A0A3P9NW24_POERE Loading...

Polymerase delta-interacting protein 2

Involved in DNA damage tolerance by regulating translesion synthesis (TLS) of templates carrying DNA damage lesions such as 8oxoG and abasic sites. May act by stimulating activity of DNA polymerases involved in TLS, such as PRIMPOL and polymerase delta (POLD1).

AlphaFold DB , UniProt , Accession A0A3P9NW24, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 377 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M28.6Very low26.9Very low253 Ų253155.9 Ų155.9100%1.24688%0.88SS**  073.30-77.3-105.1-86.200108.7
2A23.6Very low26.7Very low105 Ų105153.3 Ų153.387%0.86888%0.88SS**  trans-114.6123.1-170.600000109.7
3A21.7Very low26.7Very low101 Ų101147.5 Ų147.584%0.83587%0.874SS**  trans-84.8114.817800000109.8A5A3-A5 PolarHBondContact O-N 2.94Å
4C26.2Very low26.6Very low118 Ų118146.3 Ų146.380%0.79787%0.868SS**  trans-73.6107.1168.1-166.40000108.3L6C4-L6 PolarHBondContact O-N 3.44Å
5A25.7Very low26.5Very low83 Ų83144 Ų14469%0.68686%0.862SS**  trans-88.488.5-176.300000111.1A3 R7A3-A5 PolarHBondContact O-N 2.94Å; A5-R7 PolarHBondContact O-N 3.33Å
6L31.7Very low26.5Very low162 Ų162146.5 Ų146.585%0.84886%0.858SS**  trans-87.890.2155.6-77.6165.6000107.9C4C4-L6 PolarHBondContact O-N 3.44Å
7R28.7Very low26.5Very low241 Ų241151.3 Ų151.391%0.90986%0.86SS**  trans-83.3124.4172.7-89.8-168.7-178.3-149.11.9111A5A5-R7 PolarHBondContact O-N 3.33Å
8R29.9Very low26.4Very low237 Ų237148.6 Ų148.689%0.89485%0.852SS**  trans-61.2122.5160.4-71.5176.9172.9-173.8-2.6109.3L10R8-L10 PolarHBondContact O-N 2.89Å
9G25.7Very low26.5Very low84 Ų84153.7 Ų153.787%0.86686%0.856SS**  trans-83106162.900000109.6
10L25.9Very low26.5Very low162 Ų162155.3 Ų155.385%0.84885%0.854SS**  trans-85.1139.3165.5-101149.8000109.1R8R8-L10 PolarHBondContact O-N 2.89Å
11L27.8Very low26.5Very low169 Ų169156.7 Ų156.789%0.88585%0.854SS**  trans-63.1142.1179.5-65.7153.7000112.9
12S25.2Very low26.2Very low125 Ų125149.3 Ų149.387%0.87483%0.827SS**  trans-166.4124.4137.661.90000111.3
13G26.2Very low26.3Very low78 Ų78152.3 Ų152.380%0.80482%0.823SS**  trans-176.886.4174.300000110
14V25.2Very low26.5Very low130 Ų130158.2 Ų158.279%0.78882%0.824SS**  trans-60.1130.3-174.11750000111.9K16V14-K16 HydrophobicContact CG1-CG 4.3Å
15S25.6Very low26.4Very low112 Ų112160.1 Ų160.178%0.78382%0.824SS**  trans-136.3114.3148.1-170.70000109.6
16K26.3Very low26.3Very low184 Ų184164 Ų16480%0.883%0.833SS**  trans-75.6119174.3-72.9172.7175.81740108.1V14V14-K16 HydrophobicContact CG1-CG 4.3Å
17Y26.7Very low25.9Very low228 Ų228161 Ų16189%0.89483%0.825SS**  trans-140.8115146.2-103.7-84.1000110.1
18S24.4Very low25.8Very low102 Ų102155.6 Ų155.671%0.71382%0.819SS**  trans-81.7131.3171.8170.60000108.9
19R28Very low25.6Very low246 Ų246150.2 Ų150.293%0.92881%0.812SS**  trans-161.7126.3133.4-109.7172.4-168.2-173.73.4111.5
20K26.2Very low25.6Very low185 Ų185153.6 Ų153.680%0.80481%0.81SS**  trans-57.2137.5174.5-63.5166.2173177.90110.9
21H27.3Very low25.7Very low186 Ų186153.6 Ų153.686%0.86181%0.809SS**  trans-155.5110.9130.9-93.3-54.2000110.2
22S23.1Very low25.5Very low98 Ų98153 Ų15369%0.68581%0.807SS**  trans-72.9138.3155.3169.40000107.9
23H25.7Very low25.6Very low168 Ų168152.2 Ų152.278%0.77880%0.802SS**  trans-177.1107.8140-81.3-53000106.8
24R24.3Very low25.5Very low225 Ų225153.6 Ų153.685%0.84980%0.799SS**  97112.481.6-142.5-176.7-165.4-178.92.1110.7
25I23.9Very low25.6Very low157 Ų157156 Ų15681%0.80580%0.8SS**  trans-55.4133.3167-65.1162.5000109.5
26L25.3Very low25.7Very low165 Ų165157.7 Ų157.786%0.86480%0.795SS**  trans-140.6116.4155.8-81.8174.4000110.2
27S23.5Very low25.7Very low98 Ų98155.1 Ų155.169%0.68579%0.794SS**  trans-80.4139.7161.151.30000110.7
28V25.8Very low25.7Very low129 Ų129153.9 Ų153.978%0.78279%0.789SS**  trans-156.897.8156.6178.40000105.8
29T26.2Very low26.1Very low123 Ų123157.1 Ų157.176%0.75579%0.791SS**  55.7130.195.654.10000117.1
30D24.7Very low26.3Very low155 Ų155150.9 Ų150.983%0.82978%0.782SS**  trans-42.5141.4174.6-60.4-63000115.9
31I28.1Very low26.5Very low162 Ų162152.2 Ų152.283%0.83178%0.782SS**  trans-138.4112.9149.4-62.7-176.9000109
32N23.8Very low26.8Very low156 Ų156151.5 Ų151.583%0.83478%0.783SS**  trans-60.5133.5158.3-85.3-35.6000110.3
33S26.5Very low27.2Very low109 Ų109154.5 Ų154.576%0.76279%0.787SS**  trans-154.9111.5140.459.60000111.8
34S25.8Very low27.5Very low107 Ų107151.5 Ų151.575%0.74878%0.783SS**  trans-54.2134.3156.6-27.90000109.5
35F27.6Very low28.2Very low182 Ų182152.1 Ų152.180%0.79879%0.786SS**  trans-159.4115.7146.8-101.6-72.7000112.1
36E26.2Very low29Very low146 Ų146148.8 Ų148.868%0.68278%0.782SS**  trans38.2118.5141-69-179.5142.500121.9Y38E36-Y38 PolarHBondContact O-N 3.42Å
37V27.6Very low29.5Very low130 Ų130145.9 Ų145.979%0.78877%0.774SS**  trans-70.9103.2163.41770000109.6K39V37-K39 HydrophobicContact CG1-CG 4.37Å
38Y25.7Very low30.1Very low203 Ų203145.4 Ų145.480%0.79679%0.785SS**  trans-106.1106.9158-96.4-90.1000109.8E36E36-Y38 PolarHBondContact O-N 3.42Å
39K32.4Very low30.6Very low170 Ų170146.9 Ų146.974%0.73979%0.787SS**  trans-86.3126.4165.3-77.5179.7176.8173.60109V37V37-K39 HydrophobicContact CG1-CG 4.37Å
40P33.3Very low31.1Very low114 Ų114150.1 Ų150.174%0.7480%0.799SS**  trans-92.6109.5151.84.913.8000108.7L42P40-L42 PolarHBondContact O-N 2.97Å
41R29.5Very low31.4Very low213 Ų213145.4 Ų145.480%0.80479%0.787SS**  trans-71.1104.4159.5-78.5-179.1173.7178.1-0.7107.6Q43R41-Q43 PolarHBondContact O-N 3.44Å
42L34.2Very low31.8Very low171 Ų171141.5 Ų141.590%0.89579%0.787SS**  trans-88.493.5161.7-75.3163.4000107.9P40P40-L42 PolarHBondContact O-N 2.97Å
43Q32.3Very low32.2Very low161 Ų161140.2 Ų140.275%0.75278%0.784SS**  trans-85.4110.5164.9-93.4-179.7-12.700108.5R41 R45R41-Q43 PolarHBondContact O-N 3.44Å; Q43-R45 PolarHBondContact O-N 3.28Å
44C30.2Very low32.7Very low105 Ų105143.1 Ų143.171%0.70979%0.786SS**  trans-76.1112.4164.8-174.90000108.9A46C44-A46 PolarHBondContact O-N 3.07Å
45R40Very low33.1Very low239 Ų239145.9 Ų145.990%0.90279%0.787SS**  trans-90.571169-79.8-174170.2-167.6-2109.5Q43Q43-R45 PolarHBondContact O-N 3.28Å
46A40.1Very low33.5Very low87 Ų87145 Ų14572%0.71978%0.782SS**SBendtrans-162.711.3174.300000118.3C44C44-A46 PolarHBondContact O-N 3.07Å
47C36.5Very low33.9Very low104 Ų104148.3 Ų148.370%0.70379%0.789SS**  trans-154.5110.2171.952.70000113.2L49C47-L49 PolarHBondContact O-N 2.94Å
48G36.6Very low34.6Very low88 Ų88150.6 Ų150.691%0.90779%0.788SS**  trans-88.175.9170.900000111.5
49L35Very low35.4Very low160 Ų160149.8 Ų149.884%0.83879%0.794SS**  trans-126.8114.3169.3-77.3167.9000109.8C47 G51C47-L49 PolarHBondContact O-N 2.94Å; L49-G51 PolarHBondContact O-N 2.83Å
50L37.4Very low36Very low190 Ų190146.8 Ų146.8100%0.99580%0.795SS**  trans-72.575.2166.1-78.2160.2000108.8
51G32Very low36.8Very low56 Ų56145.2 Ų145.258%0.57779%0.787SS**  trans-86.1118.116400000108.9L49 V53L49-G51 PolarHBondContact O-N 2.83Å; G51-V53 PolarHBondContact O-N 3.28Å
52G34.7Very low37.9Very low81 Ų81147.2 Ų147.284%0.83579%0.794SS**  trans-57.7100.1175.400000111Q54G52-Q54 PolarHBondContact O-N 3.31Å; G52-Q54 VanDerWaalsContact O-N 3.07Å
53V33.2Very low38.7Very low128 Ų128146 Ų14678%0.77679%0.788SS**  trans-71.3102.9172.41800000107G51 Q55G51-V53 PolarHBondContact O-N 3.28Å; V53-Q55 PolarHBondContact O-N 3.32Å
54Q36.8Very low39.8Very low171 Ų171145.9 Ų145.980%0.79978%0.781SS**  trans-56.2108.4160.7-78.6-174.5-11.500107.4G52 K56G52-Q54 PolarHBondContact O-N 3.31Å; G52-Q54 VanDerWaalsContact O-N 3.07Å; Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 2.83Å
55Q33.4Very low41.1Very low164 Ų164144.3 Ų144.377%0.76677%0.77SS**  trans-64.191.8169.7-91.7-178.1-16.300108.3V53 R57V53-Q55 PolarHBondContact O-N 3.32Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.9Å
56K36.9Very low42.2Very low163 Ų163142.3 Ų142.371%0.70977%0.77SS**  trans-64.296.6159.3-77-175.3177-179.20107Q54 F58Q54-K56 VanDerWaalsContact C-N 3.27Å; Q54-K56 PolarHBondContact O-N 2.83Å; K56-F58 HydrophobicContact CB-CD2 4.23Å; K56-F58 HydrophobicContact CB-CE2 3.89Å; K56-F58 HydrophobicContact CD-CE2 4.46Å; K56-F58 WeakPolarHBondContact O-CD2 3.4Å; K56-F58 PolarHBondContact O-N 2.96Å
57R34.6Very low43.7Very low216 Ų216142 Ų14282%0.81578%0.776SS**  trans-68.297.3169-77.6-175.4177.8-178.8-0.1107.8Q55 M59Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 2.9Å; R57-M59 PolarHBondContact O-N 3.01Å
58F42.3Very low45.6Very low178 Ų178143.4 Ų143.478%0.78177%0.77SS**  trans-73.7111.3166.1-76.8-86.8000108.3K56 S60K56-F58 HydrophobicContact CB-CD2 4.23Å; K56-F58 HydrophobicContact CB-CE2 3.89Å; K56-F58 HydrophobicContact CD-CE2 4.46Å; K56-F58 WeakPolarHBondContact O-CD2 3.4Å; K56-F58 PolarHBondContact O-N 2.96Å; F58-S60 PolarHBondContact O-N 3.27Å
59M42.2Very low47.7Very low187 Ų187146.5 Ų146.592%0.92176%0.764SS**  trans-71.195.7167.6-67.4-166.175.900108.2R57 S61R57-M59 PolarHBondContact O-N 3.01Å; M59-S61 PolarHBondContact O-N 2.92Å
60S45.2Very low50Low107 Ų107145.9 Ų145.975%0.74876%0.761SS**  trans-81.8112.2170.9178.90000109F58F58-S60 PolarHBondContact O-N 3.27Å
61S49.1Very low52Low81 Ų81144.7 Ų144.757%0.56675%0.75SS**  trans-72.5133.1169.3174.50000109.8M59 N63M59-S61 PolarHBondContact O-N 2.92Å; S61-N63 PolarHBondContact O-N 3.06Å; S61-N63 VanDerWaalsContact O-N 3.14Å; S61-N63 PolarHBondContact OG-N 3.1Å
62R53.1Low54.6Low255 Ų255148.2 Ų148.296%0.96276%0.763SS**SBendtrans-63.9-10.7175.1-78.9-178.2174.2178.9-2.5113.8
63N51.2Low57.1Low144 Ų144148.1 Ų148.177%0.7775%0.746SS**  trans-112.756.5177.4-72.3-13000111S61 P65S61-N63 PolarHBondContact O-N 3.06Å; S61-N63 VanDerWaalsContact O-N 3.14Å; S61-N63 PolarHBondContact OG-N 3.1Å; N63-P65 VanDerWaalsContact O-CD 3.3Å; N63-P65 WeakPolarHBondContact O-CD 3.49Å
64R55.8Low59.9Low160 Ų160143.6 Ų143.660%0.60473%0.725SS**PPolyproline II helixtrans-76.3118.7174.3-168.7175.1-177.4-179.1-0.1108.5E66 K68R64-E66 PolarHBondContact O-N 2.96Å; R64-E66 VanDerWaalsContact O-N 3.17Å; R64-K68 PolarHBondContact NH2-O 3.2Å
65P56.9Low62.7Low72 Ų72140 Ų14047%0.46871%0.714SS.*PPolyproline II helixtrans-62120.9166.6-13.828.7000107.1N63 G67 K68N63-P65 VanDerWaalsContact O-CD 3.3Å; N63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-G67 PolarHBondContact O-N 3.12Å; P65-K68 HydrophobicContact CB-CD 4.15Å; P65-K68 HydrophobicContact CB-CG 4.32Å; P65-K68 HydrophobicContact CG-CD 4.08Å; P65-K68 PolarHBondContact O-N 2.79Å
66E62.6Low65.7Low197 Ų197138.5 Ų138.592%0.92171%0.706SS**THydrogen-bonded Turntrans-51.9135.2177.4-73-177.3156.600110R64R64-E66 PolarHBondContact O-N 2.96Å; R64-E66 VanDerWaalsContact O-N 3.17Å
67G72.6Confident68.6Low81 Ų81133.8 Ų133.884%0.83569%0.686SS**THydrogen-bonded Turntrans90.1-1176.700000117.3P65P65-G67 PolarHBondContact O-N 3.12Å
68K75.1Confident71.5Confident133 Ų133127.8 Ų127.858%0.57868%0.683SS**PPolyproline II helixtrans-87.4121.8173.9-65.1-167.1-178.8-173.80112.7R64 P65R64-K68 PolarHBondContact NH2-O 3.2Å; P65-K68 HydrophobicContact CB-CD 4.15Å; P65-K68 HydrophobicContact CB-CG 4.32Å; P65-K68 HydrophobicContact CG-CD 4.08Å; P65-K68 PolarHBondContact O-N 2.79Å
69I81.1Confident74.1Confident152 Ų152122.2 Ų122.278%0.77966%0.663SS**PPolyproline II helixtrans-84.9130.6166.5-58.9175.7000107.3
70L83.1Confident76.6Confident147 Ų147116.9 Ų116.977%0.7764%0.635SS**PPolyproline II helixtrans-93.5128.2175.2-62.6176.9000108.4
71E81Confident78.7Confident165 Ų165119.3 Ų119.377%0.77164%0.635SS**PPolyproline II helixtrans-99.9136173.2-66.8-165.1149.400110.5V73E71-V73 PolarHBondContact O-N 3.3Å
72P85.8Confident80.5Confident130 Ų130123.5 Ų123.584%0.84465%0.645SS**  trans-66.3114.1172.1-16.530.1000110.5
73V87.1Confident82.3Confident80 Ų80114.1 Ų114.149%0.48563%0.627SS.*  trans-91.6-13.1176-63.80000113.2E71 S195E71-V73 PolarHBondContact O-N 3.3Å; V73-S195 VanDerWaalsContact O-CB 3.23Å; V73-S195 WeakPolarHBondContact O-CB 3.33Å; V73-S195 PolarHBondContact O-OG 2.94Å
74G92.1Very high84.5Confident33 Ų33111.1 Ų111.134%0.3461%0.607SS.*  trans176.8176.4-179.300000114.5N194G74-N194 CarbonylContact C-O 3.6Å; G74-N194 WeakPolarHBondContact CA-O 3.33Å
75V95.5Very high86.5Confident94 Ų94103.7 Ų103.757%0.5758%0.579SS**EExtended strand (participates in β ladder)trans-125.1127.8179.3-174.90000109.7Y193 N194V75-Y193 CarbonylContact O-C 3.5Å; V75-Y193 WeakPolarHBondContact O-CA 3.38Å; V75-Y193 WeakPolarHBondContact O-CB 3.39Å; V75-N194 WeakPolarHBondContact CB-OD1 3.49Å; V75-N194 PolarHBondContact N-O 2.88Å; V75-N194 PolarHBondContact O-N 2.6Å
76F97.4Very high88.4Confident133 Ų133105.5 Ų105.558%0.58358%0.581SS**EExtended strand (participates in β ladder)trans-62.2144.3176.5-75.2-67.3000112.3L92 L191F76-L92 HydrophobicContact CE1-CD1 3.79Å; F76-L92 HydrophobicContact CE1-CG 4.25Å; F76-L92 HydrophobicContact CZ-CD1 3.57Å; F76-L92 HydrophobicContact CZ-CG 4.5Å; F76-L191 HydrophobicContact CE1-CB 4.25Å
77E96.3Very high90.1Very high65 Ų6597.5 Ų97.530%0.30455%0.546SS..  trans-106164.1172-64.9175.4-179.300109.9Q89 P192 N194E77-Q89 PolarHBondContact OE2-NE2 3.06Å; E77-P192 HydrophobicContact CB-CB 4.04Å; E77-P192 HydrophobicContact CB-CG 3.92Å; E77-P192 PolarHBondContact N-O 3.09Å; E77-N194 WeakPolarHBondContact OE1-CB 3.38Å; E77-N194 PolarHBondContact OE1-ND2 3.5Å
78A95.9Very high91.3Very high90 Ų9093.7 Ų93.774%0.74451%0.507SS*.PPolyproline II helixtrans-69.6133.8172.900000110K80A78-K80 PolarHBondContact O-N 2.97Å
79V96.8Very high92.4Very high61 Ų6187.6 Ų87.637%0.3748%0.48SS..PPolyproline II helixtrans-59.1128171.9179.30000108.9Q81 L191V79-Q81 PolarHBondContact O-N 3.03Å; V79-L191 HydrophobicContact CG2-CD2 4.18Å
80K94.3Very high93.2Very high75 Ų7580.7 Ų80.733%0.32645%0.445SS..PPolyproline II helixtrans-68.5122178.4-69.1-171.8-175.2-173.10109.6A78 K84 Y85 H187A78-K80 PolarHBondContact O-N 2.97Å; K80-K84 PolarHBondContact NZ-O 3.32Å; K80-Y85 HydrophobicContact CB-CE1 4.15Å; K80-Y85 HydrophobicContact CD-CD1 3.98Å; K80-Y85 HydrophobicContact CD-CE1 3.91Å; K80-Y85 HydrophobicContact CG-CD1 4.34Å; K80-Y85 HydrophobicContact CG-CE1 3.75Å; K80-Y85 PolarHBondContact N-OH 3.02Å; K80-H187 PolarHBondContact O-NE2 3.23Å; K80-H187 VanDerWaalsContact O-NE2 3.09Å
81Q90.4Very high94Very high158 Ų15873.7 Ų73.774%0.73841%0.408SS*.SBendtrans-81.6-25.9171.7-60.7-62.5-34.700111.7V79V79-Q81 PolarHBondContact O-N 3.03Å
82H87Confident94.8Very high169 Ų16968 Ų6878%0.78238%0.383SS*.SBendtrans-138.8151.6-178.3-52.991.5000109.9
83G91.3Very high95.3Very high57 Ų5761.9 Ų61.959%0.58834%0.343SS*.SBendtrans82-171.6-177.100000112.7H187G83-H187 PolarHBondContact O-CE1 3.05Å
84K96.3Very high95.7Very high82 Ų8260.6 Ų60.636%0.35734%0.337SS..  trans-117.1157.5-176.6-58.7176.7-175.8158.30110.7K80 P105 H107 T141 Y143K80-K84 PolarHBondContact NZ-O 3.32Å; K84-P105 HydrophobicContact CD-CB 4.09Å; K84-P105 HydrophobicContact CD-CG 4.1Å; K84-H107 WeakPolarHBondContact CE-NE2 3.35Å; K84-H107 PolarHBondContact NZ-CE1 3.34Å; K84-H107 PolarHBondContact NZ-NE2 3.11Å; K84-T141 HydrophobicContact CD-CG2 4.17Å; K84-T141 HydrophobicContact CG-CG2 4.06Å; K84-Y143 WeakPolarHBondContact CA-OH 3.39Å
85Y97.8Very high95.8Very high3 Ų360.7 Ų60.71%0.01233%0.331CS..PPolyproline II helixtrans-74.9142.3163.1-63.8-71.4000109.6K80 Q89 Y143 H187 I190 P192K80-Y85 HydrophobicContact CB-CE1 4.15Å; K80-Y85 HydrophobicContact CD-CD1 3.98Å; K80-Y85 HydrophobicContact CD-CE1 3.91Å; K80-Y85 HydrophobicContact CG-CD1 4.34Å; K80-Y85 HydrophobicContact CG-CE1 3.75Å; K80-Y85 PolarHBondContact N-OH 3.02Å; Y85-Q89 HydrophobicContact CD1-CG 3.74Å; Y85-Q89 HydrophobicContact CG-CG 4.18Å; Y85-Y143 HydrophobicContact CD2-CE1 4.39Å; Y85-Y143 HydrophobicContact CD2-CE2 4.09Å; Y85-Y143 AromaticContact CD2-CZ 3.75Å; Y85-Y143 WeakPolarHBondContact CD2-OH 3.48Å; Y85-Y143 PolarHBondContact N-OH 3.46Å; Y85-H187 AromaticContact CD2-CE1 3.79Å; Y85-H187 AromaticContact CD2-NE2 3.96Å; Y85-H187 AromaticContact CE2-CD2 3.68Å; Y85-H187 AromaticContact CE2-CE1 3.58Å; Y85-H187 AromaticContact CE2-NE2 3.27Å; Y85-H187 VanDerWaalsContact CE2-NE2 3.27Å; Y85-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y85-H187 AromaticContact CZ-NE2 3.85Å; Y85-I190 HydrophobicContact CD1-CG2 4.23Å; Y85-I190 HydrophobicContact CD2-CB 4.07Å; Y85-I190 HydrophobicContact CD2-CD1 3.55Å; Y85-I190 HydrophobicContact CD2-CG1 4.4Å; Y85-I190 HydrophobicContact CD2-CG2 3.74Å; Y85-I190 HydrophobicContact CE1-CG2 4.02Å; Y85-I190 HydrophobicContact CE2-CB 3.67Å; Y85-I190 HydrophobicContact CE2-CD1 4.04Å; Y85-I190 HydrophobicContact CE2-CG1 4.43Å; Y85-I190 HydrophobicContact CE2-CG2 3.48Å; Y85-I190 VanDerWaalsContact CE2-CG2 3.48Å; Y85-I190 HydrophobicContact CG-CD1 4.27Å; Y85-I190 HydrophobicContact CG-CG2 4.09Å; Y85-P192 HydrophobicContact CD1-CB 4.47Å; Y85-P192 HydrophobicContact CE1-CB 3.81Å; Y85-P192 HydrophobicContact CE1-CG 3.85Å
86E97.1Very high95.7Very high110 Ų11056.3 Ų56.351%0.51431%0.305SS..PPolyproline II helixtrans-87.1158.7-179.9-61-168148.300110.4G88 Q89 P218E86-G88 PolarHBondContact O-N 2.87Å; E86-Q89 VanDerWaalsContact O-CB 3.31Å; E86-Q89 WeakPolarHBondContact O-CB 3.35Å; E86-Q89 PolarHBondContact O-N 2.87Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; E86-P218 HydrophobicContact CB-CG 4.39Å; E86-P218 WeakPolarHBondContact OE2-CD 3.27Å
87T98Very high95.6Very high30 Ų3052.2 Ų52.218%0.18430%0.3CS..THydrogen-bonded Turntrans-50.7132.6166.5-59.80000109.6L103 L210 P222 L226T87-L103 VanDerWaalsContact CB-O 3.27Å; T87-L103 WeakPolarHBondContact CB-O 3.3Å; T87-L103 WeakPolarHBondContact CG2-O 3.45Å; T87-L103 PolarHBondContact OG1-O 3.4Å; T87-L210 HydrophobicContact CG2-CD2 3.62Å; T87-P222 HydrophobicContact CG2-CB 4.2Å; T87-P222 HydrophobicContact CG2-CG 4.49Å; T87-L226 HydrophobicContact CG2-CD2 3.84Å
88G97.9Very high95.5Very high0 Ų049.2 Ų49.20%029%0.286CS..THydrogen-bonded Turntrans92.4-5.5-178.700000115.3E86 L90 V102 P218E86-G88 PolarHBondContact O-N 2.87Å; G88-L90 PolarHBondContact O-N 2.73Å; G88-V102 PolarHBondContact N-O 3.29Å; G88-P218 WeakPolarHBondContact O-CB 3.33Å
89Q98.4Very high95.6Very high6 Ų647.6 Ų47.63%0.02826%0.261CS..  trans-61.9119.1175178.972.261.800110.3E77 Y85 E86 I101 V102 P192 Y193 P218E77-Q89 PolarHBondContact OE2-NE2 3.06Å; Y85-Q89 HydrophobicContact CD1-CG 3.74Å; Y85-Q89 HydrophobicContact CG-CG 4.18Å; E86-Q89 VanDerWaalsContact O-CB 3.31Å; E86-Q89 WeakPolarHBondContact O-CB 3.35Å; E86-Q89 PolarHBondContact O-N 2.87Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; Q89-I101 WeakPolarHBondContact O-CA 3.2Å; Q89-V102 HydrophobicContact CB-CB 4.08Å; Q89-V102 HydrophobicContact CB-CG2 3.94Å; Q89-V102 HydrophobicContact CG-CG2 4.45Å; Q89-V102 PolarHBondContact O-N 3.48Å; Q89-P192 HydrophobicContact CG-CB 4.35Å; Q89-Y193 PolarHBondContact NE2-O 3.11Å; Q89-P218 HydrophobicContact CB-CG 4.12Å
90L98.5Very high95.7Very high6 Ų644.7 Ų44.73%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-77.9145.1169.4-54.3172.1000110G88 G100 I101 P192 Y193 P200 I201G88-L90 PolarHBondContact O-N 2.73Å; L90-G100 WeakPolarHBondContact CA-O 3.43Å; L90-I101 HydrophobicContact CD2-CB 4.06Å; L90-I101 HydrophobicContact CD2-CD1 3.71Å; L90-I101 HydrophobicContact CD2-CG1 4.02Å; L90-P192 WeakPolarHBondContact O-CA 3.5Å; L90-Y193 HydrophobicContact CB-CD1 4.16Å; L90-Y193 HydrophobicContact CB-CD2 4.17Å; L90-Y193 HydrophobicContact CB-CE1 3.83Å; L90-Y193 HydrophobicContact CB-CE2 3.84Å; L90-Y193 HydrophobicContact CB-CG 4.31Å; L90-Y193 WeakPolarHBondContact CB-O 3.45Å; L90-Y193 HydrophobicContact CD1-CD2 4.33Å; L90-Y193 HydrophobicContact CD1-CE2 3.74Å; L90-Y193 HydrophobicContact CG-CE2 4.41Å; L90-Y193 PolarHBondContact O-N 2.74Å; L90-P200 HydrophobicContact CD1-CB 3.79Å; L90-P200 HydrophobicContact CD1-CG 3.85Å; L90-P200 HydrophobicContact CD2-CB 3.98Å; L90-P200 HydrophobicContact CD2-CG 3.56Å; L90-P200 HydrophobicContact CG-CG 4.31Å; L90-I201 HydrophobicContact CD2-CD1 4.25Å; L90-I201 HydrophobicContact CD2-CG1 3.91Å
91F98.6Very high95.9Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-152.5156.8178.874.1-80.4000112.9H93 Y98 R99 G100 V102 V145 V185 I190 L191 Y193F91-H93 HydrophobicContact CE2-CB 4.19Å; F91-Y98 AromaticContact CE2-CE2 3.95Å; F91-Y98 HydrophobicContact CE2-CE2 3.95Å; F91-Y98 AromaticContact CZ-CE2 3.92Å; F91-Y98 HydrophobicContact CZ-CE2 3.92Å; F91-R99 WeakPolarHBondContact O-CA 3.13Å; F91-G100 VanDerWaalsContact CD1-C 3.41Å; F91-G100 VanDerWaalsContact CD1-O 3.29Å; F91-G100 WeakPolarHBondContact CD1-O 3.33Å; F91-G100 PolarHBondContact N-O 3.23Å; F91-G100 PolarHBondContact O-N 3.17Å; F91-V102 HydrophobicContact CD1-CG2 4.22Å; F91-V102 HydrophobicContact CE1-CG2 4.42Å; F91-V145 HydrophobicContact CE1-CB 3.88Å; F91-V145 HydrophobicContact CE1-CG1 3.68Å; F91-V145 HydrophobicContact CE1-CG2 4.45Å; F91-V145 HydrophobicContact CZ-CB 3.9Å; F91-V145 HydrophobicContact CZ-CG1 3.79Å; F91-V145 HydrophobicContact CZ-CG2 3.97Å; F91-V185 HydrophobicContact CE2-CG1 4.45Å; F91-V185 HydrophobicContact CZ-CG1 4.36Å; F91-V185 HydrophobicContact CZ-CG2 4.31Å; F91-I190 HydrophobicContact CB-CB 4.36Å; F91-I190 HydrophobicContact CB-CG2 3.56Å; F91-I190 HydrophobicContact CD2-CB 4.39Å; F91-I190 HydrophobicContact CD2-CG1 4.04Å; F91-I190 HydrophobicContact CD2-CG2 4.46Å; F91-I190 HydrophobicContact CE2-CG1 4.41Å; F91-I190 HydrophobicContact CG-CB 4.45Å; F91-I190 HydrophobicContact CG-CG1 4.19Å; F91-I190 HydrophobicContact CG-CG2 4.05Å; F91-L191 CarbonylContact C-O 3.36Å; F91-L191 WeakPolarHBondContact CA-O 3.03Å; F91-L191 WeakPolarHBondContact CB-O 3.38Å; F91-Y193 VanDerWaalsContact C-CE1 3.43Å; F91-Y193 WeakPolarHBondContact O-CE1 3.27Å
92L98.1Very high96.3Very high46 Ų4633.6 Ų33.624%0.24119%0.192CC..EExtended strand (participates in β ladder)trans-97.3134.6158.2-64.7-177.6000109F76 S94 Y98 R99 L191 Y193F76-L92 HydrophobicContact CE1-CD1 3.79Å; F76-L92 HydrophobicContact CE1-CG 4.25Å; F76-L92 HydrophobicContact CZ-CD1 3.57Å; F76-L92 HydrophobicContact CZ-CG 4.5Å; L92-S94 PolarHBondContact O-N 2.83Å; L92-Y98 CarbonylContact C-O 3.41Å; L92-Y98 VanDerWaalsContact CA-O 3.31Å; L92-Y98 WeakPolarHBondContact CA-O 3.43Å; L92-R99 HydrophobicContact CD2-CB 4.28Å; L92-R99 HydrophobicContact CD2-CG 3.54Å; L92-L191 HydrophobicContact CB-CB 4.32Å; L92-L191 PolarHBondContact N-O 3.45Å; L92-L191 VanDerWaalsContact O-CB 3.31Å; L92-L191 WeakPolarHBondContact O-CB 3.45Å; L92-L191 PolarHBondContact O-N 2.88Å; L92-Y193 HydrophobicContact CD2-CE1 4.26Å; L92-Y193 HydrophobicContact CG-CD1 4.29Å; L92-Y193 HydrophobicContact CG-CE1 4.28Å
93H97.3Very high96.8Very high1 Ų125.6 Ų25.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-65.7122172.7-169.6-57.4000109.4F91 V95 F96 G97 Y98 D189 R277F91-H93 HydrophobicContact CE2-CB 4.19Å; H93-V95 VanDerWaalsContact C-N 3.27Å; H93-V95 PolarHBondContact ND1-N 3.36Å; H93-V95 PolarHBondContact O-N 2.89Å; H93-F96 HydrophobicContact CB-CB 4.43Å; H93-F96 AromaticContact CE1-CD2 3.58Å; H93-F96 AromaticContact ND1-CD2 3.84Å; H93-F96 PolarHBondContact ND1-N 2.9Å; H93-F96 VanDerWaalsContact ND1-N 3.14Å; H93-F96 AromaticContact NE2-CD2 3.69Å; H93-G97 WeakPolarHBondContact O-CA 3.46Å; H93-G97 PolarHBondContact O-N 3.43Å; H93-Y98 HydrophobicContact CB-CD1 3.83Å; H93-Y98 HydrophobicContact CB-CD2 3.94Å; H93-Y98 HydrophobicContact CB-CE1 3.75Å; H93-Y98 HydrophobicContact CB-CE2 3.82Å; H93-Y98 HydrophobicContact CB-CG 3.96Å; H93-Y98 AromaticContact CD2-CE1 3.53Å; H93-Y98 AromaticContact CD2-CZ 3.4Å; H93-Y98 PolarHBondContact CD2-OH 3.2Å; H93-Y98 VanDerWaalsContact CD2-OH 3.3Å; H93-Y98 AromaticContact CG-CE1 3.77Å; H93-Y98 AromaticContact CG-CZ 3.88Å; H93-Y98 PolarHBondContact N-O 3.24Å; H93-D189 CarbonylContact C-O 3.51Å; H93-D189 VanDerWaalsContact CA-O 3.31Å; H93-D189 WeakPolarHBondContact CA-O 3.37Å; H93-D189 VanDerWaalsContact CE1-CG 3.47Å; H93-D189 IonicContact CE1-OD1 3.92Å; H93-D189 PolarHBondContact CE1-OD1 3.06Å; H93-D189 IonicContact NE2-OD1 2.66Å; H93-D189 IonicContact NE2-OD2 3.86Å; H93-R277 PolarHBondContact NE2-NH2 3.41Å
94S95.6Very high97Very high53 Ų5322.9 Ų22.937%0.37113%0.127SC..THydrogen-bonded Turntrans-60.2-35.7-173.1660000113.4L92 E188 D189L92-S94 PolarHBondContact O-N 2.83Å; S94-E188 PolarHBondContact OG-O 2.51Å; S94-D189 PolarHBondContact N-O 3.35Å; S94-D189 WeakPolarHBondContact OG-CA 3.32Å
95V93.4Very high96.9Very high35 Ų3520.5 Ų20.521%0.21212%0.12CC..THydrogen-bonded Turntrans-87.3-56.5176.9-173.60000113.6H93 A323H93-V95 VanDerWaalsContact C-N 3.27Å; H93-V95 PolarHBondContact ND1-N 3.36Å; H93-V95 PolarHBondContact O-N 2.89Å; V95-A323 HydrophobicContact CG1-CB 3.28Å
96F93.8Very high96.7Very high3 Ų320.4 Ų20.41%0.01312%0.12CC..THydrogen-bonded Turntrans-85.8-17.7-172.3-64-62.1000114.5H93 Y98 I155 R158 A323 Q325H93-F96 HydrophobicContact CB-CB 4.43Å; H93-F96 AromaticContact CE1-CD2 3.58Å; H93-F96 AromaticContact ND1-CD2 3.84Å; H93-F96 PolarHBondContact ND1-N 2.9Å; H93-F96 VanDerWaalsContact ND1-N 3.14Å; H93-F96 AromaticContact NE2-CD2 3.69Å; F96-Y98 VanDerWaalsContact C-N 3.33Å; F96-Y98 HydrophobicContact CB-CD1 3.69Å; F96-Y98 HydrophobicContact CB-CE1 4.03Å; F96-Y98 HydrophobicContact CD2-CE1 4.3Å; F96-Y98 PolarHBondContact O-N 2.81Å; F96-I155 HydrophobicContact CB-CG2 4.41Å; F96-I155 WeakPolarHBondContact O-CG2 3.29Å; F96-R158 HydrophobicContact CD1-CB 4.26Å; F96-R158 HydrophobicContact CE1-CB 4.24Å; F96-R158 PolarHBondContact O-NH2 3.45Å; F96-A323 HydrophobicContact CE1-CB 3.96Å; F96-A323 HydrophobicContact CZ-CB 4.07Å; F96-Q325 HydrophobicContact CE1-CB 4.46Å; F96-Q325 HydrophobicContact CE2-CB 3.92Å; F96-Q325 HydrophobicContact CZ-CB 3.54Å
97G94.5Very high96.5Very high47 Ų4719.1 Ų19.149%0.48511%0.114SC..  trans77917400000115.7H93H93-G97 WeakPolarHBondContact O-CA 3.46Å; H93-G97 PolarHBondContact O-N 3.43Å
98Y95.7Very high96.2Very high1 Ų117.9 Ų17.90%0.00411%0.106CC..  trans-78150.2178.263.8-112.3000111.9F91 L92 H93 F96 I147 I155 D183 V185F91-Y98 AromaticContact CE2-CE2 3.95Å; F91-Y98 HydrophobicContact CE2-CE2 3.95Å; F91-Y98 AromaticContact CZ-CE2 3.92Å; F91-Y98 HydrophobicContact CZ-CE2 3.92Å; L92-Y98 CarbonylContact C-O 3.41Å; L92-Y98 VanDerWaalsContact CA-O 3.31Å; L92-Y98 WeakPolarHBondContact CA-O 3.43Å; H93-Y98 HydrophobicContact CB-CD1 3.83Å; H93-Y98 HydrophobicContact CB-CD2 3.94Å; H93-Y98 HydrophobicContact CB-CE1 3.75Å; H93-Y98 HydrophobicContact CB-CE2 3.82Å; H93-Y98 HydrophobicContact CB-CG 3.96Å; H93-Y98 AromaticContact CD2-CE1 3.53Å; H93-Y98 AromaticContact CD2-CZ 3.4Å; H93-Y98 PolarHBondContact CD2-OH 3.2Å; H93-Y98 VanDerWaalsContact CD2-OH 3.3Å; H93-Y98 AromaticContact CG-CE1 3.77Å; H93-Y98 AromaticContact CG-CZ 3.88Å; H93-Y98 PolarHBondContact N-O 3.24Å; F96-Y98 VanDerWaalsContact C-N 3.33Å; F96-Y98 HydrophobicContact CB-CD1 3.69Å; F96-Y98 HydrophobicContact CB-CE1 4.03Å; F96-Y98 HydrophobicContact CD2-CE1 4.3Å; F96-Y98 PolarHBondContact O-N 2.81Å; Y98-I147 HydrophobicContact CD1-CD1 4.38Å; Y98-I147 HydrophobicContact CD2-CB 4.4Å; Y98-I147 HydrophobicContact CD2-CG1 4.09Å; Y98-I147 HydrophobicContact CD2-CG2 3.91Å; Y98-I147 HydrophobicContact CE1-CD1 3.95Å; Y98-I147 HydrophobicContact CE1-CG1 4.36Å; Y98-I147 HydrophobicContact CE2-CB 4.47Å; Y98-I147 HydrophobicContact CE2-CD1 4.22Å; Y98-I147 HydrophobicContact CE2-CG1 3.72Å; Y98-I147 HydrophobicContact CE2-CG2 4.41Å; Y98-I147 HydrophobicContact CG-CG2 3.98Å; Y98-I155 HydrophobicContact CD1-CD1 3.54Å; Y98-I155 HydrophobicContact CE1-CD1 4.31Å; Y98-I155 HydrophobicContact CG-CD1 4.06Å; Y98-D183 PolarHBondContact OH-OD2 3.11Å; Y98-V185 VanDerWaalsContact OH-CG1 3.24Å; Y98-V185 WeakPolarHBondContact OH-CG1 3.1Å
99R97.8Very high96Very high57 Ų5724.8 Ų24.822%0.21513%0.133CC..EExtended strand (participates in β ladder)trans-73.3137.2165.8-66.3179.1-64.7-78.3-9.1110F91 L92 D148 D151 I201F91-R99 WeakPolarHBondContact O-CA 3.13Å; L92-R99 HydrophobicContact CD2-CB 4.28Å; L92-R99 HydrophobicContact CD2-CG 3.54Å; R99-D148 HydrophobicContact CB-CB 3.75Å; R99-D148 IonicContact CZ-OD2 3.54Å; R99-D148 IonicContact NE-OD2 3.9Å; R99-D148 PolarHBondContact NE-OD2 2.84Å; R99-D148 IonicContact NH2-OD1 3.79Å; R99-D148 IonicContact NH2-OD2 2.61Å; R99-D148 PolarHBondContact NH2-OD2 2.97Å; R99-D148 WeakPolarHBondContact O-CB 3.31Å; R99-D148 PolarHBondContact O-N 2.95Å; R99-D151 WeakPolarHBondContact CB-OD2 3.31Å; R99-D151 WeakPolarHBondContact CG-OD2 3.41Å; R99-D151 IonicContact CZ-OD1 3.76Å; R99-D151 IonicContact CZ-OD2 3.78Å; R99-D151 PolarHBondContact N-OD2 3.25Å; R99-D151 IonicContact NE-OD2 3.15Å; R99-D151 IonicContact NH1-OD1 3.3Å; R99-D151 PolarHBondContact NH1-OD1 2.87Å; R99-D151 VanDerWaalsContact NH1-OD1 3.14Å; R99-D151 IonicContact NH1-OD2 2.7Å; R99-D151 PolarHBondContact NH1-OD2 3.14Å; R99-D151 IonicContact NH2-OD1 3.9Å; R99-D151 PolarHBondContact NH2-OD1 2.82Å; R99-D151 IonicContact NH2-OD2 2.78Å; R99-D151 PolarHBondContact NH2-OD2 3.08Å; R99-I201 HydrophobicContact CB-CD1 3.97Å
100G97.8Very high95.9Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-148.8172.5174.500000113L90 F91 L146L90-G100 WeakPolarHBondContact CA-O 3.43Å; F91-G100 VanDerWaalsContact CD1-C 3.41Å; F91-G100 VanDerWaalsContact CD1-O 3.29Å; F91-G100 WeakPolarHBondContact CD1-O 3.33Å; F91-G100 PolarHBondContact N-O 3.23Å; F91-G100 PolarHBondContact O-N 3.17Å; G100-L146 CarbonylContact C-O 3.55Å; G100-L146 WeakPolarHBondContact CA-O 3.46Å
101I98.4Very high95.7Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-134.4136.3175.2-170.4163.8000111.2Q89 L90 V145 L146 I201 F206 L210 F220Q89-I101 WeakPolarHBondContact O-CA 3.2Å; L90-I101 HydrophobicContact CD2-CB 4.06Å; L90-I101 HydrophobicContact CD2-CD1 3.71Å; L90-I101 HydrophobicContact CD2-CG1 4.02Å; I101-V145 VanDerWaalsContact O-CA 3.28Å; I101-V145 WeakPolarHBondContact O-CA 3.47Å; I101-V145 WeakPolarHBondContact O-CB 3.35Å; I101-L146 HydrophobicContact CG2-CB 3.89Å; I101-L146 HydrophobicContact CG2-CD1 4.39Å; I101-L146 PolarHBondContact N-O 2.94Å; I101-L146 PolarHBondContact O-N 3.26Å; I101-I201 HydrophobicContact CB-CG1 3.96Å; I101-I201 HydrophobicContact CG2-CB 4.43Å; I101-I201 HydrophobicContact CG2-CG1 3.98Å; I101-I201 HydrophobicContact CG2-CG2 4.38Å; I101-F206 HydrophobicContact CD1-CD2 4.44Å; I101-F206 HydrophobicContact CD1-CE2 3.66Å; I101-F206 HydrophobicContact CG2-CD2 4.3Å; I101-F206 HydrophobicContact CG2-CE2 4.47Å; I101-L210 HydrophobicContact CD1-CD1 3.41Å; I101-L210 VanDerWaalsContact CD1-CD1 3.41Å; I101-L210 HydrophobicContact CG1-CD1 4.01Å; I101-L210 HydrophobicContact CG2-CD1 4.28Å; I101-F220 HydrophobicContact CD1-CD2 4.06Å; I101-F220 HydrophobicContact CD1-CG 4.36Å
102V98.4Very high95.5Very high0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans-72.2128.4178.5175.20000110.6G88 Q89 F91 Y143 V145 I190G88-V102 PolarHBondContact N-O 3.29Å; Q89-V102 HydrophobicContact CB-CB 4.08Å; Q89-V102 HydrophobicContact CB-CG2 3.94Å; Q89-V102 HydrophobicContact CG-CG2 4.45Å; Q89-V102 PolarHBondContact O-N 3.48Å; F91-V102 HydrophobicContact CD1-CG2 4.22Å; F91-V102 HydrophobicContact CE1-CG2 4.42Å; V102-Y143 HydrophobicContact CG1-CD1 3.62Å; V102-Y143 HydrophobicContact CG1-CE1 4.35Å; V102-Y143 HydrophobicContact CG1-CG 4.34Å; V102-Y143 HydrophobicContact CG2-CD1 4.46Å; V102-V145 HydrophobicContact CG2-CG1 4.39Å; V102-I190 HydrophobicContact CG2-CD1 3.92Å
103L97.4Very high95.3Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-89.4-60.1171.7-63.8-175.8000110.8T87 Q144 L146 L182 F209 L226T87-L103 VanDerWaalsContact CB-O 3.27Å; T87-L103 WeakPolarHBondContact CB-O 3.3Å; T87-L103 WeakPolarHBondContact CG2-O 3.45Å; T87-L103 PolarHBondContact OG1-O 3.4Å; L103-Q144 VanDerWaalsContact CB-O 3.32Å; L103-Q144 WeakPolarHBondContact CB-O 3.47Å; L103-Q144 HydrophobicContact CD1-CG 4.33Å; L103-Q144 PolarHBondContact N-O 2.84Å; L103-L146 HydrophobicContact CD1-CD2 4.13Å; L103-L146 HydrophobicContact CD1-CG 3.99Å; L103-L146 HydrophobicContact CD2-CD1 3.94Å; L103-L146 HydrophobicContact CD2-CG 3.93Å; L103-L146 HydrophobicContact CG-CG 4.12Å; L103-L182 HydrophobicContact CD1-CD1 3.74Å; L103-F209 HydrophobicContact CD1-CD2 4.07Å; L103-F209 HydrophobicContact CD1-CE2 4.14Å; L103-F209 HydrophobicContact CD2-CB 4.46Å; L103-F209 HydrophobicContact CD2-CD2 4.04Å; L103-L226 HydrophobicContact CB-CD1 4.11Å; L103-L226 HydrophobicContact CD1-CD1 4.32Å; L103-L226 HydrophobicContact CD2-CD1 4.18Å; L103-L226 HydrophobicContact CD2-CD2 4.21Å; L103-L226 HydrophobicContact CG-CD1 4.46Å
104F95.8Very high95Very high1 Ų133 Ų330%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-160.9152.5176.551.3-89.6000111Y143 Q144 L226 W229 Q230 L237F104-Y143 WeakPolarHBondContact O-CA 3.29Å; F104-Q144 HydrophobicContact CE1-CB 4.25Å; F104-Q144 HydrophobicContact CE2-CB 4.11Å; F104-Q144 HydrophobicContact CZ-CB 3.94Å; F104-Q144 HydrophobicContact CZ-CG 4.43Å; F104-Q144 PolarHBondContact O-N 3.49Å; F104-L226 HydrophobicContact CD1-CD1 4.08Å; F104-L226 HydrophobicContact CE1-CD1 4.16Å; F104-W229 AromaticContact CE1-CD1 3.62Å; F104-W229 AromaticContact CE1-NE1 3.86Å; F104-W229 AromaticContact CZ-NE1 3.96Å; F104-Q230 HydrophobicContact CB-CG 4.38Å; F104-Q230 HydrophobicContact CD1-CB 3.97Å; F104-Q230 HydrophobicContact CD1-CG 4.01Å; F104-Q230 HydrophobicContact CD2-CG 3.85Å; F104-Q230 HydrophobicContact CE1-CB 4Å; F104-Q230 HydrophobicContact CE1-CG 4.27Å; F104-Q230 HydrophobicContact CE2-CG 4.08Å; F104-Q230 HydrophobicContact CG-CB 4.3Å; F104-Q230 HydrophobicContact CG-CG 3.8Å; F104-Q230 HydrophobicContact CZ-CB 4.29Å; F104-Q230 HydrophobicContact CZ-CG 4.28Å; F104-L237 HydrophobicContact CE2-CD1 3.87Å; F104-L237 HydrophobicContact CZ-CD1 4.39Å
105P95.5Very high94.4Very high32 Ų3234.4 Ų34.421%0.20817%0.168CC..EExtended strand (participates in β ladder)trans-78.5154.8172.932.2-34.2000111.8K84 T141 Y142 Y143K84-P105 HydrophobicContact CD-CB 4.09Å; K84-P105 HydrophobicContact CD-CG 4.1Å; P105-T141 HydrophobicContact CB-CG2 3.81Å; P105-Y142 CarbonylContact C-O 3.56Å; P105-Y142 VanDerWaalsContact CA-O 3.27Å; P105-Y142 WeakPolarHBondContact CA-O 3.23Å; P105-Y143 HydrophobicContact CB-CD1 3.87Å; P105-Y143 HydrophobicContact CB-CE1 3.74Å
106W93.4Very high93Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-135.4166.9155.980.184.1000110T141 Y142 Q144 Y184 L237W106-T141 WeakPolarHBondContact O-CA 3.19Å; W106-Y142 VanDerWaalsContact CE2-CB 3.48Å; W106-Y142 VanDerWaalsContact CZ2-CB 3.49Å; W106-Y142 HydrophobicContact CZ2-CG 4.2Å; W106-Y142 PolarHBondContact N-O 3.4Å; W106-Y142 PolarHBondContact O-N 3.32Å; W106-Y142 VanDerWaalsContact O-O 3.12Å; W106-Q144 HydrophobicContact CE3-CB 4.45Å; W106-Q144 HydrophobicContact CZ3-CB 3.94Å; W106-Q144 VanDerWaalsContact CZ3-N 3.32Å; W106-Y184 AromaticContact CH2-CD1 3.01Å; W106-Y184 HydrophobicContact CH2-CD1 3.01Å; W106-Y184 AromaticContact CH2-CE1 3.66Å; W106-Y184 HydrophobicContact CH2-CE1 3.66Å; W106-Y184 AromaticContact CH2-CG 3.57Å; W106-Y184 HydrophobicContact CH2-CG 3.57Å; W106-Y184 HydrophobicContact CZ2-CD1 4.19Å; W106-Y184 AromaticContact CZ3-CD1 3.23Å; W106-Y184 HydrophobicContact CZ3-CD1 3.23Å; W106-Y184 AromaticContact CZ3-CE1 3.59Å; W106-Y184 HydrophobicContact CZ3-CE1 3.59Å; W106-Y184 HydrophobicContact CZ3-CG 4.23Å; W106-L237 HydrophobicContact CB-CB 4.48Å; W106-L237 HydrophobicContact CD2-CB 4.07Å; W106-L237 HydrophobicContact CD2-CD1 4.15Å; W106-L237 HydrophobicContact CD2-CD2 4.41Å; W106-L237 HydrophobicContact CD2-CG 4.44Å; W106-L237 HydrophobicContact CE3-CB 4.41Å; W106-L237 HydrophobicContact CE3-CD1 3.65Å; W106-L237 HydrophobicContact CE3-CD2 4.24Å; W106-L237 HydrophobicContact CE3-CG 4.32Å; W106-L237 HydrophobicContact CG-CB 4.08Å; W106-L237 HydrophobicContact CH2-CD2 4.23Å; W106-L237 HydrophobicContact CZ2-CD2 4.34Å; W106-L237 HydrophobicContact CZ3-CD1 4.07Å; W106-L237 HydrophobicContact CZ3-CD2 4.12Å
107H92.3Very high91.2Very high83 Ų8341.7 Ų41.738%0.38422%0.215SC..EExtended strand (participates in β ladder)trans-108.4127.2176.3-54.187.6000109.9K84 T139 H140K84-H107 WeakPolarHBondContact CE-NE2 3.35Å; K84-H107 PolarHBondContact NZ-CE1 3.34Å; K84-H107 PolarHBondContact NZ-NE2 3.11Å; H107-T139 HydrophobicContact CB-CG2 3.76Å; H107-H140 WeakPolarHBondContact CA-O 3.31Å
108A91.9Very high88.9Confident4 Ų444.7 Ų44.73%0.03323%0.226CC..EExtended strand (participates in β ladder)trans-115.2150.5172.300000109.7T139 H140 Y142 S240 V242A108-T139 WeakPolarHBondContact O-CA 3.21Å; A108-H140 PolarHBondContact N-O 3.34Å; A108-H140 PolarHBondContact O-N 3.36Å; A108-Y142 HydrophobicContact CB-CD2 3.9Å; A108-Y142 HydrophobicContact CB-CE2 4.21Å; A108-S240 WeakPolarHBondContact CB-O 2.9Å; A108-V242 HydrophobicContact CB-CG2 3.77Å
109R94.3Very high86.5Confident146 Ų14651.8 Ų51.855%0.55127%0.269SS*.EExtended strand (participates in β ladder)trans-81.5121167-50.4-176.5-157.7-172.66.5108Y111 D241 V242R109-Y111 HydrophobicContact CB-CE2 3.85Å; R109-D241 VanDerWaalsContact CB-OD1 3.29Å; R109-D241 WeakPolarHBondContact CB-OD1 3.39Å; R109-D241 WeakPolarHBondContact CG-OD1 3.41Å; R109-V242 PolarHBondContact O-N 2.78Å
110L94.7Very high84Confident4 Ų453.5 Ų53.52%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-92.9116.1173.6176.762.3000109.6D112 G137 K138 H140 V242 R244L110-D112 HydrophobicContact CD2-CB 4.37Å; L110-D112 HydrophobicContact CG-CB 4.16Å; L110-G137 WeakPolarHBondContact O-CA 3.5Å; L110-K138 PolarHBondContact N-O 2.86Å; L110-K138 PolarHBondContact O-N 2.93Å; L110-H140 HydrophobicContact CB-CB 4.31Å; L110-H140 WeakPolarHBondContact CB-ND1 3.31Å; L110-V242 CarbonylContact C-O 3.55Å; L110-V242 WeakPolarHBondContact CA-O 3.37Å; L110-V242 HydrophobicContact CD1-CB 3.86Å; L110-V242 HydrophobicContact CD1-CG1 3.61Å; L110-R244 HydrophobicContact CD1-CB 4.11Å
111Y95.3Very high81.5Confident50 Ų5061.9 Ų61.920%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-95.490.2168.6-58.3-91.1000108.7R109 V135 D241 V242 H243 R244R109-Y111 HydrophobicContact CB-CE2 3.85Å; Y111-V135 WeakPolarHBondContact CD1-O 3.27Å; Y111-D241 HydrophobicContact CD2-CB 4.28Å; Y111-D241 HydrophobicContact CE2-CB 3.8Å; Y111-D241 VanDerWaalsContact CE2-OD2 3.29Å; Y111-D241 WeakPolarHBondContact CE2-OD2 3.5Å; Y111-D241 PolarHBondContact OH-OD2 3.16Å; Y111-V242 PolarHBondContact N-O 3.35Å; Y111-H243 AromaticContact CD2-CE1 3.65Å; Y111-H243 AromaticContact CD2-ND1 3.97Å; Y111-R244 PolarHBondContact O-N 2.9Å
112D94.2Very high78.8Confident13 Ų1367 Ų677%0.0737%0.371CS..EExtended strand (participates in β ladder)trans-95111.8178.7-169.8-4.1000111.1L110 D114 I115 V135 R244L110-D112 HydrophobicContact CD2-CB 4.37Å; L110-D112 HydrophobicContact CG-CB 4.16Å; D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 3.23Å; D112-D114 VanDerWaalsContact OD1-CB 3.31Å; D112-D114 WeakPolarHBondContact OD1-CB 3.49Å; D112-D114 PolarHBondContact OD1-N 2.91Å; D112-I115 HydrophobicContact CB-CD1 3.93Å; D112-I115 HydrophobicContact CB-CG1 4.11Å; D112-V135 WeakPolarHBondContact O-CG1 3.46Å; D112-R244 IonicContact OD1-NE 3.53Å; D112-R244 IonicContact OD2-CZ 3.2Å; D112-R244 VanDerWaalsContact OD2-CZ 3.28Å; D112-R244 IonicContact OD2-NE 3.26Å; D112-R244 PolarHBondContact OD2-NE 2.99Å; D112-R244 VanDerWaalsContact OD2-NE 3.13Å; D112-R244 IonicContact OD2-NH2 3.2Å; D112-R244 PolarHBondContact OD2-NH2 3.5Å
113R94.1Very high76.1Confident102 Ų10276.1 Ų76.139%0.38541%0.41SS..THydrogen-bonded Turntrans-77.6-10.9179.3-75.1168.3177.4-116-7.3113.4I115 V135 R244 E245R113-I115 VanDerWaalsContact C-N 3.31Å; R113-V135 HydrophobicContact CG-CG2 3.61Å; R113-R244 WeakPolarHBondContact CB-O 3.38Å; R113-R244 PolarHBondContact N-O 2.88Å; R113-E245 HydrophobicContact CB-CB 4Å; R113-E245 HydrophobicContact CB-CG 3.97Å; R113-E245 WeakPolarHBondContact CD-OE2 3.37Å; R113-E245 IonicContact NE-OE2 3.57Å; R113-E245 IonicContact NH1-OE2 2.65Å
114D90Very high73.4Confident63 Ų6382.2 Ų82.234%0.33745%0.45SS..THydrogen-bonded Turntrans-79.3-20.6178.3-57.6-26.4000111.5D112 T116 T246D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 3.23Å; D112-D114 VanDerWaalsContact OD1-CB 3.31Å; D112-D114 WeakPolarHBondContact OD1-CB 3.49Å; D112-D114 PolarHBondContact OD1-N 2.91Å; D114-T116 PolarHBondContact O-N 2.83Å; D114-T246 VanDerWaalsContact OD1-CB 3.32Å; D114-T246 WeakPolarHBondContact OD1-CB 3.49Å; D114-T246 PolarHBondContact OD1-N 2.92Å; D114-T246 PolarHBondContact OD1-OG1 3.14Å; D114-T246 WeakPolarHBondContact OD2-CB 3.27Å; D114-T246 PolarHBondContact OD2-N 2.91Å; D114-T246 PolarHBondContact OD2-OG1 2.64Å
115I82.8Confident71.1Confident82 Ų8289.1 Ų89.142%0.42148%0.482SS..SBendtrans-84.4108.9178.4-56.1176.4000108.6D112 R113D112-I115 HydrophobicContact CB-CD1 3.93Å; D112-I115 HydrophobicContact CB-CG1 4.11Å; R113-I115 VanDerWaalsContact C-N 3.31Å
116T64Low68.3Low107 Ų10792.4 Ų92.466%0.65650%0.503SS*.PPolyproline II helixtrans-69128.6168.2-51.70000108.3D114D114-T116 PolarHBondContact O-N 2.83Å
117P56.2Low65.6Low83 Ų8399.2 Ų99.254%0.53955%0.547SS..PPolyproline II helixtrans-58.8144.217322.8-30.7000109.5V119P117-V119 PolarHBondContact O-N 2.91Å
118P46.4Very low63.2Low111 Ų11199 Ų9972%0.72157%0.567SS**PPolyproline II helixtrans-55.6130.8172.423.2-31.1000108.4S120P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 2.93Å; P118-S120 PolarHBondContact O-OG 3.19Å
119V45.5Very low60.5Low149 Ų149101.8 Ų101.890%0.90359%0.591SS**  trans-55.799.7179.1-174.60000107.6P117P117-V119 PolarHBondContact O-N 2.91Å
120S46.6Very low57.9Low94 Ų94104.2 Ų104.266%0.65761%0.608SS**  trans-115128.8166.7430000105.5P118 S122P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 2.93Å; P118-S120 PolarHBondContact O-OG 3.19Å; S120-S122 PolarHBondContact O-N 2.85Å
121D43.3Very low55Low175 Ų175106.6 Ų106.694%0.93663%0.634SS**  trans-35.593.3-169.8-69.8-47.8000114.7
122S42Very low52.8Low109 Ų109109.4 Ų109.476%0.76266%0.661SS**  trans-104.4116.1165.363.60000108.7S120S120-S122 PolarHBondContact O-N 2.85Å
123K43.4Very low51Low190 Ų190116.7 Ų116.783%0.82669%0.692SS**  trans-44.7150.1170.1-81.8178.8174.2177.30111.7E125K123-E125 PolarHBondContact O-N 3.07Å
124P40.4Very low49.7Very low129 Ų129120.5 Ų120.584%0.83871%0.714SS**PPolyproline II helixtrans-59.5126.1178.123.8-31.8000110.9
125E46.5Very low49.2Very low145 Ų145119.2 Ų119.268%0.67871%0.708SS**PPolyproline II helixtrans-69.4144.9172.4-75.7-168.8154.100110.9K123K123-E125 PolarHBondContact O-N 3.07Å
126P38Very low49.4Very low101 Ų101124.2 Ų124.266%0.65673%0.727SS**PPolyproline II helixtrans-68.8148.7175.727.3-31.9000111.8G128P126-G128 PolarHBondContact O-N 2.91Å
127P36.3Very low50.5Low143 Ų143120.7 Ų120.793%0.92971%0.712SS**THydrogen-bonded Turntrans-69.3107.3-178.127.1-31.7000110.3
128G41.1Very low52.2Low78 Ų78122.3 Ų122.380%0.80471%0.711SS**THydrogen-bonded Turntrans150.1-9176.600000116.3P126P126-G128 PolarHBondContact O-N 2.91Å
129A34.7Very low54.4Low63 Ų63121.9 Ų121.952%0.52171%0.706SS.*  trans-84.9119.3174.100000110.6G131A129-G131 VanDerWaalsContact C-N 3.28Å; A129-G131 PolarHBondContact O-N 2.83Å
130H39.7Very low56.7Low197 Ų197117.6 Ų117.691%0.91268%0.676SS**  trans-64.694.2162.2-79.7-64.5000107.9S132H130-S132 PolarHBondContact O-N 3.26Å
131G34.6Very low59Low55 Ų55114.3 Ų114.357%0.56765%0.652SS**  trans-63.690.4-173.400000113A129 K133A129-G131 VanDerWaalsContact C-N 3.28Å; A129-G131 PolarHBondContact O-N 2.83Å; G131-K133 VanDerWaalsContact C-N 3.27Å; G131-K133 PolarHBondContact O-N 2.98Å
132S48.9Very low61.5Low109 Ų109106.6 Ų106.676%0.76261%0.61SS**  trans-71.489.7155.758.10000107.3H130 E134H130-S132 PolarHBondContact O-N 3.26Å; S132-E134 PolarHBondContact O-N 2.85Å
133K57.3Low64Low165 Ų165101.4 Ų101.472%0.71757%0.573SS**  trans-54.7115.5168.8-73.1-173.8178.8-178.70107.8G131 V135G131-K133 VanDerWaalsContact C-N 3.27Å; G131-K133 PolarHBondContact O-N 2.98Å; K133-V135 PolarHBondContact O-N 3.46Å
134E66Low66.5Low183 Ų18392.3 Ų92.386%0.85553%0.534SS*.  trans-65.7114.9177.3-168.2180-178.300108.6S132S132-E134 PolarHBondContact O-N 2.85Å
135V80.3Confident69.2Low35 Ų3586.2 Ų86.221%0.21249%0.494CS..PPolyproline II helixtrans-87.4120.4179.6-178.80000108.2Y111 D112 R113 K133 G137Y111-V135 WeakPolarHBondContact CD1-O 3.27Å; D112-V135 WeakPolarHBondContact O-CG1 3.46Å; R113-V135 HydrophobicContact CG-CG2 3.61Å; K133-V135 PolarHBondContact O-N 3.46Å; V135-G137 PolarHBondContact O-N 2.94Å
136K86.1Confident71.5Confident188 Ų18879.3 Ų79.382%0.81746%0.462SS*.PPolyproline II helixtrans-75.4116.7174.5-68.7-173.6178.6-179.40109.8
137G87.5Confident74.3Confident33 Ų3374.5 Ų74.534%0.3443%0.431SS..PPolyproline II helixtrans-64.4133.8174.800000111.8L110 V135L110-G137 WeakPolarHBondContact O-CA 3.5Å; V135-G137 PolarHBondContact O-N 2.94Å
138K91.3Very high77.2Confident117 Ų11767.7 Ų67.751%0.50939%0.387SS..EExtended strand (participates in β ladder)trans-111.5133.2173.1-70.5-179.5-178.4176.20110.1L110 H140L110-K138 PolarHBondContact N-O 2.86Å; L110-K138 PolarHBondContact O-N 2.93Å; K138-H140 PolarHBondContact O-N 2.91Å; K138-H140 PolarHBondContact O-ND1 2.65Å
139T92.9Very high79.7Confident102 Ų10266.7 Ų66.763%0.62637%0.365SS*.EExtended strand (participates in β ladder)trans-63.4122.2176.1-54.20000110.8H107 A108H107-T139 HydrophobicContact CB-CG2 3.76Å; A108-T139 WeakPolarHBondContact O-CA 3.21Å
140H93.1Very high82.6Confident58 Ų5868.7 Ų68.727%0.26936%0.359SS..EExtended strand (participates in β ladder)trans-122.9148.5174.4-76.868.3000110H107 A108 L110 K138 Y142H107-H140 WeakPolarHBondContact CA-O 3.31Å; A108-H140 PolarHBondContact N-O 3.34Å; A108-H140 PolarHBondContact O-N 3.36Å; L110-H140 HydrophobicContact CB-CB 4.31Å; L110-H140 WeakPolarHBondContact CB-ND1 3.31Å; K138-H140 PolarHBondContact O-N 2.91Å; K138-H140 PolarHBondContact O-ND1 2.65Å; H140-Y142 HydrophobicContact CB-CD2 4.39Å; H140-Y142 HydrophobicContact CB-CE2 3.89Å
141T95Very high85.1Confident25 Ų2560.2 Ų60.215%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-88.6126.9175.2-54.40000110.4K84 P105 W106 Y143 H187K84-T141 HydrophobicContact CD-CG2 4.17Å; K84-T141 HydrophobicContact CG-CG2 4.06Å; P105-T141 HydrophobicContact CB-CG2 3.81Å; W106-T141 WeakPolarHBondContact O-CA 3.19Å; T141-Y143 HydrophobicContact CG2-CE1 4.03Å; T141-Y143 HydrophobicContact CG2-CE2 3.85Å; T141-H187 PolarHBondContact O-N 3.13Å
142Y95.5Very high87.8Confident13 Ų1358.5 Ų58.55%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-116.5166.6169.9-76.3-99.8000109.3P105 W106 A108 H140 V185 V242 I255P105-Y142 CarbonylContact C-O 3.56Å; P105-Y142 VanDerWaalsContact CA-O 3.27Å; P105-Y142 WeakPolarHBondContact CA-O 3.23Å; W106-Y142 VanDerWaalsContact CE2-CB 3.48Å; W106-Y142 VanDerWaalsContact CZ2-CB 3.49Å; W106-Y142 HydrophobicContact CZ2-CG 4.2Å; W106-Y142 PolarHBondContact N-O 3.4Å; W106-Y142 PolarHBondContact O-N 3.32Å; W106-Y142 VanDerWaalsContact O-O 3.12Å; A108-Y142 HydrophobicContact CB-CD2 3.9Å; A108-Y142 HydrophobicContact CB-CE2 4.21Å; H140-Y142 HydrophobicContact CB-CD2 4.39Å; H140-Y142 HydrophobicContact CB-CE2 3.89Å; Y142-V185 CarbonylContact C-O 3.6Å; Y142-V185 WeakPolarHBondContact CA-O 3.27Å; Y142-V242 HydrophobicContact CD2-CG2 4.38Å; Y142-V242 HydrophobicContact CE1-CG2 4.27Å; Y142-V242 HydrophobicContact CE2-CB 4.46Å; Y142-V242 HydrophobicContact CE2-CG2 3.78Å; Y142-V242 WeakPolarHBondContact OH-CG1 3.35Å; Y142-I255 HydrophobicContact CD1-CD1 4.35Å; Y142-I255 HydrophobicContact CE1-CD1 4.08Å
143Y96.1Very high89.7Confident0 Ų057.5 Ų57.50%029%0.291CS..EExtended strand (participates in β ladder)trans-135.4138.2-175.8-57.3-91.7000110.3K84 Y85 V102 F104 P105 T141 Y184 V185 H187 I190K84-Y143 WeakPolarHBondContact CA-OH 3.39Å; Y85-Y143 HydrophobicContact CD2-CE1 4.39Å; Y85-Y143 HydrophobicContact CD2-CE2 4.09Å; Y85-Y143 AromaticContact CD2-CZ 3.75Å; Y85-Y143 WeakPolarHBondContact CD2-OH 3.48Å; Y85-Y143 PolarHBondContact N-OH 3.46Å; V102-Y143 HydrophobicContact CG1-CD1 3.62Å; V102-Y143 HydrophobicContact CG1-CE1 4.35Å; V102-Y143 HydrophobicContact CG1-CG 4.34Å; V102-Y143 HydrophobicContact CG2-CD1 4.46Å; F104-Y143 WeakPolarHBondContact O-CA 3.29Å; P105-Y143 HydrophobicContact CB-CD1 3.87Å; P105-Y143 HydrophobicContact CB-CE1 3.74Å; T141-Y143 HydrophobicContact CG2-CE1 4.03Å; T141-Y143 HydrophobicContact CG2-CE2 3.85Å; Y143-Y184 WeakPolarHBondContact O-CA 3.42Å; Y143-V185 HydrophobicContact CD2-CG2 4.5Å; Y143-V185 PolarHBondContact N-O 3.14Å; Y143-V185 PolarHBondContact O-N 2.97Å; Y143-H187 HydrophobicContact CE2-CB 4.02Å; Y143-H187 AromaticContact CE2-ND1 3.83Å; Y143-H187 AromaticContact CZ-ND1 3.8Å; Y143-H187 PolarHBondContact OH-CE1 2.94Å; Y143-H187 VanDerWaalsContact OH-CE1 3.3Å; Y143-H187 PolarHBondContact OH-ND1 2.66Å; Y143-I190 HydrophobicContact CD1-CD1 4.5Å; Y143-I190 HydrophobicContact CD2-CD1 3.46Å; Y143-I190 VanDerWaalsContact CD2-CD1 3.46Å; Y143-I190 HydrophobicContact CE2-CD1 3.74Å; Y143-I190 HydrophobicContact CG-CD1 3.88Å
144Q95.1Very high91.2Very high0 Ų056.7 Ų56.70%029%0.289CS..EExtended strand (participates in β ladder)trans-83.8134.9160.9-165.1176.871.200107.9L103 F104 W106 L182 Y184L103-Q144 VanDerWaalsContact CB-O 3.32Å; L103-Q144 WeakPolarHBondContact CB-O 3.47Å; L103-Q144 HydrophobicContact CD1-CG 4.33Å; L103-Q144 PolarHBondContact N-O 2.84Å; F104-Q144 HydrophobicContact CE1-CB 4.25Å; F104-Q144 HydrophobicContact CE2-CB 4.11Å; F104-Q144 HydrophobicContact CZ-CB 3.94Å; F104-Q144 HydrophobicContact CZ-CG 4.43Å; F104-Q144 PolarHBondContact O-N 3.49Å; W106-Q144 HydrophobicContact CE3-CB 4.45Å; W106-Q144 HydrophobicContact CZ3-CB 3.94Å; W106-Q144 VanDerWaalsContact CZ3-N 3.32Å; Q144-L182 HydrophobicContact CG-CD1 3.91Å; Q144-L182 HydrophobicContact CG-CD2 4.47Å; Q144-L182 HydrophobicContact CG-CG 4.12Å; Q144-Y184 HydrophobicContact CB-CD1 4.25Å; Q144-Y184 HydrophobicContact CB-CE1 4.15Å; Q144-Y184 HydrophobicContact CG-CD1 4.06Å; Q144-Y184 HydrophobicContact CG-CE1 3.73Å; Q144-Y184 PolarHBondContact NE2-OH 2.81Å
145V96.5Very high92.2Very high0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-137.1158.2-172.2-57.50000111.3F91 I101 V102 D183 V185F91-V145 HydrophobicContact CE1-CB 3.88Å; F91-V145 HydrophobicContact CE1-CG1 3.68Å; F91-V145 HydrophobicContact CE1-CG2 4.45Å; F91-V145 HydrophobicContact CZ-CB 3.9Å; F91-V145 HydrophobicContact CZ-CG1 3.79Å; F91-V145 HydrophobicContact CZ-CG2 3.97Å; I101-V145 VanDerWaalsContact O-CA 3.28Å; I101-V145 WeakPolarHBondContact O-CA 3.47Å; I101-V145 WeakPolarHBondContact O-CB 3.35Å; V102-V145 HydrophobicContact CG2-CG1 4.39Å; V145-D183 HydrophobicContact CG2-CB 3.85Å; V145-D183 WeakPolarHBondContact CG2-O 3.19Å; V145-D183 PolarHBondContact N-O 2.84Å; V145-D183 PolarHBondContact O-N 3.34Å; V145-V185 HydrophobicContact CG1-CG1 4.47Å; V145-V185 HydrophobicContact CG1-CG2 3.5Å; V145-V185 HydrophobicContact CG2-CG1 3.79Å; V145-V185 HydrophobicContact CG2-CG2 4.35Å
146L96.6Very high92.2Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-101.6136.5163.2-61.4174.4000109.7G100 I101 L103 G181 L182 L205 F209G100-L146 CarbonylContact C-O 3.55Å; G100-L146 WeakPolarHBondContact CA-O 3.46Å; I101-L146 HydrophobicContact CG2-CB 3.89Å; I101-L146 HydrophobicContact CG2-CD1 4.39Å; I101-L146 PolarHBondContact N-O 2.94Å; I101-L146 PolarHBondContact O-N 3.26Å; L103-L146 HydrophobicContact CD1-CD2 4.13Å; L103-L146 HydrophobicContact CD1-CG 3.99Å; L103-L146 HydrophobicContact CD2-CD1 3.94Å; L103-L146 HydrophobicContact CD2-CG 3.93Å; L103-L146 HydrophobicContact CG-CG 4.12Å; L146-G181 CarbonylContact C-O 3.52Å; L146-G181 WeakPolarHBondContact CA-O 3.49Å; L146-L182 HydrophobicContact CD2-CD1 3.66Å; L146-L205 HydrophobicContact CD1-CB 4.08Å; L146-L205 HydrophobicContact CD2-CB 4.14Å; L146-L205 HydrophobicContact CD2-CD1 4.18Å; L146-F209 HydrophobicContact CD1-CD2 4.33Å
147I95.9Very high92Very high1 Ų146.3 Ų46.31%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-90.8136.9172.3-56.6-177.5000108.9Y98 T149 I155 G181 D183 H203Y98-I147 HydrophobicContact CD1-CD1 4.38Å; Y98-I147 HydrophobicContact CD2-CB 4.4Å; Y98-I147 HydrophobicContact CD2-CG1 4.09Å; Y98-I147 HydrophobicContact CD2-CG2 3.91Å; Y98-I147 HydrophobicContact CE1-CD1 3.95Å; Y98-I147 HydrophobicContact CE1-CG1 4.36Å; Y98-I147 HydrophobicContact CE2-CB 4.47Å; Y98-I147 HydrophobicContact CE2-CD1 4.22Å; Y98-I147 HydrophobicContact CE2-CG1 3.72Å; Y98-I147 HydrophobicContact CE2-CG2 4.41Å; Y98-I147 HydrophobicContact CG-CG2 3.98Å; I147-T149 PolarHBondContact O-N 2.99Å; I147-I155 HydrophobicContact CD1-CD1 4.4Å; I147-I155 HydrophobicContact CG2-CD1 4.25Å; I147-G181 PolarHBondContact N-O 2.86Å; I147-D183 HydrophobicContact CD1-CB 3.73Å; I147-D183 HydrophobicContact CG1-CB 3.97Å; I147-H203 PolarHBondContact O-CD2 2.94Å; I147-H203 VanDerWaalsContact O-CD2 3.29Å
148D96.2Very high91.9Very high0 Ų047.3 Ų47.30%024%0.239CC..PPolyproline II helixtrans-64.3117.3168.3-171-32.6000110.9R99 R150 D151 I201R99-D148 HydrophobicContact CB-CB 3.75Å; R99-D148 IonicContact CZ-OD2 3.54Å; R99-D148 IonicContact NE-OD2 3.9Å; R99-D148 PolarHBondContact NE-OD2 2.84Å; R99-D148 IonicContact NH2-OD1 3.79Å; R99-D148 IonicContact NH2-OD2 2.61Å; R99-D148 PolarHBondContact NH2-OD2 2.97Å; R99-D148 WeakPolarHBondContact O-CB 3.31Å; R99-D148 PolarHBondContact O-N 2.95Å; D148-R150 PolarHBondContact O-N 2.92Å; D148-R150 VanDerWaalsContact OD1-CB 3.25Å; D148-R150 WeakPolarHBondContact OD1-CB 3.36Å; D148-R150 VanDerWaalsContact OD1-CG 3.31Å; D148-R150 WeakPolarHBondContact OD1-CG 3.45Å; D148-R150 IonicContact OD1-CZ 2.99Å; D148-R150 PolarHBondContact OD1-N 2.75Å; D148-R150 IonicContact OD1-NE 3.06Å; D148-R150 PolarHBondContact OD1-NE 2.89Å; D148-R150 IonicContact OD1-NH2 3.07Å; D148-R150 IonicContact OD2-CZ 3.86Å; D148-R150 VanDerWaalsContact OD2-CZ 3.24Å; D148-R150 IonicContact OD2-NE 3.5Å; D148-R150 PolarHBondContact OD2-NE 3.07Å; D148-R150 IonicContact OD2-NH2 2.84Å; D148-R150 PolarHBondContact OD2-NH2 3.06Å; D148-D151 PolarHBondContact O-N 2.85Å; D148-I201 HydrophobicContact CB-CD1 4.14Å; D148-I201 HydrophobicContact CB-CG2 4.19Å
149T94.7Very high91.5Very high57 Ų5741.8 Ų41.835%0.3522%0.215SC..THydrogen-bonded Turntrans-61.6-21.1-175.455.50000113.6I147 D151 C152 Q202I147-T149 PolarHBondContact O-N 2.99Å; T149-D151 PolarHBondContact O-N 3.22Å; T149-C152 WeakPolarHBondContact O-CB 3.35Å; T149-C152 PolarHBondContact O-N 3.23Å; T149-Q202 WeakPolarHBondContact CB-O 3.29Å; T149-Q202 WeakPolarHBondContact CG2-O 3.35Å; T149-Q202 PolarHBondContact N-O 3Å; T149-Q202 PolarHBondContact OG1-O 2.81Å
150R94.3Very high90.8Very high104 Ų10439.3 Ų39.339%0.39220%0.197SC..THydrogen-bonded Turntrans-65.8-26.6174.4-59.4173.8-73.3-174-1.9112.3D148 P200 Q202D148-R150 PolarHBondContact O-N 2.92Å; D148-R150 VanDerWaalsContact OD1-CB 3.25Å; D148-R150 WeakPolarHBondContact OD1-CB 3.36Å; D148-R150 VanDerWaalsContact OD1-CG 3.31Å; D148-R150 WeakPolarHBondContact OD1-CG 3.45Å; D148-R150 IonicContact OD1-CZ 2.99Å; D148-R150 PolarHBondContact OD1-N 2.75Å; D148-R150 IonicContact OD1-NE 3.06Å; D148-R150 PolarHBondContact OD1-NE 2.89Å; D148-R150 IonicContact OD1-NH2 3.07Å; D148-R150 IonicContact OD2-CZ 3.86Å; D148-R150 VanDerWaalsContact OD2-CZ 3.24Å; D148-R150 IonicContact OD2-NE 3.5Å; D148-R150 PolarHBondContact OD2-NE 3.07Å; D148-R150 IonicContact OD2-NH2 2.84Å; D148-R150 PolarHBondContact OD2-NH2 3.06Å; R150-P200 PolarHBondContact NH2-O 3.31Å; R150-Q202 HydrophobicContact CG-CB 4.15Å
151D93.9Very high89.6Confident19 Ų1937.9 Ų37.910%0.10219%0.192CC..THydrogen-bonded Turntrans-89.8-18.5-179.1-63.6-25.3000112.7R99 D148 T149 H154 I155R99-D151 WeakPolarHBondContact CB-OD2 3.31Å; R99-D151 WeakPolarHBondContact CG-OD2 3.41Å; R99-D151 IonicContact CZ-OD1 3.76Å; R99-D151 IonicContact CZ-OD2 3.78Å; R99-D151 PolarHBondContact N-OD2 3.25Å; R99-D151 IonicContact NE-OD2 3.15Å; R99-D151 IonicContact NH1-OD1 3.3Å; R99-D151 PolarHBondContact NH1-OD1 2.87Å; R99-D151 VanDerWaalsContact NH1-OD1 3.14Å; R99-D151 IonicContact NH1-OD2 2.7Å; R99-D151 PolarHBondContact NH1-OD2 3.14Å; R99-D151 IonicContact NH2-OD1 3.9Å; R99-D151 PolarHBondContact NH2-OD1 2.82Å; R99-D151 IonicContact NH2-OD2 2.78Å; R99-D151 PolarHBondContact NH2-OD2 3.08Å; D148-D151 PolarHBondContact O-N 2.85Å; T149-D151 PolarHBondContact O-N 3.22Å; D151-H154 WeakPolarHBondContact O-CB 3.24Å; D151-H154 PolarHBondContact O-N 2.73Å; D151-I155 PolarHBondContact O-N 3.2Å
152C90.1Very high88Confident20 Ų2042.8 Ų42.814%0.13521%0.213CC..Hα-helixtrans-51.4-46.6-178.8-710000113.8T149 H154 I155 S156 T161T149-C152 WeakPolarHBondContact O-CB 3.35Å; T149-C152 PolarHBondContact O-N 3.23Å; C152-H154 PolarHBondContact O-N 3.26Å; C152-I155 WeakPolarHBondContact O-CG1 3.45Å; C152-I155 PolarHBondContact O-N 2.84Å; C152-S156 VanDerWaalsContact O-CB 3.29Å; C152-S156 WeakPolarHBondContact O-CB 3.38Å; C152-S156 PolarHBondContact O-N 2.99Å; C152-T161 HydrophobicContact CB-CG2 4.2Å
153P88.9Confident86.3Confident88 Ų8842.2 Ų42.257%0.57121%0.211SC*.Hα-helixtrans-58.3-33.4177-25.535.8000113.4S156P153-S156 PolarHBondContact O-OG 3Å
154H88.1Confident84.7Confident148 Ų14842.2 Ų42.269%0.68521%0.211SC*.Hα-helixtrans-80.6-23.3-176.8-58.9-61.2000113.5D151 C152D151-H154 WeakPolarHBondContact O-CB 3.24Å; D151-H154 PolarHBondContact O-N 2.73Å; C152-H154 PolarHBondContact O-N 3.26Å
155I88.5Confident83.1Confident4 Ų442.9 Ų42.92%0.02122%0.215CC..Hα-helixtrans-102.8-13.7176.965.4174.4000113.1F96 Y98 I147 D151 C152 Q157 R158 S159 T161F96-I155 HydrophobicContact CB-CG2 4.41Å; F96-I155 WeakPolarHBondContact O-CG2 3.29Å; Y98-I155 HydrophobicContact CD1-CD1 3.54Å; Y98-I155 HydrophobicContact CE1-CD1 4.31Å; Y98-I155 HydrophobicContact CG-CD1 4.06Å; I147-I155 HydrophobicContact CD1-CD1 4.4Å; I147-I155 HydrophobicContact CG2-CD1 4.25Å; D151-I155 PolarHBondContact O-N 3.2Å; C152-I155 WeakPolarHBondContact O-CG1 3.45Å; C152-I155 PolarHBondContact O-N 2.84Å; I155-Q157 PolarHBondContact O-N 3.07Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 WeakPolarHBondContact O-CA 3.48Å; I155-R158 PolarHBondContact O-N 2.88Å; I155-S159 PolarHBondContact O-N 2.81Å; I155-T161 HydrophobicContact CD1-CG2 3.52Å; I155-T161 HydrophobicContact CG1-CG2 3.62Å
156S80.5Confident81.6Confident41 Ų4144 Ų4429%0.28722%0.22SC..THydrogen-bonded Turntrans-54.6-25.4-17364.60000115.4C152 P153 S159 R313C152-S156 VanDerWaalsContact O-CB 3.29Å; C152-S156 WeakPolarHBondContact O-CB 3.38Å; C152-S156 PolarHBondContact O-N 2.99Å; P153-S156 PolarHBondContact O-OG 3Å; S156-S159 WeakPolarHBondContact CA-O 3.37Å; S156-R313 VanDerWaalsContact O-CZ 3.31Å; S156-R313 PolarHBondContact O-NH1 2.86Å; S156-R313 PolarHBondContact O-NH2 3.47Å
157Q81.4Confident80.2Confident142 Ų14244.1 Ų44.166%0.66422%0.221SC*.THydrogen-bonded Turntrans-76.2-30.3175.7-65.4-177.85.200112.3I155 R313 F324I155-Q157 PolarHBondContact O-N 3.07Å; Q157-R313 PolarHBondContact O-NH1 3.3Å; Q157-R313 VanDerWaalsContact O-NH1 3.11Å; Q157-F324 WeakPolarHBondContact O-CE2 3.4Å
158R85.2Confident78.6Confident55 Ų5544.8 Ų44.821%0.20823%0.226CC..THydrogen-bonded Turntrans-105.2-24-174.2-59-171-61.6-172.35.9113.6F96 I155 E320 F324 Q325F96-R158 HydrophobicContact CD1-CB 4.26Å; F96-R158 HydrophobicContact CE1-CB 4.24Å; F96-R158 PolarHBondContact O-NH2 3.45Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 WeakPolarHBondContact O-CA 3.48Å; I155-R158 PolarHBondContact O-N 2.88Å; R158-E320 PolarHBondContact NH1-O 3Å; R158-F324 CarbonylContact O-C 3.56Å; R158-F324 WeakPolarHBondContact O-CA 2.99Å; R158-F324 WeakPolarHBondContact O-CD2 3.41Å; R158-Q325 PolarHBondContact O-N 2.88Å
159S83.1Confident76.7Confident1 Ų148.7 Ų48.71%0.00725%0.247CC..BIsolated β-bridgetrans-136.6134.7178.3-173.10000110.5I155 S156 T161 Q325I155-S159 PolarHBondContact O-N 2.81Å; S156-S159 WeakPolarHBondContact CA-O 3.37Å; S159-T161 PolarHBondContact O-N 2.8Å; S159-Q325 WeakPolarHBondContact CA-O 3.45Å
160Q78.8Confident74.6Confident50 Ų5053 Ų5323%0.23426%0.263CS..  trans-76106.2166.3-73.1-174.1-36.100109.5E162 V311 Q325 S327Q160-E162 PolarHBondContact O-N 3.33Å; Q160-V311 VanDerWaalsContact NE2-CG2 3.32Å; Q160-Q325 PolarHBondContact N-O 2.79Å; Q160-Q325 VanDerWaalsContact N-O 3.09Å; Q160-S327 PolarHBondContact OE1-O 3.4Å
161T66.4Low72.5Confident28 Ų2856.2 Ų56.217%0.17229%0.288CS..SBendtrans-77.9-3.4-174.953.10000114.6C152 I155 S159 A163 G181C152-T161 HydrophobicContact CB-CG2 4.2Å; I155-T161 HydrophobicContact CD1-CG2 3.52Å; I155-T161 HydrophobicContact CG1-CG2 3.62Å; S159-T161 PolarHBondContact O-N 2.8Å; T161-A163 PolarHBondContact O-N 3.19Å; T161-G181 PolarHBondContact O-N 3.38Å
162E62.8Low70.3Confident127 Ų12763.3 Ų63.359%0.59333%0.326SS*.  trans-95.664.8171.9-63.8178.9177.200108.9Q160 A178Q160-E162 PolarHBondContact O-N 3.33Å; E162-A178 HydrophobicContact CB-CB 4.31Å
163A59.4Low68.5Low1 Ų164.5 Ų64.51%0.00834%0.335CS..  trans-91-20.2-159.500000114.9T161 L182 R273T161-A163 PolarHBondContact O-N 3.19Å; A163-L182 WeakPolarHBondContact CB-O 3.36Å; A163-R273 VanDerWaalsContact O-CD 3.29Å; A163-R273 WeakPolarHBondContact O-CD 3.46Å; A163-R273 PolarHBondContact O-NE 3.21Å; A163-R273 VanDerWaalsContact O-NE 3.14Å; A163-R273 PolarHBondContact O-NH1 2.82Å
164V61.1Low66.8Low1 Ų171.2 Ų71.21%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-111.297.9-177.4-166.80000111.4F166 A178 I179 L182 Y184V164-F166 HydrophobicContact CB-CE2 4.21Å; V164-F166 HydrophobicContact CG1-CD2 4.29Å; V164-F166 HydrophobicContact CG1-CE1 4.21Å; V164-F166 HydrophobicContact CG1-CE2 3.44Å; V164-F166 VanDerWaalsContact CG1-CE2 3.44Å; V164-F166 HydrophobicContact CG1-CZ 3.39Å; V164-A178 CarbonylContact O-C 3.54Å; V164-A178 VanDerWaalsContact O-CA 3.27Å; V164-A178 WeakPolarHBondContact O-CA 3.5Å; V164-I179 PolarHBondContact O-N 2.89Å; V164-L182 HydrophobicContact CB-CB 4.29Å; V164-L182 HydrophobicContact CB-CD2 3.79Å; V164-L182 HydrophobicContact CB-CG 4.36Å; V164-L182 HydrophobicContact CG1-CD2 4.02Å; V164-L182 HydrophobicContact CG2-CB 3.78Å; V164-L182 HydrophobicContact CG2-CD2 3.58Å; V164-L182 HydrophobicContact CG2-CG 3.7Å; V164-Y184 HydrophobicContact CB-CE2 4.45Å; V164-Y184 HydrophobicContact CG1-CE2 4.27Å; V164-Y184 WeakPolarHBondContact CG1-OH 3.3Å; V164-Y184 HydrophobicContact CG2-CD2 4.24Å; V164-Y184 HydrophobicContact CG2-CE2 3.47Å; V164-Y184 VanDerWaalsContact CG2-CE2 3.47Å
165T61.5Low65.5Low14 Ų1466.6 Ų66.69%0.08634%0.336CS..EExtended strand (participates in β ladder)trans-91.7141.8171.360.50000112.1Y177 A178 M259 R273 H329T165-Y177 CarbonylContact C-O 3.57Å; T165-Y177 WeakPolarHBondContact CA-O 3.41Å; T165-A178 HydrophobicContact CG2-CB 4.05Å; T165-M259 VanDerWaalsContact OG1-CE 3.25Å; T165-M259 WeakPolarHBondContact OG1-CE 3.46Å; T165-R273 WeakPolarHBondContact OG1-CD 3.28Å; T165-R273 PolarHBondContact OG1-NE 2.83Å; T165-H329 WeakPolarHBondContact CG2-NE2 3.32Å; T165-H329 PolarHBondContact OG1-CD2 3.01Å; T165-H329 PolarHBondContact OG1-NE2 2.97Å
166F66.6Low64.5Low22 Ų2269.3 Ų69.310%0.09635%0.35CS..EExtended strand (participates in β ladder)trans-121.4152.9174.4-60.9-86.5000109.8V164 L176 Y177 I179 W229 N233V164-F166 HydrophobicContact CB-CE2 4.21Å; V164-F166 HydrophobicContact CG1-CD2 4.29Å; V164-F166 HydrophobicContact CG1-CE1 4.21Å; V164-F166 HydrophobicContact CG1-CE2 3.44Å; V164-F166 VanDerWaalsContact CG1-CE2 3.44Å; V164-F166 HydrophobicContact CG1-CZ 3.39Å; F166-L176 WeakPolarHBondContact O-CA 3.44Å; F166-Y177 HydrophobicContact CD2-CD1 4.4Å; F166-Y177 PolarHBondContact N-O 2.86Å; F166-Y177 PolarHBondContact O-N 2.79Å; F166-I179 HydrophobicContact CD2-CD1 4.5Å; F166-I179 HydrophobicContact CE2-CD1 3.69Å; F166-I179 HydrophobicContact CE2-CG1 4.01Å; F166-I179 HydrophobicContact CZ-CD1 4.43Å; F166-W229 HydrophobicContact CE1-CH2 4.45Å; F166-W229 AromaticContact CE2-CH2 3.92Å; F166-W229 HydrophobicContact CE2-CH2 3.92Å; F166-W229 AromaticContact CZ-CH2 3.54Å; F166-W229 HydrophobicContact CZ-CH2 3.54Å; F166-W229 AromaticContact CZ-CZ2 3.89Å; F166-W229 HydrophobicContact CZ-CZ2 3.89Å; F166-N233 WeakPolarHBondContact CE1-OD1 3.3Å
167L67.3Low63.8Low4 Ų471.3 Ų71.32%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-83.5121.7171.9-162.465.1000108.8L176 M259 R262 W271L167-L176 HydrophobicContact CD1-CD2 3.86Å; L167-M259 HydrophobicContact CB-CB 4.33Å; L167-M259 WeakPolarHBondContact CB-O 3.29Å; L167-R262 HydrophobicContact CD2-CG 3.9Å; L167-R262 HydrophobicContact CG-CG 4.37Å; L167-W271 HydrophobicContact CD1-CB 4.38Å; L167-W271 HydrophobicContact CD1-CD2 4.35Å; L167-W271 HydrophobicContact CD1-CG 3.99Å; L167-W271 HydrophobicContact CD2-CB 4.4Å; L167-W271 HydrophobicContact CD2-CG 4.34Å
168A61.2Low63.4Low14 Ų1465.8 Ų65.812%0.11633%0.331CS..  trans-70.4143.9174.900000111.2A175 R262A168-A175 WeakPolarHBondContact CB-O 3.4Å; A168-A175 PolarHBondContact N-O 3.17Å; A168-R262 PolarHBondContact O-NE 3.33Å; A168-R262 PolarHBondContact O-NH2 2.81Å
169N55.9Low63.3Low83 Ų8363.1 Ų63.144%0.44432%0.321SS..  trans-83.6-3-178.7-84.719.4000114.8A373N169-A373 HydrophobicContact CB-CB 3.84Å; N169-A373 VanDerWaalsContact ND2-CB 3.27Å; N169-A373 WeakPolarHBondContact ND2-CB 3.31Å
170H52.2Low63.4Low148 Ų14866 Ų6669%0.68534%0.339SS*.  trans-82.1125.4-177.4-76.2-70.7000112.2D172 S173H170-D172 PolarHBondContact O-N 3.5Å; H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 VanDerWaalsContact O-N 3.16Å
171D50.5Low63.8Low170 Ų17063.7 Ų63.791%0.90933%0.329SS*.THydrogen-bonded Turntrans-50.2-28.7-176.8-95.4-27.4000115
172D47.3Very low64.9Low168 Ų16862.3 Ų62.390%0.89832%0.32SS*.THydrogen-bonded Turntrans-105.2-6.2-175.2-87.1-30.9000115.3H170H170-D172 PolarHBondContact O-N 3.5Å
173S52.2Low66.4Low45 Ų4556.3 Ų56.332%0.31529%0.292SS..  trans-108.6113.1-179.580.80000111.4H170 A175 R262H170-S173 PolarHBondContact O-N 3.26Å; H170-S173 VanDerWaalsContact O-N 3.16Å; S173-A175 PolarHBondContact O-N 3.14Å; S173-R262 PolarHBondContact O-NH2 2.88Å
174R53.8Low67.9Low230 Ų23056.9 Ų56.987%0.86829%0.294SS*.  trans-64.29.2164.3-70.8-175.1178.6178.9-0.6113.1L176R174-L176 PolarHBondContact O-N 3.41Å
175A60.3Low69.6Low51 Ų5156.9 Ų56.942%0.42129%0.294SS..PPolyproline II helixtrans-63.8128.5-172.800000110.8A168 S173 R262A168-A175 WeakPolarHBondContact CB-O 3.4Å; A168-A175 PolarHBondContact N-O 3.17Å; S173-A175 PolarHBondContact O-N 3.14Å; A175-R262 PolarHBondContact O-NH2 2.99Å
176L66.7Low71.2Confident61 Ų6157 Ų5732%0.31930%0.296SS..EExtended strand (participates in β ladder)trans-91.7129.1160.8-59.8-178.3000106.2F166 L167 R174 M259F166-L176 WeakPolarHBondContact O-CA 3.44Å; L167-L176 HydrophobicContact CD1-CD2 3.86Å; R174-L176 PolarHBondContact O-N 3.41Å; L176-M259 HydrophobicContact CD1-CE 4.48Å; L176-M259 HydrophobicContact CD2-CE 3.65Å
177Y66.6Low72.6Confident82 Ų8257.6 Ų57.632%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-97.1121.9176.6-177.7-98.6000109.1T165 F166 I179 F377T165-Y177 CarbonylContact C-O 3.57Å; T165-Y177 WeakPolarHBondContact CA-O 3.41Å; F166-Y177 HydrophobicContact CD2-CD1 4.4Å; F166-Y177 PolarHBondContact N-O 2.86Å; F166-Y177 PolarHBondContact O-N 2.79Å; Y177-I179 HydrophobicContact CD1-CG1 4.19Å; Y177-I179 HydrophobicContact CE1-CD1 4.43Å; Y177-I179 HydrophobicContact CE1-CG1 3.63Å; Y177-F377 HydrophobicContact CE1-CE2 4.06Å; Y177-F377 WeakPolarHBondContact OH-CE2 3.49Å
178A73.5Confident74Confident26 Ų2663 Ų6322%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-100.4141.2174.600000110E162 V164 T165 P180E162-A178 HydrophobicContact CB-CB 4.31Å; V164-A178 CarbonylContact O-C 3.54Å; V164-A178 VanDerWaalsContact O-CA 3.27Å; V164-A178 WeakPolarHBondContact O-CA 3.5Å; T165-A178 HydrophobicContact CG2-CB 4.05Å; A178-P180 WeakPolarHBondContact O-CD 3.24Å
179I81.9Confident75.7Confident0 Ų062.7 Ų62.70%032%0.32CS..EExtended strand (participates in β ladder)trans-98.1105.1164.4-61.6179.5000107.8V164 F166 Y177 L182 L205 W229 F377V164-I179 PolarHBondContact O-N 2.89Å; F166-I179 HydrophobicContact CD2-CD1 4.5Å; F166-I179 HydrophobicContact CE2-CD1 3.69Å; F166-I179 HydrophobicContact CE2-CG1 4.01Å; F166-I179 HydrophobicContact CZ-CD1 4.43Å; Y177-I179 HydrophobicContact CD1-CG1 4.19Å; Y177-I179 HydrophobicContact CE1-CD1 4.43Å; Y177-I179 HydrophobicContact CE1-CG1 3.63Å; I179-L182 HydrophobicContact CB-CB 4.07Å; I179-L182 HydrophobicContact CB-CD2 4.34Å; I179-L182 HydrophobicContact CD1-CD2 4.25Å; I179-L182 HydrophobicContact CG2-CB 3.81Å; I179-L182 HydrophobicContact CG2-CD2 4.44Å; I179-L182 PolarHBondContact O-N 3.39Å; I179-L205 HydrophobicContact CG2-CD1 3.65Å; I179-W229 HydrophobicContact CD1-CH2 3.21Å; I179-W229 HydrophobicContact CD1-CZ2 4.17Å; I179-W229 HydrophobicContact CD1-CZ3 3.57Å; I179-F377 HydrophobicContact CD1-CZ 4.43Å
180P84.7Confident77.7Confident61 Ų6158.8 Ų58.840%0.39630%0.299SS..THydrogen-bonded Turntrans-60.7138.7175.7-20.133.4000110.3A178 L182 H203A178-P180 WeakPolarHBondContact O-CD 3.24Å; P180-L182 PolarHBondContact O-N 2.97Å; P180-H203 PolarHBondContact O-CE1 2.78Å; P180-H203 PolarHBondContact O-NE2 2.75Å
181G87.8Confident79.9Confident1 Ų154.7 Ų54.71%0.0128%0.282CS..THydrogen-bonded Turntrans78.6-1.7176.700000115.1L146 I147 T161L146-G181 CarbonylContact C-O 3.52Å; L146-G181 WeakPolarHBondContact CA-O 3.49Å; I147-G181 PolarHBondContact N-O 2.86Å; T161-G181 PolarHBondContact O-N 3.38Å
182L90.8Very high82.2Confident0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-85131.6165.7-162.773.6000109.1L103 Q144 L146 A163 V164 I179 P180 W229L103-L182 HydrophobicContact CD1-CD1 3.74Å; Q144-L182 HydrophobicContact CG-CD1 3.91Å; Q144-L182 HydrophobicContact CG-CD2 4.47Å; Q144-L182 HydrophobicContact CG-CG 4.12Å; L146-L182 HydrophobicContact CD2-CD1 3.66Å; A163-L182 WeakPolarHBondContact CB-O 3.36Å; V164-L182 HydrophobicContact CB-CB 4.29Å; V164-L182 HydrophobicContact CB-CD2 3.79Å; V164-L182 HydrophobicContact CB-CG 4.36Å; V164-L182 HydrophobicContact CG1-CD2 4.02Å; V164-L182 HydrophobicContact CG2-CB 3.78Å; V164-L182 HydrophobicContact CG2-CD2 3.58Å; V164-L182 HydrophobicContact CG2-CG 3.7Å; I179-L182 HydrophobicContact CB-CB 4.07Å; I179-L182 HydrophobicContact CB-CD2 4.34Å; I179-L182 HydrophobicContact CD1-CD2 4.25Å; I179-L182 HydrophobicContact CG2-CB 3.81Å; I179-L182 HydrophobicContact CG2-CD2 4.44Å; I179-L182 PolarHBondContact O-N 3.39Å; P180-L182 PolarHBondContact O-N 2.97Å; L182-W229 HydrophobicContact CD2-CH2 4.25Å; L182-W229 HydrophobicContact CD2-CZ2 3.7Å
183D92.3Very high84.6Confident1 Ų139.4 Ų39.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-143.4173.7-178.8-164.418.2000112Y98 V145 I147 Q325Y98-D183 PolarHBondContact OH-OD2 3.11Å; V145-D183 HydrophobicContact CG2-CB 3.85Å; V145-D183 WeakPolarHBondContact CG2-O 3.19Å; V145-D183 PolarHBondContact N-O 2.84Å; V145-D183 PolarHBondContact O-N 3.34Å; I147-D183 HydrophobicContact CD1-CB 3.73Å; I147-D183 HydrophobicContact CG1-CB 3.97Å; D183-Q325 PolarHBondContact OD1-NE2 2.85Å
184Y92.8Very high86.6Confident13 Ų1340.4 Ų40.45%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-129117.2-175.8-65.2-51.1000109.9W106 Y143 Q144 V164 L237 F257W106-Y184 AromaticContact CH2-CD1 3.01Å; W106-Y184 HydrophobicContact CH2-CD1 3.01Å; W106-Y184 AromaticContact CH2-CE1 3.66Å; W106-Y184 HydrophobicContact CH2-CE1 3.66Å; W106-Y184 AromaticContact CH2-CG 3.57Å; W106-Y184 HydrophobicContact CH2-CG 3.57Å; W106-Y184 HydrophobicContact CZ2-CD1 4.19Å; W106-Y184 AromaticContact CZ3-CD1 3.23Å; W106-Y184 HydrophobicContact CZ3-CD1 3.23Å; W106-Y184 AromaticContact CZ3-CE1 3.59Å; W106-Y184 HydrophobicContact CZ3-CE1 3.59Å; W106-Y184 HydrophobicContact CZ3-CG 4.23Å; Y143-Y184 WeakPolarHBondContact O-CA 3.42Å; Q144-Y184 HydrophobicContact CB-CD1 4.25Å; Q144-Y184 HydrophobicContact CB-CE1 4.15Å; Q144-Y184 HydrophobicContact CG-CD1 4.06Å; Q144-Y184 HydrophobicContact CG-CE1 3.73Å; Q144-Y184 PolarHBondContact NE2-OH 2.81Å; V164-Y184 HydrophobicContact CB-CE2 4.45Å; V164-Y184 HydrophobicContact CG1-CE2 4.27Å; V164-Y184 WeakPolarHBondContact CG1-OH 3.3Å; V164-Y184 HydrophobicContact CG2-CD2 4.24Å; V164-Y184 HydrophobicContact CG2-CE2 3.47Å; V164-Y184 VanDerWaalsContact CG2-CE2 3.47Å; Y184-L237 HydrophobicContact CE1-CD2 3.62Å; Y184-F257 AromaticContact CD2-CE1 3.8Å; Y184-F257 HydrophobicContact CD2-CE1 3.8Å; Y184-F257 AromaticContact CD2-CE2 3.97Å; Y184-F257 HydrophobicContact CD2-CE2 3.97Å; Y184-F257 AromaticContact CD2-CZ 3.32Å; Y184-F257 HydrophobicContact CD2-CZ 3.32Å; Y184-F257 HydrophobicContact CE1-CE1 4.42Å; Y184-F257 HydrophobicContact CE2-CD1 4.26Å; Y184-F257 AromaticContact CE2-CE1 3.66Å; Y184-F257 HydrophobicContact CE2-CE1 3.66Å; Y184-F257 HydrophobicContact CE2-CE2 4.17Å; Y184-F257 AromaticContact CE2-CZ 3.6Å; Y184-F257 HydrophobicContact CE2-CZ 3.6Å; Y184-F257 HydrophobicContact CG-CE1 4.27Å; Y184-F257 AromaticContact CG-CZ 3.91Å; Y184-F257 HydrophobicContact CG-CZ 3.91Å; Y184-F257 AromaticContact CZ-CE1 3.95Å
185V95.3Very high88.5Confident0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-125147-174.3-54.90000111.2F91 Y98 Y142 Y143 V145 D189 I190F91-V185 HydrophobicContact CE2-CG1 4.45Å; F91-V185 HydrophobicContact CZ-CG1 4.36Å; F91-V185 HydrophobicContact CZ-CG2 4.31Å; Y98-V185 VanDerWaalsContact OH-CG1 3.24Å; Y98-V185 WeakPolarHBondContact OH-CG1 3.1Å; Y142-V185 CarbonylContact C-O 3.6Å; Y142-V185 WeakPolarHBondContact CA-O 3.27Å; Y143-V185 HydrophobicContact CD2-CG2 4.5Å; Y143-V185 PolarHBondContact N-O 3.14Å; Y143-V185 PolarHBondContact O-N 2.97Å; V145-V185 HydrophobicContact CG1-CG1 4.47Å; V145-V185 HydrophobicContact CG1-CG2 3.5Å; V145-V185 HydrophobicContact CG2-CG1 3.79Å; V145-V185 HydrophobicContact CG2-CG2 4.35Å; V185-D189 HydrophobicContact CB-CB 3.89Å; V185-I190 HydrophobicContact CG2-CD1 4.01Å; V185-I190 HydrophobicContact CG2-CG1 3.95Å
186S95.9Very high89.9Confident17 Ų1732.4 Ų32.412%0.11918%0.183CC..EExtended strand (participates in β ladder)trans-76.8165.7171.869.50000110.9E188 D189S186-E188 PolarHBondContact O-N 2.8Å; S186-E188 PolarHBondContact OG-N 3.49Å; S186-D189 WeakPolarHBondContact CB-OD2 3.42Å; S186-D189 PolarHBondContact N-OD2 3.33Å; S186-D189 WeakPolarHBondContact O-CB 3.38Å; S186-D189 PolarHBondContact O-N 3.25Å; S186-D189 VanDerWaalsContact O-N 3.16Å; S186-D189 PolarHBondContact OG-N 2.87Å; S186-D189 PolarHBondContact OG-OD2 3.28Å
187H96.8Very high91.1Very high34 Ų3433 Ų3316%0.15719%0.185CC..G310 helixtrans-56.7-36.1171.8-161.8109.7000113K80 G83 Y85 T141 Y143 D189 I190K80-H187 PolarHBondContact O-NE2 3.23Å; K80-H187 VanDerWaalsContact O-NE2 3.09Å; G83-H187 PolarHBondContact O-CE1 3.05Å; Y85-H187 AromaticContact CD2-CE1 3.79Å; Y85-H187 AromaticContact CD2-NE2 3.96Å; Y85-H187 AromaticContact CE2-CD2 3.68Å; Y85-H187 AromaticContact CE2-CE1 3.58Å; Y85-H187 AromaticContact CE2-NE2 3.27Å; Y85-H187 VanDerWaalsContact CE2-NE2 3.27Å; Y85-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y85-H187 AromaticContact CZ-NE2 3.85Å; T141-H187 PolarHBondContact O-N 3.13Å; Y143-H187 HydrophobicContact CE2-CB 4.02Å; Y143-H187 AromaticContact CE2-ND1 3.83Å; Y143-H187 AromaticContact CZ-ND1 3.8Å; Y143-H187 PolarHBondContact OH-CE1 2.94Å; Y143-H187 VanDerWaalsContact OH-CE1 3.3Å; Y143-H187 PolarHBondContact OH-ND1 2.66Å; H187-D189 VanDerWaalsContact C-N 3.25Å; H187-D189 PolarHBondContact O-N 3.29Å; H187-I190 PolarHBondContact O-N 3.37Å
188E95.6Very high92.4Very high119 Ų11935.3 Ų35.356%0.55620%0.198SC*.G310 helixtrans-74.6-15.8-178.4-62.2171.7-164.100112.9S94 S186 I190S94-E188 PolarHBondContact OG-O 2.51Å; S186-E188 PolarHBondContact O-N 2.8Å; S186-E188 PolarHBondContact OG-N 3.49Å; E188-I190 VanDerWaalsContact C-N 3.29Å
189D96.6Very high93.5Very high7 Ų737.5 Ų37.54%0.03721%0.209CC..G310 helixtrans-78.8-14176.9-69.9-41.1000112.9H93 S94 V185 S186 H187 R277H93-D189 CarbonylContact C-O 3.51Å; H93-D189 VanDerWaalsContact CA-O 3.31Å; H93-D189 WeakPolarHBondContact CA-O 3.37Å; H93-D189 VanDerWaalsContact CE1-CG 3.47Å; H93-D189 IonicContact CE1-OD1 3.92Å; H93-D189 PolarHBondContact CE1-OD1 3.06Å; H93-D189 IonicContact NE2-OD1 2.66Å; H93-D189 IonicContact NE2-OD2 3.86Å; S94-D189 PolarHBondContact N-O 3.35Å; S94-D189 WeakPolarHBondContact OG-CA 3.32Å; V185-D189 HydrophobicContact CB-CB 3.89Å; S186-D189 WeakPolarHBondContact CB-OD2 3.42Å; S186-D189 PolarHBondContact N-OD2 3.33Å; S186-D189 WeakPolarHBondContact O-CB 3.38Å; S186-D189 PolarHBondContact O-N 3.25Å; S186-D189 VanDerWaalsContact O-N 3.16Å; S186-D189 PolarHBondContact OG-N 2.87Å; S186-D189 PolarHBondContact OG-OD2 3.28Å; H187-D189 VanDerWaalsContact C-N 3.25Å; H187-D189 PolarHBondContact O-N 3.29Å; D189-R277 VanDerWaalsContact CG-NH1 3.26Å; D189-R277 IonicContact OD1-CZ 3.05Å; D189-R277 IonicContact OD1-NH1 2.94Å; D189-R277 PolarHBondContact OD1-NH1 3.3Å; D189-R277 IonicContact OD1-NH2 3.45Å; D189-R277 IonicContact OD2-CZ 3.14Å; D189-R277 IonicContact OD2-NH1 3.24Å; D189-R277 PolarHBondContact OD2-NH1 3.01Å; D189-R277 IonicContact OD2-NH2 3.5Å; D189-R277 PolarHBondContact OD2-NH2 3.17Å
190I98.3Very high94.1Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-93.9110.7-171.3-65.9176.2000110.1Y85 F91 V102 Y143 V185 H187 E188 P192Y85-I190 HydrophobicContact CD1-CG2 4.23Å; Y85-I190 HydrophobicContact CD2-CB 4.07Å; Y85-I190 HydrophobicContact CD2-CD1 3.55Å; Y85-I190 HydrophobicContact CD2-CG1 4.4Å; Y85-I190 HydrophobicContact CD2-CG2 3.74Å; Y85-I190 HydrophobicContact CE1-CG2 4.02Å; Y85-I190 HydrophobicContact CE2-CB 3.67Å; Y85-I190 HydrophobicContact CE2-CD1 4.04Å; Y85-I190 HydrophobicContact CE2-CG1 4.43Å; Y85-I190 HydrophobicContact CE2-CG2 3.48Å; Y85-I190 VanDerWaalsContact CE2-CG2 3.48Å; Y85-I190 HydrophobicContact CG-CD1 4.27Å; Y85-I190 HydrophobicContact CG-CG2 4.09Å; F91-I190 HydrophobicContact CB-CB 4.36Å; F91-I190 HydrophobicContact CB-CG2 3.56Å; F91-I190 HydrophobicContact CD2-CB 4.39Å; F91-I190 HydrophobicContact CD2-CG1 4.04Å; F91-I190 HydrophobicContact CD2-CG2 4.46Å; F91-I190 HydrophobicContact CE2-CG1 4.41Å; F91-I190 HydrophobicContact CG-CB 4.45Å; F91-I190 HydrophobicContact CG-CG1 4.19Å; F91-I190 HydrophobicContact CG-CG2 4.05Å; V102-I190 HydrophobicContact CG2-CD1 3.92Å; Y143-I190 HydrophobicContact CD1-CD1 4.5Å; Y143-I190 HydrophobicContact CD2-CD1 3.46Å; Y143-I190 VanDerWaalsContact CD2-CD1 3.46Å; Y143-I190 HydrophobicContact CE2-CD1 3.74Å; Y143-I190 HydrophobicContact CG-CD1 3.88Å; V185-I190 HydrophobicContact CG2-CD1 4.01Å; V185-I190 HydrophobicContact CG2-CG1 3.95Å; H187-I190 PolarHBondContact O-N 3.37Å; E188-I190 VanDerWaalsContact C-N 3.29Å; I190-P192 HydrophobicContact CG2-CB 4.45Å; I190-P192 VanDerWaalsContact O-CD 3.27Å; I190-P192 WeakPolarHBondContact O-CD 3.28Å
191L98.3Very high94.7Very high63 Ų6334.8 Ų34.833%0.3319%0.191SC..EExtended strand (participates in β ladder)trans-95.295.1162.1-57.1179.1000108.5F76 V79 F91 L92F76-L191 HydrophobicContact CE1-CB 4.25Å; V79-L191 HydrophobicContact CG2-CD2 4.18Å; F91-L191 CarbonylContact C-O 3.36Å; F91-L191 WeakPolarHBondContact CA-O 3.03Å; F91-L191 WeakPolarHBondContact CB-O 3.38Å; L92-L191 HydrophobicContact CB-CB 4.32Å; L92-L191 PolarHBondContact N-O 3.45Å; L92-L191 VanDerWaalsContact O-CB 3.31Å; L92-L191 WeakPolarHBondContact O-CB 3.45Å; L92-L191 PolarHBondContact O-N 2.88Å
192P98.3Very high95.1Very high1 Ų140 Ų401%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-68.4143.5-171.530.1-35.9000111.1E77 Y85 Q89 L90 I190E77-P192 HydrophobicContact CB-CB 4.04Å; E77-P192 HydrophobicContact CB-CG 3.92Å; E77-P192 PolarHBondContact N-O 3.09Å; Y85-P192 HydrophobicContact CD1-CB 4.47Å; Y85-P192 HydrophobicContact CE1-CB 3.81Å; Y85-P192 HydrophobicContact CE1-CG 3.85Å; Q89-P192 HydrophobicContact CG-CB 4.35Å; L90-P192 WeakPolarHBondContact O-CA 3.5Å; I190-P192 HydrophobicContact CG2-CB 4.45Å; I190-P192 VanDerWaalsContact O-CD 3.27Å; I190-P192 WeakPolarHBondContact O-CD 3.28Å
193Y97.7Very high95.4Very high15 Ų1541 Ų416%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-143.5162.7169.475.1-91.8000110.3V75 Q89 L90 F91 L92V75-Y193 CarbonylContact O-C 3.5Å; V75-Y193 WeakPolarHBondContact O-CA 3.38Å; V75-Y193 WeakPolarHBondContact O-CB 3.39Å; Q89-Y193 PolarHBondContact NE2-O 3.11Å; L90-Y193 HydrophobicContact CB-CD1 4.16Å; L90-Y193 HydrophobicContact CB-CD2 4.17Å; L90-Y193 HydrophobicContact CB-CE1 3.83Å; L90-Y193 HydrophobicContact CB-CE2 3.84Å; L90-Y193 HydrophobicContact CB-CG 4.31Å; L90-Y193 WeakPolarHBondContact CB-O 3.45Å; L90-Y193 HydrophobicContact CD1-CD2 4.33Å; L90-Y193 HydrophobicContact CD1-CE2 3.74Å; L90-Y193 HydrophobicContact CG-CE2 4.41Å; L90-Y193 PolarHBondContact O-N 2.74Å; F91-Y193 VanDerWaalsContact C-CE1 3.43Å; F91-Y193 WeakPolarHBondContact O-CE1 3.27Å; L92-Y193 HydrophobicContact CD2-CE1 4.26Å; L92-Y193 HydrophobicContact CG-CD1 4.29Å; L92-Y193 HydrophobicContact CG-CE1 4.28Å
194N95.1Very high95.5Very high67 Ų6746.4 Ų46.436%0.35825%0.245SC..EExtended strand (participates in β ladder)trans-111.9153.8169.153.362.1000111.5G74 V75 E77G74-N194 CarbonylContact C-O 3.6Å; G74-N194 WeakPolarHBondContact CA-O 3.33Å; V75-N194 WeakPolarHBondContact CB-OD1 3.49Å; V75-N194 PolarHBondContact N-O 2.88Å; V75-N194 PolarHBondContact O-N 2.6Å; E77-N194 WeakPolarHBondContact OE1-CB 3.38Å; E77-N194 PolarHBondContact OE1-ND2 3.5Å
195S93.4Very high95.6Very high18 Ų1845.8 Ų45.813%0.12624%0.243CC..  trans-135.9152.9174.2-1750000109.5V73 E197V73-S195 VanDerWaalsContact O-CB 3.23Å; V73-S195 WeakPolarHBondContact O-CB 3.33Å; V73-S195 PolarHBondContact O-OG 2.94Å; S195-E197 PolarHBondContact OG-N 2.8Å; S195-E197 VanDerWaalsContact OG-N 3.17Å
196A89.1Confident95.6Very high94 Ų9446.1 Ų46.178%0.77724%0.244SC*.SBendtrans-88-7.4170.900000112.5
197E92.8Very high95.7Very high75 Ų7551.3 Ų51.335%0.3527%0.266SS..  trans-66.4138.1178.6-66.5178.4-158.600111.1S195 V199 P200S195-E197 PolarHBondContact OG-N 2.8Å; S195-E197 VanDerWaalsContact OG-N 3.17Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-P200 HydrophobicContact CB-CB 4.2Å; E197-P200 WeakPolarHBondContact O-CD 3.22Å
198Q93.9Very high95.6Very high129 Ų12954.9 Ų54.960%0.60328%0.278SS*.SBendtrans-76.4-24.6174.1-63.3-177.426.100112.1P200 Y212 F220Q198-P200 VanDerWaalsContact C-CD 3.46Å; Q198-Y212 HydrophobicContact CB-CD2 4.44Å; Q198-Y212 HydrophobicContact CB-CG 4.38Å; Q198-Y212 HydrophobicContact CG-CD1 4.06Å; Q198-Y212 HydrophobicContact CG-CD2 4.36Å; Q198-Y212 HydrophobicContact CG-CE1 4Å; Q198-Y212 HydrophobicContact CG-CE2 4.3Å; Q198-Y212 HydrophobicContact CG-CG 4.24Å; Q198-F220 WeakPolarHBondContact O-CE1 3.14Å
199V95.4Very high95.7Very high73 Ų7349.7 Ų49.744%0.44225%0.254SS..SBendtrans-13068.4178.3-168.30000109.9E197 I201 F206E197-V199 VanDerWaalsContact C-N 3.33Å; V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 PolarHBondContact O-N 3.3Å; V199-F206 HydrophobicContact CB-CE1 4.44Å; V199-F206 HydrophobicContact CG1-CD1 4.03Å; V199-F206 HydrophobicContact CG1-CE1 4.04Å
200P95.8Very high95.8Very high3 Ų349.5 Ų49.52%0.01925%0.253CS..  trans-71.3-19.5-175.328.5-36.8000113.8L90 R150 E197 Q198 F206 F220L90-P200 HydrophobicContact CD1-CB 3.79Å; L90-P200 HydrophobicContact CD1-CG 3.85Å; L90-P200 HydrophobicContact CD2-CB 3.98Å; L90-P200 HydrophobicContact CD2-CG 3.56Å; L90-P200 HydrophobicContact CG-CG 4.31Å; R150-P200 PolarHBondContact NH2-O 3.31Å; E197-P200 HydrophobicContact CB-CB 4.2Å; E197-P200 WeakPolarHBondContact O-CD 3.22Å; Q198-P200 VanDerWaalsContact C-CD 3.46Å; P200-F206 HydrophobicContact CG-CE2 4.38Å; P200-F206 HydrophobicContact CG-CZ 4.17Å; P200-F220 VanDerWaalsContact CD-CZ 3.49Å; P200-F220 HydrophobicContact CG-CE2 3.85Å; P200-F220 HydrophobicContact CG-CZ 3.65Å
201I97.1Very high95.7Very high0 Ų054 Ų540%028%0.275CS..SBendtrans-121.5122.9-176.6-58.7-62000109.7L90 R99 I101 D148 V199 H203 F206L90-I201 HydrophobicContact CD2-CD1 4.25Å; L90-I201 HydrophobicContact CD2-CG1 3.91Å; R99-I201 HydrophobicContact CB-CD1 3.97Å; I101-I201 HydrophobicContact CB-CG1 3.96Å; I101-I201 HydrophobicContact CG2-CB 4.43Å; I101-I201 HydrophobicContact CG2-CG1 3.98Å; I101-I201 HydrophobicContact CG2-CG2 4.38Å; D148-I201 HydrophobicContact CB-CD1 4.14Å; D148-I201 HydrophobicContact CB-CG2 4.19Å; V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 PolarHBondContact O-N 3.3Å; I201-H203 HydrophobicContact CG2-CB 4.21Å; I201-H203 PolarHBondContact O-N 2.79Å; I201-F206 HydrophobicContact CB-CD2 3.79Å; I201-F206 HydrophobicContact CB-CE2 4Å; I201-F206 HydrophobicContact CG1-CD2 4.5Å; I201-F206 HydrophobicContact CG1-CE2 4.33Å; I201-F206 HydrophobicContact CG2-CD2 4.37Å
202Q96.5Very high95.7Very high111 Ų11154.8 Ų54.852%0.51927%0.274SS..  trans-85100.5173.5-172.1174.1-5.200109.9T149 R150T149-Q202 WeakPolarHBondContact CB-O 3.29Å; T149-Q202 WeakPolarHBondContact CG2-O 3.35Å; T149-Q202 PolarHBondContact N-O 3Å; T149-Q202 PolarHBondContact OG1-O 2.81Å; R150-Q202 HydrophobicContact CG-CB 4.15Å
203H95.9Very high95.5Very high21 Ų2157.2 Ų57.210%0.09729%0.287CS..  trans-155141.4175.5-166.7-46.8000110.8I147 P180 I201 L205 F206I147-H203 PolarHBondContact O-CD2 2.94Å; I147-H203 VanDerWaalsContact O-CD2 3.29Å; P180-H203 PolarHBondContact O-CE1 2.78Å; P180-H203 PolarHBondContact O-NE2 2.75Å; I201-H203 HydrophobicContact CG2-CB 4.21Å; I201-H203 PolarHBondContact O-N 2.79Å; H203-L205 PolarHBondContact ND1-N 2.82Å; H203-L205 VanDerWaalsContact ND1-N 3.14Å; H203-L205 PolarHBondContact O-N 2.84Å; H203-L205 VanDerWaalsContact O-N 3.13Å; H203-F206 HydrophobicContact CB-CB 4.34Å; H203-F206 VanDerWaalsContact O-CB 3.29Å; H203-F206 WeakPolarHBondContact O-CB 3.45Å; H203-F206 PolarHBondContact O-N 3.22Å
204E94.1Very high95.4Very high115 Ų11561.2 Ų61.254%0.53732%0.315SS..THydrogen-bonded Turntrans-57.1-2717971.2-178.5-178.700114.9
205L94.9Very high95.4Very high0 Ų062.3 Ų62.30%033%0.333CS..THydrogen-bonded Turntrans-92.1-9.7-178.4-62.2-177.9000112.5L146 I179 H203 R208 F209 F377L146-L205 HydrophobicContact CD1-CB 4.08Å; L146-L205 HydrophobicContact CD2-CB 4.14Å; L146-L205 HydrophobicContact CD2-CD1 4.18Å; I179-L205 HydrophobicContact CG2-CD1 3.65Å; H203-L205 PolarHBondContact ND1-N 2.82Å; H203-L205 VanDerWaalsContact ND1-N 3.14Å; H203-L205 PolarHBondContact O-N 2.84Å; H203-L205 VanDerWaalsContact O-N 3.13Å; L205-R208 PolarHBondContact O-N 3.27Å; L205-F209 HydrophobicContact CB-CD2 3.83Å; L205-F209 HydrophobicContact CB-CE2 3.82Å; L205-F209 HydrophobicContact CB-CZ 4.48Å; L205-F209 HydrophobicContact CD1-CE2 3.69Å; L205-F209 HydrophobicContact CD1-CZ 4.09Å; L205-F209 HydrophobicContact CD2-CZ 4.43Å; L205-F209 HydrophobicContact CG-CE2 4.22Å; L205-F209 WeakPolarHBondContact O-CB 3.33Å; L205-F209 WeakPolarHBondContact O-CG 3.32Å; L205-F209 PolarHBondContact O-N 3.29Å; L205-F377 HydrophobicContact CD2-CE1 3.91Å; L205-F377 HydrophobicContact CD2-CZ 4.18Å
206F97Very high95.4Very high7 Ų767.5 Ų67.53%0.03135%0.353CS..Hα-helixtrans-58.8-60.5-172.9179.2-95.3000111.7I101 V199 P200 I201 H203 R208 F209 L210 F220I101-F206 HydrophobicContact CD1-CD2 4.44Å; I101-F206 HydrophobicContact CD1-CE2 3.66Å; I101-F206 HydrophobicContact CG2-CD2 4.3Å; I101-F206 HydrophobicContact CG2-CE2 4.47Å; V199-F206 HydrophobicContact CB-CE1 4.44Å; V199-F206 HydrophobicContact CG1-CD1 4.03Å; V199-F206 HydrophobicContact CG1-CE1 4.04Å; P200-F206 HydrophobicContact CG-CE2 4.38Å; P200-F206 HydrophobicContact CG-CZ 4.17Å; I201-F206 HydrophobicContact CB-CD2 3.79Å; I201-F206 HydrophobicContact CB-CE2 4Å; I201-F206 HydrophobicContact CG1-CD2 4.5Å; I201-F206 HydrophobicContact CG1-CE2 4.33Å; I201-F206 HydrophobicContact CG2-CD2 4.37Å; H203-F206 HydrophobicContact CB-CB 4.34Å; H203-F206 VanDerWaalsContact O-CB 3.29Å; H203-F206 WeakPolarHBondContact O-CB 3.45Å; H203-F206 PolarHBondContact O-N 3.22Å; F206-R208 PolarHBondContact O-N 3.19Å; F206-F209 PolarHBondContact O-N 3.3Å; F206-L210 HydrophobicContact CD2-CD1 4.18Å; F206-L210 HydrophobicContact CE2-CD1 4.05Å; F206-L210 WeakPolarHBondContact O-CB 3.34Å; F206-L210 PolarHBondContact O-N 2.67Å; F206-F220 HydrophobicContact CE1-CE1 4.23Å; F206-F220 HydrophobicContact CZ-CD1 4.01Å; F206-F220 AromaticContact CZ-CE1 3.55Å; F206-F220 HydrophobicContact CZ-CE1 3.55Å; F206-F220 AromaticContact CZ-CZ 3.94Å; F206-F220 HydrophobicContact CZ-CZ 3.94Å
207E96.4Very high95.6Very high125 Ų12567.8 Ų67.858%0.58435%0.35SS*.Hα-helixtrans-72-21.9-179.8-61-173.1146.800112.6R223E207-R223 VanDerWaalsContact O-CD 3.24Å; E207-R223 WeakPolarHBondContact O-CD 3.33Å; E207-R223 VanDerWaalsContact O-CZ 3.26Å; E207-R223 PolarHBondContact O-NE 2.95Å
208R95.5Very high95.7Very high110 Ų11065 Ų6542%0.41534%0.339SS..Hα-helixtrans-69.1-40.7173.5-70.5-179.6171.5-169.2-8.5110.6L205 F206 R223 T225L205-R208 PolarHBondContact O-N 3.27Å; F206-R208 PolarHBondContact O-N 3.19Å; R208-R223 VanDerWaalsContact O-CD 3.22Å; R208-R223 WeakPolarHBondContact O-CD 3.39Å; R208-T225 PolarHBondContact O-OG1 3.28Å
209F97.4Very high95.8Very high9 Ų960.2 Ų60.24%0.03932%0.319CS..Hα-helixtrans-94.2-28.9-175.1-73.9-20.6000114.6L103 L146 L205 F206 R223 L226 W229L103-F209 HydrophobicContact CD1-CD2 4.07Å; L103-F209 HydrophobicContact CD1-CE2 4.14Å; L103-F209 HydrophobicContact CD2-CB 4.46Å; L103-F209 HydrophobicContact CD2-CD2 4.04Å; L146-F209 HydrophobicContact CD1-CD2 4.33Å; L205-F209 HydrophobicContact CB-CD2 3.83Å; L205-F209 HydrophobicContact CB-CE2 3.82Å; L205-F209 HydrophobicContact CB-CZ 4.48Å; L205-F209 HydrophobicContact CD1-CE2 3.69Å; L205-F209 HydrophobicContact CD1-CZ 4.09Å; L205-F209 HydrophobicContact CD2-CZ 4.43Å; L205-F209 HydrophobicContact CG-CE2 4.22Å; L205-F209 WeakPolarHBondContact O-CB 3.33Å; L205-F209 WeakPolarHBondContact O-CG 3.32Å; L205-F209 PolarHBondContact O-N 3.29Å; F206-F209 PolarHBondContact O-N 3.3Å; F209-R223 WeakPolarHBondContact O-CB 3.49Å; F209-R223 PolarHBondContact O-N 3.19Å; F209-L226 HydrophobicContact CB-CB 3.84Å; F209-L226 HydrophobicContact CB-CD1 4.19Å; F209-L226 HydrophobicContact CB-CD2 4.19Å; F209-L226 HydrophobicContact CB-CG 4.28Å; F209-L226 HydrophobicContact CD1-CB 3.93Å; F209-L226 HydrophobicContact CD1-CD1 4.25Å; F209-L226 HydrophobicContact CD2-CD1 4.05Å; F209-L226 HydrophobicContact CE2-CD1 4.47Å; F209-L226 HydrophobicContact CG-CB 4.03Å; F209-L226 HydrophobicContact CG-CD1 3.93Å; F209-L226 HydrophobicContact CG-CG 4.45Å; F209-L226 WeakPolarHBondContact O-CB 3.21Å; F209-W229 HydrophobicContact CE1-CB 4.04Å; F209-W229 HydrophobicContact CE1-CD2 4.46Å; F209-W229 HydrophobicContact CE1-CE3 4.49Å; F209-W229 HydrophobicContact CE1-CG 4.23Å; F209-W229 HydrophobicContact CZ-CB 4.18Å; F209-W229 AromaticContact CZ-CD2 3.77Å; F209-W229 HydrophobicContact CZ-CD2 3.77Å; F209-W229 AromaticContact CZ-CE3 3.84Å; F209-W229 HydrophobicContact CZ-CE3 3.84Å; F209-W229 AromaticContact CZ-CG 3.86Å; F209-W229 HydrophobicContact CZ-CG 3.86Å
210L98.1Very high95.9Very high3 Ų357 Ų572%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-124148-169.8-60.8171.9000111.5T87 I101 F206 F220 T221 R223 L226T87-L210 HydrophobicContact CG2-CD2 3.62Å; I101-L210 HydrophobicContact CD1-CD1 3.41Å; I101-L210 VanDerWaalsContact CD1-CD1 3.41Å; I101-L210 HydrophobicContact CG1-CD1 4.01Å; I101-L210 HydrophobicContact CG2-CD1 4.28Å; F206-L210 HydrophobicContact CD2-CD1 4.18Å; F206-L210 HydrophobicContact CE2-CD1 4.05Å; F206-L210 WeakPolarHBondContact O-CB 3.34Å; F206-L210 PolarHBondContact O-N 2.67Å; L210-F220 HydrophobicContact CB-CB 4.46Å; L210-T221 WeakPolarHBondContact CA-O 3.48Å; L210-R223 PolarHBondContact O-NE 3.25Å; L210-L226 HydrophobicContact CD2-CD2 3.81Å
211M97.1Very high96Very high94 Ų9458.5 Ų58.546%0.46331%0.308SS..EExtended strand (participates in β ladder)trans-124.7127173.8-175.4-178.6-62.200109N213 F220 T221 R223M211-N213 PolarHBondContact O-N 2.95Å; M211-F220 WeakPolarHBondContact O-CA 3.37Å; M211-T221 PolarHBondContact N-O 3.09Å; M211-T221 PolarHBondContact O-N 3.16Å; M211-T221 PolarHBondContact O-OG1 3.31Å; M211-R223 HydrophobicContact CB-CG 4.03Å; M211-R223 HydrophobicContact CE-CG 4.34Å
212Y97.1Very high96Very high81 Ų8160.7 Ų60.732%0.31832%0.322SS..EExtended strand (participates in β ladder)trans-62.5129174.3-178.5-104.8000110.2Q198 P214 P219 F220Q198-Y212 HydrophobicContact CB-CD2 4.44Å; Q198-Y212 HydrophobicContact CB-CG 4.38Å; Q198-Y212 HydrophobicContact CG-CD1 4.06Å; Q198-Y212 HydrophobicContact CG-CD2 4.36Å; Q198-Y212 HydrophobicContact CG-CE1 4Å; Q198-Y212 HydrophobicContact CG-CE2 4.3Å; Q198-Y212 HydrophobicContact CG-CG 4.24Å; Y212-P214 HydrophobicContact CE1-CB 3.99Å; Y212-P214 HydrophobicContact CE1-CG 4.08Å; Y212-P219 CarbonylContact C-O 3.5Å; Y212-P219 WeakPolarHBondContact CA-O 3.32Å; Y212-P219 HydrophobicContact CD2-CB 4.31Å; Y212-P219 WeakPolarHBondContact CD2-O 3.49Å; Y212-P219 HydrophobicContact CE2-CB 3.87Å; Y212-P219 HydrophobicContact CE2-CG 4.22Å; Y212-F220 HydrophobicContact CD2-CD1 4.35Å; Y212-F220 AromaticContact CD2-CE1 3.73Å; Y212-F220 HydrophobicContact CD2-CE1 3.73Å; Y212-F220 AromaticContact CD2-CZ 3.95Å; Y212-F220 HydrophobicContact CD2-CZ 3.95Å; Y212-F220 HydrophobicContact CG-CE1 4.41Å
213N95.4Very high96.1Very high51 Ų5160.1 Ų60.127%0.27332%0.315SS..  trans-141.6101.6177.6-175.5-13000109.4M211 A215 K216 P219 T221M211-N213 PolarHBondContact O-N 2.95Å; N213-A215 PolarHBondContact O-N 3.28Å; N213-A215 VanDerWaalsContact O-N 3.12Å; N213-A215 WeakPolarHBondContact OD1-CB 3.34Å; N213-A215 PolarHBondContact OD1-N 3.5Å; N213-K216 HydrophobicContact CB-CG 4.43Å; N213-K216 PolarHBondContact O-N 3.44Å; N213-K216 VanDerWaalsContact O-N 3.1Å; N213-P219 PolarHBondContact N-O 3.29Å; N213-P219 CarbonylContact O-C 3.54Å; N213-P219 VanDerWaalsContact O-CA 3.3Å; N213-P219 WeakPolarHBondContact O-CA 3.35Å; N213-T221 HydrophobicContact CB-CG2 4.09Å
214P94.4Very high96.1Very high99 Ų9964.7 Ų64.764%0.64334%0.34SS*.THydrogen-bonded Turntrans-67.7-12.6-176.328.1-34.6000113.6Y212 K216Y212-P214 HydrophobicContact CE1-CB 3.99Å; Y212-P214 HydrophobicContact CE1-CG 4.08Å; P214-K216 VanDerWaalsContact C-N 3.28Å
215A95.1Very high96.2Very high90 Ų9062.8 Ų62.874%0.74434%0.336SS*.THydrogen-bonded Turntrans-82.8-2.8175.700000113.4N213N213-A215 PolarHBondContact O-N 3.28Å; N213-A215 VanDerWaalsContact O-N 3.12Å; N213-A215 WeakPolarHBondContact OD1-CB 3.34Å; N213-A215 PolarHBondContact OD1-N 3.5Å
216K94.4Very high96.2Very high127 Ų12762.8 Ų62.855%0.55234%0.336SS*.SBendtrans-113156.5178.5-68.8-69.1-172176.30111N213 P214 P218 P219 T221N213-K216 HydrophobicContact CB-CG 4.43Å; N213-K216 PolarHBondContact O-N 3.44Å; N213-K216 VanDerWaalsContact O-N 3.1Å; P214-K216 VanDerWaalsContact C-N 3.28Å; K216-P218 CarbonylContact C-O 3.26Å; K216-P218 VanDerWaalsContact C-O 3.26Å; K216-P218 WeakPolarHBondContact CB-O 3.42Å; K216-P218 CarbonylContact O-C 3.48Å; K216-P219 VanDerWaalsContact O-CA 3.27Å; K216-P219 WeakPolarHBondContact O-CA 3.29Å; K216-T221 HydrophobicContact CB-CG2 4.36Å; K216-T221 HydrophobicContact CG-CG2 3.8Å
217S93.1Very high96Very high101 Ų10166.7 Ų66.771%0.70635%0.353SS*.SBendtrans-137.3107.6172.7-1760000107.7
218P95.3Very high95.8Very high17 Ų1763.3 Ų63.311%0.1135%0.347CS..SBendcis-61.6151.81.9-21.133.6000114.2E86 G88 Q89 K216 F220E86-P218 HydrophobicContact CB-CG 4.39Å; E86-P218 WeakPolarHBondContact OE2-CD 3.27Å; G88-P218 WeakPolarHBondContact O-CB 3.33Å; Q89-P218 HydrophobicContact CB-CG 4.12Å; K216-P218 CarbonylContact C-O 3.26Å; K216-P218 VanDerWaalsContact C-O 3.26Å; K216-P218 WeakPolarHBondContact CB-O 3.42Å; K216-P218 CarbonylContact O-C 3.48Å; P218-F220 PolarHBondContact O-N 3.2Å
219P96.3Very high95.5Very high28 Ų2858.1 Ų58.118%0.18233%0.327CS..SBendtrans-80.232.8-173.435.6-37.9000113.3Y212 N213 K216Y212-P219 CarbonylContact C-O 3.5Å; Y212-P219 WeakPolarHBondContact CA-O 3.32Å; Y212-P219 HydrophobicContact CD2-CB 4.31Å; Y212-P219 WeakPolarHBondContact CD2-O 3.49Å; Y212-P219 HydrophobicContact CE2-CB 3.87Å; Y212-P219 HydrophobicContact CE2-CG 4.22Å; N213-P219 PolarHBondContact N-O 3.29Å; N213-P219 CarbonylContact O-C 3.54Å; N213-P219 VanDerWaalsContact O-CA 3.3Å; N213-P219 WeakPolarHBondContact O-CA 3.35Å; K216-P219 VanDerWaalsContact O-CA 3.27Å; K216-P219 WeakPolarHBondContact O-CA 3.29Å
220F97.8Very high95.2Very high5 Ų560.7 Ų60.72%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-134.2134.7177.9-62.8-76.4000109.9I101 Q198 P200 F206 L210 M211 Y212 P218I101-F220 HydrophobicContact CD1-CD2 4.06Å; I101-F220 HydrophobicContact CD1-CG 4.36Å; Q198-F220 WeakPolarHBondContact O-CE1 3.14Å; P200-F220 VanDerWaalsContact CD-CZ 3.49Å; P200-F220 HydrophobicContact CG-CE2 3.85Å; P200-F220 HydrophobicContact CG-CZ 3.65Å; F206-F220 HydrophobicContact CE1-CE1 4.23Å; F206-F220 HydrophobicContact CZ-CD1 4.01Å; F206-F220 AromaticContact CZ-CE1 3.55Å; F206-F220 HydrophobicContact CZ-CE1 3.55Å; F206-F220 AromaticContact CZ-CZ 3.94Å; F206-F220 HydrophobicContact CZ-CZ 3.94Å; L210-F220 HydrophobicContact CB-CB 4.46Å; M211-F220 WeakPolarHBondContact O-CA 3.37Å; Y212-F220 HydrophobicContact CD2-CD1 4.35Å; Y212-F220 AromaticContact CD2-CE1 3.73Å; Y212-F220 HydrophobicContact CD2-CE1 3.73Å; Y212-F220 AromaticContact CD2-CZ 3.95Å; Y212-F220 HydrophobicContact CD2-CZ 3.95Å; Y212-F220 HydrophobicContact CG-CE1 4.41Å; P218-F220 PolarHBondContact O-N 3.2Å
221T96.9Very high94.7Very high34 Ų3467.7 Ų67.721%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-119148.4178.354.50000111L210 M211 N213 K216 R223L210-T221 WeakPolarHBondContact CA-O 3.48Å; M211-T221 PolarHBondContact N-O 3.09Å; M211-T221 PolarHBondContact O-N 3.16Å; M211-T221 PolarHBondContact O-OG1 3.31Å; N213-T221 HydrophobicContact CB-CG2 4.09Å; K216-T221 HydrophobicContact CB-CG2 4.36Å; K216-T221 HydrophobicContact CG-CG2 3.8Å; T221-R223 PolarHBondContact O-N 3.13Å
222P97.8Very high94Very high46 Ų4666.9 Ų66.930%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-68129.6178.527.4-34000111T87 L226 K227T87-P222 HydrophobicContact CG2-CB 4.2Å; T87-P222 HydrophobicContact CG2-CG 4.49Å; P222-L226 HydrophobicContact CB-CB 4.31Å; P222-L226 HydrophobicContact CB-CD2 3.86Å; P222-L226 HydrophobicContact CB-CG 4.3Å; P222-K227 HydrophobicContact CB-CG 4.36Å
223R98Very high93.2Very high99 Ų9963.4 Ų63.437%0.37435%0.353SS..  trans-74.9164164.1-68.2177.1175.5-116.99.5110.3E207 R208 F209 L210 M211 T221 T225 L226 K227E207-R223 VanDerWaalsContact O-CD 3.24Å; E207-R223 WeakPolarHBondContact O-CD 3.33Å; E207-R223 VanDerWaalsContact O-CZ 3.26Å; E207-R223 PolarHBondContact O-NE 2.95Å; R208-R223 VanDerWaalsContact O-CD 3.22Å; R208-R223 WeakPolarHBondContact O-CD 3.39Å; F209-R223 WeakPolarHBondContact O-CB 3.49Å; F209-R223 PolarHBondContact O-N 3.19Å; L210-R223 PolarHBondContact O-NE 3.25Å; M211-R223 HydrophobicContact CB-CG 4.03Å; M211-R223 HydrophobicContact CE-CG 4.34Å; T221-R223 PolarHBondContact O-N 3.13Å; R223-T225 WeakPolarHBondContact CB-OG1 3.02Å; R223-T225 PolarHBondContact O-N 3.34Å; R223-L226 PolarHBondContact O-N 2.64Å; R223-K227 PolarHBondContact O-N 3Å; R223-K227 VanDerWaalsContact O-N 3.14Å
224D96.6Very high92.4Very high117 Ų11762.9 Ų62.963%0.62635%0.349SS*.Hα-helixtrans-63.9-28.3-179.5-61.4-33.3000113L226 K227 A228D224-L226 PolarHBondContact O-N 2.97Å; D224-K227 PolarHBondContact O-N 3.41Å; D224-K227 IonicContact OD1-NZ 2.83Å; D224-K227 PolarHBondContact OD1-NZ 2.74Å; D224-A228 WeakPolarHBondContact O-CB 3.45Å; D224-A228 PolarHBondContact O-N 3.37Å
225T94.8Very high91.7Very high75 Ų7561.1 Ų61.146%0.4634%0.337SS..Hα-helixtrans-57.2-42.4168.144.90000113R208 R223 W229R208-T225 PolarHBondContact O-OG1 3.28Å; R223-T225 WeakPolarHBondContact CB-OG1 3.02Å; R223-T225 PolarHBondContact O-N 3.34Å; T225-W229 VanDerWaalsContact O-CB 3.23Å; T225-W229 WeakPolarHBondContact O-CB 3.38Å; T225-W229 PolarHBondContact O-N 2.95Å
226L95.3Very high90.7Very high0 Ų058.3 Ų58.30%031%0.307CS..Hα-helixtrans-71.8-38.5176.4179.456000111.1T87 L103 F104 F209 L210 P222 R223 D224 W229 Q230T87-L226 HydrophobicContact CG2-CD2 3.84Å; L103-L226 HydrophobicContact CB-CD1 4.11Å; L103-L226 HydrophobicContact CD1-CD1 4.32Å; L103-L226 HydrophobicContact CD2-CD1 4.18Å; L103-L226 HydrophobicContact CD2-CD2 4.21Å; L103-L226 HydrophobicContact CG-CD1 4.46Å; F104-L226 HydrophobicContact CD1-CD1 4.08Å; F104-L226 HydrophobicContact CE1-CD1 4.16Å; F209-L226 HydrophobicContact CB-CB 3.84Å; F209-L226 HydrophobicContact CB-CD1 4.19Å; F209-L226 HydrophobicContact CB-CD2 4.19Å; F209-L226 HydrophobicContact CB-CG 4.28Å; F209-L226 HydrophobicContact CD1-CB 3.93Å; F209-L226 HydrophobicContact CD1-CD1 4.25Å; F209-L226 HydrophobicContact CD2-CD1 4.05Å; F209-L226 HydrophobicContact CE2-CD1 4.47Å; F209-L226 HydrophobicContact CG-CB 4.03Å; F209-L226 HydrophobicContact CG-CD1 3.93Å; F209-L226 HydrophobicContact CG-CG 4.45Å; F209-L226 WeakPolarHBondContact O-CB 3.21Å; L210-L226 HydrophobicContact CD2-CD2 3.81Å; P222-L226 HydrophobicContact CB-CB 4.31Å; P222-L226 HydrophobicContact CB-CD2 3.86Å; P222-L226 HydrophobicContact CB-CG 4.3Å; R223-L226 PolarHBondContact O-N 2.64Å; D224-L226 PolarHBondContact O-N 2.97Å; L226-W229 WeakPolarHBondContact O-CB 3.16Å; L226-W229 PolarHBondContact O-N 2.7Å; L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.78Å
227K94.1Very high89.8Confident89 Ų8952.5 Ų52.539%0.38728%0.282SS..Hα-helixtrans-62.9-48.4176-61.5176.8-164.8154.80111.1P222 R223 D224 W229 Q230 E231P222-K227 HydrophobicContact CB-CG 4.36Å; R223-K227 PolarHBondContact O-N 3Å; R223-K227 VanDerWaalsContact O-N 3.14Å; D224-K227 PolarHBondContact O-N 3.41Å; D224-K227 IonicContact OD1-NZ 2.83Å; D224-K227 PolarHBondContact OD1-NZ 2.74Å; K227-W229 VanDerWaalsContact C-N 3.3Å; K227-W229 PolarHBondContact O-N 3.35Å; K227-Q230 WeakPolarHBondContact O-CB 3.4Å; K227-Q230 PolarHBondContact O-N 3.32Å; K227-Q230 VanDerWaalsContact O-N 3.11Å; K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.33Å
228A91.3Very high88.9Confident54 Ų5453.4 Ų53.445%0.44628%0.275SS..Hα-helixtrans-60.8-40.5175.800000111.7D224 K232D224-A228 WeakPolarHBondContact O-CB 3.45Å; D224-A228 PolarHBondContact O-N 3.37Å; A228-K232 VanDerWaalsContact O-CB 3.22Å; A228-K232 WeakPolarHBondContact O-CB 3.49Å; A228-K232 PolarHBondContact O-N 3.14Å; A228-K232 VanDerWaalsContact O-N 3.09Å
229W89.6Confident87.9Confident2 Ų255.6 Ų55.61%0.00829%0.286CS..Hα-helixtrans-60.4-46.4172.6171.8-82000111.7F104 F166 I179 L182 F209 T225 L226 K227 K232 N233 Y375F104-W229 AromaticContact CE1-CD1 3.62Å; F104-W229 AromaticContact CE1-NE1 3.86Å; F104-W229 AromaticContact CZ-NE1 3.96Å; F166-W229 HydrophobicContact CE1-CH2 4.45Å; F166-W229 AromaticContact CE2-CH2 3.92Å; F166-W229 HydrophobicContact CE2-CH2 3.92Å; F166-W229 AromaticContact CZ-CH2 3.54Å; F166-W229 HydrophobicContact CZ-CH2 3.54Å; F166-W229 AromaticContact CZ-CZ2 3.89Å; F166-W229 HydrophobicContact CZ-CZ2 3.89Å; I179-W229 HydrophobicContact CD1-CH2 3.21Å; I179-W229 HydrophobicContact CD1-CZ2 4.17Å; I179-W229 HydrophobicContact CD1-CZ3 3.57Å; L182-W229 HydrophobicContact CD2-CH2 4.25Å; L182-W229 HydrophobicContact CD2-CZ2 3.7Å; F209-W229 HydrophobicContact CE1-CB 4.04Å; F209-W229 HydrophobicContact CE1-CD2 4.46Å; F209-W229 HydrophobicContact CE1-CE3 4.49Å; F209-W229 HydrophobicContact CE1-CG 4.23Å; F209-W229 HydrophobicContact CZ-CB 4.18Å; F209-W229 AromaticContact CZ-CD2 3.77Å; F209-W229 HydrophobicContact CZ-CD2 3.77Å; F209-W229 AromaticContact CZ-CE3 3.84Å; F209-W229 HydrophobicContact CZ-CE3 3.84Å; F209-W229 AromaticContact CZ-CG 3.86Å; F209-W229 HydrophobicContact CZ-CG 3.86Å; T225-W229 VanDerWaalsContact O-CB 3.23Å; T225-W229 WeakPolarHBondContact O-CB 3.38Å; T225-W229 PolarHBondContact O-N 2.95Å; L226-W229 WeakPolarHBondContact O-CB 3.16Å; L226-W229 PolarHBondContact O-N 2.7Å; K227-W229 VanDerWaalsContact C-N 3.3Å; K227-W229 PolarHBondContact O-N 3.35Å; W229-K232 PolarHBondContact O-N 3.29Å; W229-N233 WeakPolarHBondContact CZ2-ND2 3.22Å; W229-N233 PolarHBondContact NE1-ND2 2.93Å; W229-N233 WeakPolarHBondContact O-CB 3.42Å; W229-N233 PolarHBondContact O-N 3.24Å; W229-N233 PolarHBondContact O-ND2 3.09Å; W229-Y375 HydrophobicContact CE3-CD1 4.37Å; W229-Y375 HydrophobicContact CE3-CD2 4.3Å; W229-Y375 AromaticContact CE3-CE1 3.57Å; W229-Y375 HydrophobicContact CE3-CE1 3.57Å; W229-Y375 AromaticContact CE3-CE2 3.54Å; W229-Y375 HydrophobicContact CE3-CE2 3.54Å; W229-Y375 AromaticContact CE3-CZ 3.07Å; W229-Y375 HydrophobicContact CH2-CD2 4.31Å; W229-Y375 AromaticContact CH2-CE2 3.59Å; W229-Y375 HydrophobicContact CH2-CE2 3.59Å; W229-Y375 AromaticContact CH2-CZ 3.99Å; W229-Y375 HydrophobicContact CZ3-CD1 4.35Å; W229-Y375 AromaticContact CZ3-CD2 3.53Å; W229-Y375 HydrophobicContact CZ3-CD2 3.53Å; W229-Y375 AromaticContact CZ3-CE1 3.82Å; W229-Y375 HydrophobicContact CZ3-CE1 3.82Å; W229-Y375 AromaticContact CZ3-CE2 2.92Å; W229-Y375 HydrophobicContact CZ3-CE2 2.92Å; W229-Y375 HydrophobicContact CZ3-CG 4.23Å; W229-Y375 AromaticContact CZ3-CZ 3.06Å; W229-Y375 VanDerWaalsContact CZ3-OH 3.3Å; W229-Y375 WeakPolarHBondContact CZ3-OH 3.37Å
230Q90.4Very high87.4Confident62 Ų6254.3 Ų54.329%0.2928%0.277SS..Hα-helixtrans-63.1-49.5178.9-179.4179.7-5.100111.1F104 L226 K227 K232 N233 H234F104-Q230 HydrophobicContact CB-CG 4.38Å; F104-Q230 HydrophobicContact CD1-CB 3.97Å; F104-Q230 HydrophobicContact CD1-CG 4.01Å; F104-Q230 HydrophobicContact CD2-CG 3.85Å; F104-Q230 HydrophobicContact CE1-CB 4Å; F104-Q230 HydrophobicContact CE1-CG 4.27Å; F104-Q230 HydrophobicContact CE2-CG 4.08Å; F104-Q230 HydrophobicContact CG-CB 4.3Å; F104-Q230 HydrophobicContact CG-CG 3.8Å; F104-Q230 HydrophobicContact CZ-CB 4.29Å; F104-Q230 HydrophobicContact CZ-CG 4.28Å; L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.78Å; K227-Q230 WeakPolarHBondContact O-CB 3.4Å; K227-Q230 PolarHBondContact O-N 3.32Å; K227-Q230 VanDerWaalsContact O-N 3.11Å; Q230-K232 PolarHBondContact O-N 3.09Å; Q230-N233 PolarHBondContact O-N 3.34Å; Q230-H234 HydrophobicContact CG-CB 4.38Å; Q230-H234 WeakPolarHBondContact O-CB 3.23Å; Q230-H234 PolarHBondContact O-N 3.05Å
231E87.2Confident87.1Confident150 Ų15055.9 Ų55.970%0.70129%0.286SS*.Hα-helixtrans-55.1-38.3177.5-73.1172-17600112K227 P235K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.33Å; E231-P235 WeakPolarHBondContact O-CD 3.23Å
232K83.2Confident87.1Confident78 Ų7854.2 Ų54.234%0.33928%0.276SS..Hα-helixtrans-76.8-34-179-173.1170.6-167.6-139.40113.3A228 W229 Q230 W236 P372 A373 Y375A228-K232 VanDerWaalsContact O-CB 3.22Å; A228-K232 WeakPolarHBondContact O-CB 3.49Å; A228-K232 PolarHBondContact O-N 3.14Å; A228-K232 VanDerWaalsContact O-N 3.09Å; W229-K232 PolarHBondContact O-N 3.29Å; Q230-K232 PolarHBondContact O-N 3.09Å; K232-W236 PolarHBondContact O-NE1 2.69Å; K232-P372 HydrophobicContact CD-CB 3.86Å; K232-P372 HydrophobicContact CD-CG 4.01Å; K232-P372 VanDerWaalsContact CE-CA 3.45Å; K232-P372 HydrophobicContact CG-CB 3.78Å; K232-P372 HydrophobicContact CG-CG 3.34Å; K232-P372 WeakPolarHBondContact O-CG 3.37Å; K232-A373 PolarHBondContact NZ-O 2.94Å; K232-A373 VanDerWaalsContact NZ-O 3.11Å; K232-Y375 HydrophobicContact CD-CE1 4.47Å
233N80Confident87.1Confident7 Ų752.9 Ų52.94%0.03727%0.266CS..Hα-helixtrans-99.5-29.7-173.9-71.9-75.8000114.5F166 W229 Q230 P235 W236 L237 Y375F166-N233 WeakPolarHBondContact CE1-OD1 3.3Å; W229-N233 WeakPolarHBondContact CZ2-ND2 3.22Å; W229-N233 PolarHBondContact NE1-ND2 2.93Å; W229-N233 WeakPolarHBondContact O-CB 3.42Å; W229-N233 PolarHBondContact O-N 3.24Å; W229-N233 PolarHBondContact O-ND2 3.09Å; Q230-N233 PolarHBondContact O-N 3.34Å; N233-P235 VanDerWaalsContact C-CD 3.5Å; N233-W236 WeakPolarHBondContact O-CB 3.35Å; N233-W236 PolarHBondContact O-N 3.37Å; N233-W236 VanDerWaalsContact O-N 3.13Å; N233-L237 PolarHBondContact O-N 3.06Å; N233-Y375 PolarHBondContact ND2-OH 3.26Å; N233-Y375 VanDerWaalsContact ND2-OH 3.09Å
234H80Confident87Confident41 Ų4149.7 Ų49.719%0.1925%0.254CS..Hα-helixtrans-57.3-42.7-174.3-168.1-85.1000113.7Q230 W236 L237 E238Q230-H234 HydrophobicContact CG-CB 4.38Å; Q230-H234 WeakPolarHBondContact O-CB 3.23Å; Q230-H234 PolarHBondContact O-N 3.05Å; H234-W236 PolarHBondContact O-N 2.99Å; H234-L237 PolarHBondContact O-N 3.13Å; H234-L237 VanDerWaalsContact O-N 3.09Å; H234-E238 IonicContact CE1-OE1 3.23Å; H234-E238 PolarHBondContact CE1-OE1 2.61Å; H234-E238 IonicContact ND1-OE1 2.8Å; H234-E238 PolarHBondContact ND1-OE1 3.05Å; H234-E238 PolarHBondContact O-N 2.85Å; H234-E238 VanDerWaalsContact O-N 3.16Å
235P77.8Confident87.1Confident62 Ų6245 Ų4540%0.40323%0.228SC..Hα-helixtrans-59.4-31.6178.1-25.335.9000113.7E231 N233E231-P235 WeakPolarHBondContact O-CD 3.23Å; N233-P235 VanDerWaalsContact C-CD 3.5Å
236W74.7Confident87.3Confident31 Ų3143.3 Ų43.312%0.11722%0.217CC..Hα-helixtrans-77-29.9179.3-55100.8000112.5K232 N233 H234 L239 S240 Y258 N365 K369 P371 P372K232-W236 PolarHBondContact O-NE1 2.69Å; N233-W236 WeakPolarHBondContact O-CB 3.35Å; N233-W236 PolarHBondContact O-N 3.37Å; N233-W236 VanDerWaalsContact O-N 3.13Å; H234-W236 PolarHBondContact O-N 2.99Å; W236-L239 HydrophobicContact CE3-CD1 4.25Å; W236-L239 PolarHBondContact O-N 3.35Å; W236-S240 PolarHBondContact O-OG 2.94Å; W236-Y258 AromaticContact CE3-CD1 3.68Å; W236-Y258 HydrophobicContact CE3-CD1 3.68Å; W236-Y258 HydrophobicContact CE3-CE1 4.27Å; W236-Y258 HydrophobicContact CH2-CE1 4.36Å; W236-Y258 AromaticContact CZ3-CD1 3.41Å; W236-Y258 HydrophobicContact CZ3-CD1 3.41Å; W236-Y258 VanDerWaalsContact CZ3-CD1 3.41Å; W236-Y258 AromaticContact CZ3-CE1 3.56Å; W236-Y258 HydrophobicContact CZ3-CE1 3.56Å; W236-N365 HydrophobicContact CE3-CB 4.49Å; W236-N365 HydrophobicContact CH2-CB 4.04Å; W236-N365 HydrophobicContact CZ3-CB 3.57Å; W236-K369 WeakPolarHBondContact CH2-O 3.38Å; W236-P371 HydrophobicContact CZ2-CB 4.36Å; W236-P372 VanDerWaalsContact NE1-CD 3.25Å
237L76.6Confident87.4Confident5 Ų544.5 Ų44.53%0.02623%0.225CC..Hα-helixtrans-73-30.3175.7-66.6168000111.7F104 W106 Y184 N233 H234 L239 S240 F257F104-L237 HydrophobicContact CE2-CD1 3.87Å; F104-L237 HydrophobicContact CZ-CD1 4.39Å; W106-L237 HydrophobicContact CB-CB 4.48Å; W106-L237 HydrophobicContact CD2-CB 4.07Å; W106-L237 HydrophobicContact CD2-CD1 4.15Å; W106-L237 HydrophobicContact CD2-CD2 4.41Å; W106-L237 HydrophobicContact CD2-CG 4.44Å; W106-L237 HydrophobicContact CE3-CB 4.41Å; W106-L237 HydrophobicContact CE3-CD1 3.65Å; W106-L237 HydrophobicContact CE3-CD2 4.24Å; W106-L237 HydrophobicContact CE3-CG 4.32Å; W106-L237 HydrophobicContact CG-CB 4.08Å; W106-L237 HydrophobicContact CH2-CD2 4.23Å; W106-L237 HydrophobicContact CZ2-CD2 4.34Å; W106-L237 HydrophobicContact CZ3-CD1 4.07Å; W106-L237 HydrophobicContact CZ3-CD2 4.12Å; Y184-L237 HydrophobicContact CE1-CD2 3.62Å; N233-L237 PolarHBondContact O-N 3.06Å; H234-L237 PolarHBondContact O-N 3.13Å; H234-L237 VanDerWaalsContact O-N 3.09Å; L237-L239 PolarHBondContact O-N 2.88Å; L237-S240 WeakPolarHBondContact O-CB 3.25Å; L237-S240 PolarHBondContact O-N 2.94Å; L237-S240 PolarHBondContact O-OG 3.07Å; L237-F257 HydrophobicContact CD2-CD1 4.01Å; L237-F257 HydrophobicContact CD2-CE1 3.78Å
238E74Confident87.5Confident119 Ų11945.4 Ų45.456%0.55623%0.23SC*.THydrogen-bonded Turntrans-66-20.9176.2-71-176.7168.400113.7H234H234-E238 IonicContact CE1-OE1 3.23Å; H234-E238 PolarHBondContact CE1-OE1 2.61Å; H234-E238 IonicContact ND1-OE1 2.8Å; H234-E238 PolarHBondContact ND1-OE1 3.05Å; H234-E238 PolarHBondContact O-N 2.85Å; H234-E238 VanDerWaalsContact O-N 3.16Å
239L74.2Confident87.8Confident63 Ų6347.3 Ų47.333%0.3323%0.233SC..THydrogen-bonded Turntrans-77.8-10.8171.6-60.1175.8000112.8W236 L237 D241 N365W236-L239 HydrophobicContact CE3-CD1 4.25Å; W236-L239 PolarHBondContact O-N 3.35Å; L237-L239 PolarHBondContact O-N 2.88Å; L239-D241 PolarHBondContact O-N 3.11Å; L239-N365 HydrophobicContact CD1-CB 4Å
240S84.6Confident88.2Confident1 Ų147.3 Ų47.31%0.00723%0.233CC..  trans-93.484.9-170.8-51.80000110.5A108 W236 L237 P256 F257A108-S240 WeakPolarHBondContact CB-O 2.9Å; W236-S240 PolarHBondContact O-OG 2.94Å; L237-S240 WeakPolarHBondContact O-CB 3.25Å; L237-S240 PolarHBondContact O-N 2.94Å; L237-S240 PolarHBondContact O-OG 3.07Å; S240-P256 WeakPolarHBondContact CA-O 3.31Å; S240-P256 WeakPolarHBondContact CB-O 3.19Å; S240-P256 PolarHBondContact OG-O 2.82Å; S240-P256 VanDerWaalsContact OG-O 3.08Å; S240-F257 VanDerWaalsContact OG-CD1 3.3Å; S240-F257 WeakPolarHBondContact OG-CD1 3.44Å
241D92.6Very high88.6Confident38 Ų3846.7 Ų46.720%0.20323%0.228CC..  trans-68.3154.5168.6-79.1-18.8000111.2R109 Y111 L239 P256R109-D241 VanDerWaalsContact CB-OD1 3.29Å; R109-D241 WeakPolarHBondContact CB-OD1 3.39Å; R109-D241 WeakPolarHBondContact CG-OD1 3.41Å; Y111-D241 HydrophobicContact CD2-CB 4.28Å; Y111-D241 HydrophobicContact CE2-CB 3.8Å; Y111-D241 VanDerWaalsContact CE2-OD2 3.29Å; Y111-D241 WeakPolarHBondContact CE2-OD2 3.5Å; Y111-D241 PolarHBondContact OH-OD2 3.16Å; L239-D241 PolarHBondContact O-N 3.11Å; D241-P256 WeakPolarHBondContact O-CD 3.08Å
242V96.1Very high89.1Confident0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-113.5133.8179.8-175.50000110A108 R109 L110 Y111 Y142 T253 V254 I255A108-V242 HydrophobicContact CB-CG2 3.77Å; R109-V242 PolarHBondContact O-N 2.78Å; L110-V242 CarbonylContact C-O 3.55Å; L110-V242 WeakPolarHBondContact CA-O 3.37Å; L110-V242 HydrophobicContact CD1-CB 3.86Å; L110-V242 HydrophobicContact CD1-CG1 3.61Å; Y111-V242 PolarHBondContact N-O 3.35Å; Y142-V242 HydrophobicContact CD2-CG2 4.38Å; Y142-V242 HydrophobicContact CE1-CG2 4.27Å; Y142-V242 HydrophobicContact CE2-CB 4.46Å; Y142-V242 HydrophobicContact CE2-CG2 3.78Å; Y142-V242 WeakPolarHBondContact OH-CG1 3.35Å; V242-T253 HydrophobicContact CG1-CG2 3.6Å; V242-V254 WeakPolarHBondContact CA-O 3.33Å; V242-I255 HydrophobicContact CB-CG1 4.44Å; V242-I255 HydrophobicContact CG1-CD1 4.46Å; V242-I255 HydrophobicContact CG1-CG1 4.01Å; V242-I255 HydrophobicContact CG2-CD1 3.96Å; V242-I255 HydrophobicContact CG2-CG1 3.87Å; V242-I255 HydrophobicContact CG2-CG2 4.25Å
243H97.4Very high89.9Confident17 Ų1736.7 Ų36.78%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-121.7130.4-177.6-60.2-98.1000109.9Y111 T253 V254 P358 P359 F360Y111-H243 AromaticContact CD2-CE1 3.65Å; Y111-H243 AromaticContact CD2-ND1 3.97Å; H243-T253 CarbonylContact O-C 3.55Å; H243-T253 WeakPolarHBondContact O-CA 3.31Å; H243-V254 PolarHBondContact N-O 3.2Å; H243-V254 PolarHBondContact O-N 3.07Å; H243-P358 HydrophobicContact CB-CB 4.18Å; H243-P358 HydrophobicContact CB-CG 3.89Å; H243-P359 PolarHBondContact ND1-O 2.76Å; H243-P359 VanDerWaalsContact ND1-O 3.07Å; H243-F360 HydrophobicContact CB-CB 4.28Å; H243-F360 WeakPolarHBondContact CD2-CB 3.31Å
244R97.4Very high90.7Very high33 Ų3336.3 Ų36.313%0.12518%0.182CC..EExtended strand (participates in β ladder)trans-135.2134.3-176.6-169.4163.875.5-173.8-2.9111.1L110 Y111 D112 R113 R251 V252L110-R244 HydrophobicContact CD1-CB 4.11Å; Y111-R244 PolarHBondContact O-N 2.9Å; D112-R244 IonicContact OD1-NE 3.53Å; D112-R244 IonicContact OD2-CZ 3.2Å; D112-R244 VanDerWaalsContact OD2-CZ 3.28Å; D112-R244 IonicContact OD2-NE 3.26Å; D112-R244 PolarHBondContact OD2-NE 2.99Å; D112-R244 VanDerWaalsContact OD2-NE 3.13Å; D112-R244 IonicContact OD2-NH2 3.2Å; D112-R244 PolarHBondContact OD2-NH2 3.5Å; R113-R244 WeakPolarHBondContact CB-O 3.38Å; R113-R244 PolarHBondContact N-O 2.88Å; R244-R251 HydrophobicContact CG-CG 3.82Å; R244-V252 WeakPolarHBondContact CA-O 3.39Å
245E97.8Very high91.4Very high18 Ų1834.9 Ų34.98%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-149.9140.1173-174.5169.417700109.6R113 V252 R356 P358R113-E245 HydrophobicContact CB-CB 4Å; R113-E245 HydrophobicContact CB-CG 3.97Å; R113-E245 WeakPolarHBondContact CD-OE2 3.37Å; R113-E245 IonicContact NE-OE2 3.57Å; R113-E245 IonicContact NH1-OE2 2.65Å; E245-V252 PolarHBondContact N-O 3.11Å; E245-V252 VanDerWaalsContact N-O 3.11Å; E245-V252 PolarHBondContact O-N 3.07Å; E245-R356 WeakPolarHBondContact OE1-CD 3.45Å; E245-R356 IonicContact OE1-NH1 3.92Å; E245-P358 HydrophobicContact CB-CB 3.88Å; E245-P358 HydrophobicContact CB-CG 4.1Å
246T98.2Very high92.2Very high39 Ų3932.2 Ų32.224%0.23916%0.158CC..EExtended strand (participates in β ladder)trans-110127.4176.1-60.10000110.1D114 I250 R251 L281D114-T246 VanDerWaalsContact OD1-CB 3.32Å; D114-T246 WeakPolarHBondContact OD1-CB 3.49Å; D114-T246 PolarHBondContact OD1-N 2.92Å; D114-T246 PolarHBondContact OD1-OG1 3.14Å; D114-T246 WeakPolarHBondContact OD2-CB 3.27Å; D114-T246 PolarHBondContact OD2-N 2.91Å; D114-T246 PolarHBondContact OD2-OG1 2.64Å; T246-I250 WeakPolarHBondContact CA-O 3.33Å; T246-R251 HydrophobicContact CG2-CB 4.45Å; T246-R251 WeakPolarHBondContact OG1-CB 3.45Å; T246-R251 WeakPolarHBondContact OG1-CG 3.16Å; T246-L281 HydrophobicContact CG2-CD1 4.3Å
247T98.3Very high93Very high25 Ų2531.2 Ų31.215%0.15316%0.155CC..EExtended strand (participates in β ladder)trans-125.3122.4171.6-53.90000108.5N249 I250 D354 R356T247-N249 VanDerWaalsContact C-N 3.34Å; T247-N249 PolarHBondContact O-N 3.11Å; T247-I250 PolarHBondContact N-O 2.86Å; T247-I250 PolarHBondContact O-N 3.08Å; T247-D354 WeakPolarHBondContact CG2-O 3.21Å; T247-R356 PolarHBondContact OG1-N 2.81Å
248E96.7Very high93.6Very high108 Ų10831.8 Ų31.851%0.50516%0.157SC..THydrogen-bonded Turntrans50.449.8178.6-61.3-159-13100113.9I250 R347 F353E248-I250 PolarHBondContact O-N 3.34Å; E248-I250 VanDerWaalsContact O-N 3.11Å; E248-R347 IonicContact OE1-NH2 3.22Å; E248-R347 IonicContact OE2-CZ 3.05Å; E248-R347 IonicContact OE2-NH2 3.26Å; E248-R347 PolarHBondContact OE2-NH2 2.89Å; E248-F353 HydrophobicContact CB-CD2 3.79Å; E248-F353 HydrophobicContact CB-CE2 3.55Å; E248-F353 HydrophobicContact CB-CZ 4.25Å; E248-F353 HydrophobicContact CG-CD2 4.01Å; E248-F353 HydrophobicContact CG-CE2 4.3Å; E248-F353 VanDerWaalsContact OE1-CB 3.26Å; E248-F353 WeakPolarHBondContact OE1-CB 3.26Å
249N97.4Very high94.1Very high95 Ų9526.4 Ų26.451%0.50813%0.132SC..THydrogen-bonded Turntrans63.94.1-176.5-53.4-49.9000115.6T247 L281T247-N249 VanDerWaalsContact C-N 3.34Å; T247-N249 PolarHBondContact O-N 3.11Å; N249-L281 HydrophobicContact CB-CB 4.33Å; N249-L281 WeakPolarHBondContact O-CB 3.39Å; N249-L281 PolarHBondContact O-N 2.71Å
250I98.3Very high94.6Very high1 Ų123.4 Ų23.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-97.2111.6171.1-50-53.7000108.6T246 T247 E248 L278 E279 N280 V286 F353 V355T246-I250 WeakPolarHBondContact CA-O 3.33Å; T247-I250 PolarHBondContact N-O 2.86Å; T247-I250 PolarHBondContact O-N 3.08Å; E248-I250 PolarHBondContact O-N 3.34Å; E248-I250 VanDerWaalsContact O-N 3.11Å; I250-L278 HydrophobicContact CG2-CD2 4.45Å; I250-E279 CarbonylContact C-O 3.5Å; I250-E279 WeakPolarHBondContact CA-O 3.38Å; I250-N280 HydrophobicContact CD1-CB 3.81Å; I250-V286 HydrophobicContact CD1-CG2 3.72Å; I250-F353 HydrophobicContact CG1-CE2 4.02Å; I250-F353 HydrophobicContact CG1-CZ 3.92Å; I250-V355 HydrophobicContact CB-CG1 4.03Å; I250-V355 HydrophobicContact CB-CG2 3.65Å; I250-V355 HydrophobicContact CG1-CG2 3.92Å; I250-V355 HydrophobicContact CG2-CG1 3.91Å; I250-V355 HydrophobicContact CG2-CG2 4.01Å
251R98.5Very high94.7Very high50 Ų5025.5 Ų25.519%0.18913%0.126CC..EExtended strand (participates in β ladder)trans-91.6128.5177.6-172.5165.172.2-167.8-2.7110R244 T246 L278 E279 L281R244-R251 HydrophobicContact CG-CG 3.82Å; T246-R251 HydrophobicContact CG2-CB 4.45Å; T246-R251 WeakPolarHBondContact OG1-CB 3.45Å; T246-R251 WeakPolarHBondContact OG1-CG 3.16Å; R251-L278 CarbonylContact O-C 3.55Å; R251-L278 WeakPolarHBondContact O-CA 3.48Å; R251-E279 HydrophobicContact CB-CB 4.3Å; R251-E279 IonicContact CZ-OE1 2.65Å; R251-E279 IonicContact CZ-OE2 3.28Å; R251-E279 VanDerWaalsContact CZ-OE2 3.3Å; R251-E279 PolarHBondContact N-O 2.99Å; R251-E279 IonicContact NE-OE2 3.64Å; R251-E279 PolarHBondContact NE-OE2 3.29Å; R251-E279 IonicContact NH2-OE1 3.69Å; R251-E279 PolarHBondContact NH2-OE1 2.95Å; R251-E279 IonicContact NH2-OE2 3.13Å; R251-E279 PolarHBondContact NH2-OE2 2.89Å; R251-E279 PolarHBondContact O-N 2.79Å; R251-L281 HydrophobicContact CB-CD1 4.06Å; R251-L281 HydrophobicContact CB-CG 4.34Å
252V98.6Very high94.3Very high0 Ų026.1 Ų26.10%013%0.126CC..EExtended strand (participates in β ladder)trans-111.5121.8174.3179.10000108.3R244 E245 V254 I276 R277 L278 F343 V355 I357R244-V252 WeakPolarHBondContact CA-O 3.39Å; E245-V252 PolarHBondContact N-O 3.11Å; E245-V252 VanDerWaalsContact N-O 3.11Å; E245-V252 PolarHBondContact O-N 3.07Å; V252-V254 HydrophobicContact CG1-CG2 3.95Å; V252-I276 HydrophobicContact CG1-CG2 4.11Å; V252-R277 WeakPolarHBondContact CA-O 3.3Å; V252-L278 HydrophobicContact CG2-CD2 4.49Å; V252-F343 HydrophobicContact CG1-CE2 4.31Å; V252-F343 HydrophobicContact CG2-CD2 4.22Å; V252-F343 HydrophobicContact CG2-CE2 4.31Å; V252-V355 HydrophobicContact CG2-CG1 3.52Å; V252-I357 HydrophobicContact CG1-CG2 4.26Å
253T98.1Very high93.7Very high17 Ų1733.6 Ų33.610%0.10416%0.161CC..EExtended strand (participates in β ladder)trans-111.6130.8171.1-57.70000109.1V242 H243 I276 R277V242-T253 HydrophobicContact CG1-CG2 3.6Å; H243-T253 CarbonylContact O-C 3.55Å; H243-T253 WeakPolarHBondContact O-CA 3.31Å; T253-I276 WeakPolarHBondContact O-CA 3.45Å; T253-R277 PolarHBondContact N-O 3.09Å; T253-R277 PolarHBondContact O-N 3.35Å
254V97.6Very high92.7Very high0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-124.1134.2-179.3-166.90000110.5V242 H243 V252 C275 I276 I357 P358 F360V242-V254 WeakPolarHBondContact CA-O 3.33Å; H243-V254 PolarHBondContact N-O 3.2Å; H243-V254 PolarHBondContact O-N 3.07Å; V252-V254 HydrophobicContact CG1-CG2 3.95Å; V254-C275 WeakPolarHBondContact CA-O 3.39Å; V254-I276 HydrophobicContact CB-CG1 4.43Å; V254-I276 HydrophobicContact CG1-CG1 3.95Å; V254-I276 HydrophobicContact CG2-CG1 4.13Å; V254-I357 HydrophobicContact CG2-CG2 3.83Å; V254-P358 HydrophobicContact CG2-CG 4.14Å; V254-F360 HydrophobicContact CB-CD1 4.2Å; V254-F360 HydrophobicContact CB-CE1 4.49Å; V254-F360 HydrophobicContact CG1-CD1 3.68Å; V254-F360 HydrophobicContact CG1-CD2 4.32Å; V254-F360 HydrophobicContact CG1-CE1 3.64Å; V254-F360 HydrophobicContact CG1-CE2 4.27Å; V254-F360 HydrophobicContact CG1-CG 4.02Å; V254-F360 HydrophobicContact CG1-CZ 3.94Å; V254-F360 HydrophobicContact CG2-CD1 4.38Å
255I95.4Very high91.5Very high11 Ų1142.7 Ų42.76%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-129.5108.3171.9-43.7-175.8000108.6Y142 V242 F257 Y274 C275Y142-I255 HydrophobicContact CD1-CD1 4.35Å; Y142-I255 HydrophobicContact CE1-CD1 4.08Å; V242-I255 HydrophobicContact CB-CG1 4.44Å; V242-I255 HydrophobicContact CG1-CD1 4.46Å; V242-I255 HydrophobicContact CG1-CG1 4.01Å; V242-I255 HydrophobicContact CG2-CD1 3.96Å; V242-I255 HydrophobicContact CG2-CG1 3.87Å; V242-I255 HydrophobicContact CG2-CG2 4.25Å; I255-F257 HydrophobicContact CB-CE2 3.79Å; I255-F257 HydrophobicContact CB-CZ 3.9Å; I255-F257 HydrophobicContact CG2-CD2 4.37Å; I255-F257 HydrophobicContact CG2-CE1 3.86Å; I255-F257 HydrophobicContact CG2-CE2 3.65Å; I255-F257 HydrophobicContact CG2-CZ 3.36Å; I255-F257 WeakPolarHBondContact O-CD2 3.33Å; I255-F257 VanDerWaalsContact O-CE2 3.32Å; I255-F257 WeakPolarHBondContact O-CE2 3.34Å; I255-Y274 CarbonylContact O-C 3.5Å; I255-Y274 VanDerWaalsContact O-CA 3.31Å; I255-Y274 WeakPolarHBondContact O-CA 3.32Å; I255-C275 HydrophobicContact CB-CB 4.49Å; I255-C275 PolarHBondContact N-O 2.8Å; I255-C275 PolarHBondContact O-N 3.23Å
256P94.8Very high90.5Very high6 Ų650.5 Ų50.54%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-80.6143.9170.733.7-28.8000110.4S240 D241 R273 F360 S361 L362S240-P256 WeakPolarHBondContact CA-O 3.31Å; S240-P256 WeakPolarHBondContact CB-O 3.19Å; S240-P256 PolarHBondContact OG-O 2.82Å; S240-P256 VanDerWaalsContact OG-O 3.08Å; D241-P256 WeakPolarHBondContact O-CD 3.08Å; P256-R273 CarbonylContact C-O 3.44Å; P256-R273 WeakPolarHBondContact CA-O 3.34Å; P256-F360 HydrophobicContact CB-CD2 3.89Å; P256-F360 HydrophobicContact CB-CE2 4.17Å; P256-F360 HydrophobicContact CG-CD2 3.98Å; P256-S361 WeakPolarHBondContact CG-O 3.31Å; P256-L362 HydrophobicContact CB-CD2 4.09Å
257F89.9Confident89.8Confident9 Ų950.5 Ų50.54%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-131.1117.3177.8-59.8-86.9000108Y184 L237 S240 I255 M259 W272 R273 C275Y184-F257 AromaticContact CD2-CE1 3.8Å; Y184-F257 HydrophobicContact CD2-CE1 3.8Å; Y184-F257 AromaticContact CD2-CE2 3.97Å; Y184-F257 HydrophobicContact CD2-CE2 3.97Å; Y184-F257 AromaticContact CD2-CZ 3.32Å; Y184-F257 HydrophobicContact CD2-CZ 3.32Å; Y184-F257 HydrophobicContact CE1-CE1 4.42Å; Y184-F257 HydrophobicContact CE2-CD1 4.26Å; Y184-F257 AromaticContact CE2-CE1 3.66Å; Y184-F257 HydrophobicContact CE2-CE1 3.66Å; Y184-F257 HydrophobicContact CE2-CE2 4.17Å; Y184-F257 AromaticContact CE2-CZ 3.6Å; Y184-F257 HydrophobicContact CE2-CZ 3.6Å; Y184-F257 HydrophobicContact CG-CE1 4.27Å; Y184-F257 AromaticContact CG-CZ 3.91Å; Y184-F257 HydrophobicContact CG-CZ 3.91Å; Y184-F257 AromaticContact CZ-CE1 3.95Å; L237-F257 HydrophobicContact CD2-CD1 4.01Å; L237-F257 HydrophobicContact CD2-CE1 3.78Å; S240-F257 VanDerWaalsContact OG-CD1 3.3Å; S240-F257 WeakPolarHBondContact OG-CD1 3.44Å; I255-F257 HydrophobicContact CB-CE2 3.79Å; I255-F257 HydrophobicContact CB-CZ 3.9Å; I255-F257 HydrophobicContact CG2-CD2 4.37Å; I255-F257 HydrophobicContact CG2-CE1 3.86Å; I255-F257 HydrophobicContact CG2-CE2 3.65Å; I255-F257 HydrophobicContact CG2-CZ 3.36Å; I255-F257 WeakPolarHBondContact O-CD2 3.33Å; I255-F257 VanDerWaalsContact O-CE2 3.32Å; I255-F257 WeakPolarHBondContact O-CE2 3.34Å; F257-M259 PolarHBondContact O-N 2.74Å; F257-W272 CarbonylContact O-C 3.55Å; F257-W272 VanDerWaalsContact O-CA 3.23Å; F257-W272 WeakPolarHBondContact O-CA 3.26Å; F257-R273 VanDerWaalsContact CD2-CZ 3.44Å; F257-R273 VanDerWaalsContact CD2-NH1 3.3Å; F257-R273 VanDerWaalsContact CE2-NH1 3.33Å; F257-R273 PolarHBondContact N-O 2.81Å; F257-R273 PolarHBondContact O-N 2.85Å; F257-C275 HydrophobicContact CE2-CB 3.93Å
258Y89.1Confident89.2Confident17 Ų1753 Ų537%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-67.3127.9172.7179.5-119000110W236 G260 M261 Y270 W271 W272W236-Y258 AromaticContact CE3-CD1 3.68Å; W236-Y258 HydrophobicContact CE3-CD1 3.68Å; W236-Y258 HydrophobicContact CE3-CE1 4.27Å; W236-Y258 HydrophobicContact CH2-CE1 4.36Å; W236-Y258 AromaticContact CZ3-CD1 3.41Å; W236-Y258 HydrophobicContact CZ3-CD1 3.41Å; W236-Y258 VanDerWaalsContact CZ3-CD1 3.41Å; W236-Y258 AromaticContact CZ3-CE1 3.56Å; W236-Y258 HydrophobicContact CZ3-CE1 3.56Å; Y258-G260 VanDerWaalsContact CE2-O 3.22Å; Y258-G260 WeakPolarHBondContact CE2-O 3.48Å; Y258-G260 WeakPolarHBondContact OH-CA 3.13Å; Y258-G260 PolarHBondContact OH-O 3.23Å; Y258-M261 WeakPolarHBondContact OH-CB 3.5Å; Y258-M261 PolarHBondContact OH-N 2.87Å; Y258-Y270 HydrophobicContact CE2-CD1 4.1Å; Y258-W271 WeakPolarHBondContact CD2-O 3.39Å; Y258-W272 VanDerWaalsContact CA-CD1 3.41Å; Y258-W272 AromaticContact CD2-CD1 3.94Å; Y258-W272 HydrophobicContact CD2-CD2 4.1Å; Y258-W272 AromaticContact CD2-CE2 3.55Å; Y258-W272 HydrophobicContact CD2-CG 4.31Å; Y258-W272 AromaticContact CD2-CZ2 3.94Å; Y258-W272 HydrophobicContact CD2-CZ2 3.94Å; Y258-W272 AromaticContact CD2-NE1 3.42Å; Y258-W272 HydrophobicContact CE2-CZ2 4.18Å; Y258-W272 AromaticContact CG-NE1 3.95Å
259M85.7Confident88.9Confident7 Ų749 Ų493%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-105.4-11.5-177-61.9175.86800112.9T165 L167 L176 F257 W271 R273 P371T165-M259 VanDerWaalsContact OG1-CE 3.25Å; T165-M259 WeakPolarHBondContact OG1-CE 3.46Å; L167-M259 HydrophobicContact CB-CB 4.33Å; L167-M259 WeakPolarHBondContact CB-O 3.29Å; L176-M259 HydrophobicContact CD1-CE 4.48Å; L176-M259 HydrophobicContact CD2-CE 3.65Å; F257-M259 PolarHBondContact O-N 2.74Å; M259-W271 HydrophobicContact CB-CB 4.09Å; M259-W271 WeakPolarHBondContact CB-O 3.37Å; M259-W271 PolarHBondContact N-O 3.41Å; M259-R273 HydrophobicContact CG-CB 4.06Å; M259-R273 HydrophobicContact SD-CB 3.64Å; M259-R273 PolarHBondContact SD-N 2.86Å; M259-R273 VanDerWaalsContact SD-N 3.36Å; M259-P371 VanDerWaalsContact C-CG 3.43Å; M259-P371 WeakPolarHBondContact O-CG 3.43Å
260G84.9Confident88.5Confident0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans124.6-173.8-179.300000115.5Y258 Y270 W271 P371Y258-G260 VanDerWaalsContact CE2-O 3.22Å; Y258-G260 WeakPolarHBondContact CE2-O 3.48Å; Y258-G260 WeakPolarHBondContact OH-CA 3.13Å; Y258-G260 PolarHBondContact OH-O 3.23Å; G260-Y270 CarbonylContact O-C 3.58Å; G260-Y270 WeakPolarHBondContact O-CA 3.29Å; G260-W271 PolarHBondContact O-N 2.98Å; G260-P371 VanDerWaalsContact CA-CD 3.49Å
261M86.8Confident88.2Confident44 Ų4448.4 Ų48.422%0.21724%0.239CC..EExtended strand (participates in β ladder)trans-131.1146.6177.8177.2-94-78.300109.8Y258 E263 H268 V269 Y270Y258-M261 WeakPolarHBondContact OH-CB 3.5Å; Y258-M261 PolarHBondContact OH-N 2.87Å; M261-E263 HydrophobicContact SD-CG 4.46Å; M261-H268 HydrophobicContact CE-CB 4.29Å; M261-H268 WeakPolarHBondContact CE-ND1 3.48Å; M261-H268 HydrophobicContact CG-CB 3.83Å; M261-H268 HydrophobicContact SD-CB 3.79Å; M261-H268 PolarHBondContact SD-ND1 3.14Å; M261-V269 CarbonylContact C-O 3.56Å; M261-V269 VanDerWaalsContact CA-O 3.3Å; M261-V269 WeakPolarHBondContact CA-O 3.48Å; M261-Y270 HydrophobicContact CB-CD1 3.71Å; M261-Y270 HydrophobicContact CB-CE1 3.88Å; M261-Y270 HydrophobicContact CB-CG 4.2Å; M261-Y270 HydrophobicContact CG-CD1 3.85Å; M261-Y270 HydrophobicContact CG-CD2 4.22Å; M261-Y270 HydrophobicContact CG-CE1 3.74Å; M261-Y270 HydrophobicContact CG-CE2 4.13Å; M261-Y270 HydrophobicContact CG-CG 4.07Å
262R83.9Confident87.8Confident52 Ų5246.2 Ų46.220%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-124.6143.5172.3-78.5172.6177.2169.7-1109.5L167 A168 S173 A175 V269L167-R262 HydrophobicContact CD2-CG 3.9Å; L167-R262 HydrophobicContact CG-CG 4.37Å; A168-R262 PolarHBondContact O-NE 3.33Å; A168-R262 PolarHBondContact O-NH2 2.81Å; S173-R262 PolarHBondContact O-NH2 2.88Å; A175-R262 PolarHBondContact O-NH2 2.99Å; R262-V269 PolarHBondContact N-O 3.31Å; R262-V269 PolarHBondContact O-N 3.11Å
263E82.5Confident87.5Confident157 Ų15746.4 Ų46.473%0.73423%0.231SC*.EExtended strand (participates in β ladder)trans-78.5135.7167.5-61.1-167.5164.200109.9M261 S267 H268M261-E263 HydrophobicContact SD-CG 4.46Å; E263-S267 CarbonylContact C-O 3.55Å; E263-S267 WeakPolarHBondContact CA-O 3.38Å; E263-H268 IonicContact OE1-CE1 3Å; E263-H268 PolarHBondContact OE1-CE1 2.92Å
264A76.5Confident87.3Confident41 Ų4146.3 Ų46.334%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-142.4110.6175.800000108.8N266 S267 V269A264-N266 PolarHBondContact O-N 3.24Å; A264-S267 PolarHBondContact N-O 3.44Å; A264-S267 PolarHBondContact O-N 3.19Å; A264-S267 PolarHBondContact O-OG 3.21Å; A264-V269 HydrophobicContact CB-CG2 4.08Å
265Q73.3Confident87.1Confident200 Ų20046.6 Ų46.694%0.93523%0.231SC*.THydrogen-bonded Turntrans48.154.2172-61.3177.9-2100113.1S267Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.98Å
266N76.1Confident87.2Confident181 Ų18146.1 Ų46.197%0.96823%0.228SC*.THydrogen-bonded Turntrans63.622.2-176.7-58.6-2.4000115.4A264A264-N266 PolarHBondContact O-N 3.24Å
267S82.6Confident87.3Confident39 Ų3946.8 Ų46.827%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-129.8156.4171.171.70000110.8E263 A264 Q265E263-S267 CarbonylContact C-O 3.55Å; E263-S267 WeakPolarHBondContact CA-O 3.38Å; A264-S267 PolarHBondContact N-O 3.44Å; A264-S267 PolarHBondContact O-N 3.19Å; A264-S267 PolarHBondContact O-OG 3.21Å; Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.98Å
268H87.4Confident87.7Confident77 Ų7746.4 Ų46.436%0.35623%0.228SC..EExtended strand (participates in β ladder)trans-100.8130.5175.6-61.9-67.5000110M261 E263 Y270M261-H268 HydrophobicContact CE-CB 4.29Å; M261-H268 WeakPolarHBondContact CE-ND1 3.48Å; M261-H268 HydrophobicContact CG-CB 3.83Å; M261-H268 HydrophobicContact SD-CB 3.79Å; M261-H268 PolarHBondContact SD-ND1 3.14Å; E263-H268 IonicContact OE1-CE1 3Å; E263-H268 PolarHBondContact OE1-CE1 2.92Å; H268-Y270 HydrophobicContact CB-CD2 4.35Å; H268-Y270 HydrophobicContact CB-CE2 3.55Å
269V89.2Confident88.1Confident24 Ų2446.4 Ų46.415%0.14523%0.229CC..EExtended strand (participates in β ladder)trans-114.1115.7174.4-175.30000108.7M261 R262 A264 W271M261-V269 CarbonylContact C-O 3.56Å; M261-V269 VanDerWaalsContact CA-O 3.3Å; M261-V269 WeakPolarHBondContact CA-O 3.48Å; R262-V269 PolarHBondContact N-O 3.31Å; R262-V269 PolarHBondContact O-N 3.11Å; A264-V269 HydrophobicContact CB-CG2 4.08Å; V269-W271 HydrophobicContact CG1-CZ2 4.44Å
270Y90.1Very high88.7Confident19 Ų1946.7 Ų46.78%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-95.6140.7-179.2-60.4-101.4000109.5Y258 G260 M261 H268 W272 S331 L332 A334 P335Y258-Y270 HydrophobicContact CE2-CD1 4.1Å; G260-Y270 CarbonylContact O-C 3.58Å; G260-Y270 WeakPolarHBondContact O-CA 3.29Å; M261-Y270 HydrophobicContact CB-CD1 3.71Å; M261-Y270 HydrophobicContact CB-CE1 3.88Å; M261-Y270 HydrophobicContact CB-CG 4.2Å; M261-Y270 HydrophobicContact CG-CD1 3.85Å; M261-Y270 HydrophobicContact CG-CD2 4.22Å; M261-Y270 HydrophobicContact CG-CE1 3.74Å; M261-Y270 HydrophobicContact CG-CE2 4.13Å; M261-Y270 HydrophobicContact CG-CG 4.07Å; H268-Y270 HydrophobicContact CB-CD2 4.35Å; H268-Y270 HydrophobicContact CB-CE2 3.55Å; Y270-W272 HydrophobicContact CG-CH2 4.08Å; Y270-W272 WeakPolarHBondContact O-CZ3 3.18Å; Y270-S331 CarbonylContact O-C 3.53Å; Y270-S331 WeakPolarHBondContact O-CA 3.48Å; Y270-S331 WeakPolarHBondContact O-CB 3.36Å; Y270-L332 PolarHBondContact N-O 2.88Å; Y270-L332 PolarHBondContact O-N 2.61Å; Y270-A334 VanDerWaalsContact CD2-C 3.42Å; Y270-A334 VanDerWaalsContact CD2-O 3.23Å; Y270-A334 WeakPolarHBondContact CD2-O 3.49Å; Y270-P335 HydrophobicContact CD1-CB 4.38Å; Y270-P335 HydrophobicContact CE1-CB 3.86Å; Y270-P335 HydrophobicContact CE2-CB 4.29Å
271W90.4Very high89.3Confident66 Ų6651 Ų5125%0.2525%0.253CS..EExtended strand (participates in β ladder)trans-123.1137-174.7-69.980.3000111L167 Y258 M259 G260 V269L167-W271 HydrophobicContact CD1-CB 4.38Å; L167-W271 HydrophobicContact CD1-CD2 4.35Å; L167-W271 HydrophobicContact CD1-CG 3.99Å; L167-W271 HydrophobicContact CD2-CB 4.4Å; L167-W271 HydrophobicContact CD2-CG 4.34Å; Y258-W271 WeakPolarHBondContact CD2-O 3.39Å; M259-W271 HydrophobicContact CB-CB 4.09Å; M259-W271 WeakPolarHBondContact CB-O 3.37Å; M259-W271 PolarHBondContact N-O 3.41Å; G260-W271 PolarHBondContact O-N 2.98Å; V269-W271 HydrophobicContact CG1-CZ2 4.44Å
272W91.6Very high89.7Confident3 Ų349.9 Ų49.91%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-130.3143.3170.3-63.4-104.1000109.9F257 Y258 Y270 H329 V330 L332 P335 L362 E363F257-W272 CarbonylContact O-C 3.55Å; F257-W272 VanDerWaalsContact O-CA 3.23Å; F257-W272 WeakPolarHBondContact O-CA 3.26Å; Y258-W272 VanDerWaalsContact CA-CD1 3.41Å; Y258-W272 AromaticContact CD2-CD1 3.94Å; Y258-W272 HydrophobicContact CD2-CD2 4.1Å; Y258-W272 AromaticContact CD2-CE2 3.55Å; Y258-W272 HydrophobicContact CD2-CG 4.31Å; Y258-W272 AromaticContact CD2-CZ2 3.94Å; Y258-W272 HydrophobicContact CD2-CZ2 3.94Å; Y258-W272 AromaticContact CD2-NE1 3.42Å; Y258-W272 HydrophobicContact CE2-CZ2 4.18Å; Y258-W272 AromaticContact CG-NE1 3.95Å; Y270-W272 HydrophobicContact CG-CH2 4.08Å; Y270-W272 WeakPolarHBondContact O-CZ3 3.18Å; W272-H329 CarbonylContact O-C 3.57Å; W272-H329 VanDerWaalsContact O-CA 3.23Å; W272-H329 WeakPolarHBondContact O-CA 3.41Å; W272-V330 HydrophobicContact CB-CG1 3.94Å; W272-V330 HydrophobicContact CE3-CG1 4.48Å; W272-V330 PolarHBondContact N-O 3.29Å; W272-V330 PolarHBondContact O-N 3.46Å; W272-L332 HydrophobicContact CE3-CG 4.49Å; W272-L332 HydrophobicContact CH2-CB 4.38Å; W272-L332 HydrophobicContact CH2-CD1 4.16Å; W272-L332 HydrophobicContact CH2-CG 4.5Å; W272-L332 HydrophobicContact CZ3-CB 3.83Å; W272-L332 HydrophobicContact CZ3-CD1 3.89Å; W272-L332 HydrophobicContact CZ3-CG 3.81Å; W272-P335 WeakPolarHBondContact CZ2-O 3.46Å; W272-L362 HydrophobicContact CB-CD2 3.87Å; W272-L362 HydrophobicContact CD2-CB 3.94Å; W272-L362 HydrophobicContact CD2-CD1 4.49Å; W272-L362 HydrophobicContact CD2-CD2 4.16Å; W272-L362 HydrophobicContact CD2-CG 4.43Å; W272-L362 HydrophobicContact CE3-CB 4.38Å; W272-L362 HydrophobicContact CE3-CD1 4.35Å; W272-L362 HydrophobicContact CG-CB 4.31Å; W272-L362 HydrophobicContact CG-CD2 3.74Å; W272-L362 HydrophobicContact CH2-CB 4.45Å; W272-L362 HydrophobicContact CZ2-CB 4.04Å; W272-E363 PolarHBondContact NE1-O 2.84Å
273R92Very high90.2Very high4 Ų450.3 Ų50.32%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-94.5146.9160.1178.9176.245.579.717.4107.5A163 T165 P256 F257 M259 S328A163-R273 VanDerWaalsContact O-CD 3.29Å; A163-R273 WeakPolarHBondContact O-CD 3.46Å; A163-R273 PolarHBondContact O-NE 3.21Å; A163-R273 VanDerWaalsContact O-NE 3.14Å; A163-R273 PolarHBondContact O-NH1 2.82Å; T165-R273 WeakPolarHBondContact OG1-CD 3.28Å; T165-R273 PolarHBondContact OG1-NE 2.83Å; P256-R273 CarbonylContact C-O 3.44Å; P256-R273 WeakPolarHBondContact CA-O 3.34Å; F257-R273 VanDerWaalsContact CD2-CZ 3.44Å; F257-R273 VanDerWaalsContact CD2-NH1 3.3Å; F257-R273 VanDerWaalsContact CE2-NH1 3.33Å; F257-R273 PolarHBondContact N-O 2.81Å; F257-R273 PolarHBondContact O-N 2.85Å; M259-R273 HydrophobicContact CG-CB 4.06Å; M259-R273 HydrophobicContact SD-CB 3.64Å; M259-R273 PolarHBondContact SD-N 2.86Å; M259-R273 VanDerWaalsContact SD-N 3.36Å; R273-S328 CarbonylContact C-O 3.54Å; R273-S328 VanDerWaalsContact CA-O 3.26Å; R273-S328 WeakPolarHBondContact CA-O 3.43Å; R273-S328 WeakPolarHBondContact CG-O 3.43Å
274Y93.4Very high90.8Very high16 Ų1648.3 Ų48.36%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-124.7136.7165.451.9-95.8000110.1I255 I276 W293 Y326 S327 S328 V330 M339I255-Y274 CarbonylContact O-C 3.5Å; I255-Y274 VanDerWaalsContact O-CA 3.31Å; I255-Y274 WeakPolarHBondContact O-CA 3.32Å; Y274-I276 HydrophobicContact CD2-CD1 3.49Å; Y274-I276 VanDerWaalsContact CD2-CD1 3.49Å; Y274-I276 HydrophobicContact CD2-CG1 3.88Å; Y274-I276 HydrophobicContact CE2-CD1 3.66Å; Y274-I276 HydrophobicContact CE2-CG1 4.46Å; Y274-W293 HydrophobicContact CE2-CZ2 4.21Å; Y274-Y326 HydrophobicContact CE2-CE2 4.11Å; Y274-S327 VanDerWaalsContact O-CA 3.29Å; Y274-S327 WeakPolarHBondContact O-CA 3.2Å; Y274-S328 PolarHBondContact N-O 2.89Å; Y274-S328 PolarHBondContact O-N 2.83Å; Y274-S328 VanDerWaalsContact O-N 3.07Å; Y274-S328 WeakPolarHBondContact OH-CB 3.44Å; Y274-V330 HydrophobicContact CD1-CG1 4.36Å; Y274-V330 HydrophobicContact CE1-CB 4.28Å; Y274-V330 HydrophobicContact CE1-CG1 4.45Å; Y274-M339 HydrophobicContact CE1-CE 4.23Å
275C94.2Very high91.8Very high6 Ų648.9 Ų48.94%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-96127.3167.7-176.40000108.3V254 I255 F257V254-C275 WeakPolarHBondContact CA-O 3.39Å; I255-C275 HydrophobicContact CB-CB 4.49Å; I255-C275 PolarHBondContact N-O 2.8Å; I255-C275 PolarHBondContact O-N 3.23Å; F257-C275 HydrophobicContact CE2-CB 3.93Å
276I96.8Very high93Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-121.6126.9175.8-68.4170000108.8V252 T253 V254 Y274 L278 W293 Q325 Y326 F343V252-I276 HydrophobicContact CG1-CG2 4.11Å; T253-I276 WeakPolarHBondContact O-CA 3.45Å; V254-I276 HydrophobicContact CB-CG1 4.43Å; V254-I276 HydrophobicContact CG1-CG1 3.95Å; V254-I276 HydrophobicContact CG2-CG1 4.13Å; Y274-I276 HydrophobicContact CD2-CD1 3.49Å; Y274-I276 VanDerWaalsContact CD2-CD1 3.49Å; Y274-I276 HydrophobicContact CD2-CG1 3.88Å; Y274-I276 HydrophobicContact CE2-CD1 3.66Å; Y274-I276 HydrophobicContact CE2-CG1 4.46Å; I276-L278 HydrophobicContact CG2-CD1 4.09Å; I276-W293 HydrophobicContact CD1-CH2 3.46Å; I276-W293 VanDerWaalsContact CD1-CH2 3.46Å; I276-W293 HydrophobicContact CD1-CZ2 3.49Å; I276-W293 VanDerWaalsContact CD1-CZ2 3.49Å; I276-Q325 WeakPolarHBondContact O-CA 3.32Å; I276-Y326 HydrophobicContact CB-CD1 4.16Å; I276-Y326 HydrophobicContact CB-CE1 3.67Å; I276-Y326 HydrophobicContact CD1-CE1 4.39Å; I276-Y326 HydrophobicContact CD1-CE2 4.5Å; I276-Y326 WeakPolarHBondContact CD1-OH 3.07Å; I276-Y326 HydrophobicContact CG2-CD1 4.4Å; I276-Y326 HydrophobicContact CG2-CE1 3.71Å; I276-Y326 PolarHBondContact N-O 2.97Å; I276-Y326 PolarHBondContact O-N 2.97Å; I276-F343 HydrophobicContact CD1-CZ 4.43Å; I276-F343 HydrophobicContact CG2-CE2 4.13Å; I276-F343 HydrophobicContact CG2-CZ 4.17Å
277R97.6Very high94.1Very high21 Ų2133.2 Ų33.28%0.07918%0.176CC..EExtended strand (participates in β ladder)trans-110.6125.8169.8-171.9-174.4-67.1-176.6-0.1109.1H93 D189 V252 T253 E279 F324 Q325H93-R277 PolarHBondContact NE2-NH2 3.41Å; D189-R277 VanDerWaalsContact CG-NH1 3.26Å; D189-R277 IonicContact OD1-CZ 3.05Å; D189-R277 IonicContact OD1-NH1 2.94Å; D189-R277 PolarHBondContact OD1-NH1 3.3Å; D189-R277 IonicContact OD1-NH2 3.45Å; D189-R277 IonicContact OD2-CZ 3.14Å; D189-R277 IonicContact OD2-NH1 3.24Å; D189-R277 PolarHBondContact OD2-NH1 3.01Å; D189-R277 IonicContact OD2-NH2 3.5Å; D189-R277 PolarHBondContact OD2-NH2 3.17Å; V252-R277 WeakPolarHBondContact CA-O 3.3Å; T253-R277 PolarHBondContact N-O 3.09Å; T253-R277 PolarHBondContact O-N 3.35Å; R277-E279 HydrophobicContact CG-CG 3.92Å; R277-F324 WeakPolarHBondContact CA-O 3.41Å; R277-Q325 HydrophobicContact CB-CG 4.49Å; R277-Q325 HydrophobicContact CG-CB 4.44Å; R277-Q325 VanDerWaalsContact NH2-OE1 3.17Å
278L98.1Very high94.9Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-101.6133.1166.5-63.4102.7000108.8I250 R251 V252 I276 L288 L317 A323 F324 Y326 F343I250-L278 HydrophobicContact CG2-CD2 4.45Å; R251-L278 CarbonylContact O-C 3.55Å; R251-L278 WeakPolarHBondContact O-CA 3.48Å; V252-L278 HydrophobicContact CG2-CD2 4.49Å; I276-L278 HydrophobicContact CG2-CD1 4.09Å; L278-L288 HydrophobicContact CD1-CD1 4.21Å; L278-L288 HydrophobicContact CD2-CD1 3.77Å; L278-L317 HydrophobicContact CB-CD1 4.05Å; L278-A323 CarbonylContact O-C 3.51Å; L278-A323 WeakPolarHBondContact O-CA 3.36Å; L278-A323 WeakPolarHBondContact O-CB 3.46Å; L278-F324 HydrophobicContact CD1-CD1 4.13Å; L278-F324 PolarHBondContact N-O 2.84Å; L278-F324 PolarHBondContact O-N 2.99Å; L278-Y326 HydrophobicContact CD1-CD1 4.37Å; L278-Y326 HydrophobicContact CD1-CE1 4.09Å; L278-F343 HydrophobicContact CD1-CE2 4.29Å; L278-F343 HydrophobicContact CD2-CD2 3.65Å; L278-F343 HydrophobicContact CD2-CE2 3.9Å; L278-F343 HydrophobicContact CD2-CG 4.33Å; L278-F343 HydrophobicContact CG-CD2 4.45Å; L278-F343 HydrophobicContact CG-CE2 4.22Å
279E97.9Very high95.4Very high18 Ų1830.7 Ų30.78%0.08416%0.157CC..EExtended strand (participates in β ladder)trans-130.6128.5176.9-58.7168.696.300109.4I250 R251 R277 L281 P322 A323I250-E279 CarbonylContact C-O 3.5Å; I250-E279 WeakPolarHBondContact CA-O 3.38Å; R251-E279 HydrophobicContact CB-CB 4.3Å; R251-E279 IonicContact CZ-OE1 2.65Å; R251-E279 IonicContact CZ-OE2 3.28Å; R251-E279 VanDerWaalsContact CZ-OE2 3.3Å; R251-E279 PolarHBondContact N-O 2.99Å; R251-E279 IonicContact NE-OE2 3.64Å; R251-E279 PolarHBondContact NE-OE2 3.29Å; R251-E279 IonicContact NH2-OE1 3.69Å; R251-E279 PolarHBondContact NH2-OE1 2.95Å; R251-E279 IonicContact NH2-OE2 3.13Å; R251-E279 PolarHBondContact NH2-OE2 2.89Å; R251-E279 PolarHBondContact O-N 2.79Å; R277-E279 HydrophobicContact CG-CG 3.92Å; E279-L281 HydrophobicContact CB-CD2 4.33Å; E279-P322 CarbonylContact C-O 3.54Å; E279-P322 WeakPolarHBondContact CA-O 3.44Å; E279-A323 HydrophobicContact CG-CB 4.07Å
280N97.8Very high95.8Very high13 Ų1333.7 Ų33.77%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-91.4106.9170.7-175.42.8000108.9I250 G282 E284 L317 P322I250-N280 HydrophobicContact CD1-CB 3.81Å; N280-G282 VanDerWaalsContact C-N 3.3Å; N280-G282 WeakPolarHBondContact OD1-CA 3.45Å; N280-G282 PolarHBondContact OD1-N 3.34Å; N280-E284 PolarHBondContact ND2-O 3.25Å; N280-L317 HydrophobicContact CB-CB 3.66Å; N280-L317 HydrophobicContact CB-CD1 4.24Å; N280-L317 PolarHBondContact ND2-O 3.08Å; N280-L317 VanDerWaalsContact ND2-O 3.11Å; N280-P322 PolarHBondContact N-O 3.48Å
281L96.8Very high96.2Very high89 Ų8936 Ų3647%0.46618%0.178SC..  trans-85.8-7.5176.4-51.6-179.2000112T246 N249 R251 E279T246-L281 HydrophobicContact CG2-CD1 4.3Å; N249-L281 HydrophobicContact CB-CB 4.33Å; N249-L281 WeakPolarHBondContact O-CB 3.39Å; N249-L281 PolarHBondContact O-N 2.71Å; R251-L281 HydrophobicContact CB-CD1 4.06Å; R251-L281 HydrophobicContact CB-CG 4.34Å; E279-L281 HydrophobicContact CB-CD2 4.33Å
282G95.3Very high96.6Very high21 Ų2134.8 Ų34.822%0.21618%0.175CC..SBendtrans-89.418017900000113.2N280N280-G282 VanDerWaalsContact C-N 3.3Å; N280-G282 WeakPolarHBondContact OD1-CA 3.45Å; N280-G282 PolarHBondContact OD1-N 3.34Å
283S94.3Very high96.9Very high61 Ų6134.9 Ų34.943%0.42718%0.175SC..SBendtrans-92.5-24.2173.552.30000114.1
284E95.8Very high97.2Very high115 Ų11539.4 Ų39.454%0.53719%0.192SC..SBendtrans-75.7140.2-172.7-60.6-52.2114.600110.9N280N280-E284 PolarHBondContact ND2-O 3.25Å
285V97.9Very high97.4Very high54 Ų5439.1 Ų39.133%0.32719%0.192SC..  trans-77130.8175-178.60000109V316 T348V285-V316 HydrophobicContact CG1-CG1 3.54Å; V285-T348 HydrophobicContact CB-CG2 3.9Å; V285-T348 HydrophobicContact CG1-CG2 4.28Å
286V98.4Very high97.6Very high7 Ų742.6 Ų42.64%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-133.8156.5178.2-58.30000111.6I250 V316 L317 I345 E346 R347 F353I250-V286 HydrophobicContact CD1-CG2 3.72Å; V286-V316 CarbonylContact O-C 3.49Å; V286-V316 WeakPolarHBondContact O-CA 3.4Å; V286-L317 HydrophobicContact CG2-CB 3.97Å; V286-L317 HydrophobicContact CG2-CD1 4.4Å; V286-L317 PolarHBondContact N-O 3.05Å; V286-L317 VanDerWaalsContact N-O 3.07Å; V286-L317 PolarHBondContact O-N 3.23Å; V286-I345 HydrophobicContact CB-CG2 3.46Å; V286-I345 VanDerWaalsContact CB-CG2 3.46Å; V286-I345 HydrophobicContact CG1-CG2 4.08Å; V286-I345 HydrophobicContact CG2-CG2 3.82Å; V286-E346 CarbonylContact C-O 3.53Å; V286-E346 WeakPolarHBondContact CA-O 3.48Å; V286-R347 HydrophobicContact CG1-CG 4.33Å; V286-F353 HydrophobicContact CG1-CE1 4.31Å; V286-F353 HydrophobicContact CG1-CZ 4.42Å
287Q98.5Very high97.5Very high45 Ų4543 Ų4321%0.2121%0.209CC..EExtended strand (participates in β ladder)trans-129.1132.2177.5-172.4166.91800111.5R289 E314 P315 V316 I345 E346Q287-R289 PolarHBondContact O-N 3.01Å; Q287-R289 VanDerWaalsContact OE1-NH2 3.12Å; Q287-E314 HydrophobicContact CG-CB 4.41Å; Q287-E314 PolarHBondContact NE2-O 2.87Å; Q287-P315 WeakPolarHBondContact CA-O 3.41Å; Q287-V316 HydrophobicContact CB-CG2 4.21Å; Q287-V316 HydrophobicContact CG-CG2 3.88Å; Q287-I345 WeakPolarHBondContact O-CA 3.09Å; Q287-E346 PolarHBondContact N-O 3.22Å; Q287-E346 PolarHBondContact O-N 2.81Å
288L98.5Very high97.1Very high1 Ų147.6 Ų47.61%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-74.1123.9170.7-176.6162000109.7L278 V310 E314 P315 F343 I345L278-L288 HydrophobicContact CD1-CD1 4.21Å; L278-L288 HydrophobicContact CD2-CD1 3.77Å; L288-V310 HydrophobicContact CD1-CG1 3.93Å; L288-V310 HydrophobicContact CD1-CG2 4.14Å; L288-V310 HydrophobicContact CD2-CG1 4.02Å; L288-V310 HydrophobicContact CD2-CG2 4.31Å; L288-E314 VanDerWaalsContact O-CA 3.27Å; L288-E314 WeakPolarHBondContact O-CA 3.29Å; L288-E314 WeakPolarHBondContact O-CB 3.07Å; L288-E314 WeakPolarHBondContact O-CG 3.36Å; L288-P315 HydrophobicContact CB-CG 3.94Å; L288-P315 HydrophobicContact CD1-CG 4.38Å; L288-P315 PolarHBondContact N-O 2.98Å; L288-F343 HydrophobicContact CD1-CB 4.19Å; L288-F343 HydrophobicContact CD1-CD1 3.71Å; L288-F343 HydrophobicContact CD1-CD2 4.37Å; L288-F343 HydrophobicContact CD1-CE1 4.14Å; L288-F343 HydrophobicContact CD1-CG 3.84Å; L288-F343 HydrophobicContact CG-CB 4.36Å; L288-F343 HydrophobicContact CG-CD1 4.33Å; L288-F343 HydrophobicContact CG-CG 4.47Å; L288-I345 HydrophobicContact CB-CD1 3.79Å; L288-I345 HydrophobicContact CG-CD1 4.1Å
289R98.4Very high96.5Very high62 Ų6251.3 Ų51.323%0.23426%0.261CS..EExtended strand (participates in β ladder)trans-108.8-44.4-179.2-66.4-56.8-162.7-172.2-2.5114.1Q287 R308 G309 E314 R344 E346Q287-R289 PolarHBondContact O-N 3.01Å; Q287-R289 VanDerWaalsContact OE1-NH2 3.12Å; R289-R308 CarbonylContact O-C 3.47Å; R289-R308 WeakPolarHBondContact O-CA 3.49Å; R289-G309 PolarHBondContact O-N 2.88Å; R289-E314 WeakPolarHBondContact CD-OE1 3.47Å; R289-E314 IonicContact NH1-OE1 3.7Å; R289-R344 PolarHBondContact N-O 3.14Å; R289-E346 HydrophobicContact CG-CB 3.76Å; R289-E346 IonicContact CZ-OE2 4Å; R289-E346 VanDerWaalsContact CZ-OE2 3.26Å; R289-E346 IonicContact NE-OE2 3.98Å; R289-E346 PolarHBondContact NE-OE2 3.26Å; R289-E346 IonicContact NH2-OE1 3.99Å; R289-E346 IonicContact NH2-OE2 3.14Å; R289-E346 PolarHBondContact NH2-OE2 2.8Å
290E98.5Very high96.1Very high87 Ų8752.8 Ų52.841%0.40728%0.281SS..EExtended strand (participates in β ladder)trans-137.3150.8-173-52.7179.5144.400110.5G307 F343 R344E290-G307 WeakPolarHBondContact CA-O 3.17Å; E290-F343 CarbonylContact O-C 3.6Å; E290-F343 WeakPolarHBondContact O-CA 3.4Å; E290-R344 HydrophobicContact CB-CB 3.85Å; E290-R344 HydrophobicContact CG-CB 4.37Å; E290-R344 PolarHBondContact N-O 3.36Å; E290-R344 PolarHBondContact O-N 2.89Å; E290-R344 WeakPolarHBondContact OE2-CD 3.4Å; E290-R344 IonicContact OE2-CZ 3.66Å; E290-R344 IonicContact OE2-NE 3.6Å; E290-R344 IonicContact OE2-NH1 2.84Å; E290-R344 PolarHBondContact OE2-NH1 3.38Å; E290-R344 VanDerWaalsContact OE2-NH1 3.14Å
291R98.4Very high95.8Very high66 Ų6655.4 Ų55.425%0.24930%0.298CS..EExtended strand (participates in β ladder)trans-115.6141.5167.870.5-172.2-178.9-74.2-2.6109.2R306 G307 R308 G309 V310 F343R291-R306 WeakPolarHBondContact O-CA 3.25Å; R291-G307 PolarHBondContact N-O 3.44Å; R291-G307 PolarHBondContact O-N 3.32Å; R291-R308 PolarHBondContact NH1-O 2.92Å; R291-G309 VanDerWaalsContact CD-O 3.31Å; R291-G309 WeakPolarHBondContact CD-O 3.28Å; R291-G309 PolarHBondContact NH1-O 3.19Å; R291-V310 HydrophobicContact CB-CG1 4.37Å; R291-F343 HydrophobicContact CB-CD1 3.9Å; R291-F343 HydrophobicContact CB-CE1 3.92Å
292H98.4Very high95.8Very high41 Ų4155 Ų5519%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-133.9106.9173.7175.6-147.4000109T304 V305 R306 G341 T342H292-T304 VanDerWaalsContact NE2-CG2 3.26Å; H292-T304 WeakPolarHBondContact NE2-CG2 3.44Å; H292-V305 CarbonylContact C-O 3.55Å; H292-V305 WeakPolarHBondContact CA-O 3.22Å; H292-R306 HydrophobicContact CB-CG 4.14Å; H292-R306 WeakPolarHBondContact CD2-CG 3.43Å; H292-R306 PolarHBondContact CD2-NE 2.97Å; H292-R306 PolarHBondContact CE1-NH2 2.85Å; H292-R306 VanDerWaalsContact CE1-NH2 3.27Å; H292-R306 PolarHBondContact NE2-NE 3.07Å; H292-R306 VanDerWaalsContact NE2-NE 3.18Å; H292-R306 PolarHBondContact NE2-NH2 3.02Å; H292-G341 CarbonylContact O-C 3.49Å; H292-G341 WeakPolarHBondContact O-CA 3.23Å; H292-T342 PolarHBondContact N-O 2.77Å; H292-T342 PolarHBondContact O-N 2.98Å
293W98.4Very high95.8Very high5 Ų558.5 Ų58.52%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-101.4144.3179.9-71.4103.7000111.3Y274 I276 I295 T304 V305 M339 F343 I357 F360Y274-W293 HydrophobicContact CE2-CZ2 4.21Å; I276-W293 HydrophobicContact CD1-CH2 3.46Å; I276-W293 VanDerWaalsContact CD1-CH2 3.46Å; I276-W293 HydrophobicContact CD1-CZ2 3.49Å; I276-W293 VanDerWaalsContact CD1-CZ2 3.49Å; W293-I295 HydrophobicContact CB-CG1 4.46Å; W293-T304 CarbonylContact O-C 3.59Å; W293-T304 VanDerWaalsContact O-CA 3.25Å; W293-T304 WeakPolarHBondContact O-CA 3.45Å; W293-V305 HydrophobicContact CB-CB 4.15Å; W293-V305 PolarHBondContact N-O 3.11Å; W293-V305 PolarHBondContact O-N 2.77Å; W293-M339 HydrophobicContact CD2-CE 4.04Å; W293-M339 HydrophobicContact CE3-CE 3.67Å; W293-M339 HydrophobicContact CZ3-CE 4.02Å; W293-F343 HydrophobicContact CZ2-CZ 4.42Å; W293-I357 HydrophobicContact CD2-CD1 4.32Å; W293-I357 HydrophobicContact CE3-CD1 4.21Å; W293-I357 HydrophobicContact CH2-CB 4.42Å; W293-I357 HydrophobicContact CH2-CD1 3.47Å; W293-I357 VanDerWaalsContact CH2-CD1 3.47Å; W293-I357 HydrophobicContact CH2-CG1 4.46Å; W293-I357 HydrophobicContact CH2-CG2 3.65Å; W293-I357 HydrophobicContact CZ2-CD1 3.55Å; W293-I357 HydrophobicContact CZ3-CB 4.36Å; W293-I357 HydrophobicContact CZ3-CD1 3.8Å; W293-I357 HydrophobicContact CZ3-CG2 3.77Å; W293-F360 HydrophobicContact CH2-CE1 4.1Å; W293-F360 HydrophobicContact CH2-CZ 4.37Å; W293-F360 AromaticContact CZ3-CE1 3.76Å; W293-F360 HydrophobicContact CZ3-CE1 3.76Å; W293-F360 HydrophobicContact CZ3-CZ 4.11Å
294R98.3Very high95.9Very high99 Ų9959.2 Ų59.237%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-123126166.9-65.7178.169.9159.95.1107.3L302 E303 M339 W340R294-L302 HydrophobicContact CB-CD1 4.35Å; R294-E303 WeakPolarHBondContact CA-O 3.39Å; R294-M339 WeakPolarHBondContact O-CA 3.31Å; R294-W340 HydrophobicContact CB-CD2 3.95Å; R294-W340 HydrophobicContact CB-CE3 4.49Å; R294-W340 HydrophobicContact CB-CG 4.38Å; R294-W340 HydrophobicContact CB-CH2 4.37Å; R294-W340 HydrophobicContact CB-CZ2 3.82Å; R294-W340 PolarHBondContact N-O 2.89Å; R294-W340 PolarHBondContact O-N 2.92Å; R294-W340 VanDerWaalsContact O-O 3.09Å
295I97.9Very high96Very high11 Ų1156.2 Ų56.26%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-127113.5-173-49.7176.7000106.3W293 L302 E303 V305 V330 L332 M339W293-I295 HydrophobicContact CB-CG1 4.46Å; I295-L302 CarbonylContact O-C 3.57Å; I295-L302 WeakPolarHBondContact O-CA 3.44Å; I295-E303 HydrophobicContact CB-CB 4.29Å; I295-E303 PolarHBondContact N-O 3.31Å; I295-E303 PolarHBondContact O-N 2.95Å; I295-V305 HydrophobicContact CD1-CG2 4.32Å; I295-V330 HydrophobicContact CD1-CG2 4.03Å; I295-V330 HydrophobicContact CG2-CG2 4.33Å; I295-L332 HydrophobicContact CG2-CD2 3.65Å; I295-M339 HydrophobicContact CB-CG 4.21Å; I295-M339 HydrophobicContact CD1-CE 3.82Å; I295-M339 HydrophobicContact CD1-SD 4.44Å; I295-M339 HydrophobicContact CG1-CE 3.75Å; I295-M339 HydrophobicContact CG1-CG 3.99Å; I295-M339 HydrophobicContact CG1-SD 4.27Å; I295-M339 HydrophobicContact CG2-CG 3.84Å; I295-M339 HydrophobicContact CG2-SD 4.38Å
296F97.1Very high95.9Very high78 Ų7862.5 Ų62.534%0.34232%0.315SS..EExtended strand (participates in β ladder)trans-110.3118.4179.7-177.8-107.5000109.4T301 L302 G337 H338 W340F296-T301 WeakPolarHBondContact CA-O 3.23Å; F296-L302 HydrophobicContact CB-CD1 4.24Å; F296-L302 HydrophobicContact CD2-CB 4.29Å; F296-G337 CarbonylContact O-C 3.55Å; F296-G337 WeakPolarHBondContact O-CA 3.26Å; F296-H338 PolarHBondContact N-O 2.85Å; F296-H338 PolarHBondContact O-N 2.91Å; F296-W340 HydrophobicContact CB-CH2 3.81Å; F296-W340 HydrophobicContact CB-CZ3 3.69Å
297S94.3Very high95.8Very high9 Ų963.2 Ų63.26%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-89.3154.3175.162.80000111.1S299 G300 T301S297-S299 PolarHBondContact O-N 2.82Å; S297-S299 VanDerWaalsContact O-N 3.13Å; S297-S299 PolarHBondContact OG-OG 2.78Å; S297-G300 PolarHBondContact O-N 3.47Å; S297-T301 PolarHBondContact N-O 3.47Å; S297-T301 VanDerWaalsContact OG-CB 3.31Å; S297-T301 WeakPolarHBondContact OG-CB 3.44Å; S297-T301 PolarHBondContact OG-N 2.69Å; S297-T301 PolarHBondContact OG-O 3.23Å
298L89.7Confident95.8Very high118 Ų11869.7 Ų69.762%0.61835%0.346SS*.THydrogen-bonded Turntrans-61.1-21.5174.1-172.963.4000113.1G300 A334 S336L298-G300 PolarHBondContact O-N 3.02Å; L298-G300 VanDerWaalsContact O-N 3.16Å; L298-A334 HydrophobicContact CB-CB 4.47Å; L298-S336 WeakPolarHBondContact CB-O 3.39Å; L298-S336 WeakPolarHBondContact CD2-OG 3.29Å; L298-S336 PolarHBondContact N-O 3.33Å
299S86.9Confident95.7Very high78 Ų7869.7 Ų69.755%0.54535%0.347SS..THydrogen-bonded Turntrans-67.7-5.1171.861.10000114.1S297S297-S299 PolarHBondContact O-N 2.82Å; S297-S299 VanDerWaalsContact O-N 3.13Å; S297-S299 PolarHBondContact OG-OG 2.78Å
300G89Confident95.6Very high49 Ų4966.7 Ų66.751%0.50534%0.335SS..SBendtrans90.84.1-179.600000114.3S297 L298S297-G300 PolarHBondContact O-N 3.47Å; L298-G300 PolarHBondContact O-N 3.02Å; L298-G300 VanDerWaalsContact O-N 3.16Å
301T91.8Very high95.2Very high68 Ų6865 Ų6542%0.41733%0.331SS..  trans-81.2127.8178.4-52.90000110.4F296 S297 E303F296-T301 WeakPolarHBondContact CA-O 3.23Å; S297-T301 PolarHBondContact N-O 3.47Å; S297-T301 VanDerWaalsContact OG-CB 3.31Å; S297-T301 WeakPolarHBondContact OG-CB 3.44Å; S297-T301 PolarHBondContact OG-N 2.69Å; S297-T301 PolarHBondContact OG-O 3.23Å; T301-E303 HydrophobicContact CG2-CG 4.04Å
302L95.9Very high94.9Very high80 Ų8065.8 Ų65.842%0.41936%0.36SS..EExtended strand (participates in β ladder)trans-106.1112169.1178.965.7000110R294 I295 F296 W340R294-L302 HydrophobicContact CB-CD1 4.35Å; I295-L302 CarbonylContact O-C 3.57Å; I295-L302 WeakPolarHBondContact O-CA 3.44Å; F296-L302 HydrophobicContact CB-CD1 4.24Å; F296-L302 HydrophobicContact CD2-CB 4.29Å; L302-W340 HydrophobicContact CD1-CH2 4.08Å; L302-W340 HydrophobicContact CD1-CZ2 4.42Å
303E95.6Very high94.7Very high95 Ų9568.2 Ų68.244%0.44437%0.367SS..EExtended strand (participates in β ladder)trans-99.4146.7172.3-59.2-174.1-176.700110.8R294 I295 T301R294-E303 WeakPolarHBondContact CA-O 3.39Å; I295-E303 HydrophobicContact CB-CB 4.29Å; I295-E303 PolarHBondContact N-O 3.31Å; I295-E303 PolarHBondContact O-N 2.95Å; T301-E303 HydrophobicContact CG2-CG 4.04Å
304T96.8Very high94.7Very high75 Ų7570 Ų7046%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-128.3128.3175.6-62.70000109.7H292 W293H292-T304 VanDerWaalsContact NE2-CG2 3.26Å; H292-T304 WeakPolarHBondContact NE2-CG2 3.44Å; W293-T304 CarbonylContact O-C 3.59Å; W293-T304 VanDerWaalsContact O-CA 3.25Å; W293-T304 WeakPolarHBondContact O-CA 3.45Å
305V96.6Very high94.6Very high52 Ų5266 Ų6632%0.31536%0.362SS..EExtended strand (participates in β ladder)trans-121.1120.3179.3-176.30000109.1H292 W293 I295H292-V305 CarbonylContact C-O 3.55Å; H292-V305 WeakPolarHBondContact CA-O 3.22Å; W293-V305 HydrophobicContact CB-CB 4.15Å; W293-V305 PolarHBondContact N-O 3.11Å; W293-V305 PolarHBondContact O-N 2.77Å; I295-V305 HydrophobicContact CD1-CG2 4.32Å
306R97.1Very high94.6Very high187 Ų18768.6 Ų68.671%0.70638%0.379SS*.EExtended strand (participates in β ladder)trans-115.6143.5172-69-175-178.3-166.11.6110.3R291 H292R291-R306 WeakPolarHBondContact O-CA 3.25Å; H292-R306 HydrophobicContact CB-CG 4.14Å; H292-R306 WeakPolarHBondContact CD2-CG 3.43Å; H292-R306 PolarHBondContact CD2-NE 2.97Å; H292-R306 PolarHBondContact CE1-NH2 2.85Å; H292-R306 VanDerWaalsContact CE1-NH2 3.27Å; H292-R306 PolarHBondContact NE2-NE 3.07Å; H292-R306 VanDerWaalsContact NE2-NE 3.18Å; H292-R306 PolarHBondContact NE2-NH2 3.02Å
307G96.5Very high94.6Very high22 Ų2265 Ų6523%0.22736%0.363CS..EExtended strand (participates in β ladder)trans-174.3161.9174.500000113.7E290 R291E290-G307 WeakPolarHBondContact CA-O 3.17Å; R291-G307 PolarHBondContact N-O 3.44Å; R291-G307 PolarHBondContact O-N 3.32Å
308R97.8Very high94.7Very high180 Ų18065.2 Ų65.268%0.67937%0.365SS*.EExtended strand (participates in β ladder)trans-70136.7175.9-171.9177.8178.1-163.7-3.2111.2R289 R291 E314R289-R308 CarbonylContact O-C 3.47Å; R289-R308 WeakPolarHBondContact O-CA 3.49Å; R291-R308 PolarHBondContact NH1-O 2.92Å; R308-E314 HydrophobicContact CG-CG 4.33Å; R308-E314 WeakPolarHBondContact CG-OE1 3.41Å; R308-E314 IonicContact CZ-OE1 3.19Å; R308-E314 IonicContact CZ-OE2 2.73Å; R308-E314 IonicContact NE-OE1 3.07Å; R308-E314 PolarHBondContact NE-OE1 2.87Å; R308-E314 IonicContact NE-OE2 3.81Å; R308-E314 PolarHBondContact NE-OE2 3.3Å; R308-E314 IonicContact NH2-OE1 2.66Å; R308-E314 IonicContact NH2-OE2 3.45Å; R308-E314 PolarHBondContact NH2-OE2 2.86Å
309G96.8Very high94.8Very high1 Ų166.3 Ų66.31%0.0136%0.364CS..SBendtrans59.1-163.9176.900000114.2R289 R291 R313R289-G309 PolarHBondContact O-N 2.88Å; R291-G309 VanDerWaalsContact CD-O 3.31Å; R291-G309 WeakPolarHBondContact CD-O 3.28Å; R291-G309 PolarHBondContact NH1-O 3.19Å; G309-R313 CarbonylContact C-O 3.57Å; G309-R313 WeakPolarHBondContact CA-O 2.86Å
310V95.5Very high94.9Very high0 Ų069.1 Ų69.10%037%0.369CS..BIsolated β-bridgetrans-130133.7169.9-70.70000107.7L288 R291 G312 R313 P315 F324 Y326 F343L288-V310 HydrophobicContact CD1-CG1 3.93Å; L288-V310 HydrophobicContact CD1-CG2 4.14Å; L288-V310 HydrophobicContact CD2-CG1 4.02Å; L288-V310 HydrophobicContact CD2-CG2 4.31Å; R291-V310 HydrophobicContact CB-CG1 4.37Å; V310-G312 PolarHBondContact O-N 3.33Å; V310-R313 PolarHBondContact N-O 2.98Å; V310-R313 WeakPolarHBondContact O-CA 3.07Å; V310-R313 PolarHBondContact O-N 3.38Å; V310-R313 VanDerWaalsContact O-O 3.12Å; V310-P315 HydrophobicContact CG2-CG 4.37Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.64Å; V310-F324 HydrophobicContact CG2-CZ 4.35Å; V310-Y326 HydrophobicContact CB-CD1 4.24Å; V310-Y326 HydrophobicContact CB-CD2 4.48Å; V310-Y326 HydrophobicContact CB-CE1 3.83Å; V310-Y326 HydrophobicContact CB-CE2 4.12Å; V310-Y326 HydrophobicContact CG1-CE1 3.84Å; V310-Y326 HydrophobicContact CG1-CE2 4.42Å; V310-Y326 WeakPolarHBondContact CG1-OH 3.4Å; V310-Y326 HydrophobicContact CG2-CD1 4.02Å; V310-Y326 HydrophobicContact CG2-CE1 3.95Å; V310-F343 HydrophobicContact CG1-CD1 4.19Å; V310-F343 HydrophobicContact CG1-CE1 3.54Å; V310-F343 HydrophobicContact CG1-CZ 4.26Å
311V91.1Very high95Very high52 Ų5270.6 Ų70.632%0.31536%0.362SS..THydrogen-bonded Turntrans48.135.4177.9-640000114.6Q160 R313 F324 Y326Q160-V311 VanDerWaalsContact NE2-CG2 3.32Å; V311-R313 VanDerWaalsContact C-N 3.33Å; V311-F324 HydrophobicContact CG2-CZ 4.43Å; V311-Y326 HydrophobicContact CG1-CD2 3.59Å; V311-Y326 HydrophobicContact CG1-CE2 4.2Å; V311-Y326 HydrophobicContact CG1-CG 4.39Å; V311-Y326 HydrophobicContact CG2-CD2 4.16Å; V311-Y326 HydrophobicContact CG2-CG 4.16Å
312G92.3Very high95.2Very high82 Ų8269.3 Ų69.385%0.84536%0.356SS*.THydrogen-bonded Turntrans799.2-178.200000115.3V310V310-G312 PolarHBondContact O-N 3.33Å
313R94.2Very high95.2Very high91 Ų9165.7 Ų65.734%0.34334%0.337SS..BIsolated β-bridgetrans-122.6149.5-177.6-59.3-174.9179.9-175.21.7112.1S156 Q157 G309 V310 V311 P315 F324S156-R313 VanDerWaalsContact O-CZ 3.31Å; S156-R313 PolarHBondContact O-NH1 2.86Å; S156-R313 PolarHBondContact O-NH2 3.47Å; Q157-R313 PolarHBondContact O-NH1 3.3Å; Q157-R313 VanDerWaalsContact O-NH1 3.11Å; G309-R313 CarbonylContact C-O 3.57Å; G309-R313 WeakPolarHBondContact CA-O 2.86Å; V310-R313 PolarHBondContact N-O 2.98Å; V310-R313 WeakPolarHBondContact O-CA 3.07Å; V310-R313 PolarHBondContact O-N 3.38Å; V310-R313 VanDerWaalsContact O-O 3.12Å; V311-R313 VanDerWaalsContact C-N 3.33Å; R313-P315 WeakPolarHBondContact O-CD 3.27Å; R313-F324 HydrophobicContact CB-CZ 4.36Å
314E97.3Very high95.2Very high43 Ų4361.4 Ų61.420%0.20132%0.317CS..  trans-120.477.4172.3-72.1176.7121.100108.1Q287 L288 R289 R308 V316Q287-E314 HydrophobicContact CG-CB 4.41Å; Q287-E314 PolarHBondContact NE2-O 2.87Å; L288-E314 VanDerWaalsContact O-CA 3.27Å; L288-E314 WeakPolarHBondContact O-CA 3.29Å; L288-E314 WeakPolarHBondContact O-CB 3.07Å; L288-E314 WeakPolarHBondContact O-CG 3.36Å; R289-E314 WeakPolarHBondContact CD-OE1 3.47Å; R289-E314 IonicContact NH1-OE1 3.7Å; R308-E314 HydrophobicContact CG-CG 4.33Å; R308-E314 WeakPolarHBondContact CG-OE1 3.41Å; R308-E314 IonicContact CZ-OE1 3.19Å; R308-E314 IonicContact CZ-OE2 2.73Å; R308-E314 IonicContact NE-OE1 3.07Å; R308-E314 PolarHBondContact NE-OE1 2.87Å; R308-E314 IonicContact NE-OE2 3.81Å; R308-E314 PolarHBondContact NE-OE2 3.3Å; R308-E314 IonicContact NH2-OE1 2.66Å; R308-E314 IonicContact NH2-OE2 3.45Å; R308-E314 PolarHBondContact NH2-OE2 2.86Å; E314-V316 PolarHBondContact O-N 2.87Å
315P96.4Very high95.2Very high14 Ų1458 Ų589%0.09130%0.296CS..  trans-62.5136.8-171.625.9-36000111.8Q287 L288 V310 R313 F324Q287-P315 WeakPolarHBondContact CA-O 3.41Å; L288-P315 HydrophobicContact CB-CG 3.94Å; L288-P315 HydrophobicContact CD1-CG 4.38Å; L288-P315 PolarHBondContact N-O 2.98Å; V310-P315 HydrophobicContact CG2-CG 4.37Å; R313-P315 WeakPolarHBondContact O-CD 3.27Å; P315-F324 HydrophobicContact CB-CB 3.88Å; P315-F324 HydrophobicContact CB-CD1 4.08Å; P315-F324 HydrophobicContact CB-CD2 3.51Å; P315-F324 HydrophobicContact CB-CE2 4.01Å; P315-F324 HydrophobicContact CB-CG 3.55Å; P315-F324 HydrophobicContact CB-CZ 4.49Å; P315-F324 HydrophobicContact CG-CB 4.18Å; P315-F324 HydrophobicContact CG-CD1 3.72Å; P315-F324 HydrophobicContact CG-CD2 4.07Å; P315-F324 HydrophobicContact CG-CE1 4.05Å; P315-F324 HydrophobicContact CG-CE2 4.39Å; P315-F324 HydrophobicContact CG-CG 3.72Å; P315-F324 HydrophobicContact CG-CZ 4.38Å
316V97.2Very high95Very high67 Ų6755.8 Ų55.841%0.40628%0.282SS..EExtended strand (participates in β ladder)trans-92.7127.6169-179.80000107.6V285 V286 Q287 E314V285-V316 HydrophobicContact CG1-CG1 3.54Å; V286-V316 CarbonylContact O-C 3.49Å; V286-V316 WeakPolarHBondContact O-CA 3.4Å; Q287-V316 HydrophobicContact CB-CG2 4.21Å; Q287-V316 HydrophobicContact CG-CG2 3.88Å; E314-V316 PolarHBondContact O-N 2.87Å
317L97.4Very high94.7Very high2 Ų247.4 Ų47.41%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-108.6115.7177.1-53.6176.8000109.1L278 N280 V286 Q321 F324L278-L317 HydrophobicContact CB-CD1 4.05Å; N280-L317 HydrophobicContact CB-CB 3.66Å; N280-L317 HydrophobicContact CB-CD1 4.24Å; N280-L317 PolarHBondContact ND2-O 3.08Å; N280-L317 VanDerWaalsContact ND2-O 3.11Å; V286-L317 HydrophobicContact CG2-CB 3.97Å; V286-L317 HydrophobicContact CG2-CD1 4.4Å; V286-L317 PolarHBondContact N-O 3.05Å; V286-L317 VanDerWaalsContact N-O 3.07Å; V286-L317 PolarHBondContact O-N 3.23Å; L317-Q321 WeakPolarHBondContact CA-O 3.27Å; L317-F324 HydrophobicContact CD2-CB 3.82Å
318S95.8Very high94.5Very high14 Ų1447.9 Ų47.910%0.09825%0.252CS..  trans-130.5178.6178.978.60000110.6E320 Q321 P322S318-E320 WeakPolarHBondContact CB-OE2 3.2Å; S318-E320 PolarHBondContact O-N 2.65Å; S318-E320 PolarHBondContact OG-N 3.16Å; S318-E320 PolarHBondContact OG-OE2 2.93Å; S318-Q321 PolarHBondContact N-O 2.93Å; S318-Q321 VanDerWaalsContact N-O 3.11Å; S318-Q321 CarbonylContact O-C 3.55Å; S318-Q321 PolarHBondContact O-N 3.13Å; S318-Q321 PolarHBondContact OG-N 2.79Å; S318-P322 WeakPolarHBondContact O-CA 3.28Å; S318-P322 WeakPolarHBondContact O-CB 3.12Å
319K92.1Very high94.2Very high140 Ų14042.3 Ų42.361%0.60923%0.233SC*.SBendtrans-61.1-32.9174.1-68.8-174.1-179.31780113.1
320E89.7Confident94.1Very high138 Ų13842.9 Ų42.965%0.64524%0.236SC*.SBendtrans-78.1-27.9179.1-56.270.2-149.600111.8R158 S318R158-E320 PolarHBondContact NH1-O 3Å; S318-E320 WeakPolarHBondContact CB-OE2 3.2Å; S318-E320 PolarHBondContact O-N 2.65Å; S318-E320 PolarHBondContact OG-N 3.16Å; S318-E320 PolarHBondContact OG-OE2 2.93Å
321Q91.5Very high93.9Very high79 Ų7945.1 Ų45.137%0.36925%0.252SS..SBendtrans-133.269.4178.6-55.2-171.223.100109.6L317 S318 A323L317-Q321 WeakPolarHBondContact CA-O 3.27Å; S318-Q321 PolarHBondContact N-O 2.93Å; S318-Q321 VanDerWaalsContact N-O 3.11Å; S318-Q321 CarbonylContact O-C 3.55Å; S318-Q321 PolarHBondContact O-N 3.13Å; S318-Q321 PolarHBondContact OG-N 2.79Å; Q321-A323 PolarHBondContact O-N 3.03Å
322P94.6Very high94Very high42 Ų4243 Ų4327%0.27324%0.239SC..  trans-78.2-5.6-167.431.5-36.5000113E279 N280 S318E279-P322 CarbonylContact C-O 3.54Å; E279-P322 WeakPolarHBondContact CA-O 3.44Å; N280-P322 PolarHBondContact N-O 3.48Å; S318-P322 WeakPolarHBondContact O-CA 3.28Å; S318-P322 WeakPolarHBondContact O-CB 3.12Å
323A96.5Very high94Very high4 Ų446.1 Ų46.13%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-142.4151.2-177.200000113.5V95 F96 L278 E279 Q321V95-A323 HydrophobicContact CG1-CB 3.28Å; F96-A323 HydrophobicContact CE1-CB 3.96Å; F96-A323 HydrophobicContact CZ-CB 4.07Å; L278-A323 CarbonylContact O-C 3.51Å; L278-A323 WeakPolarHBondContact O-CA 3.36Å; L278-A323 WeakPolarHBondContact O-CB 3.46Å; E279-A323 HydrophobicContact CG-CB 4.07Å; Q321-A323 PolarHBondContact O-N 3.03Å
324F96.9Very high93.9Very high4 Ų442 Ų422%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-135131.4171.5-178.8-95.3000110.2Q157 R158 R277 L278 V310 V311 R313 P315 L317 Y326Q157-F324 WeakPolarHBondContact O-CE2 3.4Å; R158-F324 CarbonylContact O-C 3.56Å; R158-F324 WeakPolarHBondContact O-CA 2.99Å; R158-F324 WeakPolarHBondContact O-CD2 3.41Å; R277-F324 WeakPolarHBondContact CA-O 3.41Å; L278-F324 HydrophobicContact CD1-CD1 4.13Å; L278-F324 PolarHBondContact N-O 2.84Å; L278-F324 PolarHBondContact O-N 2.99Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.64Å; V310-F324 HydrophobicContact CG2-CZ 4.35Å; V311-F324 HydrophobicContact CG2-CZ 4.43Å; R313-F324 HydrophobicContact CB-CZ 4.36Å; P315-F324 HydrophobicContact CB-CB 3.88Å; P315-F324 HydrophobicContact CB-CD1 4.08Å; P315-F324 HydrophobicContact CB-CD2 3.51Å; P315-F324 HydrophobicContact CB-CE2 4.01Å; P315-F324 HydrophobicContact CB-CG 3.55Å; P315-F324 HydrophobicContact CB-CZ 4.49Å; P315-F324 HydrophobicContact CG-CB 4.18Å; P315-F324 HydrophobicContact CG-CD1 3.72Å; P315-F324 HydrophobicContact CG-CD2 4.07Å; P315-F324 HydrophobicContact CG-CE1 4.05Å; P315-F324 HydrophobicContact CG-CE2 4.39Å; P315-F324 HydrophobicContact CG-CG 3.72Å; P315-F324 HydrophobicContact CG-CZ 4.38Å; L317-F324 HydrophobicContact CD2-CB 3.82Å; F324-Y326 HydrophobicContact CD1-CD1 4.04Å; F324-Y326 AromaticContact CE1-CD1 3.66Å; F324-Y326 HydrophobicContact CE1-CD1 3.66Å; F324-Y326 HydrophobicContact CE1-CG 4.03Å
325Q95.5Very high93.6Very high5 Ų542.5 Ų42.52%0.02322%0.224CC..EExtended strand (participates in β ladder)trans-124135.7177.4-177.4170.7-67.600111F96 R158 S159 Q160 D183 I276 R277F96-Q325 HydrophobicContact CE1-CB 4.46Å; F96-Q325 HydrophobicContact CE2-CB 3.92Å; F96-Q325 HydrophobicContact CZ-CB 3.54Å; R158-Q325 PolarHBondContact O-N 2.88Å; S159-Q325 WeakPolarHBondContact CA-O 3.45Å; Q160-Q325 PolarHBondContact N-O 2.79Å; Q160-Q325 VanDerWaalsContact N-O 3.09Å; D183-Q325 PolarHBondContact OD1-NE2 2.85Å; I276-Q325 WeakPolarHBondContact O-CA 3.32Å; R277-Q325 HydrophobicContact CB-CG 4.49Å; R277-Q325 HydrophobicContact CG-CB 4.44Å; R277-Q325 VanDerWaalsContact NH2-OE1 3.17Å
326Y93.7Very high93.5Very high5 Ų542.7 Ų42.72%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-144.2158.8175.876.5-84.3000111.8Y274 I276 L278 V310 V311 F324 F343Y274-Y326 HydrophobicContact CE2-CE2 4.11Å; I276-Y326 HydrophobicContact CB-CD1 4.16Å; I276-Y326 HydrophobicContact CB-CE1 3.67Å; I276-Y326 HydrophobicContact CD1-CE1 4.39Å; I276-Y326 HydrophobicContact CD1-CE2 4.5Å; I276-Y326 WeakPolarHBondContact CD1-OH 3.07Å; I276-Y326 HydrophobicContact CG2-CD1 4.4Å; I276-Y326 HydrophobicContact CG2-CE1 3.71Å; I276-Y326 PolarHBondContact N-O 2.97Å; I276-Y326 PolarHBondContact O-N 2.97Å; L278-Y326 HydrophobicContact CD1-CD1 4.37Å; L278-Y326 HydrophobicContact CD1-CE1 4.09Å; V310-Y326 HydrophobicContact CB-CD1 4.24Å; V310-Y326 HydrophobicContact CB-CD2 4.48Å; V310-Y326 HydrophobicContact CB-CE1 3.83Å; V310-Y326 HydrophobicContact CB-CE2 4.12Å; V310-Y326 HydrophobicContact CG1-CE1 3.84Å; V310-Y326 HydrophobicContact CG1-CE2 4.42Å; V310-Y326 WeakPolarHBondContact CG1-OH 3.4Å; V310-Y326 HydrophobicContact CG2-CD1 4.02Å; V310-Y326 HydrophobicContact CG2-CE1 3.95Å; V311-Y326 HydrophobicContact CG1-CD2 3.59Å; V311-Y326 HydrophobicContact CG1-CE2 4.2Å; V311-Y326 HydrophobicContact CG1-CG 4.39Å; V311-Y326 HydrophobicContact CG2-CD2 4.16Å; V311-Y326 HydrophobicContact CG2-CG 4.16Å; F324-Y326 HydrophobicContact CD1-CD1 4.04Å; F324-Y326 AromaticContact CE1-CD1 3.66Å; F324-Y326 HydrophobicContact CE1-CD1 3.66Å; F324-Y326 HydrophobicContact CE1-CG 4.03Å; Y326-F343 HydrophobicContact CE1-CZ 4.28Å; Y326-F343 WeakPolarHBondContact OH-CZ 3.39Å
327S90.9Very high93.4Very high10 Ų1039.5 Ų39.57%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-116.7143.2171.8-74.30000110.5Q160 Y274Q160-S327 PolarHBondContact OE1-O 3.4Å; Y274-S327 VanDerWaalsContact O-CA 3.29Å; Y274-S327 WeakPolarHBondContact O-CA 3.2Å
328S91.3Very high93.4Very high33 Ų3343.4 Ų43.423%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-149-178.9170.4-1630000109.9R273 Y274R273-S328 CarbonylContact C-O 3.54Å; R273-S328 VanDerWaalsContact CA-O 3.26Å; R273-S328 WeakPolarHBondContact CA-O 3.43Å; R273-S328 WeakPolarHBondContact CG-O 3.43Å; Y274-S328 PolarHBondContact N-O 2.89Å; Y274-S328 PolarHBondContact O-N 2.83Å; Y274-S328 VanDerWaalsContact O-N 3.07Å; Y274-S328 WeakPolarHBondContact OH-CB 3.44Å
329H92.2Very high93.5Very high62 Ų6242.9 Ų42.929%0.28722%0.221SC..EExtended strand (participates in β ladder)trans-131.4151.6-168.5-43.193.2000110.8T165 W272T165-H329 WeakPolarHBondContact CG2-NE2 3.32Å; T165-H329 PolarHBondContact OG1-CD2 3.01Å; T165-H329 PolarHBondContact OG1-NE2 2.97Å; W272-H329 CarbonylContact O-C 3.57Å; W272-H329 VanDerWaalsContact O-CA 3.23Å; W272-H329 WeakPolarHBondContact O-CA 3.41Å
330V93.3Very high93.8Very high13 Ų1339.7 Ų39.78%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-135147.6171.962.80000108.5W272 Y274 I295 L332 M339 L362W272-V330 HydrophobicContact CB-CG1 3.94Å; W272-V330 HydrophobicContact CE3-CG1 4.48Å; W272-V330 PolarHBondContact N-O 3.29Å; W272-V330 PolarHBondContact O-N 3.46Å; Y274-V330 HydrophobicContact CD1-CG1 4.36Å; Y274-V330 HydrophobicContact CE1-CB 4.28Å; Y274-V330 HydrophobicContact CE1-CG1 4.45Å; I295-V330 HydrophobicContact CD1-CG2 4.03Å; I295-V330 HydrophobicContact CG2-CG2 4.33Å; V330-L332 HydrophobicContact CG2-CD2 4.43Å; V330-M339 HydrophobicContact CB-CE 4.49Å; V330-M339 HydrophobicContact CB-SD 3.9Å; V330-M339 HydrophobicContact CG1-SD 3.68Å; V330-M339 HydrophobicContact CG2-CE 4.44Å; V330-M339 HydrophobicContact CG2-SD 3.83Å; V330-L362 HydrophobicContact CG1-CD1 3.79Å; V330-L362 HydrophobicContact CG1-CD2 4.2Å
331S92.3Very high94.2Very high48 Ų4833.5 Ų33.534%0.33618%0.178SC..EExtended strand (participates in β ladder)trans-125.4145.4169.959.40000111Y270Y270-S331 CarbonylContact O-C 3.53Å; Y270-S331 WeakPolarHBondContact O-CA 3.48Å; Y270-S331 WeakPolarHBondContact O-CB 3.36Å
332L92.9Very high94.6Very high8 Ų831.2 Ų31.24%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-128.7147.8176.5-57.4179.3000110.1Y270 W272 I295 V330 A334 L362Y270-L332 PolarHBondContact N-O 2.88Å; Y270-L332 PolarHBondContact O-N 2.61Å; W272-L332 HydrophobicContact CE3-CG 4.49Å; W272-L332 HydrophobicContact CH2-CB 4.38Å; W272-L332 HydrophobicContact CH2-CD1 4.16Å; W272-L332 HydrophobicContact CH2-CG 4.5Å; W272-L332 HydrophobicContact CZ3-CB 3.83Å; W272-L332 HydrophobicContact CZ3-CD1 3.89Å; W272-L332 HydrophobicContact CZ3-CG 3.81Å; I295-L332 HydrophobicContact CG2-CD2 3.65Å; V330-L332 HydrophobicContact CG2-CD2 4.43Å; L332-A334 PolarHBondContact O-N 2.8Å; L332-L362 HydrophobicContact CD1-CB 4.43Å; L332-L362 HydrophobicContact CD1-CD1 3.72Å; L332-L362 HydrophobicContact CG-CD1 4.31Å
333Q91.7Very high94.8Very high147 Ų14729.2 Ų29.269%0.68716%0.157SC*.SBendtrans-86.133.2165.8-64.9-175.5-40.300111.5
334A91.9Very high94.9Very high5 Ų533 Ų334%0.04117%0.17CC..SBendtrans-148.8147.4-18000000109Y270 L298 L332 S336Y270-A334 VanDerWaalsContact CD2-C 3.42Å; Y270-A334 VanDerWaalsContact CD2-O 3.23Å; Y270-A334 WeakPolarHBondContact CD2-O 3.49Å; L298-A334 HydrophobicContact CB-CB 4.47Å; L332-A334 PolarHBondContact O-N 2.8Å; A334-S336 PolarHBondContact O-N 2.76Å
335P92.4Very high94.9Very high52 Ų5232.8 Ų32.834%0.33817%0.169SC..SBendtrans-69.8-16.8-179.428.9-35.5000113Y270 W272 S364Y270-P335 HydrophobicContact CD1-CB 4.38Å; Y270-P335 HydrophobicContact CE1-CB 3.86Å; Y270-P335 HydrophobicContact CE2-CB 4.29Å; W272-P335 WeakPolarHBondContact CZ2-O 3.46Å; P335-S364 WeakPolarHBondContact CB-OG 3.39Å; P335-S364 VanDerWaalsContact O-CB 3.28Å; P335-S364 WeakPolarHBondContact O-CB 3.38Å; P335-S364 PolarHBondContact O-N 2.79Å; P335-S364 PolarHBondContact O-OG 3.46Å
336S93.5Very high95.1Very high18 Ų1835.6 Ų35.613%0.12618%0.182CC..EExtended strand (participates in β ladder)trans-145.9163.9175.266.90000114.1L298 A334 L362 E363L298-S336 WeakPolarHBondContact CB-O 3.39Å; L298-S336 WeakPolarHBondContact CD2-OG 3.29Å; L298-S336 PolarHBondContact N-O 3.33Å; A334-S336 PolarHBondContact O-N 2.76Å; S336-L362 CarbonylContact C-O 2.99Å; S336-L362 WeakPolarHBondContact CA-O 3.18Å; S336-L362 VanDerWaalsContact CB-O 3.29Å; S336-L362 WeakPolarHBondContact CB-O 3.27Å; S336-E363 WeakPolarHBondContact CB-OE2 3.33Å
337G95.6Very high95.3Very high1 Ų138.3 Ų38.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-174.7-178.8176.900000112.6F296 L362F296-G337 CarbonylContact O-C 3.55Å; F296-G337 WeakPolarHBondContact O-CA 3.26Å; G337-L362 PolarHBondContact N-O 3.45Å; G337-L362 PolarHBondContact O-N 2.91Å
338H96.8Very high95.6Very high84 Ų8443.2 Ų43.239%0.38922%0.222SC..EExtended strand (participates in β ladder)trans-128.3141.4176.4-58.3-70000110.3F296 W340 F360 S361F296-H338 PolarHBondContact N-O 2.85Å; F296-H338 PolarHBondContact O-N 2.91Å; H338-W340 HydrophobicContact CB-CE3 4.36Å; H338-W340 HydrophobicContact CB-CZ3 4.16Å; H338-F360 WeakPolarHBondContact CA-O 3.46Å; H338-S361 PolarHBondContact CE1-OG 3.26Å; H338-S361 PolarHBondContact ND1-OG 2.66Å
339M98.1Very high95.8Very high2 Ų247.2 Ų47.21%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-124.2139.5174.6-76.2-172.270.500110.6Y274 W293 R294 I295 V330 P359 F360 L362Y274-M339 HydrophobicContact CE1-CE 4.23Å; W293-M339 HydrophobicContact CD2-CE 4.04Å; W293-M339 HydrophobicContact CE3-CE 3.67Å; W293-M339 HydrophobicContact CZ3-CE 4.02Å; R294-M339 WeakPolarHBondContact O-CA 3.31Å; I295-M339 HydrophobicContact CB-CG 4.21Å; I295-M339 HydrophobicContact CD1-CE 3.82Å; I295-M339 HydrophobicContact CD1-SD 4.44Å; I295-M339 HydrophobicContact CG1-CE 3.75Å; I295-M339 HydrophobicContact CG1-CG 3.99Å; I295-M339 HydrophobicContact CG1-SD 4.27Å; I295-M339 HydrophobicContact CG2-CG 3.84Å; I295-M339 HydrophobicContact CG2-SD 4.38Å; V330-M339 HydrophobicContact CB-CE 4.49Å; V330-M339 HydrophobicContact CB-SD 3.9Å; V330-M339 HydrophobicContact CG1-SD 3.68Å; V330-M339 HydrophobicContact CG2-CE 4.44Å; V330-M339 HydrophobicContact CG2-SD 3.83Å; M339-P359 WeakPolarHBondContact O-CA 3.44Å; M339-F360 HydrophobicContact CB-CD1 4.28Å; M339-F360 HydrophobicContact CB-CD2 4.29Å; M339-F360 HydrophobicContact CB-CE1 3.68Å; M339-F360 HydrophobicContact CB-CE2 3.7Å; M339-F360 HydrophobicContact CB-CZ 3.36Å; M339-F360 HydrophobicContact CE-CZ 4.31Å; M339-F360 HydrophobicContact CG-CE2 4.35Å; M339-F360 HydrophobicContact CG-CZ 4.22Å; M339-F360 PolarHBondContact N-O 3.07Å; M339-F360 WeakPolarHBondContact O-CD1 3.08Å; M339-F360 PolarHBondContact O-N 2.82Å; M339-F360 HydrophobicContact SD-CE2 4.14Å; M339-F360 HydrophobicContact SD-CZ 3.96Å; M339-L362 HydrophobicContact CG-CD1 3.78Å; M339-L362 HydrophobicContact CG-CG 4.37Å; M339-L362 HydrophobicContact SD-CD1 3.76Å; M339-L362 HydrophobicContact SD-CD2 4.48Å; M339-L362 HydrophobicContact SD-CG 4.48Å
340W98.5Very high96Very high73 Ų7346.3 Ų46.328%0.27725%0.248SC..EExtended strand (participates in β ladder)trans-154.9172.617267.5103.3000109.6R294 F296 L302 H338 P359R294-W340 HydrophobicContact CB-CD2 3.95Å; R294-W340 HydrophobicContact CB-CE3 4.49Å; R294-W340 HydrophobicContact CB-CG 4.38Å; R294-W340 HydrophobicContact CB-CH2 4.37Å; R294-W340 HydrophobicContact CB-CZ2 3.82Å; R294-W340 PolarHBondContact N-O 2.89Å; R294-W340 PolarHBondContact O-N 2.92Å; R294-W340 VanDerWaalsContact O-O 3.09Å; F296-W340 HydrophobicContact CB-CH2 3.81Å; F296-W340 HydrophobicContact CB-CZ3 3.69Å; L302-W340 HydrophobicContact CD1-CH2 4.08Å; L302-W340 HydrophobicContact CD1-CZ2 4.42Å; H338-W340 HydrophobicContact CB-CE3 4.36Å; H338-W340 HydrophobicContact CB-CZ3 4.16Å; W340-P359 HydrophobicContact CB-CB 4.1Å; W340-P359 HydrophobicContact CB-CG 3.88Å; W340-P359 HydrophobicContact CG-CG 4.48Å
341G98.3Very high96.2Very high8 Ų847.6 Ų47.68%0.08226%0.258CS..EExtended strand (participates in β ladder)trans175.9-166-178.200000114.3H292 I357H292-G341 CarbonylContact O-C 3.49Å; H292-G341 WeakPolarHBondContact O-CA 3.23Å; G341-I357 PolarHBondContact O-N 2.86Å
342T98.7Very high96.5Very high31 Ų3150.3 Ų50.319%0.1927%0.265CS..EExtended strand (participates in β ladder)trans-136.5147.8172.656.30000111.2H292 D354 V355H292-T342 PolarHBondContact N-O 2.77Å; H292-T342 PolarHBondContact O-N 2.98Å; T342-D354 HydrophobicContact CG2-CB 4.21Å; T342-V355 CarbonylContact C-O 3.5Å; T342-V355 WeakPolarHBondContact CA-O 3.08Å
343F98.8Very high96.7Very high0 Ų050.6 Ų50.60%027%0.266CS..EExtended strand (participates in β ladder)trans-100.6129.8160.4-63.5-57.3000109V252 I276 L278 L288 E290 R291 W293 V310 Y326 I345 D354 V355 I357V252-F343 HydrophobicContact CG1-CE2 4.31Å; V252-F343 HydrophobicContact CG2-CD2 4.22Å; V252-F343 HydrophobicContact CG2-CE2 4.31Å; I276-F343 HydrophobicContact CD1-CZ 4.43Å; I276-F343 HydrophobicContact CG2-CE2 4.13Å; I276-F343 HydrophobicContact CG2-CZ 4.17Å; L278-F343 HydrophobicContact CD1-CE2 4.29Å; L278-F343 HydrophobicContact CD2-CD2 3.65Å; L278-F343 HydrophobicContact CD2-CE2 3.9Å; L278-F343 HydrophobicContact CD2-CG 4.33Å; L278-F343 HydrophobicContact CG-CD2 4.45Å; L278-F343 HydrophobicContact CG-CE2 4.22Å; L288-F343 HydrophobicContact CD1-CB 4.19Å; L288-F343 HydrophobicContact CD1-CD1 3.71Å; L288-F343 HydrophobicContact CD1-CD2 4.37Å; L288-F343 HydrophobicContact CD1-CE1 4.14Å; L288-F343 HydrophobicContact CD1-CG 3.84Å; L288-F343 HydrophobicContact CG-CB 4.36Å; L288-F343 HydrophobicContact CG-CD1 4.33Å; L288-F343 HydrophobicContact CG-CG 4.47Å; E290-F343 CarbonylContact O-C 3.6Å; E290-F343 WeakPolarHBondContact O-CA 3.4Å; R291-F343 HydrophobicContact CB-CD1 3.9Å; R291-F343 HydrophobicContact CB-CE1 3.92Å; W293-F343 HydrophobicContact CZ2-CZ 4.42Å; V310-F343 HydrophobicContact CG1-CD1 4.19Å; V310-F343 HydrophobicContact CG1-CE1 3.54Å; V310-F343 HydrophobicContact CG1-CZ 4.26Å; Y326-F343 HydrophobicContact CE1-CZ 4.28Å; Y326-F343 WeakPolarHBondContact OH-CZ 3.39Å; F343-I345 HydrophobicContact CB-CD1 4.08Å; F343-D354 CarbonylContact O-C 3.43Å; F343-D354 WeakPolarHBondContact O-CA 3.36Å; F343-V355 HydrophobicContact CB-CB 4.45Å; F343-V355 PolarHBondContact N-O 3.04Å; F343-V355 PolarHBondContact O-N 2.78Å; F343-I357 HydrophobicContact CD1-CD1 4.12Å; F343-I357 HydrophobicContact CD2-CD1 3.96Å; F343-I357 HydrophobicContact CD2-CG1 3.78Å; F343-I357 HydrophobicContact CE1-CD1 3.72Å; F343-I357 HydrophobicContact CE2-CD1 3.57Å; F343-I357 HydrophobicContact CE2-CG1 3.6Å; F343-I357 HydrophobicContact CG-CD1 4.22Å; F343-I357 HydrophobicContact CG-CG1 4.38Å; F343-I357 HydrophobicContact CZ-CD1 3.43Å; F343-I357 VanDerWaalsContact CZ-CD1 3.43Å; F343-I357 HydrophobicContact CZ-CG1 4.03Å
344R98.6Very high97Very high84 Ų8447.9 Ų47.932%0.31726%0.256SS..EExtended strand (participates in β ladder)trans-82.6119.8168.5-168.5178.6-175.6173.43108.8R289 E290 H352R289-R344 PolarHBondContact N-O 3.14Å; E290-R344 HydrophobicContact CB-CB 3.85Å; E290-R344 HydrophobicContact CG-CB 4.37Å; E290-R344 PolarHBondContact N-O 3.36Å; E290-R344 PolarHBondContact O-N 2.89Å; E290-R344 WeakPolarHBondContact OE2-CD 3.4Å; E290-R344 IonicContact OE2-CZ 3.66Å; E290-R344 IonicContact OE2-NE 3.6Å; E290-R344 IonicContact OE2-NH1 2.84Å; E290-R344 PolarHBondContact OE2-NH1 3.38Å; E290-R344 VanDerWaalsContact OE2-NH1 3.14Å; R344-H352 HydrophobicContact CG-CB 4.37Å; R344-H352 PolarHBondContact NE-CD2 3.22Å; R344-H352 PolarHBondContact NH2-CD2 3.14Å; R344-H352 VanDerWaalsContact NH2-CD2 3.33Å; R344-H352 PolarHBondContact NH2-CE1 3.32Å; R344-H352 PolarHBondContact NH2-ND1 3.25Å; R344-H352 PolarHBondContact NH2-NE2 2.69Å
345I98.6Very high97.4Very high0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-108.5135.6179.5-57.7-53.6000109.1V286 Q287 L288 F343 H352 F353 V355V286-I345 HydrophobicContact CB-CG2 3.46Å; V286-I345 VanDerWaalsContact CB-CG2 3.46Å; V286-I345 HydrophobicContact CG1-CG2 4.08Å; V286-I345 HydrophobicContact CG2-CG2 3.82Å; Q287-I345 WeakPolarHBondContact O-CA 3.09Å; L288-I345 HydrophobicContact CB-CD1 3.79Å; L288-I345 HydrophobicContact CG-CD1 4.1Å; F343-I345 HydrophobicContact CB-CD1 4.08Å; I345-H352 CarbonylContact O-C 3.43Å; I345-H352 WeakPolarHBondContact O-CA 3.38Å; I345-H352 VanDerWaalsContact O-CB 3.28Å; I345-H352 WeakPolarHBondContact O-CB 3.4Å; I345-F353 HydrophobicContact CB-CD1 4.17Å; I345-F353 HydrophobicContact CB-CD2 4.47Å; I345-F353 HydrophobicContact CB-CE1 3.78Å; I345-F353 HydrophobicContact CB-CE2 4.1Å; I345-F353 HydrophobicContact CB-CZ 3.75Å; I345-F353 HydrophobicContact CG1-CE2 4.34Å; I345-F353 HydrophobicContact CG1-CZ 4.31Å; I345-F353 HydrophobicContact CG2-CD1 4.31Å; I345-F353 HydrophobicContact CG2-CE1 3.49Å; I345-F353 VanDerWaalsContact CG2-CE1 3.49Å; I345-F353 HydrophobicContact CG2-CE2 4.32Å; I345-F353 HydrophobicContact CG2-CZ 3.51Å; I345-F353 PolarHBondContact N-O 2.92Å; I345-F353 PolarHBondContact O-N 2.8Å; I345-V355 HydrophobicContact CB-CG2 4.38Å; I345-V355 HydrophobicContact CD1-CG2 4.49Å; I345-V355 HydrophobicContact CG1-CB 4.12Å; I345-V355 HydrophobicContact CG1-CG2 3.44Å; I345-V355 VanDerWaalsContact CG1-CG2 3.44Å
346E98.6Very high97.6Very high63 Ų6352.2 Ų52.229%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-109.6136.9174.7-168.3-173.3148.900109.9V286 Q287 R289 S351V286-E346 CarbonylContact C-O 3.53Å; V286-E346 WeakPolarHBondContact CA-O 3.48Å; Q287-E346 PolarHBondContact N-O 3.22Å; Q287-E346 PolarHBondContact O-N 2.81Å; R289-E346 HydrophobicContact CG-CB 3.76Å; R289-E346 IonicContact CZ-OE2 4Å; R289-E346 VanDerWaalsContact CZ-OE2 3.26Å; R289-E346 IonicContact NE-OE2 3.98Å; R289-E346 PolarHBondContact NE-OE2 3.26Å; R289-E346 IonicContact NH2-OE1 3.99Å; R289-E346 IonicContact NH2-OE2 3.14Å; R289-E346 PolarHBondContact NH2-OE2 2.8Å; E346-S351 WeakPolarHBondContact CA-O 3.39Å
347R97.9Very high97.9Very high63 Ų6351.5 Ų51.524%0.23826%0.259CS..EExtended strand (participates in β ladder)trans-89.5168.3172.4-62.9-169.5-172.581.13.2110.8E248 V286 D349 G350 S351 F353E248-R347 IonicContact OE1-NH2 3.22Å; E248-R347 IonicContact OE2-CZ 3.05Å; E248-R347 IonicContact OE2-NH2 3.26Å; E248-R347 PolarHBondContact OE2-NH2 2.89Å; V286-R347 HydrophobicContact CG1-CG 4.33Å; R347-D349 VanDerWaalsContact CB-OD1 3.28Å; R347-D349 WeakPolarHBondContact CB-OD1 3.23Å; R347-D349 PolarHBondContact O-N 3.46Å; R347-G350 PolarHBondContact O-N 3.38Å; R347-G350 VanDerWaalsContact O-N 3.08Å; R347-S351 WeakPolarHBondContact CD-OG 3.3Å; R347-S351 PolarHBondContact N-O 3.45Å; R347-S351 PolarHBondContact NH1-OG 3.38Å; R347-F353 HydrophobicContact CG-CD1 4.41Å; R347-F353 HydrophobicContact CG-CE1 4.07Å
348T96.7Very high98Very high112 Ų11251.4 Ų51.469%0.68726%0.259SS*.THydrogen-bonded Turntrans-63.1-22.7176.6500000114.2V285 G350V285-T348 HydrophobicContact CB-CG2 3.9Å; V285-T348 HydrophobicContact CG1-CG2 4.28Å; T348-G350 VanDerWaalsContact C-N 3.28Å
349D96.3Very high98Very high118 Ų11849.7 Ų49.763%0.63126%0.255SS*.THydrogen-bonded Turntrans-82.9-0.2175.769.5-0.6000113.8R347 S351R347-D349 VanDerWaalsContact CB-OD1 3.28Å; R347-D349 WeakPolarHBondContact CB-OD1 3.23Å; R347-D349 PolarHBondContact O-N 3.46Å; D349-S351 VanDerWaalsContact C-N 3.28Å; D349-S351 PolarHBondContact O-N 3.19Å; D349-S351 WeakPolarHBondContact OD1-CB 3.46Å; D349-S351 PolarHBondContact OD1-N 3.03Å; D349-S351 PolarHBondContact OD1-OG 3.18Å; D349-S351 PolarHBondContact OD2-OG 3.27Å
350G96.2Very high97.9Very high42 Ų4249.7 Ų49.743%0.43326%0.255SS..SBendtrans82.5-4.2-177.700000114.7R347 T348R347-G350 PolarHBondContact O-N 3.38Å; R347-G350 VanDerWaalsContact O-N 3.08Å; T348-G350 VanDerWaalsContact C-N 3.28Å
351S97.8Very high97.7Very high40 Ų4048.2 Ų48.228%0.2826%0.255SS..  trans-68.4154.217072.30000110.7E346 R347 D349E346-S351 WeakPolarHBondContact CA-O 3.39Å; R347-S351 WeakPolarHBondContact CD-OG 3.3Å; R347-S351 PolarHBondContact N-O 3.45Å; R347-S351 PolarHBondContact NH1-OG 3.38Å; D349-S351 VanDerWaalsContact C-N 3.28Å; D349-S351 PolarHBondContact O-N 3.19Å; D349-S351 WeakPolarHBondContact OD1-CB 3.46Å; D349-S351 PolarHBondContact OD1-N 3.03Å; D349-S351 PolarHBondContact OD1-OG 3.18Å; D349-S351 PolarHBondContact OD2-OG 3.27Å
352H97.7Very high97.5Very high106 Ų10647.9 Ų47.949%0.49125%0.252SS..EExtended strand (participates in β ladder)trans-133.9155.6179.759.7-86.1000112.1R344 I345R344-H352 HydrophobicContact CG-CB 4.37Å; R344-H352 PolarHBondContact NE-CD2 3.22Å; R344-H352 PolarHBondContact NH2-CD2 3.14Å; R344-H352 VanDerWaalsContact NH2-CD2 3.33Å; R344-H352 PolarHBondContact NH2-CE1 3.32Å; R344-H352 PolarHBondContact NH2-ND1 3.25Å; R344-H352 PolarHBondContact NH2-NE2 2.69Å; I345-H352 CarbonylContact O-C 3.43Å; I345-H352 WeakPolarHBondContact O-CA 3.38Å; I345-H352 VanDerWaalsContact O-CB 3.28Å; I345-H352 WeakPolarHBondContact O-CB 3.4Å
353F98.3Very high97.2Very high14 Ų1450.6 Ų50.66%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-147.1159.8174.864.1-78.3000110.2E248 I250 V286 I345 R347 V355E248-F353 HydrophobicContact CB-CD2 3.79Å; E248-F353 HydrophobicContact CB-CE2 3.55Å; E248-F353 HydrophobicContact CB-CZ 4.25Å; E248-F353 HydrophobicContact CG-CD2 4.01Å; E248-F353 HydrophobicContact CG-CE2 4.3Å; E248-F353 VanDerWaalsContact OE1-CB 3.26Å; E248-F353 WeakPolarHBondContact OE1-CB 3.26Å; I250-F353 HydrophobicContact CG1-CE2 4.02Å; I250-F353 HydrophobicContact CG1-CZ 3.92Å; V286-F353 HydrophobicContact CG1-CE1 4.31Å; V286-F353 HydrophobicContact CG1-CZ 4.42Å; I345-F353 HydrophobicContact CB-CD1 4.17Å; I345-F353 HydrophobicContact CB-CD2 4.47Å; I345-F353 HydrophobicContact CB-CE1 3.78Å; I345-F353 HydrophobicContact CB-CE2 4.1Å; I345-F353 HydrophobicContact CB-CZ 3.75Å; I345-F353 HydrophobicContact CG1-CE2 4.34Å; I345-F353 HydrophobicContact CG1-CZ 4.31Å; I345-F353 HydrophobicContact CG2-CD1 4.31Å; I345-F353 HydrophobicContact CG2-CE1 3.49Å; I345-F353 VanDerWaalsContact CG2-CE1 3.49Å; I345-F353 HydrophobicContact CG2-CE2 4.32Å; I345-F353 HydrophobicContact CG2-CZ 3.51Å; I345-F353 PolarHBondContact N-O 2.92Å; I345-F353 PolarHBondContact O-N 2.8Å; R347-F353 HydrophobicContact CG-CD1 4.41Å; R347-F353 HydrophobicContact CG-CE1 4.07Å; F353-V355 HydrophobicContact CD2-CG2 3.84Å; F353-V355 HydrophobicContact CE2-CG2 3.35Å; F353-V355 HydrophobicContact CZ-CG2 4.27Å
354D98.5Very high96.7Very high89 Ų8951.4 Ų51.448%0.47627%0.268SS..EExtended strand (participates in β ladder)trans-101.4117.9179.9-76.7-14.1000110.3T247 T342 F343T247-D354 WeakPolarHBondContact CG2-O 3.21Å; T342-D354 HydrophobicContact CG2-CB 4.21Å; F343-D354 CarbonylContact O-C 3.43Å; F343-D354 WeakPolarHBondContact O-CA 3.36Å
355V98.6Very high95.6Very high0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-87.7126.7171.91740000109I250 V252 T342 F343 I345 F353I250-V355 HydrophobicContact CB-CG1 4.03Å; I250-V355 HydrophobicContact CB-CG2 3.65Å; I250-V355 HydrophobicContact CG1-CG2 3.92Å; I250-V355 HydrophobicContact CG2-CG1 3.91Å; I250-V355 HydrophobicContact CG2-CG2 4.01Å; V252-V355 HydrophobicContact CG2-CG1 3.52Å; T342-V355 CarbonylContact C-O 3.5Å; T342-V355 WeakPolarHBondContact CA-O 3.08Å; F343-V355 HydrophobicContact CB-CB 4.45Å; F343-V355 PolarHBondContact N-O 3.04Å; F343-V355 PolarHBondContact O-N 2.78Å; I345-V355 HydrophobicContact CB-CG2 4.38Å; I345-V355 HydrophobicContact CD1-CG2 4.49Å; I345-V355 HydrophobicContact CG1-CB 4.12Å; I345-V355 HydrophobicContact CG1-CG2 3.44Å; I345-V355 VanDerWaalsContact CG1-CG2 3.44Å; F353-V355 HydrophobicContact CD2-CG2 3.84Å; F353-V355 HydrophobicContact CE2-CG2 3.35Å; F353-V355 HydrophobicContact CZ-CG2 4.27Å
356R98.5Very high93.9Very high148 Ų14858.5 Ų58.556%0.55830%0.303SS*.EExtended strand (participates in β ladder)trans-73.5139.3179.8-67.5177.4-178.8162.53.1111.3E245 T247E245-R356 WeakPolarHBondContact OE1-CD 3.45Å; E245-R356 IonicContact OE1-NH1 3.92Å; T247-R356 PolarHBondContact OG1-N 2.81Å
357I98.6Very high92.1Very high3 Ų361.1 Ų61.12%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-97116.2163.5-51.6175.1000105.9V252 V254 W293 G341 F343 F360V252-I357 HydrophobicContact CG1-CG2 4.26Å; V254-I357 HydrophobicContact CG2-CG2 3.83Å; W293-I357 HydrophobicContact CD2-CD1 4.32Å; W293-I357 HydrophobicContact CE3-CD1 4.21Å; W293-I357 HydrophobicContact CH2-CB 4.42Å; W293-I357 HydrophobicContact CH2-CD1 3.47Å; W293-I357 VanDerWaalsContact CH2-CD1 3.47Å; W293-I357 HydrophobicContact CH2-CG1 4.46Å; W293-I357 HydrophobicContact CH2-CG2 3.65Å; W293-I357 HydrophobicContact CZ2-CD1 3.55Å; W293-I357 HydrophobicContact CZ3-CB 4.36Å; W293-I357 HydrophobicContact CZ3-CD1 3.8Å; W293-I357 HydrophobicContact CZ3-CG2 3.77Å; G341-I357 PolarHBondContact O-N 2.86Å; F343-I357 HydrophobicContact CD1-CD1 4.12Å; F343-I357 HydrophobicContact CD2-CD1 3.96Å; F343-I357 HydrophobicContact CD2-CG1 3.78Å; F343-I357 HydrophobicContact CE1-CD1 3.72Å; F343-I357 HydrophobicContact CE2-CD1 3.57Å; F343-I357 HydrophobicContact CE2-CG1 3.6Å; F343-I357 HydrophobicContact CG-CD1 4.22Å; F343-I357 HydrophobicContact CG-CG1 4.38Å; F343-I357 HydrophobicContact CZ-CD1 3.43Å; F343-I357 VanDerWaalsContact CZ-CD1 3.43Å; F343-I357 HydrophobicContact CZ-CG1 4.03Å; I357-F360 HydrophobicContact CG2-CE1 4.41Å
358P97.8Very high90.1Very high0 Ų062.6 Ų62.60%033%0.331CS..EExtended strand (participates in β ladder)trans-60.7140-176.124.7-33.2000109.9H243 E245 V254 F360H243-P358 HydrophobicContact CB-CB 4.18Å; H243-P358 HydrophobicContact CB-CG 3.89Å; E245-P358 HydrophobicContact CB-CB 3.88Å; E245-P358 HydrophobicContact CB-CG 4.1Å; V254-P358 HydrophobicContact CG2-CG 4.14Å; P358-F360 WeakPolarHBondContact O-CD1 3.25Å; P358-F360 PolarHBondContact O-N 2.84Å
359P97Very high87.9Confident48 Ų4864.3 Ų64.331%0.31233%0.329SS..EExtended strand (participates in β ladder)trans-54130.8171-24.631.2000112H243 M339 W340H243-P359 PolarHBondContact ND1-O 2.76Å; H243-P359 VanDerWaalsContact ND1-O 3.07Å; M339-P359 WeakPolarHBondContact O-CA 3.44Å; W340-P359 HydrophobicContact CB-CB 4.1Å; W340-P359 HydrophobicContact CB-CG 3.88Å; W340-P359 HydrophobicContact CG-CG 4.48Å
360F96.4Very high85.7Confident2 Ų261.8 Ų61.81%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-132.4150.4174.561.6-86.5000110.7H243 V254 P256 W293 H338 M339 I357 P358 L362H243-F360 HydrophobicContact CB-CB 4.28Å; H243-F360 WeakPolarHBondContact CD2-CB 3.31Å; V254-F360 HydrophobicContact CB-CD1 4.2Å; V254-F360 HydrophobicContact CB-CE1 4.49Å; V254-F360 HydrophobicContact CG1-CD1 3.68Å; V254-F360 HydrophobicContact CG1-CD2 4.32Å; V254-F360 HydrophobicContact CG1-CE1 3.64Å; V254-F360 HydrophobicContact CG1-CE2 4.27Å; V254-F360 HydrophobicContact CG1-CG 4.02Å; V254-F360 HydrophobicContact CG1-CZ 3.94Å; V254-F360 HydrophobicContact CG2-CD1 4.38Å; P256-F360 HydrophobicContact CB-CD2 3.89Å; P256-F360 HydrophobicContact CB-CE2 4.17Å; P256-F360 HydrophobicContact CG-CD2 3.98Å; W293-F360 HydrophobicContact CH2-CE1 4.1Å; W293-F360 HydrophobicContact CH2-CZ 4.37Å; W293-F360 AromaticContact CZ3-CE1 3.76Å; W293-F360 HydrophobicContact CZ3-CE1 3.76Å; W293-F360 HydrophobicContact CZ3-CZ 4.11Å; H338-F360 WeakPolarHBondContact CA-O 3.46Å; M339-F360 HydrophobicContact CB-CD1 4.28Å; M339-F360 HydrophobicContact CB-CD2 4.29Å; M339-F360 HydrophobicContact CB-CE1 3.68Å; M339-F360 HydrophobicContact CB-CE2 3.7Å; M339-F360 HydrophobicContact CB-CZ 3.36Å; M339-F360 HydrophobicContact CE-CZ 4.31Å; M339-F360 HydrophobicContact CG-CE2 4.35Å; M339-F360 HydrophobicContact CG-CZ 4.22Å; M339-F360 PolarHBondContact N-O 3.07Å; M339-F360 WeakPolarHBondContact O-CD1 3.08Å; M339-F360 PolarHBondContact O-N 2.82Å; M339-F360 HydrophobicContact SD-CE2 4.14Å; M339-F360 HydrophobicContact SD-CZ 3.96Å; I357-F360 HydrophobicContact CG2-CE1 4.41Å; P358-F360 WeakPolarHBondContact O-CD1 3.25Å; P358-F360 PolarHBondContact O-N 2.84Å; F360-L362 HydrophobicContact CD2-CD2 4.16Å; F360-L362 HydrophobicContact CE2-CD2 3.83Å
361S94.4Very high83.6Confident41 Ų4160.3 Ų60.329%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-88.8146.5179-610000111.2P256 H338P256-S361 WeakPolarHBondContact CG-O 3.31Å; H338-S361 PolarHBondContact CE1-OG 3.26Å; H338-S361 PolarHBondContact ND1-OG 2.66Å
362L94.5Very high81.2Confident1 Ų158.9 Ų58.91%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-109.5107.1167.5-60.7176.7000105.6P256 W272 V330 L332 S336 G337 M339 F360P256-L362 HydrophobicContact CB-CD2 4.09Å; W272-L362 HydrophobicContact CB-CD2 3.87Å; W272-L362 HydrophobicContact CD2-CB 3.94Å; W272-L362 HydrophobicContact CD2-CD1 4.49Å; W272-L362 HydrophobicContact CD2-CD2 4.16Å; W272-L362 HydrophobicContact CD2-CG 4.43Å; W272-L362 HydrophobicContact CE3-CB 4.38Å; W272-L362 HydrophobicContact CE3-CD1 4.35Å; W272-L362 HydrophobicContact CG-CB 4.31Å; W272-L362 HydrophobicContact CG-CD2 3.74Å; W272-L362 HydrophobicContact CH2-CB 4.45Å; W272-L362 HydrophobicContact CZ2-CB 4.04Å; V330-L362 HydrophobicContact CG1-CD1 3.79Å; V330-L362 HydrophobicContact CG1-CD2 4.2Å; L332-L362 HydrophobicContact CD1-CB 4.43Å; L332-L362 HydrophobicContact CD1-CD1 3.72Å; L332-L362 HydrophobicContact CG-CD1 4.31Å; S336-L362 CarbonylContact C-O 2.99Å; S336-L362 WeakPolarHBondContact CA-O 3.18Å; S336-L362 VanDerWaalsContact CB-O 3.29Å; S336-L362 WeakPolarHBondContact CB-O 3.27Å; G337-L362 PolarHBondContact N-O 3.45Å; G337-L362 PolarHBondContact O-N 2.91Å; M339-L362 HydrophobicContact CG-CD1 3.78Å; M339-L362 HydrophobicContact CG-CG 4.37Å; M339-L362 HydrophobicContact SD-CD1 3.76Å; M339-L362 HydrophobicContact SD-CD2 4.48Å; M339-L362 HydrophobicContact SD-CG 4.48Å; F360-L362 HydrophobicContact CD2-CD2 4.16Å; F360-L362 HydrophobicContact CE2-CD2 3.83Å
363E90.8Very high78.8Confident89 Ų8955.7 Ų55.742%0.41629%0.29SS..EExtended strand (participates in β ladder)trans-116.9133.9179.7-61.8-64.6160.300108.9W272 S336W272-E363 PolarHBondContact NE1-O 2.84Å; S336-E363 WeakPolarHBondContact CB-OE2 3.33Å
364S88.2Confident76.3Confident17 Ų1756.5 Ų56.512%0.11930%0.301CS..  trans-81.4162.7165.770.70000110.2P335P335-S364 WeakPolarHBondContact CB-OG 3.39Å; P335-S364 VanDerWaalsContact O-CB 3.28Å; P335-S364 WeakPolarHBondContact O-CB 3.38Å; P335-S364 PolarHBondContact O-N 2.79Å; P335-S364 PolarHBondContact O-OG 3.46Å
365N75.6Confident73.7Confident33 Ų3354.8 Ų54.818%0.17629%0.289CS..  trans-68.7134.7168.6-174.4-1.2000109.4W236 L239 D367 D368W236-N365 HydrophobicContact CE3-CB 4.49Å; W236-N365 HydrophobicContact CH2-CB 4.04Å; W236-N365 HydrophobicContact CZ3-CB 3.57Å; L239-N365 HydrophobicContact CD1-CB 4Å; N365-D367 PolarHBondContact O-N 3.04Å; N365-D367 PolarHBondContact OD1-N 2.89Å; N365-D368 PolarHBondContact O-N 3.16Å
366K64Low70.7Confident200 Ų20062 Ų6287%0.8733%0.333SS*.THydrogen-bonded Turntrans-64.8-20.9179.1-65.1-175.9179.1-1780113.5
367D60.4Low67.8Low118 Ų11860.7 Ų60.763%0.63133%0.331SS*.THydrogen-bonded Turntrans-92.94.1-177.2-68.7-23.7000113.8N365 K369N365-D367 PolarHBondContact O-N 3.04Å; N365-D367 PolarHBondContact OD1-N 2.89Å; D367-K369 PolarHBondContact O-N 3.34Å
368D56.4Low66.3Low93 Ų9363.6 Ų63.650%0.49735%0.347SS..  trans45.319.7176.1-75.1-29.6000116N365 A370N365-D368 PolarHBondContact O-N 3.16Å; D368-A370 PolarHBondContact O-N 2.9Å
369K49.6Very low64.6Low148 Ų14866.9 Ų66.964%0.64337%0.366SS*.PPolyproline II helixtrans-65.7126.4173.6-69.8-176.4-177.8173.10106.9W236 D367W236-K369 WeakPolarHBondContact CH2-O 3.38Å; D367-K369 PolarHBondContact O-N 3.34Å
370A51.5Low62.8Low66 Ų6667.9 Ų67.955%0.54537%0.368SS..PPolyproline II helixtrans-52140.5172.300000109D368D368-A370 PolarHBondContact O-N 2.9Å
371P50.5Low60.8Low10 Ų1071.8 Ų71.87%0.06539%0.39CS..PPolyproline II helixtrans-57.3163.7172.53.2-2.4000110.7W236 M259 G260 A373W236-P371 HydrophobicContact CZ2-CB 4.36Å; M259-P371 VanDerWaalsContact C-CG 3.43Å; M259-P371 WeakPolarHBondContact O-CG 3.43Å; G260-P371 VanDerWaalsContact CA-CD 3.49Å; P371-A373 PolarHBondContact O-N 3.28Å
372P47.8Very low58.7Low11 Ų1173.8 Ų73.87%0.07140%0.396CS..  trans-37.7108.2165.9-36.843000112.1K232 W236 G374K232-P372 HydrophobicContact CD-CB 3.86Å; K232-P372 HydrophobicContact CD-CG 4.01Å; K232-P372 VanDerWaalsContact CE-CA 3.45Å; K232-P372 HydrophobicContact CG-CB 3.78Å; K232-P372 HydrophobicContact CG-CG 3.34Å; K232-P372 WeakPolarHBondContact O-CG 3.37Å; W236-P372 VanDerWaalsContact NE1-CD 3.25Å; P372-G374 PolarHBondContact O-N 3.49Å
373A48.5Very low56.4Low39 Ų3978.6 Ų78.632%0.32242%0.422SS..  trans-47.5136163.400000108N169 K232 P371 Y375N169-A373 HydrophobicContact CB-CB 3.84Å; N169-A373 VanDerWaalsContact ND2-CB 3.27Å; N169-A373 WeakPolarHBondContact ND2-CB 3.31Å; K232-A373 PolarHBondContact NZ-O 2.94Å; K232-A373 VanDerWaalsContact NZ-O 3.11Å; P371-A373 PolarHBondContact O-N 3.28Å; A373-Y375 PolarHBondContact O-N 2.72Å
374G45.9Very low53.9Low30 Ų3077.9 Ų77.931%0.30942%0.423SS..  trans-42.5137.8175.200000110.9P372 T376P372-G374 PolarHBondContact O-N 3.49Å; G374-T376 PolarHBondContact O-N 3.49Å
375Y42.3Very low51.3Low54 Ų5482.5 Ų82.521%0.21245%0.446CS..  trans-65.6123.6-177.6-68.5-97.2000109.3W229 K232 N233 A373 F377W229-Y375 HydrophobicContact CE3-CD1 4.37Å; W229-Y375 HydrophobicContact CE3-CD2 4.3Å; W229-Y375 AromaticContact CE3-CE1 3.57Å; W229-Y375 HydrophobicContact CE3-CE1 3.57Å; W229-Y375 AromaticContact CE3-CE2 3.54Å; W229-Y375 HydrophobicContact CE3-CE2 3.54Å; W229-Y375 AromaticContact CE3-CZ 3.07Å; W229-Y375 HydrophobicContact CH2-CD2 4.31Å; W229-Y375 AromaticContact CH2-CE2 3.59Å; W229-Y375 HydrophobicContact CH2-CE2 3.59Å; W229-Y375 AromaticContact CH2-CZ 3.99Å; W229-Y375 HydrophobicContact CZ3-CD1 4.35Å; W229-Y375 AromaticContact CZ3-CD2 3.53Å; W229-Y375 HydrophobicContact CZ3-CD2 3.53Å; W229-Y375 AromaticContact CZ3-CE1 3.82Å; W229-Y375 HydrophobicContact CZ3-CE1 3.82Å; W229-Y375 AromaticContact CZ3-CE2 2.92Å; W229-Y375 HydrophobicContact CZ3-CE2 2.92Å; W229-Y375 HydrophobicContact CZ3-CG 4.23Å; W229-Y375 AromaticContact CZ3-CZ 3.06Å; W229-Y375 VanDerWaalsContact CZ3-OH 3.3Å; W229-Y375 WeakPolarHBondContact CZ3-OH 3.37Å; K232-Y375 HydrophobicContact CD-CE1 4.47Å; N233-Y375 PolarHBondContact ND2-OH 3.26Å; N233-Y375 VanDerWaalsContact ND2-OH 3.09Å; A373-Y375 PolarHBondContact O-N 2.72Å; Y375-F377 VanDerWaalsContact C-N 3.32Å; Y375-F377 HydrophobicContact CD1-CE1 4.42Å; Y375-F377 HydrophobicContact CD1-CZ 4.46Å; Y375-F377 HydrophobicContact CD2-CZ 4.34Å; Y375-F377 HydrophobicContact CG-CE1 4.25Å; Y375-F377 HydrophobicContact CG-CE2 4.22Å; Y375-F377 AromaticContact CG-CZ 3.89Å; Y375-F377 HydrophobicContact CG-CZ 3.89Å; Y375-F377 PolarHBondContact O-N 3.28Å
376T35.6Very low49.2Very low152 Ų15286.7 Ų86.793%0.93347%0.468SS*.  trans-73.296153.15.70000106.1G374G374-T376 PolarHBondContact O-N 3.49Å
377F38.3Very low47.9Very low119 Ų11976.4 Ų76.452%0.52243%0.432SS..  trans-78.10173.6-75.2-66.3000112.6Y177 I179 L205 Y375Y177-F377 HydrophobicContact CE1-CE2 4.06Å; Y177-F377 WeakPolarHBondContact OH-CE2 3.49Å; I179-F377 HydrophobicContact CD1-CZ 4.43Å; L205-F377 HydrophobicContact CD2-CE1 3.91Å; L205-F377 HydrophobicContact CD2-CZ 4.18Å; Y375-F377 VanDerWaalsContact C-N 3.32Å; Y375-F377 HydrophobicContact CD1-CE1 4.42Å; Y375-F377 HydrophobicContact CD1-CZ 4.46Å; Y375-F377 HydrophobicContact CD2-CZ 4.34Å; Y375-F377 HydrophobicContact CG-CE1 4.25Å; Y375-F377 HydrophobicContact CG-CE2 4.22Å; Y375-F377 AromaticContact CG-CZ 3.89Å; Y375-F377 HydrophobicContact CG-CZ 3.89Å; Y375-F377 PolarHBondContact O-N 3.28Å

Retrieved 377 of 377 residues in 658 ms (Link to these results)