A0A087Y4J4_POEFO Loading...

Sarcoglycan zeta

AlphaFold DB , UniProt , Accession A0A087Y4J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 308 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
1M34.3Very low36.3Very low228 Ų228158.8 Ų158.8100%1.12382%0.824SS**  0125.40-76.5-179.5-13300107.1
2T36.4Very low36.4Very low130 Ų130155.9 Ų155.980%0.79882%0.823SS**  trans50.3129.214860.40000117.3
3Q33.1Very low36Very low166 Ų166155.4 Ų155.478%0.77682%0.821SS**  cis-174.9150.226.8-157.8170.1-3200107.1
4E42.7Very low36.6Very low158 Ų158151.4 Ų151.474%0.73881%0.808SS**  trans-57153.6164.1-58.5-176.9100.900112
5Q37.5Very low36.5Very low169 Ų169151 Ų15179%0.7981%0.805SS**  -169120.6119.9-109.6159.6-4300112.5
6Y33.8Very low36.4Very low206 Ų206151.1 Ų151.181%0.80880%0.799SS**  trans-65.4153.1154.7-71.5-97.4000109.9
7I39.3Very low36.2Very low156 Ų156150.2 Ų150.280%0.879%0.789SS**  trans147.4115146.7-73.6152.8000107.2
8L37.3Very low36Very low172 Ų172154.8 Ų154.890%0.90179%0.794SS**  trans-158.9145.1153.3-91.3156000105.1
9A34.8Very low35.7Very low83 Ų83150.9 Ų150.969%0.68680%0.796SS**  cis179.7156.8-23.100000103.2
10A33.5Very low35.8Very low96 Ų96148.9 Ų148.979%0.79380%0.802SS**  trans-66.5157.9-172.400000114.6
11Q37.2Very low35.8Very low183 Ų183146.9 Ų146.986%0.85580%0.799SS**  trans-12.8145.9152.2-93.8171-31.300117.2
12P37.3Very low35.7Very low124 Ų124144.5 Ų144.581%0.80579%0.785SS**  -147.6159.78136.4-17000117
13N30.6Very low35.8Very low149 Ų149144 Ų14480%0.79779%0.786SS**  trans-52.2162.8155.1-105.3-10.4000110.8
14P45.3Very low35.8Very low99 Ų99142.2 Ų142.264%0.64379%0.792SS**  cis-149.2-179.43737.8-14.9000116.7
15L34.8Very low35.5Very low146 Ų146137.8 Ų137.876%0.76479%0.789SS**  trans42.5123.3143.9-68.1158000117.2
16H34.5Very low35.6Very low153 Ų153139 Ų13971%0.70879%0.794SS**  -178.3137.259.4-1326000110.3
17Q33.3Very low35.8Very low136 Ų136134.8 Ų134.864%0.63679%0.79SS**  trans56108.5136.8-136.5103.3-20.500121.7
18R32.3Very low36.1Very low233 Ų233137.3 Ų137.388%0.87979%0.791SS**  trans58.2114.7134-83-179.2169.3146.1-1.3120
19G30.4Very low36.5Very low80 Ų80135 Ų13583%0.82579%0.786SS**  trans-174.893.7145.700000109.1
20A38.7Very low36.9Very low110 Ų110135.1 Ų135.191%0.90979%0.787SS**  trans-93.8106.3177.300000109.5
21S35.8Very low37.6Very low107 Ų107137.3 Ų137.375%0.74879%0.79SS**  trans-166.5154.1153.359.70000110
22E32.2Very low38.4Very low178 Ų178131.6 Ų131.683%0.83278%0.78SS**  trans88.6109.7174.9-54.5-172.6135.400114.8
23C37.3Very low38.9Very low119 Ų119131.2 Ų131.280%0.80477%0.77SS**  75.114164.1-75.30000114.2
24S34.1Very low40Very low130 Ų130135 Ų13591%0.90978%0.775SS**  trans77.9123.7175.374.80000115.2
25G35.4Very low40.8Very low65 Ų65131.8 Ų131.867%0.6776%0.76SS**  cis172.7159.4000000109.7
26Q39.7Very low42.2Very low193 Ų193135.3 Ų135.390%0.90276%0.763SS**  trans65.5140.1142.9-66.3-145.60.700117.6
27V38.5Very low44Very low119 Ų119138 Ų13872%0.72177%0.767SS**  cis-155147.722.3-179.20000107.9
28Y45.9Very low45.8Very low209 Ų209137.7 Ų137.782%0.8276%0.763SS**  trans-60.8165.2171.3-64.6-94.4000114
29P45.4Very low48.1Very low124 Ų124135.2 Ų135.281%0.80575%0.754SS**  -125.2113.511527.3-16.6000111.2V31P29-V31 PolarHBondContact O-N 3.08Å
30A42.6Very low50.3Low85 Ų85135.2 Ų135.270%0.70274%0.741SS**  trans-70.5117.4165.200000108.3G32A30-G32 PolarHBondContact O-N 3.48Å
31V49.5Very low52.4Low141 Ų141134.6 Ų134.686%0.85572%0.722SS**  trans-72.777.9168.9-174.70000108.1P29P29-V31 PolarHBondContact O-N 3.08Å
32G52.3Low54.7Low63 Ų63136.9 Ų136.965%0.64972%0.715SS**  trans-94.988.7178.100000111.7A30 Y34A30-G32 PolarHBondContact O-N 3.48Å; G32-Y34 PolarHBondContact O-N 3.17Å
33I48Very low57.4Low116 Ų116134.8 Ų134.860%0.59570%0.703SS**  trans-90.987.3161.1-58177.9000107.2
34Y54.4Low59.9Low230 Ų230134.8 Ų134.890%0.90269%0.69SS**  trans-89139.7-174.2-166.9-102.7000112.1G32G32-Y34 PolarHBondContact O-N 3.17Å
35G62.3Low62.5Low31 Ų31132.9 Ų132.932%0.3267%0.668SS.*SBendtrans107.4-82.6149.200000118R39G35-R39 WeakPolarHBondContact O-CD 3.43Å
36W64.2Low65.1Low220 Ų220134.6 Ų134.683%0.83366%0.662SS**SBendtrans-110.1-35.3-156.9-130.255.9000114.8R39 C40W36-R39 PolarHBondContact O-N 3.01Å; W36-C40 WeakPolarHBondContact O-CB 3.42Å; W36-C40 PolarHBondContact O-N 3.37Å
37R71.2Confident67.6Low210 Ų210129.1 Ų129.179%0.79264%0.638SS**Hα-helixtrans-69.3-36.9-178.9-66.2-177.4179.9-179.3-0.2113.2C40 L41R37-C40 PolarHBondContact O-N 3.49Å; R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 2.63Å
38K71.8Confident70.2Confident128 Ų128127.5 Ų127.556%0.55763%0.625SS**Hα-helixtrans-66.2-42.1173.9-72.6-172.8-176.6-178.30111.8C40 L41 Y42K38-C40 VanDerWaalsContact C-N 3.35Å; K38-L41 PolarHBondContact O-N 3.16Å; K38-Y42 HydrophobicContact CB-CD2 4.41Å; K38-Y42 HydrophobicContact CB-CE2 4.17Å; K38-Y42 WeakPolarHBondContact O-CD2 3.49Å; K38-Y42 PolarHBondContact O-N 3.39Å
39R79.7Confident72.4Confident182 Ų182122.4 Ų122.469%0.68761%0.611SS**Hα-helixtrans-65.7-38.8176.4-67.4179.9-177.8166.61.3111.7G35 W36 Y42 F43G35-R39 WeakPolarHBondContact O-CD 3.43Å; W36-R39 PolarHBondContact O-N 3.01Å; R39-Y42 PolarHBondContact O-N 3.27Å; R39-F43 VanDerWaalsContact O-CB 3.23Å; R39-F43 WeakPolarHBondContact O-CB 3.18Å; R39-F43 PolarHBondContact O-N 2.87Å
40C77.6Confident74.8Confident80 Ų80120 Ų12054%0.54160%0.595SS.*Hα-helixtrans-62.4-42.6171.9-1710000111.7W36 R37 K38 F43 F44W36-C40 WeakPolarHBondContact O-CB 3.42Å; W36-C40 PolarHBondContact O-N 3.37Å; R37-C40 PolarHBondContact O-N 3.49Å; K38-C40 VanDerWaalsContact C-N 3.35Å; C40-F43 PolarHBondContact O-N 3.11Å; C40-F44 VanDerWaalsContact O-CB 3.31Å; C40-F44 WeakPolarHBondContact O-CB 3.43Å; C40-F44 PolarHBondContact O-N 2.84Å
41L83.3Confident77.2Confident97 Ų97118.7 Ų118.751%0.50858%0.577SS.*Hα-helixtrans-66.7-43.1176.8-172.6147.3000112.4R37 K38 F44 I45R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 2.63Å; K38-L41 PolarHBondContact O-N 3.16Å; L41-F44 PolarHBondContact O-N 2.88Å; L41-I45 HydrophobicContact CD2-CD1 3.48Å; L41-I45 VanDerWaalsContact CD2-CD1 3.48Å; L41-I45 HydrophobicContact CD2-CG1 4.31Å; L41-I45 HydrophobicContact CG-CD1 4.39Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.22Å
42Y83.9Confident79.4Confident155 Ų155117 Ų11761%0.60856%0.562SS**Hα-helixtrans-66.3-37.9174.2-70.7-61.7000112.4K38 R39 F44 I45 L46K38-Y42 HydrophobicContact CB-CD2 4.41Å; K38-Y42 HydrophobicContact CB-CE2 4.17Å; K38-Y42 WeakPolarHBondContact O-CD2 3.49Å; K38-Y42 PolarHBondContact O-N 3.39Å; R39-Y42 PolarHBondContact O-N 3.27Å; Y42-F44 VanDerWaalsContact C-N 3.35Å; Y42-I45 PolarHBondContact O-N 2.76Å; Y42-L46 VanDerWaalsContact O-CB 3.22Å; Y42-L46 WeakPolarHBondContact O-CB 3.48Å; Y42-L46 PolarHBondContact O-N 2.97Å
43F87.6Confident81.4Confident133 Ų133118.5 Ų118.558%0.58355%0.554SS**Hα-helixtrans-63.8-41.4173.3-179.4-98.7000111.4R39 C40 L46 L47R39-F43 VanDerWaalsContact O-CB 3.23Å; R39-F43 WeakPolarHBondContact O-CB 3.18Å; R39-F43 PolarHBondContact O-N 2.87Å; C40-F43 PolarHBondContact O-N 3.11Å; F43-L46 PolarHBondContact O-N 2.91Å; F43-L47 HydrophobicContact CE1-CD1 4.18Å; F43-L47 VanDerWaalsContact O-CB 3.32Å; F43-L47 WeakPolarHBondContact O-CB 3.36Å; F43-L47 PolarHBondContact O-N 2.83Å
44F89.6Confident83.7Confident119 Ų119116.9 Ų116.952%0.52255%0.549SS..Hα-helixtrans-65.1-44.4175.6-177.1-104.7000112.2C40 L41 Y42 L46 L47 L48C40-F44 VanDerWaalsContact O-CB 3.31Å; C40-F44 WeakPolarHBondContact O-CB 3.43Å; C40-F44 PolarHBondContact O-N 2.84Å; L41-F44 PolarHBondContact O-N 2.88Å; Y42-F44 VanDerWaalsContact C-N 3.35Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.83Å; F44-L47 PolarHBondContact O-N 2.03Å; F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CD1-CG 4.44Å; F44-L48 HydrophobicContact CE1-CD1 3.44Å; F44-L48 VanDerWaalsContact CE1-CD1 3.44Å; F44-L48 HydrophobicContact CE1-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.91Å; F44-L48 HydrophobicContact CZ-CD2 4.42Å; F44-L48 HydrophobicContact CZ-CG 4.22Å; F44-L48 WeakPolarHBondContact O-CB 3.06Å; F44-L48 WeakPolarHBondContact O-CG 3.41Å; F44-L48 PolarHBondContact O-N 3.08Å
45I89.8Confident85.5Confident90 Ų90110.6 Ų110.646%0.46253%0.531SS..Hα-helixtrans-62.6-41.3174-69.7174.2000111.1L41 Y42 L48 L49L41-I45 HydrophobicContact CD2-CD1 3.48Å; L41-I45 VanDerWaalsContact CD2-CD1 3.48Å; L41-I45 HydrophobicContact CD2-CG1 4.31Å; L41-I45 HydrophobicContact CG-CD1 4.39Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.22Å; Y42-I45 PolarHBondContact O-N 2.76Å; I45-L48 PolarHBondContact O-N 3.4Å; I45-L49 WeakPolarHBondContact O-CB 3.01Å; I45-L49 PolarHBondContact O-N 3.15Å
46L90.8Very high87Confident101 Ų101113.2 Ų113.253%0.52954%0.537SS..Hα-helixtrans-65.3-41.7176.6-179.3137.9000111.4Y42 F43 F44 L49 V50Y42-L46 VanDerWaalsContact O-CB 3.22Å; Y42-L46 WeakPolarHBondContact O-CB 3.48Å; Y42-L46 PolarHBondContact O-N 2.97Å; F43-L46 PolarHBondContact O-N 2.91Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.83Å; L46-L49 PolarHBondContact O-N 3.19Å; L46-V50 HydrophobicContact CD2-CG2 4.35Å; L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.27Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 3.38Å
47L92.2Very high88.4Confident79 Ų79105.5 Ų105.541%0.41452%0.52SS..Hα-helixtrans-61-46.8174-167.4163000110.1F43 F44 L49 V50 T51F43-L47 HydrophobicContact CE1-CD1 4.18Å; F43-L47 VanDerWaalsContact O-CB 3.32Å; F43-L47 WeakPolarHBondContact O-CB 3.36Å; F43-L47 PolarHBondContact O-N 2.83Å; F44-L47 PolarHBondContact O-N 2.03Å; L47-L49 PolarHBondContact O-N 3.12Å; L47-V50 PolarHBondContact O-N 2.97Å; L47-T51 HydrophobicContact CD2-CG2 3.74Å; L47-T51 WeakPolarHBondContact O-CG2 3.47Å; L47-T51 PolarHBondContact O-N 1.99Å; L47-T51 PolarHBondContact O-OG1 2.77Å
48L91.3Very high89.5Confident84 Ų8499.5 Ų99.544%0.4450%0.504SS..Hα-helixtrans-58.6-44.7174.6-74.5178.9000112.1F44 I45 V50 T51 M52F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CD1-CG 4.44Å; F44-L48 HydrophobicContact CE1-CD1 3.44Å; F44-L48 VanDerWaalsContact CE1-CD1 3.44Å; F44-L48 HydrophobicContact CE1-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.91Å; F44-L48 HydrophobicContact CZ-CD2 4.42Å; F44-L48 HydrophobicContact CZ-CG 4.22Å; F44-L48 WeakPolarHBondContact O-CB 3.06Å; F44-L48 WeakPolarHBondContact O-CG 3.41Å; F44-L48 PolarHBondContact O-N 3.08Å; I45-L48 PolarHBondContact O-N 3.4Å; L48-V50 PolarHBondContact O-N 3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 2.82Å; L48-T51 PolarHBondContact O-OG1 3.11Å; L48-M52 WeakPolarHBondContact O-CB 3.01Å; L48-M52 PolarHBondContact O-N 3.44Å
49L93.7Very high90.4Very high102 Ų10296.7 Ų96.753%0.53450%0.497SS..Hα-helixtrans-60.9-45.5176.4-176.170.9000111.5I45 L46 L47 M52 I53I45-L49 WeakPolarHBondContact O-CB 3.01Å; I45-L49 PolarHBondContact O-N 3.15Å; L46-L49 PolarHBondContact O-N 3.19Å; L47-L49 PolarHBondContact O-N 3.12Å; L49-M52 WeakPolarHBondContact O-CB 3.3Å; L49-M52 PolarHBondContact O-N 3.21Å; L49-I53 HydrophobicContact CG-CD1 4.07Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 2.98Å; L49-I53 PolarHBondContact O-N 2.91Å
50V95.6Very high90.9Very high75 Ų7593 Ų9346%0.45549%0.49SS..Hα-helixtrans-62.5-45.5177170.80000110.5L46 L47 L48 M52 I53 V54L46-V50 HydrophobicContact CD2-CG2 4.35Å; L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.27Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 3.38Å; L47-V50 PolarHBondContact O-N 2.97Å; L48-V50 PolarHBondContact O-N 3Å; V50-M52 VanDerWaalsContact C-N 3.29Å; V50-M52 PolarHBondContact O-N 3.2Å; V50-I53 PolarHBondContact O-N 2.91Å; V50-V54 HydrophobicContact CG1-CG2 4.35Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 2.9Å
51T92.9Very high91.5Very high56 Ų5696.9 Ų96.934%0.34449%0.493SS..Hα-helixtrans-62-37.4176.158.90000111.9L47 L48 V54 N55L47-T51 HydrophobicContact CD2-CG2 3.74Å; L47-T51 WeakPolarHBondContact O-CG2 3.47Å; L47-T51 PolarHBondContact O-N 1.99Å; L47-T51 PolarHBondContact O-OG1 2.77Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 2.82Å; L48-T51 PolarHBondContact O-OG1 3.11Å; T51-V54 PolarHBondContact O-N 3Å; T51-N55 VanDerWaalsContact O-CB 3.27Å; T51-N55 WeakPolarHBondContact O-CB 2.91Å; T51-N55 PolarHBondContact O-N 3.1Å; T51-N55 PolarHBondContact O-ND2 3.37Å; T51-N55 VanDerWaalsContact O-ND2 3.08Å
52M94.8Very high91.8Very high106 Ų10696 Ų9652%0.52249%0.489SS..Hα-helixtrans-64.1-45175.3-174.8-83.216100111.4L48 L49 V50 N55 L56L48-M52 WeakPolarHBondContact O-CB 3.01Å; L48-M52 PolarHBondContact O-N 3.44Å; L49-M52 WeakPolarHBondContact O-CB 3.3Å; L49-M52 PolarHBondContact O-N 3.21Å; V50-M52 VanDerWaalsContact C-N 3.29Å; V50-M52 PolarHBondContact O-N 3.2Å; M52-N55 PolarHBondContact O-N 3.35Å; M52-L56 HydrophobicContact CE-CB 4.34Å; M52-L56 HydrophobicContact CE-CD2 4.31Å; M52-L56 WeakPolarHBondContact O-CB 3.37Å; M52-L56 PolarHBondContact O-N 3.06Å
53I95.5Very high91.8Very high95 Ų9592.9 Ų92.949%0.48748%0.482SS..Hα-helixtrans-63.7-44.4177.4-67.4166.5000110.9L49 V50 L56 A57L49-I53 HydrophobicContact CG-CD1 4.07Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 2.98Å; L49-I53 PolarHBondContact O-N 2.91Å; V50-I53 PolarHBondContact O-N 2.91Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-A57 WeakPolarHBondContact O-CB 3.37Å; I53-A57 PolarHBondContact O-N 3.08Å
54V96Very high91.7Very high82 Ų8294.7 Ų94.750%0.49749%0.489SS..Hα-helixtrans-62.3-44.9177171.10000110.6V50 T51 L56 A57 L58V50-V54 HydrophobicContact CG1-CG2 4.35Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 2.9Å; T51-V54 PolarHBondContact O-N 3Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.12Å; V54-A57 PolarHBondContact O-N 3.04Å; V54-L58 VanDerWaalsContact O-CB 3.28Å; V54-L58 WeakPolarHBondContact O-CB 3.35Å; V54-L58 PolarHBondContact O-N 3.32Å
55N92.6Very high91.6Very high97 Ų9793.5 Ų93.552%0.51949%0.492SS..Hα-helixtrans-62.1-40.1176.6-73-27.9000111.6T51 M52 L58 T59T51-N55 VanDerWaalsContact O-CB 3.27Å; T51-N55 WeakPolarHBondContact O-CB 2.91Å; T51-N55 PolarHBondContact O-N 3.1Å; T51-N55 PolarHBondContact O-ND2 3.37Å; T51-N55 VanDerWaalsContact O-ND2 3.08Å; M52-N55 PolarHBondContact O-N 3.35Å; N55-L58 PolarHBondContact O-N 3.25Å; N55-T59 VanDerWaalsContact O-CG2 3.3Å; N55-T59 WeakPolarHBondContact O-CG2 3.38Å; N55-T59 PolarHBondContact O-N 3.39Å; N55-T59 PolarHBondContact O-OG1 3.06Å
56L93.8Very high91.1Very high86 Ų8693.8 Ų93.845%0.4549%0.492SS..Hα-helixtrans-66.5-42.1175.3-176.667.2000112.3M52 I53 V54 L58 T59 I60M52-L56 HydrophobicContact CE-CB 4.34Å; M52-L56 HydrophobicContact CE-CD2 4.31Å; M52-L56 WeakPolarHBondContact O-CB 3.37Å; M52-L56 PolarHBondContact O-N 3.06Å; I53-L56 PolarHBondContact O-N 3.34Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.12Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.08Å; L56-T59 WeakPolarHBondContact CA-OG1 3.3Å; L56-T59 PolarHBondContact O-N 3.25Å; L56-T59 PolarHBondContact O-OG1 3.32Å; L56-I60 HydrophobicContact CD1-CD1 4.31Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.12Å; L56-I60 PolarHBondContact O-N 3.14Å
57A93.9Very high90.5Very high58 Ų5893.5 Ų93.548%0.47949%0.491SS..Hα-helixtrans-64.1-41176.600000111.1I53 V54 I60 W61I53-A57 WeakPolarHBondContact O-CB 3.37Å; I53-A57 PolarHBondContact O-N 3.08Å; V54-A57 PolarHBondContact O-N 3.04Å; A57-I60 PolarHBondContact O-N 2.7Å; A57-W61 VanDerWaalsContact O-CB 3.26Å; A57-W61 WeakPolarHBondContact O-CB 3.38Å; A57-W61 PolarHBondContact O-N 3.37Å
58L93.6Very high89.8Confident85 Ų8594.1 Ų94.145%0.44549%0.491SS..Hα-helixtrans-66.6-39.9177.8-172137.5000111.7V54 N55 L56 W61 I62V54-L58 VanDerWaalsContact O-CB 3.28Å; V54-L58 WeakPolarHBondContact O-CB 3.35Å; V54-L58 PolarHBondContact O-N 3.32Å; N55-L58 PolarHBondContact O-N 3.25Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.08Å; L58-W61 PolarHBondContact O-N 3.39Å; L58-I62 HydrophobicContact CD2-CD1 3.55Å; L58-I62 HydrophobicContact CD2-CG1 4.43Å; L58-I62 HydrophobicContact CG-CD1 4.33Å; L58-I62 VanDerWaalsContact O-CG1 3.31Å; L58-I62 WeakPolarHBondContact O-CG1 3.3Å; L58-I62 PolarHBondContact O-N 2.8Å
59T90.6Very high88.9Confident69 Ų6992.4 Ų92.442%0.42348%0.484SS..Hα-helixtrans-66.1-45.3175.254.20000112N55 L56 W61 I62 L63N55-T59 VanDerWaalsContact O-CG2 3.3Å; N55-T59 WeakPolarHBondContact O-CG2 3.38Å; N55-T59 PolarHBondContact O-N 3.39Å; N55-T59 PolarHBondContact O-OG1 3.06Å; L56-T59 WeakPolarHBondContact CA-OG1 3.3Å; L56-T59 PolarHBondContact O-N 3.25Å; L56-T59 PolarHBondContact O-OG1 3.32Å; T59-W61 VanDerWaalsContact C-N 3.27Å; T59-W61 PolarHBondContact O-N 3.04Å; T59-I62 PolarHBondContact O-N 3.48Å; T59-L63 VanDerWaalsContact O-CG 3.3Å; T59-L63 WeakPolarHBondContact O-CG 3.19Å; T59-L63 PolarHBondContact O-N 3.48Å
60I89.6Confident88Confident103 Ų10393.9 Ų93.953%0.52850%0.5SS..Hα-helixtrans-61-40.3175.7-66.8168.9000110.7L56 A57 L63 K64L56-I60 HydrophobicContact CD1-CD1 4.31Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.12Å; L56-I60 PolarHBondContact O-N 3.14Å; A57-I60 PolarHBondContact O-N 2.7Å; I60-L63 PolarHBondContact O-N 2.77Å; I60-K64 PolarHBondContact O-N 3.44Å
61W90.3Very high86.8Confident162 Ų16295.2 Ų95.261%0.61450%0.504SS*.Hα-helixtrans-64.6-45.9177.6178.756.8000112.4A57 L58 T59 L63 K64 V65A57-W61 VanDerWaalsContact O-CB 3.26Å; A57-W61 WeakPolarHBondContact O-CB 3.38Å; A57-W61 PolarHBondContact O-N 3.37Å; L58-W61 PolarHBondContact O-N 3.39Å; T59-W61 VanDerWaalsContact C-N 3.27Å; T59-W61 PolarHBondContact O-N 3.04Å; W61-L63 VanDerWaalsContact C-N 3.33Å; W61-L63 PolarHBondContact O-N 2.74Å; W61-K64 PolarHBondContact O-N 3.23Å; W61-V65 HydrophobicContact CD2-CG2 4.41Å; W61-V65 HydrophobicContact CG-CG2 4.43Å; W61-V65 HydrophobicContact CZ2-CG2 4.34Å; W61-V65 WeakPolarHBondContact O-CG2 3.05Å; W61-V65 PolarHBondContact O-N 2.97Å
62I88.9Confident86Confident80 Ų8092.9 Ų92.941%0.4149%0.491SS..Hα-helixtrans-58.6-45.9174.9-71.1170.2000110.6L58 T59 K64 V65 M66L58-I62 HydrophobicContact CD2-CD1 3.55Å; L58-I62 HydrophobicContact CD2-CG1 4.43Å; L58-I62 HydrophobicContact CG-CD1 4.33Å; L58-I62 VanDerWaalsContact O-CG1 3.31Å; L58-I62 WeakPolarHBondContact O-CG1 3.3Å; L58-I62 PolarHBondContact O-N 2.8Å; T59-I62 PolarHBondContact O-N 3.48Å; I62-K64 VanDerWaalsContact C-N 3.28Å; I62-K64 PolarHBondContact O-N 3.46Å; I62-V65 PolarHBondContact O-N 3.36Å; I62-M66 HydrophobicContact CG2-CG 4.08Å; I62-M66 VanDerWaalsContact O-CB 3.3Å; I62-M66 WeakPolarHBondContact O-CB 3.41Å; I62-M66 WeakPolarHBondContact O-CG 3.12Å; I62-M66 PolarHBondContact O-N 3Å
63L85.8Confident85.4Confident88 Ų8891.7 Ų91.746%0.46149%0.486SS..Hα-helixtrans-58.6-41.6178.2-70.8172.8000111.8T59 I60 W61 N67 F68T59-L63 VanDerWaalsContact O-CG 3.3Å; T59-L63 WeakPolarHBondContact O-CG 3.19Å; T59-L63 PolarHBondContact O-N 3.48Å; I60-L63 PolarHBondContact O-N 2.77Å; W61-L63 VanDerWaalsContact C-N 3.33Å; W61-L63 PolarHBondContact O-N 2.74Å; L63-N67 PolarHBondContact O-N 3.06Å; L63-F68 HydrophobicContact CB-CB 4.49Å; L63-F68 HydrophobicContact CD2-CB 4Å; L63-F68 HydrophobicContact CD2-CD2 3.95Å; L63-F68 HydrophobicContact CD2-CG 4.07Å; L63-F68 PolarHBondContact O-N 3.31Å
64K85.3Confident84.7Confident171 Ų17188.1 Ų88.174%0.74347%0.472SS*.Hα-helixtrans-66.5-46.4176.4-173.6-173.9177.91710112.3I60 W61 I62 N67I60-K64 PolarHBondContact O-N 3.44Å; W61-K64 PolarHBondContact O-N 3.23Å; I62-K64 VanDerWaalsContact C-N 3.28Å; I62-K64 PolarHBondContact O-N 3.46Å; K64-N67 PolarHBondContact O-N 3.06Å; K64-N67 VanDerWaalsContact O-N 3.16Å
65V85.8Confident84Confident94 Ų9487.8 Ų87.857%0.5747%0.467SS*.Hα-helixtrans-65.8-40.4-178169.90000111.4W61 I62 N67W61-V65 HydrophobicContact CD2-CG2 4.41Å; W61-V65 HydrophobicContact CG-CG2 4.43Å; W61-V65 HydrophobicContact CZ2-CG2 4.34Å; W61-V65 WeakPolarHBondContact O-CG2 3.05Å; W61-V65 PolarHBondContact O-N 2.97Å; I62-V65 PolarHBondContact O-N 3.36Å; V65-N67 PolarHBondContact O-N 3.16Å
66M80.1Confident83.6Confident97 Ų9786.4 Ų86.448%0.47846%0.46SS..THydrogen-bonded Turntrans-76.23.6176.4-67.4-62.7-61.900113.3I62 F68I62-M66 HydrophobicContact CG2-CG 4.08Å; I62-M66 VanDerWaalsContact O-CB 3.3Å; I62-M66 WeakPolarHBondContact O-CB 3.41Å; I62-M66 WeakPolarHBondContact O-CG 3.12Å; I62-M66 PolarHBondContact O-N 3Å; M66-F68 HydrophobicContact CB-CD2 3.44Å; M66-F68 VanDerWaalsContact CB-CD2 3.44Å; M66-F68 HydrophobicContact CB-CE2 3.56Å; M66-F68 HydrophobicContact CG-CD2 4.46Å; M66-F68 HydrophobicContact CG-CE2 4.23Å; M66-F68 PolarHBondContact O-N 3.22Å
67N78Confident83.1Confident95 Ų9586.1 Ų86.151%0.50845%0.452SS..THydrogen-bonded Turntrans51.741.4-179.7-156.96.8000112.9L63 K64 V65 T69 G74L63-N67 PolarHBondContact O-N 3.06Å; K64-N67 PolarHBondContact O-N 3.06Å; K64-N67 VanDerWaalsContact O-N 3.16Å; V65-N67 PolarHBondContact O-N 3.16Å; N67-T69 PolarHBondContact O-N 2.88Å; N67-G74 PolarHBondContact O-N 3.36Å; N67-G74 VanDerWaalsContact O-N 3.12Å
68F77Confident82.5Confident91 Ų9188.1 Ų88.140%0.39946%0.459SS..EExtended strand (participates in β ladder)trans-74.9111.1172-83-79.9000109.3L63 M66 M73L63-F68 HydrophobicContact CB-CB 4.49Å; L63-F68 HydrophobicContact CD2-CB 4Å; L63-F68 HydrophobicContact CD2-CD2 3.95Å; L63-F68 HydrophobicContact CD2-CG 4.07Å; L63-F68 PolarHBondContact O-N 3.31Å; M66-F68 HydrophobicContact CB-CD2 3.44Å; M66-F68 VanDerWaalsContact CB-CD2 3.44Å; M66-F68 HydrophobicContact CB-CE2 3.56Å; M66-F68 HydrophobicContact CG-CD2 4.46Å; M66-F68 HydrophobicContact CG-CE2 4.23Å; M66-F68 PolarHBondContact O-N 3.22Å; F68-M73 HydrophobicContact CD1-CB 4.01Å; F68-M73 HydrophobicContact CD1-CG 4Å; F68-M73 HydrophobicContact CD2-CG 4.46Å; F68-M73 HydrophobicContact CE1-CB 3.84Å; F68-M73 HydrophobicContact CE1-CE 3.37Å; F68-M73 HydrophobicContact CE1-CG 3.68Å; F68-M73 HydrophobicContact CE1-SD 4.13Å; F68-M73 HydrophobicContact CE2-CE 4.26Å; F68-M73 HydrophobicContact CE2-CG 4.13Å; F68-M73 HydrophobicContact CE2-SD 4.32Å; F68-M73 HydrophobicContact CG-CG 4.4Å; F68-M73 HydrophobicContact CZ-CB 4.41Å; F68-M73 HydrophobicContact CZ-CE 3.19Å; F68-M73 HydrophobicContact CZ-CG 3.75Å; F68-M73 HydrophobicContact CZ-SD 3.76Å
69T72.9Confident82Confident49 Ų4987 Ų8730%0.30146%0.456SS..EExtended strand (participates in β ladder)trans-100.5153.1168.8-45.10000107.6N67 D71 G72N67-T69 PolarHBondContact O-N 2.88Å; T69-D71 HydrophobicContact CG2-CB 4.3Å; T69-D71 PolarHBondContact O-N 3.17Å; T69-G72 PolarHBondContact N-O 2.84Å; T69-G72 PolarHBondContact O-N 3.37Å
70P74.4Confident81.6Confident133 Ų13394.3 Ų94.386%0.86448%0.481SS*.THydrogen-bonded Turntrans-51-23.9167.114-27.9000113.7
71D71.3Confident81.1Confident103 Ų10398.7 Ų98.755%0.55150%0.5SS*.THydrogen-bonded Turntrans-89.2-3.5177.3-54.1-47.5000114.7T69 R77 V78T69-D71 HydrophobicContact CG2-CB 4.3Å; T69-D71 PolarHBondContact O-N 3.17Å; D71-R77 CarbonylContact O-C 3.56Å; D71-R77 VanDerWaalsContact O-CA 3.29Å; D71-R77 WeakPolarHBondContact O-CA 3.49Å; D71-V78 PolarHBondContact O-N 2.76Å
72G76.5Confident80.7Confident7 Ų792.6 Ų92.67%0.07249%0.487CS..EExtended strand (participates in β ladder)trans151.2-169176.700000116.8T69 L76T69-G72 PolarHBondContact N-O 2.84Å; T69-G72 PolarHBondContact O-N 3.37Å; G72-L76 CarbonylContact C-O 3.56Å; G72-L76 VanDerWaalsContact CA-O 3.25Å; G72-L76 WeakPolarHBondContact CA-O 3.44Å
73M80.8Confident80.4Confident81 Ų8195.1 Ų95.140%0.39950%0.5SS..EExtended strand (participates in β ladder)trans-115.4110.5-179.2-169-163.3-49.400110.2F68 N75 L76F68-M73 HydrophobicContact CD1-CB 4.01Å; F68-M73 HydrophobicContact CD1-CG 4Å; F68-M73 HydrophobicContact CD2-CG 4.46Å; F68-M73 HydrophobicContact CE1-CB 3.84Å; F68-M73 HydrophobicContact CE1-CE 3.37Å; F68-M73 HydrophobicContact CE1-CG 3.68Å; F68-M73 HydrophobicContact CE1-SD 4.13Å; F68-M73 HydrophobicContact CE2-CE 4.26Å; F68-M73 HydrophobicContact CE2-CG 4.13Å; F68-M73 HydrophobicContact CE2-SD 4.32Å; F68-M73 HydrophobicContact CG-CG 4.4Å; F68-M73 HydrophobicContact CZ-CB 4.41Å; F68-M73 HydrophobicContact CZ-CE 3.19Å; F68-M73 HydrophobicContact CZ-CG 3.75Å; F68-M73 HydrophobicContact CZ-SD 3.76Å; M73-N75 PolarHBondContact O-N 2.63Å; M73-L76 PolarHBondContact N-O 3.04Å; M73-L76 WeakPolarHBondContact O-CB 3.48Å; M73-L76 PolarHBondContact O-N 2.88Å
74G80.6Confident80.3Confident19 Ų1997.9 Ų97.920%0.19650%0.504CS..THydrogen-bonded Turntrans58.3-120.9-179.800000112.9N67 L76N67-G74 PolarHBondContact O-N 3.36Å; N67-G74 VanDerWaalsContact O-N 3.12Å; G74-L76 VanDerWaalsContact C-N 3.33Å
75N82.6Confident80.3Confident76 Ų7692.9 Ų92.941%0.40649%0.485SS..THydrogen-bonded Turntrans-80.6-11.9176.7-72.9-8.2000113.1M73 L85 E86 V88M73-N75 PolarHBondContact O-N 2.63Å; N75-L85 HydrophobicContact CB-CD1 4.06Å; N75-L85 WeakPolarHBondContact O-CA 3.31Å; N75-E86 WeakPolarHBondContact CB-O 3.47Å; N75-E86 PolarHBondContact O-N 3.19Å; N75-E86 PolarHBondContact OD1-O 3.36Å; N75-V88 PolarHBondContact ND2-O 2.84Å
76L84.2Confident80.1Confident68 Ų6892.5 Ų92.536%0.35648%0.477SS..EExtended strand (participates in β ladder)trans-84.3119.9174.7-68.7160.8000109.1G72 M73 G74 I83 L85G72-L76 CarbonylContact C-O 3.56Å; G72-L76 VanDerWaalsContact CA-O 3.25Å; G72-L76 WeakPolarHBondContact CA-O 3.44Å; M73-L76 PolarHBondContact N-O 3.04Å; M73-L76 WeakPolarHBondContact O-CB 3.48Å; M73-L76 PolarHBondContact O-N 2.88Å; G74-L76 VanDerWaalsContact C-N 3.33Å; L76-I83 HydrophobicContact CD2-CG2 3.58Å; L76-L85 HydrophobicContact CB-CD1 4.36Å; L76-L85 HydrophobicContact CD2-CB 4.06Å; L76-L85 HydrophobicContact CD2-CD1 3.25Å; L76-L85 HydrophobicContact CD2-CG 4.18Å; L76-L85 HydrophobicContact CG-CD1 3.45Å; L76-L85 VanDerWaalsContact CG-CD1 3.45Å
77R82.2Confident80.2Confident79 Ų7990.8 Ų90.830%0.29849%0.485SS..EExtended strand (participates in β ladder)trans-105.3135.2171.4-60.8-63.2-178-157.7-3.7109.7D71 R84D71-R77 CarbonylContact O-C 3.56Å; D71-R77 VanDerWaalsContact O-CA 3.29Å; D71-R77 WeakPolarHBondContact O-CA 3.49Å; R77-R84 HydrophobicContact CB-CB 4.47Å; R77-R84 PolarHBondContact N-O 3.23Å; R77-R84 PolarHBondContact O-N 3.21Å
78V83Confident80.4Confident101 Ų10192.9 Ų92.961%0.61250%0.5SS*.EExtended strand (participates in β ladder)trans-98.6110.2175.1-176.30000107.6D71D71-V78 PolarHBondContact O-N 2.76Å
79T82.3Confident80.7Confident62 Ų6290.8 Ų90.838%0.3850%0.497SS..EExtended strand (participates in β ladder)trans-103.7169.9176.370.70000109.9E81 G82 R84T79-E81 PolarHBondContact O-N 3.39Å; T79-E81 PolarHBondContact OG1-N 2.85Å; T79-G82 PolarHBondContact N-O 2.64Å; T79-G82 PolarHBondContact O-N 3.46Å; T79-G82 VanDerWaalsContact O-O 3.09Å; T79-G82 PolarHBondContact OG1-N 2.85Å; T79-G82 PolarHBondContact OG1-O 2.74Å; T79-R84 HydrophobicContact CG2-CB 4.26Å
80K81.7Confident81.3Confident222 Ų22296.8 Ų96.897%0.96552%0.522SS*.THydrogen-bonded Turntrans-62.8-21.4175.4-63.8-179-178.5177.50113.1
81E78.8Confident81.7Confident195 Ų19595.8 Ų95.891%0.91150%0.504SS*.THydrogen-bonded Turntrans-93.3-12.7-177.9-64.8174-176.100112.5T79T79-E81 PolarHBondContact O-N 3.39Å; T79-E81 PolarHBondContact OG1-N 2.85Å
82G81.6Confident82.5Confident34 Ų3498.9 Ų98.935%0.35152%0.52SS..EExtended strand (participates in β ladder)trans146-146.4178.200000113.3T79T79-G82 PolarHBondContact N-O 2.64Å; T79-G82 PolarHBondContact O-N 3.46Å; T79-G82 VanDerWaalsContact O-O 3.09Å; T79-G82 PolarHBondContact OG1-N 2.85Å; T79-G82 PolarHBondContact OG1-O 2.74Å
83I82.9Confident83.1Confident132 Ų132105.2 Ų105.268%0.67755%0.551SS**EExtended strand (participates in β ladder)trans-104124.5179.6-58.1173.1000108.1L76L76-I83 HydrophobicContact CD2-CG2 3.58Å
84R83.4Confident83.4Confident147 Ų147105.9 Ų105.956%0.55556%0.561SS**EExtended strand (participates in β ladder)trans-113.8121177.3178.5170.8166.2151.4-7.3109.2R77 T79 E86R77-R84 HydrophobicContact CB-CB 4.47Å; R77-R84 PolarHBondContact N-O 3.23Å; R77-R84 PolarHBondContact O-N 3.21Å; T79-R84 HydrophobicContact CG2-CB 4.26Å; R84-E86 HydrophobicContact CG-CG 3.98Å; R84-E86 IonicContact CZ-OE1 3.1Å; R84-E86 IonicContact NE-OE1 2.71Å; R84-E86 PolarHBondContact NE-OE1 2.81Å; R84-E86 IonicContact NH2-OE1 2.75Å; R84-E86 PolarHBondContact NH2-OE1 2.91Å
85L85.2Confident83.7Confident66 Ų66110 Ų11035%0.34658%0.578SS.*EExtended strand (participates in β ladder)trans-98.9117.6178.3-173.769.1000110N75 L76 S89 F91N75-L85 HydrophobicContact CB-CD1 4.06Å; N75-L85 WeakPolarHBondContact O-CA 3.31Å; L76-L85 HydrophobicContact CB-CD1 4.36Å; L76-L85 HydrophobicContact CD2-CB 4.06Å; L76-L85 HydrophobicContact CD2-CD1 3.25Å; L76-L85 HydrophobicContact CD2-CG 4.18Å; L76-L85 HydrophobicContact CG-CD1 3.45Å; L76-L85 VanDerWaalsContact CG-CD1 3.45Å; L85-S89 WeakPolarHBondContact CD1-OG 3.47Å; L85-S89 VanDerWaalsContact CD2-CB 3.43Å; L85-S89 VanDerWaalsContact CD2-OG 3.25Å; L85-S89 WeakPolarHBondContact CD2-OG 3.34Å; L85-S89 VanDerWaalsContact CG-OG 3.23Å; L85-S89 WeakPolarHBondContact CG-OG 3.36Å; L85-F91 HydrophobicContact CD2-CE1 4.4Å; L85-F91 HydrophobicContact CD2-CE2 4.14Å; L85-F91 HydrophobicContact CD2-CZ 3.51Å
86E82.8Confident83.9Confident86 Ų86114.3 Ų114.340%0.40259%0.59SS.*  trans-115.7107.5-178.5-59.2-167.414300110.5N75 R84N75-E86 WeakPolarHBondContact CB-O 3.47Å; N75-E86 PolarHBondContact O-N 3.19Å; N75-E86 PolarHBondContact OD1-O 3.36Å; R84-E86 HydrophobicContact CG-CG 3.98Å; R84-E86 IonicContact CZ-OE1 3.1Å; R84-E86 IonicContact NE-OE1 2.71Å; R84-E86 PolarHBondContact NE-OE1 2.81Å; R84-E86 IonicContact NH2-OE1 2.75Å; R84-E86 PolarHBondContact NH2-OE1 2.91Å
87G81.8Confident84.1Confident61 Ų61114.6 Ų114.663%0.62959%0.594SS**SBendtrans115.9-167.1176.400000113.5
88V83.3Confident84.3Confident138 Ų138121.1 Ų121.184%0.83663%0.625SS**  trans-73.6130.4-179.3-177.10000109.3N75N75-V88 PolarHBondContact ND2-O 2.84Å
89S82.9Confident84.5Confident48 Ų48122.7 Ų122.734%0.33663%0.626SS.*  trans-145.8150-177.5-52.80000110.6L85L85-S89 WeakPolarHBondContact CD1-OG 3.47Å; L85-S89 VanDerWaalsContact CD2-CB 3.43Å; L85-S89 VanDerWaalsContact CD2-OG 3.25Å; L85-S89 WeakPolarHBondContact CD2-OG 3.34Å; L85-S89 VanDerWaalsContact CG-OG 3.23Å; L85-S89 WeakPolarHBondContact CG-OG 3.36Å
90E84.3Confident84.8Confident175 Ų175124.3 Ų124.382%0.81863%0.631SS**  trans-118.7139.2179.7-172.3176.3-17900109.1
91F84.5Confident85Confident112 Ų112120.4 Ų120.449%0.49162%0.616SS.*  trans-117.8124.3177.4-60.8-85.5000108.7L85 L93 L95L85-F91 HydrophobicContact CD2-CE1 4.4Å; L85-F91 HydrophobicContact CD2-CE2 4.14Å; L85-F91 HydrophobicContact CD2-CZ 3.51Å; F91-L93 VanDerWaalsContact C-N 3.25Å; F91-L93 PolarHBondContact O-N 3.07Å; F91-L95 HydrophobicContact CD1-CD1 4.02Å; F91-L95 HydrophobicContact CE1-CD1 3.72Å; F91-L95 HydrophobicContact CE2-CD1 4.39Å; F91-L95 HydrophobicContact CG-CD1 4.47Å; F91-L95 HydrophobicContact CZ-CD1 3.9Å
92L87.6Confident85.5Confident167 Ų167113.5 Ų113.587%0.87459%0.59SS**SBendtrans-74.4-19.4177.3-64.4173.6000112.8
93L88.8Confident85.7Confident141 Ų141121.8 Ų121.874%0.73861%0.61SS**SBendtrans-126.8160.3-175.5-68174.2000110.1F91 L95F91-L93 VanDerWaalsContact C-N 3.25Å; F91-L93 PolarHBondContact O-N 3.07Å; L93-L95 PolarHBondContact O-N 2.92Å
94P86.3Confident85.6Confident94 Ų94126.9 Ų126.961%0.6162%0.621SS**PPolyproline II helixtrans-54.4135.3175.7-25.234.5000112.1Y96P94-Y96 HydrophobicContact CB-CE2 4.08Å; P94-Y96 WeakPolarHBondContact O-CD2 3.49Å
95L87.7Confident85.5Confident106 Ų106128.3 Ų128.356%0.55564%0.64SS**PPolyproline II helixtrans-85.1122.1176.5-170.974.2000109.6F91 L93 V97F91-L95 HydrophobicContact CD1-CD1 4.02Å; F91-L95 HydrophobicContact CE1-CD1 3.72Å; F91-L95 HydrophobicContact CE2-CD1 4.39Å; F91-L95 HydrophobicContact CG-CD1 4.47Å; F91-L95 HydrophobicContact CZ-CD1 3.9Å; L93-L95 PolarHBondContact O-N 2.92Å; L95-V97 HydrophobicContact CD2-CG1 3.78Å; L95-V97 HydrophobicContact CG-CG1 3.85Å
96Y87.4Confident85.6Confident166 Ų166127 Ų12765%0.65164%0.636SS**PPolyproline II helixtrans-101.7122.6173.8-64.5-90.8000109.2P94P94-Y96 HydrophobicContact CB-CE2 4.08Å; P94-Y96 WeakPolarHBondContact O-CD2 3.49Å
97V88.1Confident85.8Confident74 Ų74127.7 Ų127.745%0.44865%0.648SS.*  trans-136.7146.6-175.6-71.10000109.6L95 I100L95-V97 HydrophobicContact CD2-CG1 3.78Å; L95-V97 HydrophobicContact CG-CG1 3.85Å; V97-I100 HydrophobicContact CB-CG1 4.45Å; V97-I100 HydrophobicContact CG2-CD1 3.74Å; V97-I100 HydrophobicContact CG2-CG1 3.37Å
98K85.8Confident86.2Confident217 Ų217129 Ų12994%0.94364%0.64SS**SBendtrans-72.5-35.3171.8-175.4177.2178.6-178.50111.2
99E86.6Confident86.6Confident134 Ų134128.4 Ų128.463%0.62663%0.631SS**  trans-152.7141.4-173.6-166.3170.3-159.600110.7Q101E99-Q101 HydrophobicContact CG-CG 3.95Å; E99-Q101 PolarHBondContact OE1-NE2 3.01Å; E99-Q101 PolarHBondContact OE2-NE2 2.73Å
100I88.5Confident86.9Confident96 Ų96130.8 Ų130.849%0.49264%0.639SS.*  trans-120.9119.8173.9-54171.1000106.8V97 L108V97-I100 HydrophobicContact CB-CG1 4.45Å; V97-I100 HydrophobicContact CG2-CD1 3.74Å; V97-I100 HydrophobicContact CG2-CG1 3.37Å; I100-L108 HydrophobicContact CB-CD2 4.47Å; I100-L108 HydrophobicContact CG2-CD1 3.9Å; I100-L108 HydrophobicContact CG2-CD2 3.55Å; I100-L108 HydrophobicContact CG2-CG 4.39Å
101Q87.8Confident87.1Confident139 Ų139131.1 Ų131.165%0.6564%0.641SS**  trans-132.4147.2175.1-61.1-174.65.700109.7E99E99-Q101 HydrophobicContact CG-CG 3.95Å; E99-Q101 PolarHBondContact OE1-NE2 3.01Å; E99-Q101 PolarHBondContact OE2-NE2 2.73Å
102S88.4Confident87.3Confident51 Ų51128.7 Ų128.736%0.35764%0.638SS.*PPolyproline II helixtrans-79.1170.2164.757.30000111.1S106S102-S106 WeakPolarHBondContact CB-O 3.39Å; S102-S106 PolarHBondContact OG-O 2.75Å
103R85.2Confident87.4Confident208 Ų208128.1 Ų128.179%0.78564%0.635SS**PPolyproline II helixtrans-69.2156.1169.6-61.2178.2-71.2-117.8-1109.4D105 S106R103-D105 PolarHBondContact O-N 2.73Å; R103-S106 WeakPolarHBondContact CA-OG 2.87Å; R103-S106 WeakPolarHBondContact CB-OG 3.19Å; R103-S106 PolarHBondContact N-OG 2.71Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 PolarHBondContact O-OG 2.84Å
104R81.8Confident87.6Confident239 Ų239130.5 Ų130.590%0.90264%0.635SS**THydrogen-bonded Turntrans-49.1135.2173.5-65.8-170.7-168.3-162.32.7110.2S106R104-S106 PolarHBondContact O-N 2.83Å
105D81.1Confident87.9Confident177 Ų177130.8 Ų130.895%0.94763%0.631SS**THydrogen-bonded Turntrans60.120.7179.1-47-47.3000115.1R103R103-D105 PolarHBondContact O-N 2.73Å
106S86.6Confident88.2Confident38 Ų38127.3 Ų127.327%0.26661%0.614SS.*  trans-127.7141.2174.368.50000111.4S102 R103 R104S102-S106 WeakPolarHBondContact CB-O 3.39Å; S102-S106 PolarHBondContact OG-O 2.75Å; R103-S106 WeakPolarHBondContact CA-OG 2.87Å; R103-S106 WeakPolarHBondContact CB-OG 3.19Å; R103-S106 PolarHBondContact N-OG 2.71Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 PolarHBondContact O-OG 2.84Å; R104-S106 PolarHBondContact O-N 2.83Å
107P88.4Confident88.5Confident100 Ų100122.4 Ų122.465%0.64960%0.602SS**  trans-72.8148.7175.229.7-34000111.2I109P107-I109 HydrophobicContact CB-CG1 4.35Å; P107-I109 HydrophobicContact CG-CD1 4.15Å; P107-I109 HydrophobicContact CG-CG1 4.08Å; P107-I109 PolarHBondContact O-N 3.46Å
108L90.1Very high88.8Confident89 Ų89121.7 Ų121.747%0.46660%0.597SS.*  trans-77.7115.5164179.267000107.8I100I100-L108 HydrophobicContact CB-CD2 4.47Å; I100-L108 HydrophobicContact CG2-CD1 3.9Å; I100-L108 HydrophobicContact CG2-CD2 3.55Å; I100-L108 HydrophobicContact CG2-CG 4.39Å
109I90.2Very high89.1Confident125 Ų125114.7 Ų114.764%0.64157%0.57SS**  trans-108.5119.8179.9-56.5175.6000108.5P107 Q111P107-I109 HydrophobicContact CB-CG1 4.35Å; P107-I109 HydrophobicContact CG-CD1 4.15Å; P107-I109 HydrophobicContact CG-CG1 4.08Å; P107-I109 PolarHBondContact O-N 3.46Å; I109-Q111 HydrophobicContact CG2-CB 4.48Å
110L89.8Confident89.4Confident98 Ų98110.7 Ų110.751%0.51356%0.56SS.*  trans-110.4110.1170-57.7177.8000107.5V116 V118L110-V116 HydrophobicContact CB-CG1 4.15Å; L110-V116 HydrophobicContact CD1-CG1 4.11Å; L110-V118 HydrophobicContact CD1-CG2 4.12Å
111Q88.6Confident89.6Confident183 Ų183111.9 Ų111.986%0.85556%0.558SS**  trans-120.9133.5-178.1-174.8177.1-5.800109.9I109I109-Q111 HydrophobicContact CG2-CB 4.48Å
112S89.3Confident89.7Confident61 Ų61107.9 Ų107.943%0.42754%0.541SS..  trans-152.7148.4-178.9175.90000109.5R114 V116S112-R114 WeakPolarHBondContact CB-O 3.45Å; S112-R114 PolarHBondContact OG-N 3.01Å; S112-R114 PolarHBondContact OG-O 2.66Å; S112-V116 VanDerWaalsContact CB-CG2 3.47Å
113D89.8Confident89.8Confident154 Ų154114 Ų11482%0.82457%0.57SS**SBendtrans-76.7-14.5168.364.8-34.1000112.1
114R91.9Very high90Very high192 Ų192111.6 Ų111.673%0.72557%0.568SS**SBendtrans-118.6174.6176.9-59.8-177.1-175.9-157.3-1111.2S112 V116S112-R114 WeakPolarHBondContact CB-O 3.45Å; S112-R114 PolarHBondContact OG-N 3.01Å; S112-R114 PolarHBondContact OG-O 2.66Å; R114-V116 PolarHBondContact O-N 3.46Å
115N93.3Very high90.2Very high100 Ų100101.8 Ų101.854%0.53554%0.541SS..  trans-56.1134.1177.6-602.2000111.9T132 V133 G134N115-T132 HydrophobicContact CB-CG2 4.33Å; N115-V133 CarbonylContact C-O 3.53Å; N115-V133 VanDerWaalsContact CA-O 3.25Å; N115-V133 WeakPolarHBondContact CA-O 3.17Å; N115-G134 WeakPolarHBondContact OD1-CA 3.49Å
116V93.7Very high90.7Very high32 Ų3298.8 Ų98.819%0.19452%0.521CS..EExtended strand (participates in β ladder)trans-97.6119.7171.7-179.50000108L110 S112 R114 T132 V133L110-V116 HydrophobicContact CB-CG1 4.15Å; L110-V116 HydrophobicContact CD1-CG1 4.11Å; S112-V116 VanDerWaalsContact CB-CG2 3.47Å; R114-V116 PolarHBondContact O-N 3.46Å; V116-T132 CarbonylContact O-C 3.59Å; V116-T132 WeakPolarHBondContact O-CA 3.41Å; V116-V133 HydrophobicContact CB-CB 4.39Å; V116-V133 PolarHBondContact N-O 2.94Å; V116-V133 PolarHBondContact O-N 3.12Å
117T93.4Very high90.9Very high64 Ų64101 Ų10139%0.39353%0.53SS..EExtended strand (participates in β ladder)trans-117.4120.6177.7-58.40000110.7Q130 L131 T132T117-Q130 HydrophobicContact CG2-CG 3.79Å; T117-L131 CarbonylContact C-O 3.56Å; T117-L131 WeakPolarHBondContact CA-O 3.47Å; T117-T132 PolarHBondContact OG1-OG1 2.7Å
118V93.8Very high91.1Very high59 Ų59100.2 Ų100.236%0.35852%0.524SS..EExtended strand (participates in β ladder)trans-106.1122.9173.8-176.10000108.4L110 Q130 L131L110-V118 HydrophobicContact CD1-CG2 4.12Å; V118-Q130 WeakPolarHBondContact O-CA 3.45Å; V118-L131 HydrophobicContact CB-CB 4.47Å; V118-L131 PolarHBondContact N-O 3.29Å; V118-L131 PolarHBondContact O-N 3.35Å
119N93.6Very high91.2Very high69 Ų6996.6 Ų96.637%0.36951%0.507SS..EExtended strand (participates in β ladder)trans-112.6121.9-178.2-67.4-54.7000110.2L127 Q130N119-L127 HydrophobicContact CB-CD1 3.62Å; N119-L127 WeakPolarHBondContact OD1-CD1 3.23Å; N119-Q130 WeakPolarHBondContact OD1-CG 3.36Å; N119-Q130 PolarHBondContact OD1-NE2 3.48Å
120A92.8Very high91.4Very high50 Ų5093 Ų9341%0.41349%0.488SS..EExtended strand (participates in β ladder)trans-88.7134.6167.800000109.5T128 G129A120-T128 PolarHBondContact O-N 3.39Å; A120-T128 PolarHBondContact O-OG1 2.77Å; A120-G129 PolarHBondContact N-O 3.4Å; A120-G129 PolarHBondContact O-N 3.03Å
121R91.1Very high91.7Very high122 Ų12291.2 Ų91.246%0.4648%0.479SS..EExtended strand (participates in β ladder)trans-130147.4-179.3-64.3177.6-178.7-106.60.7111G125 Q126R121-G125 PolarHBondContact NH1-O 2.84Å; R121-Q126 CarbonylContact C-O 3.51Å; R121-Q126 WeakPolarHBondContact CA-O 3.13Å; R121-Q126 WeakPolarHBondContact CB-O 3.4Å
122N90.3Very high92Very high55 Ų5583.5 Ų83.529%0.29444%0.444SS..  trans-79.2176.717168.812.5000111.8Q124 G125 Q126 T128N122-Q124 PolarHBondContact O-N 2.91Å; N122-Q124 VanDerWaalsContact O-N 3.11Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.25Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.16Å; N122-Q124 PolarHBondContact OD1-N 3.44Å; N122-Q124 VanDerWaalsContact OD1-N 3.08Å; N122-G125 WeakPolarHBondContact O-CA 3.49Å; N122-G125 PolarHBondContact O-N 2.81Å; N122-G125 PolarHBondContact OD1-N 2.81Å; N122-G125 VanDerWaalsContact OD1-N 3.16Å; N122-Q126 PolarHBondContact N-O 2.74Å; N122-Q126 PolarHBondContact ND2-OE1 2.82Å; N122-Q126 VanDerWaalsContact ND2-OE1 3.15Å; N122-Q126 WeakPolarHBondContact OD1-CB 3.25Å; N122-Q126 PolarHBondContact OD1-N 2.81Å; N122-Q126 PolarHBondContact OD1-O 2.89Å; N122-T128 HydrophobicContact CB-CG2 3.81Å
123D90Very high92.2Very high180 Ų18083.6 Ų83.696%0.96344%0.442SS*.THydrogen-bonded Turntrans-61.3-19.9179.9-60.6-34.4000113.8G125D123-G125 VanDerWaalsContact C-N 3.31Å
124Q90.4Very high92.4Very high156 Ų15677.4 Ų77.473%0.72942%0.415SS*.THydrogen-bonded Turntrans-87.7-0.2174.9-60.3-178.4-13.400112.7N122 Q126N122-Q124 PolarHBondContact O-N 2.91Å; N122-Q124 VanDerWaalsContact O-N 3.11Å; N122-Q124 WeakPolarHBondContact OD1-CA 3.25Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.16Å; N122-Q124 PolarHBondContact OD1-N 3.44Å; N122-Q124 VanDerWaalsContact OD1-N 3.08Å; Q124-Q126 VanDerWaalsContact C-N 3.3Å; Q124-Q126 HydrophobicContact CB-CG 4.35Å; Q124-Q126 PolarHBondContact O-N 2.82Å
125G86.4Confident92.3Very high34 Ų3473.8 Ų73.835%0.35142%0.419SS..SBendtrans79.65.8-178.600000114.8R121 N122 D123R121-G125 PolarHBondContact NH1-O 2.84Å; N122-G125 WeakPolarHBondContact O-CA 3.49Å; N122-G125 PolarHBondContact O-N 2.81Å; N122-G125 PolarHBondContact OD1-N 2.81Å; N122-G125 VanDerWaalsContact OD1-N 3.16Å; D123-G125 VanDerWaalsContact C-N 3.31Å
126Q90.3Very high92.1Very high113 Ų11378.1 Ų78.153%0.52844%0.435SS..  trans-76.6142.9177-57.5178-40.400110.5R121 N122 Q124 T128R121-Q126 CarbonylContact C-O 3.51Å; R121-Q126 WeakPolarHBondContact CA-O 3.13Å; R121-Q126 WeakPolarHBondContact CB-O 3.4Å; N122-Q126 PolarHBondContact N-O 2.74Å; N122-Q126 PolarHBondContact ND2-OE1 2.82Å; N122-Q126 VanDerWaalsContact ND2-OE1 3.15Å; N122-Q126 WeakPolarHBondContact OD1-CB 3.25Å; N122-Q126 PolarHBondContact OD1-N 2.81Å; N122-Q126 PolarHBondContact OD1-O 2.89Å; Q124-Q126 VanDerWaalsContact C-N 3.3Å; Q124-Q126 HydrophobicContact CB-CG 4.35Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q126-T128 PolarHBondContact O-N 2.86Å
127L91.1Very high91.9Very high85 Ų8582.1 Ų82.145%0.44545%0.454SS..EExtended strand (participates in β ladder)trans-69123.7178.3-171.674.5000110N119 G129 Q130N119-L127 HydrophobicContact CB-CD1 3.62Å; N119-L127 WeakPolarHBondContact OD1-CD1 3.23Å; L127-G129 WeakPolarHBondContact CD1-O 3.13Å; L127-Q130 HydrophobicContact CD2-CB 4.39Å
128T92.2Very high91.8Very high84 Ų8483.7 Ų83.752%0.51546%0.463SS..EExtended strand (participates in β ladder)trans-108.1-21.4176.152.60000112.8A120 N122 Q126A120-T128 PolarHBondContact O-N 3.39Å; A120-T128 PolarHBondContact O-OG1 2.77Å; N122-T128 HydrophobicContact CB-CG2 3.81Å; Q126-T128 PolarHBondContact O-N 2.86Å
129G93.1Very high91.8Very high12 Ų1284.9 Ų84.912%0.12446%0.464CS..EExtended strand (participates in β ladder)trans-164.3155173.800000112A120 L127 Q141A120-G129 PolarHBondContact N-O 3.4Å; A120-G129 PolarHBondContact O-N 3.03Å; L127-G129 WeakPolarHBondContact CD1-O 3.13Å; G129-Q141 CarbonylContact C-O 3.56Å; G129-Q141 WeakPolarHBondContact CA-O 3.29Å
130Q94.8Very high91.8Very high51 Ų5183.6 Ų83.624%0.23846%0.464CS..EExtended strand (participates in β ladder)trans-138.6133.3178.9177.9172.486.700110T117 V118 N119 L127 Q141T117-Q130 HydrophobicContact CG2-CG 3.79Å; V118-Q130 WeakPolarHBondContact O-CA 3.45Å; N119-Q130 WeakPolarHBondContact OD1-CG 3.36Å; N119-Q130 PolarHBondContact OD1-NE2 3.48Å; L127-Q130 HydrophobicContact CD2-CB 4.39Å; Q130-Q141 HydrophobicContact CB-CB 4.31Å; Q130-Q141 PolarHBondContact N-O 3Å; Q130-Q141 PolarHBondContact O-N 2.85Å
131L94.8Very high91.8Very high60 Ų6085.7 Ų85.731%0.31447%0.465SS..EExtended strand (participates in β ladder)trans-118.8119.3169.6176.867.6000108.1T117 V118 V138 E139 A140 F145T117-L131 CarbonylContact C-O 3.56Å; T117-L131 WeakPolarHBondContact CA-O 3.47Å; V118-L131 HydrophobicContact CB-CB 4.47Å; V118-L131 PolarHBondContact N-O 3.29Å; V118-L131 PolarHBondContact O-N 3.35Å; L131-V138 HydrophobicContact CD1-CG1 3.89Å; L131-E139 WeakPolarHBondContact CA-O 3.37Å; L131-A140 HydrophobicContact CD1-CB 4.02Å; L131-F145 HydrophobicContact CD1-CE2 4.42Å
132T95.2Very high91.9Very high21 Ų2182.6 Ų82.613%0.12946%0.462CS..EExtended strand (participates in β ladder)trans-118.2120.5178.1-61.60000109.7N115 V116 T117 V138 E139N115-T132 HydrophobicContact CB-CG2 4.33Å; V116-T132 CarbonylContact O-C 3.59Å; V116-T132 WeakPolarHBondContact O-CA 3.41Å; T117-T132 PolarHBondContact OG1-OG1 2.7Å; T132-V138 WeakPolarHBondContact O-CA 3.48Å; T132-E139 PolarHBondContact N-O 2.82Å; T132-E139 PolarHBondContact O-N 2.83Å
133V94.9Very high91.9Very high63 Ų6388.6 Ų88.638%0.38249%0.488SS..EExtended strand (participates in β ladder)trans-103.7107.1173.5179.70000107.5N115 V116 V138N115-V133 CarbonylContact C-O 3.53Å; N115-V133 VanDerWaalsContact CA-O 3.25Å; N115-V133 WeakPolarHBondContact CA-O 3.17Å; V116-V133 HydrophobicContact CB-CB 4.39Å; V116-V133 PolarHBondContact N-O 2.94Å; V116-V133 PolarHBondContact O-N 3.12Å; V133-V138 HydrophobicContact CG1-CG2 4.23Å; V133-V138 HydrophobicContact CG2-CG1 4.19Å; V133-V138 HydrophobicContact CG2-CG2 4.38Å
134G92.6Very high92Very high24 Ų2486.3 Ų86.325%0.24747%0.465CS..  trans-98.8-176175.700000112.9N115 E136 M137N115-G134 WeakPolarHBondContact OD1-CA 3.49Å; G134-E136 VanDerWaalsContact C-N 3.32Å; G134-M137 WeakPolarHBondContact CA-O 3.34Å; G134-M137 PolarHBondContact N-O 3.21Å
135S90.2Very high92.1Very high116 Ų11682 Ų8281%0.81145%0.445SS*.SBendtrans-71.4-25.7176.754.30000113.8
136E88.7Confident92.4Very high190 Ų19083.4 Ų83.489%0.88844%0.442SS*.SBendtrans-114.1-32.3-175.1-63.5-176.2173.100113.1G134G134-E136 VanDerWaalsContact C-N 3.32Å
137M90.3Very high92.4Very high117 Ų11780.9 Ų80.958%0.57643%0.434SS*.  trans-143.1154.8-173.565.7-177.2-76.600112.7G134 E139G134-M137 WeakPolarHBondContact CA-O 3.34Å; G134-M137 PolarHBondContact N-O 3.21Å; M137-E139 HydrophobicContact CE-CB 4.04Å; M137-E139 HydrophobicContact CE-CG 4.22Å
138V91.9Very high92.4Very high97 Ų9781.9 Ų81.959%0.58844%0.435SS*.EExtended strand (participates in β ladder)trans-107.8121.1167.7-179.30000107.7L131 T132 V133L131-V138 HydrophobicContact CD1-CG1 3.89Å; T132-V138 WeakPolarHBondContact O-CA 3.48Å; V133-V138 HydrophobicContact CG1-CG2 4.23Å; V133-V138 HydrophobicContact CG2-CG1 4.19Å; V133-V138 HydrophobicContact CG2-CG2 4.38Å
139E93.3Very high92.2Very high83 Ų8379.6 Ų79.639%0.38842%0.422SS..EExtended strand (participates in β ladder)trans-113.3125.3-179.9-163.5-178.816400110L131 T132 M137 Q141L131-E139 WeakPolarHBondContact CA-O 3.37Å; T132-E139 PolarHBondContact N-O 2.82Å; T132-E139 PolarHBondContact O-N 2.83Å; M137-E139 HydrophobicContact CE-CB 4.04Å; M137-E139 HydrophobicContact CE-CG 4.22Å; E139-Q141 HydrophobicContact CG-CG 4.45Å; E139-Q141 PolarHBondContact OE1-NE2 3.41Å
140A93.9Very high91.7Very high43 Ų4384.5 Ų84.536%0.35546%0.461SS..EExtended strand (participates in β ladder)trans-116.6115.4174.100000109.3L131 F145L131-A140 HydrophobicContact CD1-CB 4.02Å; A140-F145 HydrophobicContact CB-CD2 3.85Å; A140-F145 HydrophobicContact CB-CE2 4.3Å; A140-F145 HydrophobicContact CB-CG 4.25Å
141Q93.3Very high91.2Very high93 Ų9386.8 Ų86.844%0.43548%0.475SS..EExtended strand (participates in β ladder)trans-105.595.3174.1-62.7179.34.900108.4G129 Q130 E139G129-Q141 CarbonylContact C-O 3.56Å; G129-Q141 WeakPolarHBondContact CA-O 3.29Å; Q130-Q141 HydrophobicContact CB-CB 4.31Å; Q130-Q141 PolarHBondContact N-O 3Å; Q130-Q141 PolarHBondContact O-N 2.85Å; E139-Q141 HydrophobicContact CG-CG 4.45Å; E139-Q141 PolarHBondContact OE1-NE2 3.41Å
142C91.7Very high90.6Very high58 Ų5886 Ų8639%0.39248%0.481SS..SBendtrans-157.5162.1179.653.20000109.8R144C142-R144 VanDerWaalsContact C-N 3.26Å; C142-R144 PolarHBondContact O-N 2.92Å
143Q90.3Very high90.2Very high180 Ų18093.2 Ų93.284%0.84151%0.514SS*.SBendtrans-64.3-33.4176.5-171.9171.230.100112.5
144R91.9Very high89.8Confident132 Ų13295.5 Ų95.550%0.49852%0.516SS..EExtended strand (participates in β ladder)trans-152.8126.5179.1-179.3170.1170.3134.9-6109.7C142 E146 A159 D160C142-R144 VanDerWaalsContact C-N 3.26Å; C142-R144 PolarHBondContact O-N 2.92Å; R144-E146 HydrophobicContact CG-CG 4.14Å; R144-E146 IonicContact CZ-OE1 2.73Å; R144-E146 IonicContact NE-OE1 3.15Å; R144-E146 PolarHBondContact NE-OE1 2.83Å; R144-E146 IonicContact NH2-OE1 3.59Å; R144-E146 PolarHBondContact NH2-OE1 2.83Å; R144-A159 WeakPolarHBondContact CA-O 3.45Å; R144-D160 HydrophobicContact CB-CB 4.25Å; R144-D160 HydrophobicContact CG-CB 4.26Å; R144-D160 IonicContact NH1-OD2 2.77Å
145F92.6Very high89.7Confident66 Ų6696.5 Ų96.529%0.28952%0.517SS..EExtended strand (participates in β ladder)trans-104.5130.6174.5179.8-103.6000109.2L131 A140 V147 F157 S158 A159L131-F145 HydrophobicContact CD1-CE2 4.42Å; A140-F145 HydrophobicContact CB-CD2 3.85Å; A140-F145 HydrophobicContact CB-CE2 4.3Å; A140-F145 HydrophobicContact CB-CG 4.25Å; F145-V147 HydrophobicContact CD1-CG2 4.44Å; F145-V147 HydrophobicContact CE1-CG2 3.53Å; F145-V147 HydrophobicContact CZ-CG2 3.8Å; F145-F157 AromaticContact CD1-CD1 3.78Å; F145-F157 HydrophobicContact CD1-CD1 3.78Å; F145-F157 AromaticContact CD1-CE1 3.71Å; F145-F157 HydrophobicContact CD1-CE1 3.71Å; F145-F157 AromaticContact CE1-CD1 3.87Å; F145-F157 HydrophobicContact CE1-CD1 3.87Å; F145-F157 HydrophobicContact CE1-CE1 4.01Å; F145-S158 CarbonylContact O-C 3.58Å; F145-S158 WeakPolarHBondContact O-CA 3.25Å; F145-A159 PolarHBondContact N-O 2.94Å; F145-A159 PolarHBondContact O-N 2.8Å
146E92.6Very high89.8Confident64 Ų6493.5 Ų93.530%0.29949%0.491SS..EExtended strand (participates in β ladder)trans-131.8136.6177.9-63.7-173.1156.200111.1R144 K148 F157R144-E146 HydrophobicContact CG-CG 4.14Å; R144-E146 IonicContact CZ-OE1 2.73Å; R144-E146 IonicContact NE-OE1 3.15Å; R144-E146 PolarHBondContact NE-OE1 2.83Å; R144-E146 IonicContact NH2-OE1 3.59Å; R144-E146 PolarHBondContact NH2-OE1 2.83Å; E146-K148 WeakPolarHBondContact OE2-CE 3.46Å; E146-K148 IonicContact OE2-NZ 2.7Å; E146-K148 PolarHBondContact OE2-NZ 3.31Å; E146-F157 CarbonylContact C-O 3.54Å; E146-F157 WeakPolarHBondContact CA-O 3.4Å
147V91.9Very high90Very high60 Ų6087.7 Ų87.736%0.36446%0.464SS..EExtended strand (participates in β ladder)trans-111.7122.2166-174.30000107.5F145 L156 F157F145-V147 HydrophobicContact CD1-CG2 4.44Å; F145-V147 HydrophobicContact CE1-CG2 3.53Å; F145-V147 HydrophobicContact CZ-CG2 3.8Å; V147-L156 WeakPolarHBondContact O-CB 3.32Å; V147-L156 PolarHBondContact O-N 3.44Å; V147-F157 HydrophobicContact CB-CB 4.03Å; V147-F157 HydrophobicContact CG2-CB 4.14Å; V147-F157 HydrophobicContact CG2-CD1 4.29Å; V147-F157 PolarHBondContact N-O 3.2Å; V147-F157 PolarHBondContact O-N 2.89Å
148K90.4Very high90.1Very high106 Ų10682.3 Ų82.346%0.46144%0.437SS..EExtended strand (participates in β ladder)trans-107.7159.4-179.7-63.6-178.6-177.6175.70111.1E146 R154 V155E146-K148 WeakPolarHBondContact OE2-CE 3.46Å; E146-K148 IonicContact OE2-NZ 2.7Å; E146-K148 PolarHBondContact OE2-NZ 3.31Å; K148-R154 CarbonylContact C-O 3.38Å; K148-R154 VanDerWaalsContact CA-O 3.31Å; K148-R154 WeakPolarHBondContact CA-O 3.41Å; K148-V155 HydrophobicContact CG-CG2 4.26Å
149S88.3Confident90.1Very high35 Ų3578.9 Ų78.925%0.24542%0.419CS..  trans-59.6162.3168.6174.40000110.9D151 G152 R154S149-D151 WeakPolarHBondContact CB-OD1 3.13Å; S149-D151 PolarHBondContact O-N 3.43Å; S149-D151 VanDerWaalsContact OG-CG 3.27Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; S149-D151 VanDerWaalsContact OG-OD1 3.06Å; S149-D151 PolarHBondContact OG-OD2 2.88Å; S149-D151 VanDerWaalsContact OG-OD2 3.06Å; S149-G152 WeakPolarHBondContact O-CA 3.37Å; S149-G152 PolarHBondContact O-N 3.24Å; S149-R154 PolarHBondContact N-O 3.41Å
150A83Confident90.1Very high115 Ų11577.1 Ų77.195%0.9541%0.412SS*.THydrogen-bonded Turntrans-60.5-25.7179.800000113.1G152A150-G152 VanDerWaalsContact C-N 3.33Å
151D83Confident89.8Confident99 Ų9984.3 Ų84.353%0.52944%0.439SS..THydrogen-bonded Turntrans-77.3-15.7172.95333.5000113.6S149 E153S149-D151 WeakPolarHBondContact CB-OD1 3.13Å; S149-D151 PolarHBondContact O-N 3.43Å; S149-D151 VanDerWaalsContact OG-CG 3.27Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; S149-D151 VanDerWaalsContact OG-OD1 3.06Å; S149-D151 PolarHBondContact OG-OD2 2.88Å; S149-D151 VanDerWaalsContact OG-OD2 3.06Å; D151-E153 HydrophobicContact CB-CG 4.36Å; D151-E153 PolarHBondContact O-N 3.43Å; D151-E153 PolarHBondContact OD1-N 3.23Å
152G83.3Confident89.5Confident43 Ų4388.8 Ų88.844%0.44346%0.46SS..SBendtrans75.6-1.2-175.100000115.3S149 A150S149-G152 WeakPolarHBondContact O-CA 3.37Å; S149-G152 PolarHBondContact O-N 3.24Å; A150-G152 VanDerWaalsContact C-N 3.33Å
153E85.4Confident89.2Confident174 Ų17491.9 Ų91.981%0.81347%0.468SS*.SBendtrans-83.8-41.6-173.3-63.8-168162.500112.3D151D151-E153 HydrophobicContact CB-CG 4.36Å; D151-E153 PolarHBondContact O-N 3.43Å; D151-E153 PolarHBondContact OD1-N 3.23Å
154R88.4Confident89.1Confident110 Ų11089 Ų8942%0.41546%0.457SS..SBendtrans-102.6129.3-176-172.5175174.9173.80.9111.6K148 S149 L156 G167 E169K148-R154 CarbonylContact C-O 3.38Å; K148-R154 VanDerWaalsContact CA-O 3.31Å; K148-R154 WeakPolarHBondContact CA-O 3.41Å; S149-R154 PolarHBondContact N-O 3.41Å; R154-L156 HydrophobicContact CG-CD2 4.45Å; R154-G167 PolarHBondContact NE-O 2.99Å; R154-G167 VanDerWaalsContact NE-O 3.16Å; R154-G167 PolarHBondContact NH2-O 3.19Å; R154-E169 IonicContact CZ-OE1 3.01Å; R154-E169 IonicContact NH1-OE1 2.73Å; R154-E169 PolarHBondContact NH1-OE1 2.87Å; R154-E169 IonicContact NH2-OE1 3.04Å
155V90.4Very high88.8Confident45 Ų4584.6 Ų84.627%0.27345%0.447SS..EExtended strand (participates in β ladder)trans-78.6122.6168.2-178.40000108.8K148 F157K148-V155 HydrophobicContact CG-CG2 4.26Å; V155-F157 WeakPolarHBondContact CG1-O 3.47Å
156L91.4Very high88.6Confident53 Ų5385.1 Ų85.128%0.27745%0.452SS..EExtended strand (participates in β ladder)trans-92.7-36179.4-60.9179.1000111.6V147 R154 G167 T168V147-L156 WeakPolarHBondContact O-CB 3.32Å; V147-L156 PolarHBondContact O-N 3.44Å; R154-L156 HydrophobicContact CG-CD2 4.45Å; L156-G167 PolarHBondContact O-N 3.35Å; L156-T168 HydrophobicContact CB-CG2 4.13Å; L156-T168 HydrophobicContact CD2-CG2 4.47Å; L156-T168 WeakPolarHBondContact O-CG2 3.26Å
157F92Very high88Confident69 Ų6983.3 Ų83.330%0.30345%0.45SS..EExtended strand (participates in β ladder)trans-145.4135177.8179.5-93.4000108.7F145 E146 V147 V155 A159 I164 S165 I166F145-F157 AromaticContact CD1-CD1 3.78Å; F145-F157 HydrophobicContact CD1-CD1 3.78Å; F145-F157 AromaticContact CD1-CE1 3.71Å; F145-F157 HydrophobicContact CD1-CE1 3.71Å; F145-F157 AromaticContact CE1-CD1 3.87Å; F145-F157 HydrophobicContact CE1-CD1 3.87Å; F145-F157 HydrophobicContact CE1-CE1 4.01Å; E146-F157 CarbonylContact C-O 3.54Å; E146-F157 WeakPolarHBondContact CA-O 3.4Å; V147-F157 HydrophobicContact CB-CB 4.03Å; V147-F157 HydrophobicContact CG2-CB 4.14Å; V147-F157 HydrophobicContact CG2-CD1 4.29Å; V147-F157 PolarHBondContact N-O 3.2Å; V147-F157 PolarHBondContact O-N 2.89Å; V155-F157 WeakPolarHBondContact CG1-O 3.47Å; F157-A159 HydrophobicContact CE1-CB 3.85Å; F157-A159 HydrophobicContact CZ-CB 4.09Å; F157-I164 HydrophobicContact CE2-CG2 3.72Å; F157-I164 HydrophobicContact CZ-CG2 3.94Å; F157-S165 CarbonylContact C-O 3.51Å; F157-S165 WeakPolarHBondContact CA-O 3.3Å; F157-I166 HydrophobicContact CD2-CG1 4.06Å; F157-I166 HydrophobicContact CE2-CG1 4.33Å
158S93.3Very high87.4Confident3 Ų383 Ų832%0.02145%0.448CS..EExtended strand (participates in β ladder)trans-134.5144.9164.972.90000111F145 I164 S165F145-S158 CarbonylContact O-C 3.58Å; F145-S158 WeakPolarHBondContact O-CA 3.25Å; S158-I164 CarbonylContact O-C 3.54Å; S158-I164 WeakPolarHBondContact O-CA 3.43Å; S158-S165 PolarHBondContact N-O 2.88Å; S158-S165 PolarHBondContact O-N 3.34Å; S158-S165 WeakPolarHBondContact OG-CB 3.45Å; S158-S165 PolarHBondContact OG-OG 3.25Å
159A92.6Very high86.6Confident25 Ų2586.1 Ų86.121%0.20747%0.465CS..EExtended strand (participates in β ladder)trans-137.5126.517100000109R144 F145 F157 I164R144-A159 WeakPolarHBondContact CA-O 3.45Å; F145-A159 PolarHBondContact N-O 2.94Å; F145-A159 PolarHBondContact O-N 2.8Å; F157-A159 HydrophobicContact CE1-CB 3.85Å; F157-A159 HydrophobicContact CZ-CB 4.09Å; A159-I164 HydrophobicContact CB-CG1 4.18Å
160D91.5Very high86Confident46 Ų4692.7 Ų92.725%0.24649%0.489CS..EExtended strand (participates in β ladder)trans-132.3-168.217057.242.6000110.2R144 E162 E163R144-D160 HydrophobicContact CB-CB 4.25Å; R144-D160 HydrophobicContact CG-CB 4.26Å; R144-D160 IonicContact NH1-OD2 2.77Å; D160-E162 VanDerWaalsContact C-N 3.26Å; D160-E162 PolarHBondContact O-N 3.42Å; D160-E162 PolarHBondContact OD1-N 3.02Å; D160-E163 PolarHBondContact N-O 3.16Å; D160-E163 VanDerWaalsContact N-O 3.07Å; D160-E163 PolarHBondContact OD1-N 3.21Å
161E88.6Confident85.9Confident195 Ų19592.4 Ų92.491%0.91147%0.471SS*.SBendtrans-69.1-24.7-177.9-171.5173.6-17700112.8
162E87.3Confident85.7Confident187 Ų18795 Ų9587%0.87448%0.478SS*.SBendtrans-96.5-44.4-173.3-62.5-176.5-178.900111.4D160D160-E162 VanDerWaalsContact C-N 3.26Å; D160-E162 PolarHBondContact O-N 3.42Å; D160-E162 PolarHBondContact OD1-N 3.02Å
163E86.1Confident85.7Confident122 Ų12296.3 Ų96.357%0.5748%0.477SS*.  trans-147.1158.7-173.464.6174.9-163.100114.9D160D160-E163 PolarHBondContact N-O 3.16Å; D160-E163 VanDerWaalsContact N-O 3.07Å; D160-E163 PolarHBondContact OD1-N 3.21Å
164I86.9Confident85.4Confident119 Ų11993.3 Ų93.361%0.6147%0.47SS*.EExtended strand (participates in β ladder)trans-112.3117.5166.7-60174.7000107F157 S158 A159F157-I164 HydrophobicContact CE2-CG2 3.72Å; F157-I164 HydrophobicContact CZ-CG2 3.94Å; S158-I164 CarbonylContact O-C 3.54Å; S158-I164 WeakPolarHBondContact O-CA 3.43Å; A159-I164 HydrophobicContact CB-CG1 4.18Å
165S86Confident84.8Confident41 Ų4190.2 Ų90.229%0.28747%0.473SS..EExtended strand (participates in β ladder)trans-109.3133.5177.494.40000110.6F157 S158F157-S165 CarbonylContact C-O 3.51Å; F157-S165 WeakPolarHBondContact CA-O 3.3Å; S158-S165 PolarHBondContact N-O 2.88Å; S158-S165 PolarHBondContact O-N 3.34Å; S158-S165 WeakPolarHBondContact OG-CB 3.45Å; S158-S165 PolarHBondContact OG-OG 3.25Å
166I87.8Confident84.2Confident76 Ų7696.2 Ų96.239%0.3950%0.504SS..EExtended strand (participates in β ladder)trans-118100.6177.3-56.9177.8000107.2F157 T168 L171F157-I166 HydrophobicContact CD2-CG1 4.06Å; F157-I166 HydrophobicContact CE2-CG1 4.33Å; I166-T168 HydrophobicContact CG2-CG2 4.07Å; I166-T168 PolarHBondContact O-N 3.24Å; I166-L171 HydrophobicContact CD1-CD1 4.25Å; I166-L171 HydrophobicContact CD1-CD2 3.74Å
167G80.8Confident83.7Confident26 Ų26102.3 Ų102.327%0.26853%0.531SS..  trans-83.99.8-177.100000114.4R154 L156R154-G167 PolarHBondContact NE-O 2.99Å; R154-G167 VanDerWaalsContact NE-O 3.16Å; R154-G167 PolarHBondContact NH2-O 3.19Å; L156-G167 PolarHBondContact O-N 3.35Å
168T78.4Confident83.2Confident53 Ų53101.1 Ų101.133%0.32554%0.537SS..  trans-81.8149179.676.90000111.6L156 I166 K170L156-T168 HydrophobicContact CB-CG2 4.13Å; L156-T168 HydrophobicContact CD2-CG2 4.47Å; L156-T168 WeakPolarHBondContact O-CG2 3.26Å; I166-T168 HydrophobicContact CG2-CG2 4.07Å; I166-T168 PolarHBondContact O-N 3.24Å; T168-K170 PolarHBondContact O-N 3.48Å; T168-K170 PolarHBondContact OG1-O 2.93Å
169E75.3Confident82.7Confident173 Ų173104.4 Ų104.481%0.80856%0.558SS**SBendtrans-68.8-23.4174.9-72.5166.4-152.800113.3R154R154-E169 IonicContact CZ-OE1 3.01Å; R154-E169 IonicContact NH1-OE1 2.73Å; R154-E169 PolarHBondContact NH1-OE1 2.87Å; R154-E169 IonicContact NH2-OE1 3.04Å
170K75.3Confident82.1Confident172 Ų172109.8 Ų109.875%0.74859%0.587SS**  trans-144.7110.1-175.7-170.9174-176.7174.10110.9T168T168-K170 PolarHBondContact O-N 3.48Å; T168-K170 PolarHBondContact OG1-O 2.93Å
171L80Confident81.5Confident110 Ų110113.7 Ų113.758%0.57660%0.602SS**  trans-91.1114.9165.3-17964.4000108.7I166I166-L171 HydrophobicContact CD1-CD1 4.25Å; I166-L171 HydrophobicContact CD1-CD2 3.74Å
172K80.1Confident80.9Confident154 Ų154109.6 Ų109.667%0.6760%0.595SS**  trans-106.2114.4172.2-169.8-176-178.1-175.50109.4T174K172-T174 HydrophobicContact CD-CG2 3.93Å; K172-T174 HydrophobicContact CG-CG2 4.02Å
173V81.4Confident80.6Confident69 Ų69108.3 Ų108.342%0.41859%0.589SS.*  trans-87125.4170.8-178.50000107.7V179V173-V179 HydrophobicContact CB-CG2 4.18Å; V173-V179 HydrophobicContact CG1-CG2 3.69Å; V173-V179 HydrophobicContact CG2-CB 4.31Å; V173-V179 HydrophobicContact CG2-CG2 3.39Å
174T79.6Confident80.4Confident111 Ų111108.4 Ų108.468%0.68160%0.603SS**  trans-119.4-2.6-178.750.80000113.5K172K172-T174 HydrophobicContact CD-CG2 3.93Å; K172-T174 HydrophobicContact CG-CG2 4.02Å
175G76.6Confident80.2Confident46 Ų46106.8 Ų106.847%0.47460%0.599SS.*SBendtrans-71.4142.4176.200000111.4E177 G178G175-E177 PolarHBondContact O-N 2.89Å; G175-G178 PolarHBondContact O-N 3.48Å
176D78Confident80Confident171 Ų171114.3 Ų114.391%0.91463%0.629SS**THydrogen-bonded Turntrans-60.6-28.8-179.1-61.5-32.2000112.7G178D176-G178 VanDerWaalsContact C-N 3.3Å
177E79.7Confident79.8Confident181 Ų181114.5 Ų114.585%0.84663%0.634SS**THydrogen-bonded Turntrans-82.3-4177.3-62.6-65.3156.700113.4G175G175-E177 PolarHBondContact O-N 2.89Å
178G81.6Confident79.9Confident43 Ų43119.4 Ų119.444%0.44366%0.664SS.*  trans65.5-144.4-17800000113.5G175 D176G175-G178 PolarHBondContact O-N 3.48Å; D176-G178 VanDerWaalsContact C-N 3.3Å
179V82.6Confident80.2Confident73 Ų73123.1 Ų123.144%0.44268%0.677SS.*  trans-125.9134.3174.1162.50000109.2V173 F181V173-V179 HydrophobicContact CB-CG2 4.18Å; V173-V179 HydrophobicContact CG1-CG2 3.69Å; V173-V179 HydrophobicContact CG2-CB 4.31Å; V173-V179 HydrophobicContact CG2-CG2 3.39Å; V179-F181 HydrophobicContact CB-CE2 4.12Å; V179-F181 HydrophobicContact CB-CZ 4.22Å; V179-F181 HydrophobicContact CG1-CD1 4.12Å; V179-F181 HydrophobicContact CG1-CD2 3.91Å; V179-F181 HydrophobicContact CG1-CE1 3.71Å; V179-F181 HydrophobicContact CG1-CE2 3.47Å; V179-F181 VanDerWaalsContact CG1-CE2 3.47Å; V179-F181 HydrophobicContact CG1-CG 4.22Å; V179-F181 HydrophobicContact CG1-CZ 3.37Å
180V81.2Confident80.8Confident137 Ų137118.5 Ų118.583%0.8366%0.661SS**  trans-99.8118.4173.1-1790000108.9
181F79.4Confident81.3Confident129 Ų129119.5 Ų119.557%0.56666%0.66SS**  trans-95.5123.5170.9-58.4-85.2000108.6V179 H183 V185V179-F181 HydrophobicContact CB-CE2 4.12Å; V179-F181 HydrophobicContact CB-CZ 4.22Å; V179-F181 HydrophobicContact CG1-CD1 4.12Å; V179-F181 HydrophobicContact CG1-CD2 3.91Å; V179-F181 HydrophobicContact CG1-CE1 3.71Å; V179-F181 HydrophobicContact CG1-CE2 3.47Å; V179-F181 VanDerWaalsContact CG1-CE2 3.47Å; V179-F181 HydrophobicContact CG1-CG 4.22Å; V179-F181 HydrophobicContact CG1-CZ 3.37Å; F181-H183 PolarHBondContact O-N 3.11Å; F181-V185 HydrophobicContact CB-CG2 3.64Å; F181-V185 HydrophobicContact CD1-CG2 3.82Å; F181-V185 HydrophobicContact CD2-CG2 3.46Å; F181-V185 VanDerWaalsContact CD2-CG2 3.46Å; F181-V185 HydrophobicContact CE1-CG2 4.32Å; F181-V185 HydrophobicContact CE2-CG2 3.99Å; F181-V185 HydrophobicContact CG-CG2 3.34Å; F181-V185 HydrophobicContact CZ-CG2 4.39Å
182S75.9Confident81.6Confident108 Ų108115.4 Ų115.476%0.75564%0.642SS**SBendtrans-70.7-19.1179.951.20000113.1
183H80.8Confident81.8Confident160 Ų160113.9 Ų113.974%0.74164%0.638SS**SBendtrans-131.2-170.2-176.6-64.385.8000110.6F181F181-H183 PolarHBondContact O-N 3.11Å
184S80.1Confident81.8Confident124 Ų124115.1 Ų115.187%0.86765%0.647SS**PPolyproline II helixtrans-63.9142.5177.1-54.60000111.9
185V82.8Confident81.8Confident86 Ų86120.1 Ų120.152%0.52166%0.66SS.*PPolyproline II helixtrans-103.2121.3170.3179.50000107.8F181F181-V185 HydrophobicContact CB-CG2 3.64Å; F181-V185 HydrophobicContact CD1-CG2 3.82Å; F181-V185 HydrophobicContact CD2-CG2 3.46Å; F181-V185 VanDerWaalsContact CD2-CG2 3.46Å; F181-V185 HydrophobicContact CE1-CG2 4.32Å; F181-V185 HydrophobicContact CE2-CG2 3.99Å; F181-V185 HydrophobicContact CG-CG2 3.34Å; F181-V185 HydrophobicContact CZ-CG2 4.39Å
186E82.4Confident82.2Confident198 Ų198123.3 Ų123.393%0.92566%0.662SS**PPolyproline II helixtrans-97.9127.2172.7-170.8177.5167.200109.6
187T83.8Confident82.5Confident80 Ų80122.4 Ų122.449%0.49166%0.657SS.*  trans-152.5146.9177.7177.10000110.2H189 V190T187-H189 PolarHBondContact OG1-N 3.08Å; T187-H189 PolarHBondContact OG1-O 3.15Å; T187-H189 VanDerWaalsContact OG1-O 3.06Å; T187-V190 HydrophobicContact CG2-CG2 3.41Å; T187-V190 VanDerWaalsContact CG2-CG2 3.41Å
188S82.7Confident82.9Confident129 Ų129118 Ų11890%0.90264%0.639SS**SBendtrans-75.1-25.9177.858.90000113.1
189H84.4Confident83.1Confident131 Ų131122.7 Ų122.761%0.60665%0.647SS**  trans-151.9136-177.4-168.947.7000111.1T187T187-H189 PolarHBondContact OG1-N 3.08Å; T187-H189 PolarHBondContact OG1-O 3.15Å; T187-H189 VanDerWaalsContact OG1-O 3.06Å
190V87.8Confident83.4Confident76 Ų76123.4 Ų123.446%0.46165%0.648SS.*  trans-120.6125.7172.9-174.20000107.6T187 L198T187-V190 HydrophobicContact CG2-CG2 3.41Å; T187-V190 VanDerWaalsContact CG2-CG2 3.41Å; V190-L198 HydrophobicContact CB-CD2 4.44Å; V190-L198 HydrophobicContact CG1-CD1 3.79Å; V190-L198 HydrophobicContact CG1-CD2 3.94Å; V190-L198 HydrophobicContact CG1-CG 4.49Å
191R86.7Confident83.5Confident193 Ų193122.2 Ų122.273%0.72863%0.634SS**  trans-144.6137.3-178-166.3-172.4170.7168.91.4110.2
192A86.6Confident83.7Confident25 Ų25118.1 Ų118.121%0.20762%0.621CS.*PPolyproline II helixtrans-77.2163.1168.800000112Q196 L198A192-Q196 HydrophobicContact CB-CB 4.49Å; A192-Q196 WeakPolarHBondContact CB-O 3.31Å; A192-L198 HydrophobicContact CB-CB 3.74Å; A192-L198 HydrophobicContact CB-CD1 4.48Å
193E82.8Confident83.7Confident122 Ų122118 Ų11857%0.5762%0.618SS**PPolyproline II helixtrans-63.3154.9170.3-59.9-169.9153.700110.7F195 Q196E193-F195 PolarHBondContact O-N 3.39Å; E193-Q196 HydrophobicContact CB-CB 4.44Å; E193-Q196 HydrophobicContact CB-CG 4.28Å; E193-Q196 PolarHBondContact O-N 2.91Å; E193-Q196 VanDerWaalsContact O-N 3.08Å; E193-Q196 PolarHBondContact OE2-NE2 3.49Å
194P81.4Confident83.7Confident94 Ų94116.5 Ų116.561%0.6162%0.62SS**THydrogen-bonded Turntrans-53.7135.6175.7-24.734.4000111.6Q196P194-Q196 PolarHBondContact O-N 3.39Å
195F81.1Confident83.8Confident217 Ų217120.8 Ų120.895%0.95262%0.617SS**THydrogen-bonded Turntrans65.116.8-178.7-43.5-79.2000115E193E193-F195 PolarHBondContact O-N 3.39Å
196Q84.9Confident83.7Confident112 Ų112122.4 Ų122.452%0.52363%0.627SS.*SBendtrans-117.7147.6170.2-65.3177.314.500110.3A192 E193 P194A192-Q196 HydrophobicContact CB-CB 4.49Å; A192-Q196 WeakPolarHBondContact CB-O 3.31Å; E193-Q196 HydrophobicContact CB-CB 4.44Å; E193-Q196 HydrophobicContact CB-CG 4.28Å; E193-Q196 PolarHBondContact O-N 2.91Å; E193-Q196 VanDerWaalsContact O-N 3.08Å; E193-Q196 PolarHBondContact OE2-NE2 3.49Å; P194-Q196 PolarHBondContact O-N 3.39Å
197D83.5Confident83.8Confident153 Ų153117.2 Ų117.282%0.81861%0.605SS**  trans-80.5134.7179.8-60.6-23.7000110.8K199D197-K199 PolarHBondContact O-N 3.03Å
198L87.8Confident83.9Confident89 Ų89118.8 Ų118.847%0.46662%0.615SS.*  trans-85.4101.7168.2-18059.9000109.3V190 A192 L200V190-L198 HydrophobicContact CB-CD2 4.44Å; V190-L198 HydrophobicContact CG1-CD1 3.79Å; V190-L198 HydrophobicContact CG1-CD2 3.94Å; V190-L198 HydrophobicContact CG1-CG 4.49Å; A192-L198 HydrophobicContact CB-CB 3.74Å; A192-L198 HydrophobicContact CB-CD1 4.48Å; L198-L200 HydrophobicContact CD1-CD2 4.26Å; L198-L200 HydrophobicContact CG-CD2 4.48Å; L198-L200 HydrophobicContact CG-CG 4.46Å
199K87.1Confident83.9Confident141 Ų141116.9 Ų116.961%0.61359%0.594SS**  trans-98.1115.7177.8-166.2-177.8-176.7-156.80111.1D197 E201D197-K199 PolarHBondContact O-N 3.03Å; K199-E201 WeakPolarHBondContact CE-OE1 3.3Å; K199-E201 WeakPolarHBondContact CE-OE2 3.31Å; K199-E201 IonicContact NZ-OE1 3.93Å; K199-E201 PolarHBondContact NZ-OE1 2.98Å; K199-E201 IonicContact NZ-OE2 3.87Å; K199-E201 PolarHBondContact NZ-OE2 3.32Å
200L88.4Confident83.9Confident88 Ų88119.3 Ų119.346%0.46161%0.606SS.*  trans-107.2109.7169.1-54.9178.5000108.1L198 L207 L209L198-L200 HydrophobicContact CD1-CD2 4.26Å; L198-L200 HydrophobicContact CG-CD2 4.48Å; L198-L200 HydrophobicContact CG-CG 4.46Å; L200-L207 HydrophobicContact CB-CD1 4.49Å; L200-L207 HydrophobicContact CB-CD2 3.69Å; L200-L209 HydrophobicContact CD1-CD2 4.14Å
201E84Confident83.6Confident112 Ų112117.6 Ų117.652%0.52360%0.599SS.*  trans-130.7146-177.370.5-178.9145.700113.1K199 P203K199-E201 WeakPolarHBondContact CE-OE1 3.3Å; K199-E201 WeakPolarHBondContact CE-OE2 3.31Å; K199-E201 IonicContact NZ-OE1 3.93Å; K199-E201 PolarHBondContact NZ-OE1 2.98Å; K199-E201 IonicContact NZ-OE2 3.87Å; K199-E201 PolarHBondContact NZ-OE2 3.32Å; E201-P203 HydrophobicContact CG-CG 4.21Å
202S82.9Confident83.3Confident42 Ų42115.4 Ų115.429%0.29461%0.61SS.*  trans-127.691.3168.3-171.40000108.4T204 R205 T206S202-T204 VanDerWaalsContact C-N 3.29Å; S202-T204 PolarHBondContact O-N 3.16Å; S202-R205 PolarHBondContact OG-N 3.29Å; S202-R205 PolarHBondContact OG-O 3.44Å; S202-T206 VanDerWaalsContact OG-C 3.27Å; S202-T206 PolarHBondContact OG-N 2.92Å; S202-T206 PolarHBondContact OG-O 2.86Å
203P76.6Confident83.1Confident107 Ų107126.4 Ų126.470%0.69565%0.647SS**SBendtrans-66.5-30.1-172.7-24.234.9000113.8E201E201-P203 HydrophobicContact CG-CG 4.21Å
204T80.2Confident83.1Confident128 Ų128123.1 Ų123.179%0.78565%0.645SS**SBendtrans-118.6-13.1-171.357.80000114.2S202S202-T204 VanDerWaalsContact C-N 3.29Å; S202-T204 PolarHBondContact O-N 3.16Å
205R82.8Confident83.3Confident214 Ų214122 Ų12281%0.80864%0.637SS**SBendtrans-139.1-145.5-172.7-64.8-174.6178.8169.10.2110.6S202S202-R205 PolarHBondContact OG-N 3.29Å; S202-R205 PolarHBondContact OG-O 3.44Å
206T80.6Confident83.6Confident119 Ų119119.8 Ų119.873%0.7363%0.629SS**  trans-106.3148.1179.6520000109.9S202S202-T206 VanDerWaalsContact OG-C 3.27Å; S202-T206 PolarHBondContact OG-N 2.92Å; S202-T206 PolarHBondContact OG-O 2.86Å
207L84.9Confident83.7Confident90 Ų90118.9 Ų118.947%0.47163%0.631SS.*  trans-111.2115.7164.9-179.577.2000106L200 L209L200-L207 HydrophobicContact CB-CD1 4.49Å; L200-L207 HydrophobicContact CB-CD2 3.69Å; L207-L209 HydrophobicContact CD1-CD1 4.43Å; L207-L209 HydrophobicContact CD2-CD1 3.71Å; L207-L209 HydrophobicContact CG-CD1 3.66Å
208T84.9Confident83.7Confident112 Ų112116 Ų11669%0.68762%0.623SS**  trans-112.6122.3-179.9-51.40000108.7
209L83.8Confident83.6Confident89 Ų89114.2 Ų114.247%0.46662%0.621SS.*  trans-112116.2172-71.680.3000107.3L200 L207 V215L200-L209 HydrophobicContact CD1-CD2 4.14Å; L207-L209 HydrophobicContact CD1-CD1 4.43Å; L207-L209 HydrophobicContact CD2-CD1 3.71Å; L207-L209 HydrophobicContact CG-CD1 3.66Å; L209-V215 HydrophobicContact CB-CG1 4.24Å; L209-V215 HydrophobicContact CB-CG2 4.23Å; L209-V215 HydrophobicContact CD2-CG1 4.18Å
210E83.5Confident83.2Confident182 Ų182111.4 Ų111.485%0.8563%0.632SS**  trans-130.7139.4-179.6-172.7173.8-17700109.1
211A81.4Confident82.6Confident40 Ų40114.4 Ų114.433%0.33165%0.653SS.*  trans-147.8142.7-179.700000111.1R213 G214 V215A211-R213 PolarHBondContact O-N 2.87Å; A211-R213 VanDerWaalsContact O-N 3.14Å; A211-G214 WeakPolarHBondContact CB-O 3.48Å; A211-G214 PolarHBondContact O-N 2.88Å; A211-G214 VanDerWaalsContact O-N 3.08Å; A211-V215 HydrophobicContact CB-CG2 3.77Å
212P80Confident82.4Confident147 Ų147112.2 Ų112.296%0.95566%0.66SS**THydrogen-bonded Turntrans-60.2-28.7-174.8-24.632.6000114.9
213R82Confident82.5Confident257 Ų257116.1 Ų116.197%0.9768%0.678SS**THydrogen-bonded Turntrans-109.99.4179.4-60.4-166.8-168.7-1504.4113.4A211A211-R213 PolarHBondContact O-N 2.87Å; A211-R213 VanDerWaalsContact O-N 3.14Å
214G82.8Confident83Confident52 Ų52117.7 Ų117.754%0.53667%0.674SS.*  trans97.6162.6-172.200000113.3A211A211-G214 WeakPolarHBondContact CB-O 3.48Å; A211-G214 PolarHBondContact O-N 2.88Å; A211-G214 VanDerWaalsContact O-N 3.08Å
215V86.9Confident83.4Confident72 Ų72116.8 Ų116.844%0.43667%0.669SS.*  trans-106.2116.7-179.7179.90000108.1L209 A211 V217L209-V215 HydrophobicContact CB-CG1 4.24Å; L209-V215 HydrophobicContact CB-CG2 4.23Å; L209-V215 HydrophobicContact CD2-CG1 4.18Å; A211-V215 HydrophobicContact CB-CG2 3.77Å; V215-V217 HydrophobicContact CG1-CG2 3.98Å
216E87.4Confident83.6Confident170 Ų170109.6 Ų109.679%0.79466%0.655SS**  trans-95.8123.5171-172.9-177.1165.800109.2
217V86.6Confident83.7Confident93 Ų93109.8 Ų109.856%0.56466%0.661SS**  trans-115111.5173.2-173.40000107.7V215 F224V215-V217 HydrophobicContact CG1-CG2 3.98Å; V217-F224 HydrophobicContact CG1-CD2 3.86Å; V217-F224 HydrophobicContact CG1-CE2 3.55Å; V217-F224 HydrophobicContact CG1-CZ 4.35Å
218S84.3Confident83.6Confident93 Ų93108.6 Ų108.665%0.6566%0.66SS**  trans-126.5132.7-17959.40000111.4
219A84.3Confident83.5Confident51 Ų51115.4 Ų115.442%0.42167%0.673SS.*  trans-110.188171.600000107.9V221 F224A219-V221 VanDerWaalsContact C-N 3.28Å; A219-V221 PolarHBondContact O-N 3.47Å; A219-F224 HydrophobicContact CB-CB 4.22Å
220G78.4Confident83.5Confident81 Ų81119.8 Ų119.884%0.83569%0.688SS**SBendtrans-63.1-34.6-17600000113.5
221V76.9Confident83.4Confident152 Ų152118.1 Ų118.192%0.92169%0.685SS**SBendtrans-136.8125.1172.9-178.90000107.5A219A219-V221 VanDerWaalsContact C-N 3.28Å; A219-V221 PolarHBondContact O-N 3.47Å
222G79.9Confident83.5Confident65 Ų65121.3 Ų121.367%0.6770%0.696SS**SBendtrans113.5-165.8-177.800000112.7
223D85.3Confident83.8Confident124 Ų124120.9 Ų120.966%0.66369%0.685SS**  trans-105.8150.6177.256.5-27.6000111.8T225D223-T225 WeakPolarHBondContact OD2-CG2 3.41Å
224F86.8Confident84Confident141 Ų141113.8 Ų113.862%0.61867%0.666SS**  trans-104.4112.5166.4170.9-103.4000108.1V217 A219 A226V217-F224 HydrophobicContact CG1-CD2 3.86Å; V217-F224 HydrophobicContact CG1-CE2 3.55Å; V217-F224 HydrophobicContact CG1-CZ 4.35Å; A219-F224 HydrophobicContact CB-CB 4.22Å; F224-A226 HydrophobicContact CE1-CB 3.99Å; F224-A226 HydrophobicContact CZ-CB 4.04Å
225T87.2Confident84.2Confident108 Ų108118.8 Ų118.866%0.66368%0.675SS**  trans-110.2115.8178.560.90000110.7D223D223-T225 WeakPolarHBondContact OD2-CG2 3.41Å
226A87.3Confident84.1Confident63 Ų63118 Ų11852%0.52167%0.673SS.*  trans-106.4119.416900000109.4F224F224-A226 HydrophobicContact CE1-CB 3.99Å; F224-A226 HydrophobicContact CZ-CB 4.04Å
227S84.3Confident84Confident123 Ų123115.8 Ų115.886%0.8668%0.676SS**  trans-123.2131.2178.7650000111.1
228C82.4Confident84Confident66 Ų66119.2 Ų119.245%0.44669%0.691SS.*  trans-122.5148.2174.661.30000110.4K230 D231 L232C228-K230 PolarHBondContact SG-O 3.45Å; C228-D231 VanDerWaalsContact SG-C 3.53Å; C228-L232 PolarHBondContact SG-N 3.5Å
229R82.6Confident84Confident255 Ų255117.4 Ų117.496%0.96269%0.688SS**SBendtrans-78.5-28.4176.4-174.5177.1174.8-165.80.2113.1
230K82.9Confident83.8Confident180 Ų180122.7 Ų122.778%0.78370%0.704SS**SBendtrans-113.9-112.1178.3-64.9-176.4178.7-179.20108.5C228C228-K230 PolarHBondContact SG-O 3.45Å
231D80.9Confident84.2Confident147 Ų147123 Ų12379%0.78669%0.685SS**  trans-102.5143.9-173.2-48-45.5000110.8C228C228-D231 VanDerWaalsContact SG-C 3.53Å
232L85.1Confident84.7Confident107 Ų107122.9 Ų122.956%0.5667%0.672SS**  trans-103.9109.9166179.563.9000107.8C228 L234C228-L232 PolarHBondContact SG-N 3.5Å; L232-L234 HydrophobicContact CD1-CD2 4.48Å; L232-L234 HydrophobicContact CG-CD2 4.47Å; L232-L234 HydrophobicContact CG-CG 4.41Å
233L84.8Confident85.1Confident139 Ų139125 Ų12573%0.72867%0.668SS**  trans-98.3114.9175.4179.464.4000109.6Q235L233-Q235 HydrophobicContact CG-CB 4.36Å
234L87.9Confident85.2Confident108 Ų108125.5 Ų125.557%0.56567%0.67SS**  trans-103116.2167.5-59.2176.1000107.6L232 I241L232-L234 HydrophobicContact CD1-CD2 4.48Å; L232-L234 HydrophobicContact CG-CD2 4.47Å; L232-L234 HydrophobicContact CG-CG 4.41Å; L234-I241 HydrophobicContact CB-CD1 3.99Å; L234-I241 VanDerWaalsContact O-CD1 3.3Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å
235Q86.4Confident85.2Confident157 Ų157121.6 Ų121.673%0.73466%0.664SS**  trans-134.4134.2-177.1-174.7176.35.900110.4L233L233-Q235 HydrophobicContact CG-CB 4.36Å
236S83.8Confident85Confident54 Ų54124.7 Ų124.738%0.37868%0.677SS.*  trans-115.8132169.7-170.70000108.9G239S236-G239 WeakPolarHBondContact OG-CA 3.28Å; S236-G239 PolarHBondContact OG-N 2.85Å; S236-G239 PolarHBondContact OG-O 2.86Å
237S85.9Confident84.4Confident124 Ų124126.5 Ų126.587%0.86768%0.682SS**SBendtrans-89.8-33.7-176.454.70000113.8
238D86.5Confident84.3Confident165 Ų165125.1 Ų125.188%0.88266%0.664SS**SBendtrans-135.96.5-172.8-164.133000112.5
239G83.8Confident84.1Confident56 Ų56130.8 Ų130.858%0.57768%0.681SS**SBendtrans-138.6-157.9-177.400000112.1S236S236-G239 WeakPolarHBondContact OG-CA 3.28Å; S236-G239 PolarHBondContact OG-N 2.85Å; S236-G239 PolarHBondContact OG-O 2.86Å
240E81.3Confident84Confident162 Ų162124.4 Ų124.476%0.75767%0.665SS**  trans-115.1160.1178.163.8-172.9175.400111.4
241I86.5Confident83.3Confident88 Ų88119 Ų11945%0.45166%0.661SS.*  trans-101.8106167.9-60.6170.9000105.9L234 L243L234-I241 HydrophobicContact CB-CD1 3.99Å; L234-I241 VanDerWaalsContact O-CD1 3.3Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å; I241-L243 HydrophobicContact CG2-CD2 4.45Å; I241-L243 HydrophobicContact CG2-CG 4.43Å
242F86.9Confident82.6Confident148 Ų148120.1 Ų120.165%0.64967%0.667SS**  trans-98.9120.1-179-174.9-118.2000110.4D244F242-D244 HydrophobicContact CD1-CB 4.11Å; F242-D244 HydrophobicContact CE1-CB 3.44Å; F242-D244 VanDerWaalsContact CE1-CB 3.44Å; F242-D244 HydrophobicContact CZ-CB 3.74Å
243L89.4Confident81.5Confident110 Ų110117.9 Ų117.958%0.57666%0.655SS**  trans-113.897.1176.9-61177.1000108.8I241 I248I241-L243 HydrophobicContact CG2-CD2 4.45Å; I241-L243 HydrophobicContact CG2-CG 4.43Å; L243-I248 HydrophobicContact CB-CD1 3.72Å; L243-I248 HydrophobicContact CD1-CD1 4.44Å
244D87Confident79.9Confident134 Ų134116.8 Ų116.872%0.71766%0.656SS**  trans-100.5104179.5-166.7-0.8000110.9F242F242-D244 HydrophobicContact CD1-CB 4.11Å; F242-D244 HydrophobicContact CE1-CB 3.44Å; F242-D244 VanDerWaalsContact CE1-CB 3.44Å; F242-D244 HydrophobicContact CZ-CB 3.74Å
245A86.4Confident78.1Confident59 Ų59118 Ų11849%0.48866%0.662SS.*  trans-154.2150.8177.800000111.3T247 I248A245-T247 PolarHBondContact O-N 3.42Å; A245-I248 HydrophobicContact CB-CG1 4.19Å
246N82.4Confident76.1Confident174 Ų174113 Ų11393%0.9365%0.653SS**SBendtrans-60.1-26.6172.6-70.4-31.3000113
247T74.8Confident74.2Confident101 Ų101115.5 Ų115.562%0.6267%0.671SS**  trans-152123.7-179.6-54.50000110.1A245 K249A245-T247 PolarHBondContact O-N 3.42Å; T247-K249 HydrophobicContact CG2-CG 3.98Å
248I82.7Confident72.3Confident94 Ų94112.3 Ų112.348%0.48265%0.651SS.*  trans-110.8124.9171.5-58.9172.6000107.4L243 A245L243-I248 HydrophobicContact CB-CD1 3.72Å; L243-I248 HydrophobicContact CD1-CD1 4.44Å; A245-I248 HydrophobicContact CB-CG1 4.19Å
249K77.4Confident70.3Confident184 Ų184110.5 Ų110.580%0.864%0.641SS**  trans-115.1120.3179.4-64.4-176.2-178176.50109.8T247T247-K249 HydrophobicContact CG2-CG 3.98Å
250L80.4Confident68.5Low121 Ų121112.3 Ų112.363%0.63464%0.637SS**  trans-110.198.4172.5-65.8157.6000107.7I253L250-I253 HydrophobicContact CB-CD1 3.32Å; L250-I253 HydrophobicContact CB-CG1 3.92Å; L250-I253 HydrophobicContact CD1-CD1 4.12Å; L250-I253 HydrophobicContact CG-CD1 4.32Å
251G69.7Low67Low68 Ų68108.8 Ų108.870%0.70163%0.628SS**THydrogen-bonded Turntrans-79.9151.8-178.200000112.5I253G251-I253 PolarHBondContact O-N 3.28Å; G251-I253 VanDerWaalsContact O-N 3.12Å
252N66.2Low65.1Low170 Ų170109.1 Ų109.191%0.90963%0.63SS**THydrogen-bonded Turntrans54.129.5174.2-64-16000115P254N252-P254 WeakPolarHBondContact O-CD 3.42Å
253I62Low63.1Low60 Ų60110.5 Ų110.531%0.30864%0.639SS.*PPolyproline II helixtrans-62.1122.6167.8-59.9166.2000106.9L250 G251 L255 L287L250-I253 HydrophobicContact CB-CD1 3.32Å; L250-I253 HydrophobicContact CB-CG1 3.92Å; L250-I253 HydrophobicContact CD1-CD1 4.12Å; L250-I253 HydrophobicContact CG-CD1 4.32Å; G251-I253 PolarHBondContact O-N 3.28Å; G251-I253 VanDerWaalsContact O-N 3.12Å; I253-L255 PolarHBondContact O-N 3.24Å; I253-L287 HydrophobicContact CD1-CD1 3.75Å; I253-L287 HydrophobicContact CG2-CD1 4.46Å
254P50.2Low61.2Low116 Ų116108.9 Ų108.975%0.75365%0.648SS**PPolyproline II helixtrans-58.8117.9176.522.1-30.4000108.6N252 G256N252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-G256 PolarHBondContact O-N 2.88Å
255L49.9Very low59.4Low132 Ų132104.3 Ų104.369%0.69163%0.629SS**PPolyproline II helixtrans-65.2123.4178.1-69.1159.5000108.1I253 S257 L289I253-L255 PolarHBondContact O-N 3.24Å; L255-S257 PolarHBondContact O-N 2.94Å; L255-S257 VanDerWaalsContact O-N 3.1Å; L255-L289 HydrophobicContact CD2-CD1 3.27Å; L255-L289 HydrophobicContact CD2-CD2 4.48Å; L255-L289 HydrophobicContact CD2-CG 3.8Å
256G44.5Very low57.7Low52 Ų52105.9 Ų105.954%0.53663%0.634SS.*  trans-59.8114.2159.600000107.1P254 A258P254-G256 PolarHBondContact O-N 2.88Å; G256-A258 PolarHBondContact O-N 3.25Å
257S43.9Very low56Low108 Ų108104.3 Ų104.376%0.75563%0.634SS**  trans-65.610117655.90000108.1L255 I259L255-S257 PolarHBondContact O-N 2.94Å; L255-S257 VanDerWaalsContact O-N 3.1Å; S257-I259 PolarHBondContact O-N 3.49Å; S257-I259 VanDerWaalsContact O-N 3.15Å
258A47.1Very low55Low56 Ų56103.1 Ų103.146%0.46364%0.642SS.*  trans-55.9114.8153.700000106.3G256 D260 W307G256-A258 PolarHBondContact O-N 3.25Å; A258-D260 PolarHBondContact O-N 2.86Å; A258-W307 HydrophobicContact CB-CZ2 4.18Å
259I44Very low53.6Low128 Ų128101.8 Ų101.866%0.65664%0.638SS**  trans-57.1124.5171.6-54.4165.2000105.6S257 P261S257-I259 PolarHBondContact O-N 3.49Å; S257-I259 VanDerWaalsContact O-N 3.15Å; I259-P261 WeakPolarHBondContact O-CD 3.43Å
260D45.6Very low52.1Low93 Ų9399.9 Ų99.950%0.49764%0.642SS.*  trans-57.6123.3178.3-168.9-11.7000108.4A258 L262 E263A258-D260 PolarHBondContact O-N 2.86Å; D260-L262 PolarHBondContact O-N 2.83Å; D260-L262 WeakPolarHBondContact OD1-CB 3.3Å; D260-L262 WeakPolarHBondContact OD1-CD1 3.27Å; D260-L262 PolarHBondContact OD1-N 3.31Å; D260-L262 VanDerWaalsContact OD1-N 3.11Å; D260-E263 PolarHBondContact O-N 3.38Å; D260-E263 VanDerWaalsContact O-N 3.11Å
261P49Very low50.8Low88 Ų88103 Ų10357%0.57165%0.647SS**THydrogen-bonded Turntrans-60.8-3.4173.625.4-34.2000113I259 W307I259-P261 WeakPolarHBondContact O-CD 3.43Å; P261-W307 HydrophobicContact CG-CH2 4.05Å
262L47.5Very low49.9Very low95 Ų95105.8 Ų105.850%0.49765%0.65SS.*THydrogen-bonded Turntrans-83.4-2.2172.1-73.6150.1000115.6D260 G264 A265D260-L262 PolarHBondContact O-N 2.83Å; D260-L262 WeakPolarHBondContact OD1-CB 3.3Å; D260-L262 WeakPolarHBondContact OD1-CD1 3.27Å; D260-L262 PolarHBondContact OD1-N 3.31Å; D260-L262 VanDerWaalsContact OD1-N 3.11Å; L262-G264 PolarHBondContact O-N 3.23Å; L262-A265 HydrophobicContact CD2-CB 4.2Å
263E44.8Very low49.2Very low178 Ų178107.2 Ų107.283%0.83265%0.648SS**SBendtrans-7276.6160.8-91.3-152.4148.100110.1D260D260-E263 PolarHBondContact O-N 3.38Å; D260-E263 VanDerWaalsContact O-N 3.11Å
264G48.9Very low48.9Very low75 Ų75107.8 Ų107.877%0.77365%0.65SS**SBendtrans128.70.6171.300000116.6L262L262-G264 PolarHBondContact O-N 3.23Å
265A50.5Low49.1Very low39 Ų39108.5 Ų108.532%0.32265%0.652SS.*PPolyproline II helixtrans-75.3136.1-178.400000112.5L262L262-A265 HydrophobicContact CD2-CB 4.2Å
266P50.2Low49.4Very low91 Ų91106.8 Ų106.859%0.59165%0.647SS**PPolyproline II helixtrans-64147-179.222.8-30.9000112.4G268P266-G268 PolarHBondContact O-N 2.92Å; P266-G268 VanDerWaalsContact O-N 3.16Å
267P46.1Very low50.6Low141 Ų141110.2 Ų110.292%0.91665%0.645SS**THydrogen-bonded Turntrans-63.3117.2-177.923.7-31.5000111
268G54.8Low51.7Low77 Ų77107.6 Ų107.679%0.79462%0.62SS**THydrogen-bonded Turntrans139-4.8177.500000115.8P266 T270P266-G268 PolarHBondContact O-N 2.92Å; P266-G268 VanDerWaalsContact O-N 3.16Å; G268-T270 PolarHBondContact O-N 3.36Å
269T53.7Low52.9Low66 Ų66109.5 Ų109.541%0.40562%0.622SS.*  trans-86.5109.5178.649.90000111.7Y271T269-Y271 HydrophobicContact CG2-CE2 4.49Å; T269-Y271 PolarHBondContact O-N 3.23Å
270T44.2Very low54.3Low144 Ų144103.5 Ų103.588%0.88359%0.592SS**  trans-82.998.5167.439.30000109.6G268G268-T270 PolarHBondContact O-N 3.36Å
271Y53.2Low55.6Low187 Ų187102.8 Ų102.873%0.73360%0.599SS**  trans-90.2129.3163-77.2-82.8000109.7T269 K273T269-Y271 HydrophobicContact CG2-CE2 4.49Å; T269-Y271 PolarHBondContact O-N 3.23Å; Y271-K273 PolarHBondContact O-N 2.88Å
272T50.5Low56.5Low126 Ų12699.1 Ų99.177%0.77358%0.575SS**  trans-67.3116.6172.543.70000109.1Q274T272-Q274 PolarHBondContact O-N 2.86Å
273K51.8Low57.2Low199 Ų19999.5 Ų99.587%0.86559%0.592SS**  trans-61.1105.7175.6-165.3175.7-174.3177.30109.2Y271Y271-K273 PolarHBondContact O-N 2.88Å
274Q56.4Low58Low73 Ų7395.1 Ų95.134%0.34158%0.575SS.*  trans-72.4135.9177.3-74.2-176-26.500110.3T272 Y277 P291T272-Q274 PolarHBondContact O-N 2.86Å; Q274-Y277 PolarHBondContact O-OH 3.08Å; Q274-P291 VanDerWaalsContact OE1-CB 3.27Å
275T54.7Low58.8Low131 Ų13194.6 Ų94.680%0.80457%0.569SS**  trans-103.8-6.8-179.749.70000113.2
276V56.7Low59.3Low95 Ų9599.6 Ų99.658%0.57658%0.583SS**  trans-126.7132.4-178.2-176.30000108.2A292V276-A292 HydrophobicContact CB-CB 4.28Å; V276-A292 HydrophobicContact CG1-CB 3.98Å; V276-A292 WeakPolarHBondContact O-CB 3.49Å
277Y68.2Low60.3Low124 Ų12498.1 Ų98.149%0.48657%0.57SS.*EExtended strand (participates in β ladder)trans-128.2145.1179.7-63.5-86.6000109.1Q274 L289 S290Q274-Y277 PolarHBondContact O-OH 3.08Å; Y277-L289 HydrophobicContact CD1-CB 4.42Å; Y277-L289 HydrophobicContact CD2-CD1 4.45Å; Y277-L289 HydrophobicContact CG-CB 4.47Å; Y277-L289 HydrophobicContact CG-CD1 4.24Å; Y277-S290 CarbonylContact C-O 3.49Å; Y277-S290 VanDerWaalsContact CA-O 3.29Å; Y277-S290 WeakPolarHBondContact CA-O 3.32Å; Y277-S290 WeakPolarHBondContact CB-O 3.48Å
278E67.6Low61.4Low53 Ų5392.6 Ų92.625%0.24853%0.531CS..EExtended strand (participates in β ladder)trans-82.2143.4166.9-65.1-179.4159.900109.2L289 S290 A292 S296 T297E278-L289 CarbonylContact O-C 3.58Å; E278-L289 WeakPolarHBondContact O-CA 3.27Å; E278-S290 WeakPolarHBondContact CB-OG 3.4Å; E278-S290 PolarHBondContact N-O 2.87Å; E278-S290 PolarHBondContact O-N 3.36Å; E278-A292 HydrophobicContact CG-CB 4.2Å; E278-S296 WeakPolarHBondContact OE2-CA 2.96Å; E278-T297 PolarHBondContact OE2-N 2.88Å; E278-T297 PolarHBondContact OE2-OG1 2.85Å
279L71.9Confident62Low96 Ų9691.7 Ų91.750%0.50351%0.508SS..EExtended strand (participates in β ladder)trans-102.2107176.2-17669.3000108.7L287 L289L279-L287 HydrophobicContact CD1-CB 4.03Å; L279-L287 HydrophobicContact CD2-CD1 4.41Å; L279-L289 HydrophobicContact CD1-CD2 3.86Å
280C72.9Confident62.7Low2 Ų288.5 Ų88.51%0.01449%0.488CS..EExtended strand (participates in β ladder)trans-95.7135.1-177-57.80000111.2L287 Y288 S290 C298C280-L287 WeakPolarHBondContact O-CA 3.32Å; C280-Y288 HydrophobicContact CB-CD1 3.7Å; C280-Y288 HydrophobicContact CB-CD2 4.21Å; C280-Y288 HydrophobicContact CB-CE1 3.25Å; C280-Y288 HydrophobicContact CB-CE2 3.78Å; C280-Y288 HydrophobicContact CB-CG 4.18Å; C280-Y288 PolarHBondContact N-O 3.44Å; C280-Y288 PolarHBondContact O-N 3.27Å; C280-S290 PolarHBondContact SG-OG 3.46Å; C280-C298 VanDerWaalsContact CA-SG 3.54Å; C280-C298 HydrophobicContact CB-CB 3.76Å; C280-C298 WeakPolarHBondContact CB-SG 3.37Å; C280-C298 WeakPolarHBondContact SG-CA 3.22Å; C280-C298 WeakPolarHBondContact SG-CB 3.33Å; C280-C298 CovalentContact SG-SG 2.03Å; C280-C298 PolarHBondContact SG-SG 2.95Å
281A74.1Confident63.8Low79 Ų7983.1 Ų83.165%0.65346%0.456SS*.EExtended strand (participates in β ladder)trans-103.4120.6174.900000110.8L287A281-L287 HydrophobicContact CB-CD2 3.71Å
282C67.5Low64.2Low11 Ų1175.7 Ų75.77%0.07443%0.433CS..PPolyproline II helixtrans-77.4156.6175.6-56.40000111.5N284 G285 K286 Y288 C305C282-N284 WeakPolarHBondContact CB-OD1 3.32Å; C282-N284 PolarHBondContact O-N 2.81Å; C282-G285 PolarHBondContact O-N 3.32Å; C282-K286 HydrophobicContact CB-CB 4.36Å; C282-K286 WeakPolarHBondContact CB-O 3.23Å; C282-K286 PolarHBondContact N-O 2.74Å; C282-K286 PolarHBondContact SG-O 2.87Å; C282-Y288 VanDerWaalsContact SG-CD1 3.53Å; C282-C305 HydrophobicContact CB-CB 4.42Å; C282-C305 WeakPolarHBondContact CB-SG 3.41Å; C282-C305 WeakPolarHBondContact SG-CB 3.49Å; C282-C305 CovalentContact SG-SG 1.99Å; C282-C305 PolarHBondContact SG-SG 3.28Å
283A62.7Low64.9Low103 Ų10376.1 Ų76.185%0.85143%0.426SS*.THydrogen-bonded Turntrans-59-16.9172.400000114.2
284N61.4Low65.7Low86 Ų8677 Ų7746%0.4643%0.434SS..THydrogen-bonded Turntrans-94.28.4174.966.68.3000113.8C282 K286C282-N284 WeakPolarHBondContact CB-OD1 3.32Å; C282-N284 PolarHBondContact O-N 2.81Å; N284-K286 VanDerWaalsContact C-N 3.27Å; N284-K286 PolarHBondContact O-N 3.49Å; N284-K286 VanDerWaalsContact OD1-CB 3.3Å; N284-K286 WeakPolarHBondContact OD1-CB 3.35Å; N284-K286 WeakPolarHBondContact OD1-CG 3.31Å; N284-K286 PolarHBondContact OD1-N 2.84Å
285G64.9Low66Low63 Ų6375.7 Ų75.765%0.64944%0.439SS*.SBendtrans78.30.3179.500000115.2C282C282-G285 PolarHBondContact O-N 3.32Å
286K62.8Low66.4Low145 Ų14574 Ų7463%0.6343%0.433SS*.  trans-72.5135172.3-65.7-175.9179.9-177.30109.8C282 N284C282-K286 HydrophobicContact CB-CB 4.36Å; C282-K286 WeakPolarHBondContact CB-O 3.23Å; C282-K286 PolarHBondContact N-O 2.74Å; C282-K286 PolarHBondContact SG-O 2.87Å; N284-K286 VanDerWaalsContact C-N 3.27Å; N284-K286 PolarHBondContact O-N 3.49Å; N284-K286 VanDerWaalsContact OD1-CB 3.3Å; N284-K286 WeakPolarHBondContact OD1-CB 3.35Å; N284-K286 WeakPolarHBondContact OD1-CG 3.31Å; N284-K286 PolarHBondContact OD1-N 2.84Å
287L71.1Confident66.9Low60 Ų6070.8 Ų70.831%0.31441%0.413SS..EExtended strand (participates in β ladder)trans-98.1135.2172.3-59.9175000108.8I253 L279 C280 A281I253-L287 HydrophobicContact CD1-CD1 3.75Å; I253-L287 HydrophobicContact CG2-CD1 4.46Å; L279-L287 HydrophobicContact CD1-CB 4.03Å; L279-L287 HydrophobicContact CD2-CD1 4.41Å; C280-L287 WeakPolarHBondContact O-CA 3.32Å; A281-L287 HydrophobicContact CB-CD2 3.71Å
288Y68Low67Low25 Ų2567.3 Ų67.310%0.09841%0.407CS..EExtended strand (participates in β ladder)trans-135.3155.5172.973.4-84000110.6C280 C282 Q299 C305C280-Y288 HydrophobicContact CB-CD1 3.7Å; C280-Y288 HydrophobicContact CB-CD2 4.21Å; C280-Y288 HydrophobicContact CB-CE1 3.25Å; C280-Y288 HydrophobicContact CB-CE2 3.78Å; C280-Y288 HydrophobicContact CB-CG 4.18Å; C280-Y288 PolarHBondContact N-O 3.44Å; C280-Y288 PolarHBondContact O-N 3.27Å; C282-Y288 VanDerWaalsContact SG-CD1 3.53Å; Y288-Q299 PolarHBondContact OH-N 3.4Å; Y288-Q299 VanDerWaalsContact OH-N 3.08Å; Y288-Q299 PolarHBondContact OH-O 2.85Å; Y288-C305 HydrophobicContact CD1-CB 3.49Å; Y288-C305 VanDerWaalsContact CD1-CB 3.49Å; Y288-C305 HydrophobicContact CE1-CB 3.49Å; Y288-C305 VanDerWaalsContact CE1-CB 3.49Å; Y288-C305 HydrophobicContact CG-CB 4.2Å
289L67.5Low66.8Low57 Ų5769.3 Ų69.330%0.29842%0.416SS..EExtended strand (participates in β ladder)trans-89.8135.1174.8-66.6-175.8000110.1L255 Y277 E278 L279L255-L289 HydrophobicContact CD2-CD1 3.27Å; L255-L289 HydrophobicContact CD2-CD2 4.48Å; L255-L289 HydrophobicContact CD2-CG 3.8Å; Y277-L289 HydrophobicContact CD1-CB 4.42Å; Y277-L289 HydrophobicContact CD2-CD1 4.45Å; Y277-L289 HydrophobicContact CG-CB 4.47Å; Y277-L289 HydrophobicContact CG-CD1 4.24Å; E278-L289 CarbonylContact O-C 3.58Å; E278-L289 WeakPolarHBondContact O-CA 3.27Å; L279-L289 HydrophobicContact CD1-CD2 3.86Å
290S68.8Low66Low0 Ų069.9 Ų69.90%042%0.424CS..EExtended strand (participates in β ladder)trans-118.9152.9167.667.70000111.3Y277 E278 C280 A292 T297Y277-S290 CarbonylContact C-O 3.49Å; Y277-S290 VanDerWaalsContact CA-O 3.29Å; Y277-S290 WeakPolarHBondContact CA-O 3.32Å; Y277-S290 WeakPolarHBondContact CB-O 3.48Å; E278-S290 WeakPolarHBondContact CB-OG 3.4Å; E278-S290 PolarHBondContact N-O 2.87Å; E278-S290 PolarHBondContact O-N 3.36Å; C280-S290 PolarHBondContact SG-OG 3.46Å; S290-A292 PolarHBondContact O-N 2.84Å; S290-T297 WeakPolarHBondContact CB-OG1 3.39Å; S290-T297 PolarHBondContact OG-OG1 3.24Å
291P66.9Low64.9Low30 Ų3073.5 Ų73.520%0.19545%0.446CS..EExtended strand (participates in β ladder)trans-52.1133.7171.2-29.938.7000112.3Q274 T297 W307Q274-P291 VanDerWaalsContact OE1-CB 3.27Å; P291-T297 WeakPolarHBondContact O-CB 3.38Å; P291-T297 VanDerWaalsContact O-CG2 3.29Å; P291-T297 WeakPolarHBondContact O-CG2 3.39Å; P291-T297 PolarHBondContact O-OG1 3.49Å; P291-W307 HydrophobicContact CG-CE3 4.25Å
292A62.4Low63.5Low32 Ų3274.4 Ų74.426%0.26445%0.448SS..  trans-81.2120.1173.400000110.7V276 E278 S290V276-A292 HydrophobicContact CB-CB 4.28Å; V276-A292 HydrophobicContact CG1-CB 3.98Å; V276-A292 WeakPolarHBondContact O-CB 3.49Å; E278-A292 HydrophobicContact CG-CB 4.2Å; S290-A292 PolarHBondContact O-N 2.84Å
293E65.7Low62.3Low135 Ų13580.4 Ų80.463%0.63148%0.479SS*.  trans-127.2-176.2177.1-65.4-165.9164.800111.4G295 T297E293-G295 PolarHBondContact O-N 3.32Å; E293-G295 VanDerWaalsContact O-N 3.08Å; E293-T297 HydrophobicContact CB-CG2 3.85Å; E293-T297 HydrophobicContact CG-CG2 3.93Å
294E68.1Low61.7Low217 Ų21782.8 Ų82.8100%1.01447%0.47SS*.SBendtrans-62.5-11.5179.3-81.7-174.2163.600114
295G61.7Low61.2Low45 Ų4580.3 Ų80.346%0.46446%0.459SS..SBendtrans-142.3164.9172.500000111.9E293 T297E293-G295 PolarHBondContact O-N 3.32Å; E293-G295 VanDerWaalsContact O-N 3.08Å; G295-T297 PolarHBondContact O-N 3.36Å
296S62.8Low60.4Low95 Ų9582.9 Ų82.966%0.66446%0.458SS*.  trans-58117.2-178.9162.70000111.3E278 C298E278-S296 WeakPolarHBondContact OE2-CA 2.96Å; S296-C298 VanDerWaalsContact C-N 3.31Å
297T68.2Low59.6Low28 Ų2879.9 Ų79.917%0.17244%0.442CS..  trans-90.42.717861.60000112.8E278 S290 P291 E293 G295 Q299E278-T297 PolarHBondContact OE2-N 2.88Å; E278-T297 PolarHBondContact OE2-OG1 2.85Å; S290-T297 WeakPolarHBondContact CB-OG1 3.39Å; S290-T297 PolarHBondContact OG-OG1 3.24Å; P291-T297 WeakPolarHBondContact O-CB 3.38Å; P291-T297 VanDerWaalsContact O-CG2 3.29Å; P291-T297 WeakPolarHBondContact O-CG2 3.39Å; P291-T297 PolarHBondContact O-OG1 3.49Å; E293-T297 HydrophobicContact CB-CG2 3.85Å; E293-T297 HydrophobicContact CG-CG2 3.93Å; G295-T297 PolarHBondContact O-N 3.36Å; T297-Q299 PolarHBondContact O-N 3.4Å
298C69.4Low58.1Low52 Ų5283.5 Ų83.535%0.35147%0.473SS..  trans-62101.9173.5-62.40000111.6C280 S296C280-C298 VanDerWaalsContact CA-SG 3.54Å; C280-C298 HydrophobicContact CB-CB 3.76Å; C280-C298 WeakPolarHBondContact CB-SG 3.37Å; C280-C298 WeakPolarHBondContact SG-CA 3.22Å; C280-C298 WeakPolarHBondContact SG-CB 3.33Å; C280-C298 CovalentContact SG-SG 2.03Å; C280-C298 PolarHBondContact SG-SG 2.95Å; S296-C298 VanDerWaalsContact C-N 3.31Å
299Q64.1Low57.6Low95 Ų9586.5 Ų86.544%0.44449%0.492SS..  trans-105.8138.1174-63.9-168.319.700111.1Y288 T297Y288-Q299 PolarHBondContact OH-N 3.4Å; Y288-Q299 VanDerWaalsContact OH-N 3.08Å; Y288-Q299 PolarHBondContact OH-O 2.85Å; T297-Q299 PolarHBondContact O-N 3.4Å
300T55.7Low57Low108 Ų10888 Ų8866%0.66350%0.502SS*.  trans-115.676.7177.2174.80000110S302T300-S302 PolarHBondContact O-N 2.91Å
301T48.6Very low56.4Low78 Ų7892.9 Ų92.948%0.47953%0.53SS..  trans-88.5103.5177.5-4.80000109.9N303 F304T301-N303 PolarHBondContact O-N 3.46Å; T301-F304 PolarHBondContact O-N 3.38Å
302S44.5Very low55.8Low98 Ų9896.6 Ų96.669%0.68555%0.549SS*.THydrogen-bonded Turntrans46.867.4165.255.50000115.8T300 F304T300-S302 PolarHBondContact O-N 2.91Å; S302-F304 PolarHBondContact O-N 2.83Å
303N44Very low55.4Low136 Ų136100.6 Ų100.673%0.72757%0.567SS**THydrogen-bonded Turntrans59.2-1.2172.4-66.1-21.9000117.2T301T301-N303 PolarHBondContact O-N 3.46Å
304F48.7Very low54.7Low154 Ų15498.3 Ų98.368%0.67556%0.563SS**  trans-115.8103.7172.2-77.5-87.6000107.8T301 S302 L306T301-F304 PolarHBondContact O-N 3.38Å; S302-F304 PolarHBondContact O-N 2.83Å; F304-L306 PolarHBondContact O-N 3.4Å
305C51.2Low53.7Low34 Ų3489.9 Ų89.923%0.2353%0.531CS..  trans-73.197172.8-67.90000109C282 Y288C282-C305 HydrophobicContact CB-CB 4.42Å; C282-C305 WeakPolarHBondContact CB-SG 3.41Å; C282-C305 WeakPolarHBondContact SG-CB 3.49Å; C282-C305 CovalentContact SG-SG 1.99Å; C282-C305 PolarHBondContact SG-SG 3.28Å; Y288-C305 HydrophobicContact CD1-CB 3.49Å; Y288-C305 VanDerWaalsContact CD1-CB 3.49Å; Y288-C305 HydrophobicContact CE1-CB 3.49Å; Y288-C305 VanDerWaalsContact CE1-CB 3.49Å; Y288-C305 HydrophobicContact CG-CB 4.2Å
306L48.9Very low53.1Low117 Ų11793.3 Ų93.361%0.61354%0.536SS*.  trans-123.1132.6170.9-68.5169.3000106.5F304F304-L306 PolarHBondContact O-N 3.4Å
307W44.3Very low52.3Low82 Ų8293.2 Ų93.231%0.31153%0.525SS..  trans-75143.2166.964.4-81.5000108.1A258 P261 P291A258-W307 HydrophobicContact CB-CZ2 4.18Å; P261-W307 HydrophobicContact CG-CH2 4.05Å; P291-W307 HydrophobicContact CG-CE3 4.25Å
308S39.7Very low50.8Low136 Ų13699.1 Ų99.195%0.95156%0.557SS**  trans-95.10172.164.30000110.9

Retrieved 308 of 308 residues in 180.2 ms (Link to these results)