 3.12Å
179T98.7Very high98Very high59 Ų5952.8 Ų52.836%0.36225%0.246SC..PPolyproline II helixtrans-71.6148.9177.7600000111.9L174 N175 D177 R181L174-T179 WeakPolarHBondContact CA-O 3.35Å; N175-T179 WeakPolarHBondContact CB-OG1 3.34Å; N175-T179 PolarHBondContact N-O 3.1Å; N175-T179 PolarHBondContact ND2-OG1 3.45Å; D177-T179 WeakPolarHBondContact OD1-CB 3.45Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 2.75Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å; T179-R181 PolarHBondContact O-N 3.36Å
180P98.6Very high98Very high55 Ų5552.4 Ų52.436%0.35725%0.247SC..BIsolated β-bridgetrans-62.2135.8173.329.5-36.4000110.1V90 L132V90-P180 WeakPolarHBondContact O-CD 3.15Å; V90-P180 VanDerWaalsContact O-CG 3.25Å; V90-P180 WeakPolarHBondContact O-CG 3.48Å; L132-P180 HydrophobicContact CB-CB 4.47Å; L132-P180 HydrophobicContact CD1-CB 4.39Å
181R98.6Very high97.9Very high70 Ų7057.9 Ų57.926%0.26427%0.271SS..PPolyproline II helixtrans-102.4137.7179.5-176.1180-178.776.54.6110.5A173 N175 T179 G183 S186 F192A173-R181 HydrophobicContact CB-CB 3.79Å; A173-R181 HydrophobicContact CB-CG 4.35Å; A173-R181 PolarHBondContact O-N 3.09Å; N175-R181 WeakPolarHBondContact OD1-CB 3.43Å; N175-R181 WeakPolarHBondContact OD1-CD 3.47Å; N175-R181 WeakPolarHBondContact OD1-CG 3.46Å; N175-R181 PolarHBondContact OD1-NH1 3.49Å; T179-R181 PolarHBondContact O-N 3.36Å; R181-G183 PolarHBondContact O-N 3Å; R181-S186 WeakPolarHBondContact CD-OG 3.38Å; R181-F192 VanDerWaalsContact NE-CZ 3.27Å
182D98.3Very high97.9Very high44 Ų4459.1 Ų59.124%0.23528%0.277CS..PPolyproline II helixtrans-49.8117.1170.9178.3-13.1000111.7T184 K185 S186D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 2.85Å; D182-T184 WeakPolarHBondContact OD1-CA 3.31Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.37Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-N 2.72Å; D182-T184 PolarHBondContact OD1-OG1 2.94Å; D182-T184 PolarHBondContact OD2-OG1 3.46Å; D182-K185 HydrophobicContact CB-CD 4.41Å; D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 VanDerWaalsContact O-N 3.16Å; D182-K185 WeakPolarHBondContact OD2-CE 3.2Å; D182-K185 IonicContact OD2-NZ 2.69Å; D182-K185 PolarHBondContact OD2-NZ 3Å; D182-S186 PolarHBondContact O-OG 3.38Å
183G98.4Very high97.9Very high0 Ų059.1 Ų59.10%028%0.277CS..G310 helixtrans-65.1-26.9-178.900000113.3G130 Y170 F171 R181 K185 S186G130-G183 PolarHBondContact O-N 3.31Å; Y170-G183 WeakPolarHBondContact CA-O 3.34Å; F171-G183 PolarHBondContact N-O 2.94Å; F171-G183 VanDerWaalsContact O-CA 3.31Å; F171-G183 WeakPolarHBondContact O-CA 3.31Å; R181-G183 PolarHBondContact O-N 3Å; G183-K185 PolarHBondContact O-N 3.32Å; G183-S186 PolarHBondContact O-N 2.88Å
184T98.1Very high97.8Very high28 Ų2860.4 Ų60.417%0.17228%0.283CS..G310 helixtrans-65.7-28.5176.174.60000111.2K129 H163 Y170 D182 R187K129-T184 WeakPolarHBondContact O-CG2 3.36Å; H163-T184 PolarHBondContact CE1-O 2.78Å; H163-T184 PolarHBondContact NE2-O 2.88Å; Y170-T184 HydrophobicContact CD2-CG2 3.99Å; Y170-T184 HydrophobicContact CE1-CG2 4.17Å; Y170-T184 HydrophobicContact CE2-CG2 3.53Å; Y170-T184 HydrophobicContact CG-CG2 4.49Å; D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 2.85Å; D182-T184 WeakPolarHBondContact OD1-CA 3.31Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.37Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-N 2.72Å; D182-T184 PolarHBondContact OD1-OG1 2.94Å; D182-T184 PolarHBondContact OD2-OG1 3.46Å; T184-R187 PolarHBondContact O-NH1 3.35Å; T184-R187 PolarHBondContact O-NH2 3.08Å
185K97.8Very high97.8Very high125 Ų12560.4 Ų60.454%0.54328%0.283SS..G310 helixtrans-100.410.9-178-63.7178.1-175.3116.80113.5D182 G183D182-K185 HydrophobicContact CB-CD 4.41Å; D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 VanDerWaalsContact O-N 3.16Å; D182-K185 WeakPolarHBondContact OD2-CE 3.2Å; D182-K185 IonicContact OD2-NZ 2.69Å; D182-K185 PolarHBondContact OD2-NZ 3Å; G183-K185 PolarHBondContact O-N 3.32Å
186S97.9Very high97.8Very high0 Ų061 Ų610%029%0.285CS..  trans-111.5139-176.2-62.30000111.3F171 R181 D182 G183F171-S186 WeakPolarHBondContact CD2-O 3.48Å; R181-S186 WeakPolarHBondContact CD-OG 3.38Å; D182-S186 PolarHBondContact O-OG 3.38Å; G183-S186 PolarHBondContact O-N 2.88Å
187R96.8Very high97.7Very high73 Ų7354.1 Ų54.128%0.27526%0.26SS..  trans-132.5146.1-175.4-59-67.7178.6-87.4-0.2110.5T184 H189 Q190 T193T184-R187 PolarHBondContact O-NH1 3.35Å; T184-R187 PolarHBondContact O-NH2 3.08Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.9Å; R187-H189 VanDerWaalsContact O-N 3.12Å; R187-Q190 HydrophobicContact CB-CG 4.15Å; R187-Q190 VanDerWaalsContact O-CB 3.32Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 PolarHBondContact O-N 3.06Å; R187-T193 VanDerWaalsContact O-CG2 3.3Å; R187-T193 WeakPolarHBondContact O-CG2 3.37Å; R187-T193 PolarHBondContact O-OG1 2.91Å
188R96Very high97.7Very high82 Ų8252.7 Ų52.731%0.30925%0.246SC..THydrogen-bonded Turntrans-43-47.9-178178.9-174.6-66.6-72.4-9.7115E149 T155 F171 Q190 T193 H194E149-R188 WeakPolarHBondContact OE2-CD 3.05Å; E149-R188 WeakPolarHBondContact OE2-CG 3.5Å; E149-R188 IonicContact OE2-NH1 3.41Å; E149-R188 PolarHBondContact OE2-NH1 2.89Å; T155-R188 HydrophobicContact CG2-CG 4.26Å; T155-R188 PolarHBondContact OG1-NH1 3.14Å; F171-R188 HydrophobicContact CE1-CB 4.07Å; F171-R188 HydrophobicContact CE2-CB 4.46Å; F171-R188 HydrophobicContact CZ-CB 3.79Å; R188-Q190 PolarHBondContact O-N 3.24Å; R188-T193 PolarHBondContact O-OG1 3.25Å; R188-T193 VanDerWaalsContact O-OG1 3.1Å; R188-H194 PolarHBondContact O-CD2 3.3Å; R188-H194 PolarHBondContact O-NE2 3.12Å
189H94.8Very high97.5Very high144 Ų14457.2 Ų57.267%0.66728%0.275SS*.THydrogen-bonded Turntrans-74.7-8.7-173.865.5-93.5000113.4R187R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.9Å; R187-H189 VanDerWaalsContact O-N 3.12Å
190Q96.6Very high97.4Very high52 Ų5255.4 Ų55.424%0.24326%0.264CS..SBendtrans-86131.6-175-60.9174.9-52.600110.6R187 R188 F192 T193R187-Q190 HydrophobicContact CB-CG 4.15Å; R187-Q190 VanDerWaalsContact O-CB 3.32Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 PolarHBondContact O-N 3.06Å; R188-Q190 PolarHBondContact O-N 3.24Å; Q190-F192 HydrophobicContact CB-CD1 4.31Å; Q190-F192 HydrophobicContact CB-CD2 3.96Å; Q190-F192 HydrophobicContact CB-CE1 3.88Å; Q190-F192 HydrophobicContact CB-CE2 3.47Å; Q190-F192 VanDerWaalsContact CB-CE2 3.47Å; Q190-F192 HydrophobicContact CB-CG 4.37Å; Q190-F192 HydrophobicContact CB-CZ 3.46Å; Q190-F192 VanDerWaalsContact CB-CZ 3.46Å; Q190-F192 HydrophobicContact CG-CE1 4.39Å; Q190-F192 HydrophobicContact CG-CE2 4.16Å; Q190-F192 HydrophobicContact CG-CZ 3.83Å; Q190-F192 PolarHBondContact O-N 2.86Å; Q190-T193 PolarHBondContact O-N 3.37Å; Q190-T193 PolarHBondContact O-OG1 2.69Å
191K96.7Very high97.2Very high145 Ų14555.9 Ų55.963%0.6326%0.263SS*.G310 helixtrans-54.4-32.7-174.9-66.9-177.3178.1178.20114.3R77 T193 H194R77-K191 HydrophobicContact CB-CB 4.4Å; R77-K191 WeakPolarHBondContact CB-O 3.35Å; R77-K191 HydrophobicContact CG-CB 4.2Å; R77-K191 HydrophobicContact CG-CG 4.42Å; K191-T193 PolarHBondContact O-N 3.42Å; K191-H194 WeakPolarHBondContact O-CB 3.49Å; K191-H194 PolarHBondContact O-N 3.44Å; K191-H194 VanDerWaalsContact O-N 3.08Å
192F98.1Very high96.9Very high36 Ų3654.9 Ų54.916%0.15827%0.266CS..G310 helixtrans-67.6-12.217846.8-114.7000114.3C76 T78 A173 L174 R181 Q190C76-F192 PolarHBondContact SG-O 3Å; T78-F192 HydrophobicContact CG2-CB 3.85Å; A173-F192 WeakPolarHBondContact CA-O 3.24Å; A173-F192 HydrophobicContact CB-CB 4.45Å; A173-F192 HydrophobicContact CB-CD2 3.81Å; A173-F192 WeakPolarHBondContact CB-O 3.49Å; L174-F192 PolarHBondContact N-O 3.06Å; L174-F192 WeakPolarHBondContact O-CB 3.49Å; R181-F192 VanDerWaalsContact NE-CZ 3.27Å; Q190-F192 HydrophobicContact CB-CD1 4.31Å; Q190-F192 HydrophobicContact CB-CD2 3.96Å; Q190-F192 HydrophobicContact CB-CE1 3.88Å; Q190-F192 HydrophobicContact CB-CE2 3.47Å; Q190-F192 VanDerWaalsContact CB-CE2 3.47Å; Q190-F192 HydrophobicContact CB-CG 4.37Å; Q190-F192 HydrophobicContact CB-CZ 3.46Å; Q190-F192 VanDerWaalsContact CB-CZ 3.46Å; Q190-F192 HydrophobicContact CG-CE1 4.39Å; Q190-F192 HydrophobicContact CG-CE2 4.16Å; Q190-F192 HydrophobicContact CG-CZ 3.83Å; Q190-F192 PolarHBondContact O-N 2.86Å
193T98.4Very high96.6Very high0 Ų060.9 Ų60.90%029%0.292CS..G310 helixtrans-94-5173.5690000113.2F171 A173 R187 R188 Q190 K191 F195F171-T193 HydrophobicContact CB-CG2 3.69Å; F171-T193 HydrophobicContact CG-CG2 4.21Å; A173-T193 HydrophobicContact CB-CG2 4.24Å; R187-T193 VanDerWaalsContact O-CG2 3.3Å; R187-T193 WeakPolarHBondContact O-CG2 3.37Å; R187-T193 PolarHBondContact O-OG1 2.91Å; R188-T193 PolarHBondContact O-OG1 3.25Å; R188-T193 VanDerWaalsContact O-OG1 3.1Å; Q190-T193 PolarHBondContact O-N 3.37Å; Q190-T193 PolarHBondContact O-OG1 2.69Å; K191-T193 PolarHBondContact O-N 3.42Å; T193-F195 WeakPolarHBondContact O-CD2 3.39Å
194H98.4Very high96.4Very high27 Ų2767 Ų6713%0.12532%0.316CS..  trans-92.7119.9-175.3-60.3170.6000109.1C76 R77 Y153 R188 K191C76-H194 CarbonylContact C-O 3.55Å; C76-H194 WeakPolarHBondContact CA-O 3.32Å; R77-H194 HydrophobicContact CB-CB 3.93Å; R77-H194 PolarHBondContact N-O 3.42Å; Y153-H194 HydrophobicContact CD1-CB 3.66Å; Y153-H194 HydrophobicContact CG-CB 4.02Å; R188-H194 PolarHBondContact O-CD2 3.3Å; R188-H194 PolarHBondContact O-NE2 3.12Å; K191-H194 WeakPolarHBondContact O-CB 3.49Å; K191-H194 PolarHBondContact O-N 3.44Å; K191-H194 VanDerWaalsContact O-N 3.08Å
195F98.6Very high96.2Very high0 Ų066.2 Ų66.20%031%0.311CS..EExtended strand (participates in β ladder)trans-124.8135.2178.8-69.2-95.2000111.5L74 Y75 C76 L82 N154 Y156 V172 L174 T193L74-F195 HydrophobicContact CD1-CB 3.76Å; L74-F195 HydrophobicContact CD2-CB 4.33Å; L74-F195 HydrophobicContact CD2-CD1 4.11Å; L74-F195 HydrophobicContact CD2-CG 4.28Å; L74-F195 HydrophobicContact CG-CB 3.77Å; L74-F195 HydrophobicContact CG-CD1 3.71Å; L74-F195 HydrophobicContact CG-CG 4Å; Y75-F195 CarbonylContact O-C 3.58Å; Y75-F195 VanDerWaalsContact O-CA 3.31Å; Y75-F195 WeakPolarHBondContact O-CA 3.3Å; C76-F195 HydrophobicContact CB-CD1 3.7Å; C76-F195 HydrophobicContact CB-CE1 3.45Å; C76-F195 VanDerWaalsContact CB-CE1 3.45Å; C76-F195 HydrophobicContact CB-CZ 4.02Å; L82-F195 HydrophobicContact CD1-CE1 4.45Å; N154-F195 PolarHBondContact N-O 2.78Å; N154-F195 PolarHBondContact O-N 2.98Å; Y156-F195 HydrophobicContact CD2-CB 4.11Å; Y156-F195 HydrophobicContact CD2-CD2 4.18Å; Y156-F195 HydrophobicContact CD2-CG 4.37Å; Y156-F195 HydrophobicContact CE2-CB 3.77Å; Y156-F195 HydrophobicContact CE2-CG 4.48Å; V172-F195 HydrophobicContact CB-CE2 4.42Å; V172-F195 HydrophobicContact CG1-CE2 4.05Å; V172-F195 HydrophobicContact CG1-CZ 3.96Å; V172-F195 WeakPolarHBondContact O-CE2 3.34Å; L174-F195 HydrophobicContact CD1-CE1 4.13Å; L174-F195 HydrophobicContact CG-CE1 4.19Å; L174-F195 HydrophobicContact CG-CZ 4.16Å; T193-F195 WeakPolarHBondContact O-CD2 3.39Å
196L97.8Very high95.9Very high48 Ų4863.4 Ų63.425%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-102.7114.9175.1178.165000108.7Y75 W152 Y153 R198Y75-L196 HydrophobicContact CD1-CB 4.36Å; Y75-L196 PolarHBondContact N-O 2.75Å; Y75-L196 PolarHBondContact O-N 3.41Å; W152-L196 HydrophobicContact CB-CD1 4.21Å; W152-L196 WeakPolarHBondContact O-CD1 3.35Å; Y153-L196 HydrophobicContact CD1-CB 3.99Å; Y153-L196 HydrophobicContact CE1-CB 3.68Å; Y153-L196 HydrophobicContact CE2-CB 4.45Å; L196-R198 HydrophobicContact CD2-CG 4.25Å; L196-R198 HydrophobicContact CG-CG 4.18Å; L196-R198 PolarHBondContact O-N 3.07Å
197P96.7Very high95.6Very high37 Ų3768.9 Ų68.924%0.2433%0.33CS..EExtended strand (participates in β ladder)trans-64.8116.3168.8-20.333.6000109.8R72 L74 Y156R72-P197 HydrophobicContact CG-CB 4.37Å; L74-P197 HydrophobicContact CD1-CG 4.14Å; Y156-P197 WeakPolarHBondContact OH-CG 3.21Å
198R97.1Very high95.2Very high77 Ų7766.4 Ų66.429%0.29132%0.323SS..EExtended strand (participates in β ladder)trans-104.9148.2178.8-67.3-176.265.4-145-14.7110.8R72 Q73 H81 D96 L196R72-R198 CarbonylContact C-O 3.47Å; R72-R198 VanDerWaalsContact CA-O 3.28Å; R72-R198 WeakPolarHBondContact CA-O 3.23Å; R72-R198 WeakPolarHBondContact CD-O 3.45Å; Q73-R198 HydrophobicContact CB-CB 4.36Å; Q73-R198 PolarHBondContact N-O 3.19Å; Q73-R198 PolarHBondContact O-N 2.9Å; H81-R198 PolarHBondContact CE1-NH1 3.22Å; H81-R198 PolarHBondContact NE2-NH1 2.85Å; D96-R198 IonicContact OD1-CZ 2.71Å; D96-R198 VanDerWaalsContact OD1-CZ 3.23Å; D96-R198 IonicContact OD1-NH1 3.92Å; D96-R198 PolarHBondContact OD1-NH1 3.46Å; D96-R198 IonicContact OD1-NH2 3.96Å; D96-R198 PolarHBondContact OD1-NH2 2.92Å; L196-R198 HydrophobicContact CD2-CG 4.25Å; L196-R198 HydrophobicContact CG-CG 4.18Å; L196-R198 PolarHBondContact O-N 3.07Å
199P95.9Very high94.7Very high99 Ų9962.9 Ų62.964%0.64331%0.309SS*.  trans-64.1160.5175.428.6-35.2000111.6Q73Q73-P199 PolarHBondContact NE2-O 3.1Å
200V96.4Very high94Very high22 Ų2260.5 Ų60.513%0.13330%0.297CS..  trans-115.3126.3173.9-179.40000107.6R71 Q73 I102 P202 V205 Y209R71-V200 HydrophobicContact CB-CG2 4.32Å; Q73-V200 HydrophobicContact CG-CG2 3.87Å; I102-V200 HydrophobicContact CD1-CG1 3.87Å; I102-V200 HydrophobicContact CD1-CG2 4.08Å; I102-V200 HydrophobicContact CG2-CG1 4.19Å; I102-V200 HydrophobicContact CG2-CG2 4.21Å; V200-P202 WeakPolarHBondContact O-CD 3.37Å; V200-V205 HydrophobicContact CG1-CG2 3.86Å; V200-Y209 HydrophobicContact CG1-CE2 4.28Å; V200-Y209 WeakPolarHBondContact CG1-OH 3.1Å
201D94.5Very high92.6Very high65 Ų6566 Ų6635%0.34833%0.328SS..  trans-88.2113.6168.8-178.3-6.6000109.1H97 E203 R204H97-D201 PolarHBondContact NE2-N 3.28Å; D201-E203 PolarHBondContact O-N 2.94Å; D201-E203 PolarHBondContact OD1-N 3.24Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.16Å; D201-R204 PolarHBondContact O-N 3.12Å
202P91.6Very high91.1Very high49 Ų4961.7 Ų61.732%0.31831%0.312SS..G310 helixtrans-58.6-31.4-179.6-24.735.6000114V200 R204 V205 Y209V200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-R204 PolarHBondContact O-N 2.92Å; P202-V205 CarbonylContact O-C 3.32Å; P202-V205 VanDerWaalsContact O-C 3.32Å; P202-V205 PolarHBondContact O-N 2.78Å; P202-Y209 HydrophobicContact CB-CD1 4.03Å; P202-Y209 HydrophobicContact CB-CD2 4.1Å; P202-Y209 HydrophobicContact CB-CE1 4.06Å; P202-Y209 HydrophobicContact CB-CE2 4.17Å; P202-Y209 HydrophobicContact CB-CG 4.05Å; P202-Y209 HydrophobicContact CG-CD1 4.33Å; P202-Y209 HydrophobicContact CG-CE1 3.94Å
203E91.9Very high89.4Confident169 Ų16964.7 Ų64.779%0.7933%0.329SS*.G310 helixtrans-66.8-24.7-178.1-63.6-176.3-179.600112.2D201D201-E203 PolarHBondContact O-N 2.94Å; D201-E203 PolarHBondContact OD1-N 3.24Å
204R94.9Very high87.3Confident130 Ų13067.8 Ų67.849%0.49136%0.36SS..G310 helixtrans-84.4-14179.1-64.2-17164-171-10.1113.8D96 H97 D201 P202D96-R204 PolarHBondContact O-NH2 3.16Å; D96-R204 IonicContact OD2-CZ 3.19Å; D96-R204 IonicContact OD2-NH1 2.77Å; D96-R204 PolarHBondContact OD2-NH1 3.18Å; D96-R204 IonicContact OD2-NH2 2.81Å; D96-R204 PolarHBondContact OD2-NH2 3.36Å; H97-R204 HydrophobicContact CB-CB 4.05Å; H97-R204 PolarHBondContact ND1-NH1 2.82Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.16Å; D201-R204 PolarHBondContact O-N 3.12Å; P202-R204 PolarHBondContact O-N 2.92Å
205V94.1Very high84.8Confident11 Ų1174 Ų747%0.06739%0.389CS..SBendtrans-139.254.1-180-75.20000111.1H97 I102 V200 P202 E207 L208 Y209H97-V205 HydrophobicContact CB-CG1 4.14Å; H97-V205 WeakPolarHBondContact O-CG1 3.47Å; I102-V205 HydrophobicContact CD1-CG1 4.24Å; I102-V205 HydrophobicContact CD1-CG2 4.39Å; I102-V205 HydrophobicContact CG1-CB 4.48Å; I102-V205 HydrophobicContact CG1-CG1 4.07Å; I102-V205 HydrophobicContact CG1-CG2 4.25Å; V200-V205 HydrophobicContact CG1-CG2 3.86Å; P202-V205 CarbonylContact O-C 3.32Å; P202-V205 VanDerWaalsContact O-C 3.32Å; P202-V205 PolarHBondContact O-N 2.78Å; V205-E207 PolarHBondContact O-N 3.3Å; V205-E207 VanDerWaalsContact O-N 3.13Å; V205-L208 HydrophobicContact CB-CD1 4.31Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-Y209 HydrophobicContact CG2-CD2 4.21Å; V205-Y209 HydrophobicContact CG2-CE2 3.72Å; V205-Y209 WeakPolarHBondContact O-CD2 3.45Å
206P91.6Very high82Confident65 Ų6583.1 Ų83.142%0.42245%0.453SS..G310 helixtrans-59.9-34.2-169.224.8-34.7000112.5L208 Y209 K210P206-L208 PolarHBondContact O-N 2.61Å; P206-L208 VanDerWaalsContact O-N 3.1Å; P206-Y209 PolarHBondContact O-N 3.47Å; P206-K210 WeakPolarHBondContact O-CG 3.35Å; P206-K210 PolarHBondContact O-N 2.81Å
207E90.3Very high81.2Confident115 Ų11584.9 Ų84.954%0.53746%0.463SS..G310 helixtrans-50.8-32.9176.2-59.4-58.514100113.8V205 Y209 K210V205-E207 PolarHBondContact O-N 3.3Å; V205-E207 VanDerWaalsContact O-N 3.13Å; E207-Y209 VanDerWaalsContact C-N 3.32Å; E207-K210 VanDerWaalsContact CD-CE 3.42Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 2.96Å; E207-K210 IonicContact OE1-NZ 3.36Å; E207-K210 PolarHBondContact OE1-NZ 3.33Å; E207-K210 WeakPolarHBondContact OE2-CE 3.4Å; E207-K210 IonicContact OE2-NZ 3.42Å; E207-K210 PolarHBondContact OE2-NZ 3.36Å
208L89.3Confident80.4Confident21 Ų2187.4 Ų87.411%0.1147%0.474CS..G310 helixtrans-87.4-2.7-178-57.3-178.2000113.4R71 I102 V118 D119 V205 P206R71-L208 PolarHBondContact NH1-O 2.99Å; R71-L208 PolarHBondContact NH2-O 3.22Å; I102-L208 HydrophobicContact CB-CD1 3.7Å; I102-L208 HydrophobicContact CG1-CD1 3.63Å; I102-L208 HydrophobicContact CG2-CD1 4.1Å; V118-L208 HydrophobicContact CG1-CB 4.16Å; V118-L208 HydrophobicContact CG1-CD1 4.36Å; V118-L208 HydrophobicContact CG1-CD2 4.48Å; D119-L208 HydrophobicContact CB-CD2 3.74Å; V205-L208 HydrophobicContact CB-CD1 4.31Å; V205-L208 PolarHBondContact O-N 3.15Å; P206-L208 PolarHBondContact O-N 2.61Å; P206-L208 VanDerWaalsContact O-N 3.1Å
209Y85.4Confident79.5Confident9 Ų987.9 Ų87.94%0.03549%0.485CS..THydrogen-bonded Turntrans-123.50.4-176.2-69-99.5000113.1I68 R71 V200 P202 V205 P206 E207 D211 I212 L213I68-Y209 HydrophobicContact CG2-CD1 4.37Å; I68-Y209 HydrophobicContact CG2-CE1 3.77Å; R71-Y209 VanDerWaalsContact CD-OH 3.25Å; R71-Y209 WeakPolarHBondContact CD-OH 3.42Å; R71-Y209 VanDerWaalsContact NH1-CD1 3.33Å; R71-Y209 VanDerWaalsContact NH1-CZ 3.29Å; V200-Y209 HydrophobicContact CG1-CE2 4.28Å; V200-Y209 WeakPolarHBondContact CG1-OH 3.1Å; P202-Y209 HydrophobicContact CB-CD1 4.03Å; P202-Y209 HydrophobicContact CB-CD2 4.1Å; P202-Y209 HydrophobicContact CB-CE1 4.06Å; P202-Y209 HydrophobicContact CB-CE2 4.17Å; P202-Y209 HydrophobicContact CB-CG 4.05Å; P202-Y209 HydrophobicContact CG-CD1 4.33Å; P202-Y209 HydrophobicContact CG-CE1 3.94Å; V205-Y209 HydrophobicContact CG2-CD2 4.21Å; V205-Y209 HydrophobicContact CG2-CE2 3.72Å; V205-Y209 WeakPolarHBondContact O-CD2 3.45Å; P206-Y209 PolarHBondContact O-N 3.47Å; E207-Y209 VanDerWaalsContact C-N 3.32Å; Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.46Å; Y209-I212 PolarHBondContact O-N 2.78Å; Y209-L213 WeakPolarHBondContact O-CG 3.46Å; Y209-L213 PolarHBondContact O-N 3.01Å
210K79.3Confident78.5Confident94 Ų9487.3 Ų87.341%0.40948%0.475SS..THydrogen-bonded Turntrans-54.8-45.4-177.6-70.9-175.6171.4175.40113.3P206 E207 I212 L213P206-K210 WeakPolarHBondContact O-CG 3.35Å; P206-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact CD-CE 3.42Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 2.96Å; E207-K210 IonicContact OE1-NZ 3.36Å; E207-K210 PolarHBondContact OE1-NZ 3.33Å; E207-K210 WeakPolarHBondContact OE2-CE 3.4Å; E207-K210 IonicContact OE2-NZ 3.42Å; E207-K210 PolarHBondContact OE2-NZ 3.36Å; K210-I212 PolarHBondContact O-N 3.33Å; K210-I212 VanDerWaalsContact O-N 3.1Å; K210-L213 PolarHBondContact O-N 3.47Å
211D67.3Low77.4Confident166 Ų16691.4 Ų91.489%0.88850%0.497SS*.THydrogen-bonded Turntrans-67.3-13.2-178.1-58-23.2000113.6Y209Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.46Å
212I64.9Low76.2Confident56 Ų5693.1 Ų93.129%0.28751%0.507SS..THydrogen-bonded Turntrans-109.1-39.4-175.5-57.8141.8000110.2I68 Y209 K210 G214I68-I212 HydrophobicContact CD1-CB 3.9Å; I68-I212 HydrophobicContact CD1-CD1 3.26Å; I68-I212 HydrophobicContact CD1-CG1 3.57Å; I68-I212 HydrophobicContact CD1-CG2 3.23Å; I68-I212 HydrophobicContact CG1-CD1 3.68Å; I68-I212 HydrophobicContact CG1-CG1 4.48Å; Y209-I212 PolarHBondContact O-N 2.78Å; K210-I212 PolarHBondContact O-N 3.33Å; K210-I212 VanDerWaalsContact O-N 3.1Å; I212-G214 PolarHBondContact O-N 2.89Å
213L63.8Low75.1Confident99 Ų9996.3 Ų96.352%0.51852%0.52SS..THydrogen-bonded Turntrans-80.97.7-176.9-65.1175.4000113.4Y209 K210 H215Y209-L213 WeakPolarHBondContact O-CG 3.46Å; Y209-L213 PolarHBondContact O-N 3.01Å; K210-L213 PolarHBondContact O-N 3.47Å; L213-H215 VanDerWaalsContact C-N 3.25Å; L213-H215 PolarHBondContact O-N 2.68Å; L213-H215 VanDerWaalsContact O-N 3.17Å; L213-H215 PolarHBondContact O-ND1 2.74Å
214G54.6Low73.9Confident64 Ų6490.7 Ų90.766%0.6650%0.499SS*.THydrogen-bonded Turntrans65.322.2167.900000115.2I212 S216I212-G214 PolarHBondContact O-N 2.89Å; G214-S216 PolarHBondContact O-N 2.97Å; G214-S216 VanDerWaalsContact O-N 3.14Å
215H44.8Very low72.1Confident157 Ų15787.4 Ų87.473%0.72750%0.5SS*.  trans-84.689.9174.7-71.464.6000108.7L213L213-H215 VanDerWaalsContact C-N 3.25Å; L213-H215 PolarHBondContact O-N 2.68Å; L213-H215 VanDerWaalsContact O-N 3.17Å; L213-H215 PolarHBondContact O-ND1 2.74Å
216S39.9Very low70.1Confident192 Ų19294.4 Ų94.4100%1.34354%0.54SS*.  trans-81.40157.6-58.80000110.2G214G214-S216 PolarHBondContact O-N 2.97Å; G214-S216 VanDerWaalsContact O-N 3.14Å

Retrieved 216 of 216 residues in 341.3 ms (Link to these results)