A0A087YMT9_POEFO Loading...

R-spondin-2

AlphaFold DB , UniProt , Accession A0A087YMT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low46.2Very low240 Ų240166.5 Ų166.5100%1.18282%0.818SS**  081.30-55.2-138.8174.100106.9
2Q39.6Very low46.5Very low167 Ų167162.5 Ų162.578%0.7881%0.81SS**  45.4109.792.7-87.4-169.9-6.500114.5
3F40.3Very low46.8Very low183 Ų183162.1 Ų162.180%0.80381%0.811SS**  trans16082.3131.5-89.6-71.9000107.3
4R44.1Very low46.5Very low210 Ų210162.1 Ų162.179%0.79282%0.815SS**  64.19689.7-70.1-94.9178164.7-1.8112.5F6R4-F6 HydrophobicContact CB-CE2 4.36Å; R4-F6 PolarHBondContact O-N 3.5Å
5L50.9Low46.5Very low179 Ų179159.1 Ų159.194%0.93781%0.814SS**  trans-47.9113.7155.6-68.6156.4000109.1
6F46.7Very low46.4Very low184 Ų184160.3 Ų160.381%0.80782%0.817SS**  trans-94.3125.2168.7-92-82.9000110.1R4R4-F6 HydrophobicContact CB-CE2 4.36Å; R4-F6 PolarHBondContact O-N 3.5Å
7S47.1Very low46.2Very low97 Ų97162.5 Ų162.568%0.67882%0.824SS**  trans-51.8134.9-171.9-63.30000115.4A9S7-A9 PolarHBondContact O-N 3.48Å
8F46.4Very low46.1Very low192 Ų192166.4 Ų166.484%0.84283%0.829SS**SBendtrans-58.627.1155.6-90.1-96.6000114.4
9A52.1Low45.9Very low68 Ų68163.2 Ų163.256%0.56282%0.824SS**  trans-97.35.1-174.500000114.5S7S7-A9 PolarHBondContact O-N 3.48Å
10L50.2Low45.5Very low168 Ų168162.4 Ų162.488%0.8882%0.822SS**SBendtrans-1119.3178.1-80.1170.9000114.9
11I50.7Low45Very low143 Ų143161.2 Ų161.273%0.73383%0.827SS**SBendtrans-109.9-4.7-179.9-62.6176.4000112.8
12V49.4Very low44.6Very low119 Ų119158.2 Ų158.272%0.72181%0.81SS**SBendtrans-114.42.2-174.7-171.80000115
13L50.3Low44.7Very low157 Ų157155 Ų15582%0.82281%0.813SS**SBendtrans-115.838.8178.7-80.8167.5000114.6
14N43.5Very low44.5Very low163 Ų163152.3 Ų152.387%0.87281%0.813SS**SBendtrans-139.721.2165.8-94.9-53.9000113.9
15C46.4Very low43.8Very low117 Ų117147.7 Ų147.779%0.79181%0.813SS**SBendtrans-127.328.9179.9-74.10000113.7
16M45.5Very low43.1Very low178 Ų178147.6 Ų147.688%0.87781%0.807SS**SBendtrans-144.565.2179.1-102.4-79.6162.200111.9
17E42Very low42.3Very low197 Ų197150.2 Ų150.292%0.92181%0.812SS**  trans-16549.9149.4-110.2167.4-16800110.7
18Y44.2Very low41.4Very low233 Ų233156.4 Ų156.491%0.91482%0.821SS**  trans-106.871.6166.4-146.8-87000108.2
19S43.6Very low40.5Very low106 Ų106158.8 Ų158.874%0.74182%0.824SS**  trans-163.9130.3167.6-76.20000110.2
20N36.8Very low39.6Very low146 Ų146166.7 Ų166.778%0.78184%0.84SS**  trans92.872.4169.9-52.7-32.1000117.8
21C34.7Very low38.6Very low139 Ų139166.6 Ų166.694%0.93984%0.84SS**  trans-102.986.6141.4-70.40000109.1
22Q33Very low37.7Very low177 Ų177169.9 Ų169.983%0.82785%0.849SS**PPolyproline II helixtrans-83.8124.5157.6-90.8172.9-23.100108.2
23A41.6Very low36.7Very low100 Ų100175.3 Ų175.383%0.82686%0.856SS**PPolyproline II helixtrans-67.4137.9172.200000111
24P35.3Very low35.9Very low125 Ų125174 Ų17481%0.81285%0.854SS**PPolyproline II helixtrans-99146.1156.919.3-2.4000111.6
25S29.1Very low35.2Very low114 Ų114171.8 Ų171.880%0.79785%0.852SS**PPolyproline II helixtrans-72.9158.3-172.444.60000114.4
26H36.9Very low34.4Very low176 Ų176169.2 Ų169.282%0.81585%0.845SS**  trans-37.5128.8170.3-75.3-106000114.7
27R29Very low33.8Very low239 Ų239168.3 Ų168.390%0.90284%0.842SS**  trans-152.1108.9145.6-156.1169.8-96.7-166-7.3111.8
28W27.9Very low33.2Very low227 Ų227166 Ų16686%0.8684%0.836SS**  trans-58.6132.9167.9-88.268.2000111.2
29R28.8Very low32.5Very low243 Ų243158.1 Ų158.192%0.91783%0.826SS**  trans-138.1130.1156.6-105.6-170.8-165.3-135.44.4111.6
30R31.7Very low31.9Very low234 Ų234160.8 Ų160.888%0.88383%0.831SS**  trans-71.7147.8-174.9-79.2172.7169.6159.3-3.8113.8
31N30.9Very low31.7Very low165 Ų165160.3 Ų160.388%0.88283%0.834SS**  trans17.8136.6149.6-78.7-0.5000121.9
32K31.1Very low31.5Very low212 Ų212157 Ų15792%0.92282%0.824SS**  trans-92.2150.9155.5-94.5-177.2177.1-179.60111.7
33R29.2Very low32Very low233 Ų233158.2 Ų158.288%0.87983%0.829SS**  trans-122.9126.8153.4-114.4-173.5-94.3-166.1-4.9106.4
34V32Very low31.9Very low129 Ų129159 Ų15978%0.78283%0.826SS**  69128.3103.51790000111.1
35S29.3Very low32.1Very low117 Ų117158.2 Ų158.282%0.81882%0.821SS**  cis-170.1166.245.3-32.20000113.1
36G29.6Very low33.2Very low64 Ų64158.2 Ų158.266%0.6683%0.827SS**  trans116.2107.5141.300000117.2
37I32.2Very low33.2Very low158 Ų158154.5 Ų154.581%0.8182%0.822SS**  56.1128.38971.9164000113.8
38D30Very low33.9Very low148 Ų148149.1 Ų149.179%0.79182%0.818SS**  cis-157158.435.1-79-55.6000113.5
39G29.5Very low34.5Very low69 Ų69145.5 Ų145.571%0.71181%0.814SS**  84.1107.5125.500000124.4
40L31.1Very low35.1Very low161 Ų161137.8 Ų137.884%0.84380%0.797SS**  trans84.4119.1136.6-61.6171.3000123.7
41T33.8Very low35.9Very low136 Ų136133.8 Ų133.883%0.83479%0.794SS**  trans57.1121.2139.657.50000121.8
42G29.1Very low36.6Very low70 Ų70136.4 Ų136.472%0.72279%0.791SS**  trans137.2105.5155.500000113.2P44G42-P44 WeakPolarHBondContact O-CD 3.3Å
43Q44.1Very low37.4Very low203 Ų203130.8 Ų130.895%0.94977%0.771SS**  trans-71.6127.9156.6-82.2175.9-29.700108.4
44P39.8Very low38.2Very low117 Ų117125.9 Ų125.976%0.7676%0.761SS**  trans-144.3-175.2136.244.8-29.4000111.4G42G42-P44 WeakPolarHBondContact O-CD 3.3Å
45P40.1Very low38.8Very low107 Ų107125.1 Ų125.170%0.69576%0.76SS**  -91.4165.4-115.620.82.3000113.8S47P45-S47 PolarHBondContact O-N 3.38Å
46A50.3Low39.5Very low114 Ų114124.8 Ų124.894%0.94275%0.746SS**  trans-52.4113167.700000110.5
47S38.4Very low40Very low99 Ų99129.6 Ų129.669%0.69275%0.751SS**  trans-122.9147.4165.635.90000108.2P45P45-S47 PolarHBondContact O-N 3.38Å
48P42.4Very low40.7Very low126 Ų126130.1 Ų130.182%0.81875%0.754SS**PPolyproline II helixtrans-71.1135.6-15328.9-34.3000111S50P48-S50 PolarHBondContact O-N 3.36Å
49L41.9Very low41Very low150 Ų150131.1 Ų131.179%0.78575%0.747SS**PPolyproline II helixtrans-56.1128178.1-71.4165.3000110.1
50S41Very low41.8Very low81 Ų81133.4 Ų133.457%0.56675%0.749SS**PPolyproline II helixtrans-57.8148.2174.361.60000112P48 R52P48-S50 PolarHBondContact O-N 3.36Å; S50-R52 PolarHBondContact O-N 3.48Å
51D47.4Very low42.4Very low151 Ų151136.6 Ų136.681%0.80775%0.75SS**THydrogen-bonded Turntrans-58.425.7175.3-92.2-36.4000116I54D51-I54 VanDerWaalsContact OD1-CD1 3.3Å; D51-I54 WeakPolarHBondContact OD1-CD1 3.49Å
52R47Very low42.8Very low219 Ų219139.1 Ų139.183%0.82675%0.752SS**THydrogen-bonded Turntrans-108.3-3.7178.6-118.1176.4160.8-171.6-5.3114.4S50S50-R52 PolarHBondContact O-N 3.48Å
53D47.3Very low43.7Very low95 Ų95139.5 Ų139.551%0.50875%0.749SS.*SBendtrans-101.54.1174.9-73.8-39.4000114.4C55D53-C55 PolarHBondContact O-N 3.11Å
54I46.5Very low43.6Very low129 Ų129135.3 Ų135.366%0.66274%0.742SS**THydrogen-bonded Turntrans-84.212.8176.6-49.5178.6000111.6D51D51-I54 VanDerWaalsContact OD1-CD1 3.3Å; D51-I54 WeakPolarHBondContact OD1-CD1 3.49Å
55C44.9Very low44.2Very low113 Ų113140.6 Ų140.676%0.76475%0.749SS**THydrogen-bonded Turntrans-100.512174.2-107.60000114.4D53D53-C55 PolarHBondContact O-N 3.11Å
56H42.4Very low44.4Very low111 Ų111138 Ų13851%0.51474%0.74SS.*SBendtrans-114.3-7.3179.2-84.2-82.1000116.2R59H56-R59 PolarHBondContact CE1-NH2 3.01Å
57Q42.2Very low44.5Very low164 Ų164137 Ų13777%0.76673%0.732SS**THydrogen-bonded Turntrans-91.3-10.5178.7-114.687.64.700115.3
58L44.8Very low45.5Very low169 Ų169139 Ų13989%0.88573%0.726SS**THydrogen-bonded Turntrans-113.829.2175.3-67.7175000112.8
59R36.7Very low46.8Very low169 Ų169138.4 Ų138.464%0.63872%0.722SS**SBendtrans-60.8131.7145.3-73.6-174.2-174.6176.20.2105.5H56 R61H56-R59 PolarHBondContact CE1-NH2 3.01Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.89Å
60P46.3Very low48.4Very low117 Ų117134 Ų13476%0.7670%0.698SS**  trans-49.8113.9153.8-12.125000102.9E62P60-E62 VanDerWaalsContact C-N 3.29Å; P60-E62 PolarHBondContact O-N 3.25Å
61R43.5Very low50.4Low229 Ų229132.3 Ų132.386%0.86469%0.686SS**  trans-49.4113.1168.5-75.5-177.7176.3-153.6-1.3102.5R59 A63R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.89Å; R61-A63 PolarHBondContact O-N 3.27Å
62E43.2Very low52.4Low188 Ų188133.5 Ų133.588%0.87968%0.684SS**  trans-45.7110.2159.6-75.7-176.6138.500102.4P60 S64P60-E62 VanDerWaalsContact C-N 3.29Å; P60-E62 PolarHBondContact O-N 3.25Å; E62-S64 PolarHBondContact O-N 3.45Å
63A47.5Very low54.3Low79 Ų79124 Ų12465%0.65365%0.654SS**  trans-57.1103.7-175.500000103.2R61 Y65R61-A63 PolarHBondContact O-N 3.27Å; A63-Y65 PolarHBondContact O-N 3.46Å
64S43Very low56.5Low114 Ų114120.5 Ų120.580%0.79764%0.637SS**  trans-48.3117.4174.3175.60000104E62 G66E62-S64 PolarHBondContact O-N 3.45Å; S64-G66 PolarHBondContact O-N 2.98Å
65Y51Low58.7Low229 Ų229117.5 Ų117.590%0.89863%0.628SS**  trans-66.159.1-178.2-73.9-91.8000109.6A63 A67A63-Y65 PolarHBondContact O-N 3.46Å; Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.19Å
66G44Very low60.8Low51 Ų51116.1 Ų116.153%0.52662%0.615SS.*  trans-69.4101.7146.100000104.9S64 Y68S64-G66 PolarHBondContact O-N 2.98Å; G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.39Å
67A52.4Low63.2Low93 Ų93113.3 Ų113.377%0.76961%0.608SS**  trans-59.482.9-172.700000111.5Y65 P69Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.19Å; A67-P69 VanDerWaalsContact O-CD 3.25Å; A67-P69 WeakPolarHBondContact O-CD 3.26Å
68Y60.4Low65.4Low143 Ų143107.6 Ų107.656%0.56159%0.586SS**  trans-66.1115.2160.2-91.7-92.8000106.4G66 I70 C71G66-Y68 VanDerWaalsContact C-N 3.26Å; G66-Y68 PolarHBondContact O-N 3.39Å; Y68-I70 PolarHBondContact O-N 3.23Å; Y68-C71 PolarHBondContact O-N 3.44Å
69P68.9Low67.3Low113 Ų113109.6 Ų109.673%0.73458%0.582SS**G310 helixtrans-56.1-27.6-175.2-23.332.9000112.8A67 C71A67-P69 VanDerWaalsContact O-CD 3.25Å; A67-P69 WeakPolarHBondContact O-CD 3.26Å; P69-C71 PolarHBondContact O-N 3.37Å
70I75.7Confident69.7Low57 Ų57107.5 Ų107.529%0.29258%0.583SS.*G310 helixtrans-71.6-24.8-172.9-53.1170.4000112.5Y68 Y102 E104Y68-I70 PolarHBondContact O-N 3.23Å; I70-Y102 HydrophobicContact CG2-CD2 3.66Å; I70-Y102 HydrophobicContact CG2-CE2 4.14Å; I70-E104 HydrophobicContact CG2-CG 4.41Å
71C84.1Confident71.8Confident45 Ų45106.7 Ų106.730%0.30457%0.572SS.*G310 helixtrans-96.311.7-176.6-59.80000114.1Y68 P69 G73 C74 C77Y68-C71 PolarHBondContact O-N 3.44Å; P69-C71 PolarHBondContact O-N 3.37Å; C71-G73 PolarHBondContact O-N 3.49Å; C71-C74 HydrophobicContact CB-CB 4.44Å; C71-C74 WeakPolarHBondContact O-CB 3.21Å; C71-C74 PolarHBondContact O-N 3.31Å; C71-C77 HydrophobicContact CB-CB 3.76Å; C71-C77 WeakPolarHBondContact CB-SG 3.26Å; C71-C77 WeakPolarHBondContact SG-CB 3.49Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 3.14Å
72K88.1Confident74.1Confident176 Ų17696 Ų9677%0.76553%0.534SS*.THydrogen-bonded Turntrans-65.6128.3-179.9-170.3178.6178.6-177.70110.6C74K72-C74 PolarHBondContact O-N 3.46Å
73G88.6Confident76.5Confident20 Ų2087.2 Ų87.221%0.20649%0.493CS..THydrogen-bonded Turntrans72.115.4-17900000114.5C71 Q87 L90C71-G73 PolarHBondContact O-N 3.49Å; G73-Q87 WeakPolarHBondContact O-CG 3.32Å; G73-Q87 PolarHBondContact O-N 3.21Å; G73-L90 VanDerWaalsContact O-CD1 3.27Å; G73-L90 WeakPolarHBondContact O-CD1 3.25Å
74C92.6Very high78.5Confident22 Ų2287.2 Ų87.215%0.14949%0.485CS..EExtended strand (participates in β ladder)trans-93.8137179.4-166.70000111.5C71 K72 V76 C77 C83 N85C71-C74 HydrophobicContact CB-CB 4.44Å; C71-C74 WeakPolarHBondContact O-CB 3.21Å; C71-C74 PolarHBondContact O-N 3.31Å; K72-C74 PolarHBondContact O-N 3.46Å; C74-V76 PolarHBondContact SG-O 3.15Å; C74-C77 HydrophobicContact CB-CB 4.37Å; C74-C83 VanDerWaalsContact CA-SG 3.56Å; C74-C83 HydrophobicContact CB-CB 3.77Å; C74-C83 WeakPolarHBondContact CB-SG 3.05Å; C74-C83 WeakPolarHBondContact SG-CA 3.46Å; C74-C83 WeakPolarHBondContact SG-CB 3.39Å; C74-C83 CovalentContact SG-SG 2.02Å; C74-C83 PolarHBondContact SG-SG 3.32Å; C74-N85 PolarHBondContact SG-O 3.42Å
75S91.9Very high80.9Confident66 Ų6684.8 Ų84.846%0.46246%0.463SS..EExtended strand (participates in β ladder)trans-87.4-34.3171.361.10000112.3N85 C86S75-N85 PolarHBondContact N-O 3.13Å; S75-N85 WeakPolarHBondContact OG-CB 3.04Å; S75-N85 PolarHBondContact OG-ND2 3.23Å; S75-N85 VanDerWaalsContact OG-ND2 3.11Å; S75-N85 PolarHBondContact OG-O 3.29Å; S75-C86 PolarHBondContact OG-O 3.44Å
76V90.6Very high82.9Confident83 Ų8374.5 Ų74.550%0.50342%0.424SS..EExtended strand (participates in β ladder)trans-133.3108.3177.6-177.90000109.5C74 V84 N85C74-V76 PolarHBondContact SG-O 3.15Å; V76-V84 HydrophobicContact CG1-CB 4.42Å; V76-V84 PolarHBondContact O-N 2.04Å; V76-N85 HydrophobicContact CB-CB 4.19Å; V76-N85 HydrophobicContact CG2-CB 4.3Å; V76-N85 PolarHBondContact N-O 2.64Å; V76-N85 PolarHBondContact O-N 2.78Å
77C91.3Very high85.2Confident53 Ų5377 Ų7736%0.35842%0.422SS..EExtended strand (participates in β ladder)trans-112.9140.1-178.8-152.20000112.3C71 C74 G82C71-C77 HydrophobicContact CB-CB 3.76Å; C71-C77 WeakPolarHBondContact CB-SG 3.26Å; C71-C77 WeakPolarHBondContact SG-CB 3.49Å; C71-C77 CovalentContact SG-SG 2.03Å; C71-C77 PolarHBondContact SG-SG 3.14Å; C74-C77 HydrophobicContact CB-CB 4.37Å; C77-G82 VanDerWaalsContact SG-C 3.51Å; C77-G82 PolarHBondContact SG-O 2.87Å
78S89.3Confident86.9Confident43 Ų4378.1 Ų78.130%0.30142%0.421SS..EExtended strand (participates in β ladder)trans-113.1149.1172.5176.70000110.3D80 G82S78-D80 VanDerWaalsContact C-N 3.34Å; S78-D80 PolarHBondContact O-N 3.35Å; S78-G82 PolarHBondContact N-O 3.28Å; S78-G82 WeakPolarHBondContact O-CA 3.43Å; S78-G82 PolarHBondContact O-N 3.24Å; S78-G82 VanDerWaalsContact O-N 3.12Å
79R84.6Confident88.3Confident212 Ų21280 Ų8080%0.843%0.433SS*.THydrogen-bonded Turntrans-65.2-37.4-179.6-170.3179.2-176.9-172.9-0.5112.6
80D86.3Confident89.5Confident124 Ų12475.3 Ų75.366%0.66340%0.401SS*.THydrogen-bonded Turntrans-97.4-34.3-172.6-59.2-55.2000112.9S78S78-D80 VanDerWaalsContact C-N 3.34Å; S78-D80 PolarHBondContact O-N 3.35Å
81N90.5Very high90.4Very high100 Ų10073 Ų7354%0.53539%0.389SS..THydrogen-bonded Turntrans-98.4-1.2-176.9-62.2-31.7000113.2Y102 G103N81-Y102 CarbonylContact O-C 3.53Å; N81-Y102 WeakPolarHBondContact O-CA 3.25Å; N81-Y102 WeakPolarHBondContact O-CB 3.39Å; N81-G103 PolarHBondContact O-N 2.87Å
82G91.9Very high91Very high5 Ų571.6 Ų71.65%0.05238%0.379CS..EExtended strand (participates in β ladder)trans64.1-142.5-172.200000111.8C77 S78C77-G82 VanDerWaalsContact SG-C 3.51Å; C77-G82 PolarHBondContact SG-O 2.87Å; S78-G82 PolarHBondContact N-O 3.28Å; S78-G82 WeakPolarHBondContact O-CA 3.43Å; S78-G82 PolarHBondContact O-N 3.24Å; S78-G82 VanDerWaalsContact O-N 3.12Å
83C92.9Very high91.3Very high4 Ų464.3 Ų64.33%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-73.5130.3-178.8-170.20000112.7C74 N85 G103 C105C74-C83 VanDerWaalsContact CA-SG 3.56Å; C74-C83 HydrophobicContact CB-CB 3.77Å; C74-C83 WeakPolarHBondContact CB-SG 3.05Å; C74-C83 WeakPolarHBondContact SG-CA 3.46Å; C74-C83 WeakPolarHBondContact SG-CB 3.39Å; C74-C83 CovalentContact SG-SG 2.02Å; C74-C83 PolarHBondContact SG-SG 3.32Å; C83-N85 VanDerWaalsContact SG-C 3.51Å; C83-N85 PolarHBondContact SG-O 3.12Å; C83-G103 WeakPolarHBondContact CB-O 3.3Å; C83-G103 PolarHBondContact N-O 3.35Å; C83-G103 WeakPolarHBondContact O-CA 3.28Å; C83-C105 PolarHBondContact SG-SG 3.42Å
84V91.4Very high91.6Very high79 Ų7967 Ų6748%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-98.1-39.6176.1-177.20000111V76V76-V84 HydrophobicContact CG1-CB 4.42Å; V76-V84 PolarHBondContact O-N 2.04Å
85N91.6Very high91.6Very high62 Ų6271.2 Ų71.233%0.33237%0.369SS..EExtended strand (participates in β ladder)trans-134.1129.8176.8-168.432000111.1C74 S75 V76 C83C74-N85 PolarHBondContact SG-O 3.42Å; S75-N85 PolarHBondContact N-O 3.13Å; S75-N85 WeakPolarHBondContact OG-CB 3.04Å; S75-N85 PolarHBondContact OG-ND2 3.23Å; S75-N85 VanDerWaalsContact OG-ND2 3.11Å; S75-N85 PolarHBondContact OG-O 3.29Å; V76-N85 HydrophobicContact CB-CB 4.19Å; V76-N85 HydrophobicContact CG2-CB 4.3Å; V76-N85 PolarHBondContact N-O 2.64Å; V76-N85 PolarHBondContact O-N 2.78Å; C83-N85 VanDerWaalsContact SG-C 3.51Å; C83-N85 PolarHBondContact SG-O 3.12Å
86C93.5Very high91.6Very high13 Ų1377.4 Ų77.49%0.08838%0.382CS..EExtended strand (participates in β ladder)trans-85.5161.5179.6-65.90000111.7S75 L90 C105S75-C86 PolarHBondContact OG-O 3.44Å; C86-L90 HydrophobicContact CB-CB 3.98Å; C86-C105 WeakPolarHBondContact CA-SG 3.06Å; C86-C105 HydrophobicContact CB-CB 3.89Å; C86-C105 WeakPolarHBondContact CB-SG 3.49Å; C86-C105 VanDerWaalsContact SG-CA 3.53Å; C86-C105 WeakPolarHBondContact SG-CB 3.45Å; C86-C105 CovalentContact SG-SG 2.03Å; C86-C105 PolarHBondContact SG-SG 2.82Å
87Q91.9Very high91.6Very high103 Ų10378.4 Ų78.448%0.48138%0.381SS..PPolyproline II helixtrans-62.9153.1165.1-70.6175.5-4.100110.5G73 L90G73-Q87 WeakPolarHBondContact O-CG 3.32Å; G73-Q87 PolarHBondContact O-N 3.21Å; Q87-L90 HydrophobicContact CB-CD1 4.08Å; Q87-L90 PolarHBondContact O-N 3.31Å
88P88.5Confident91.6Very high117 Ų11786.9 Ų86.976%0.7641%0.406SS*.THydrogen-bonded Turntrans-51.7144174.8-24.733.6000111.3L90P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 2.82Å
89K89.6Confident91.7Very high184 Ų18493.2 Ų93.280%0.843%0.433SS*.THydrogen-bonded Turntrans78.5-16.9-175.8-48.3173.9-179.9179.20116.6
90L94.3Very high91.9Very high14 Ų1492.2 Ų92.27%0.07343%0.429CS..PPolyproline II helixtrans-86.4154.9173.4-63.1174.4000111.1G73 C86 Q87 P88 C105 H107 N122G73-L90 VanDerWaalsContact O-CD1 3.27Å; G73-L90 WeakPolarHBondContact O-CD1 3.25Å; C86-L90 HydrophobicContact CB-CB 3.98Å; Q87-L90 HydrophobicContact CB-CD1 4.08Å; Q87-L90 PolarHBondContact O-N 3.31Å; P88-L90 VanDerWaalsContact C-N 3.29Å; P88-L90 PolarHBondContact O-N 2.82Å; L90-C105 HydrophobicContact CB-CB 4.22Å; L90-C105 HydrophobicContact CD1-CB 3.95Å; L90-H107 VanDerWaalsContact CD2-CE1 3.43Å; L90-H107 WeakPolarHBondContact CD2-CE1 3.25Å; L90-H107 WeakPolarHBondContact CD2-ND1 3.05Å; L90-N122 WeakPolarHBondContact O-CB 3.37Å
91F95.8Very high92.2Very high7 Ų791.6 Ų91.63%0.03142%0.422CS..EExtended strand (participates in β ladder)trans-101.8131174.7-65.2-91.9000111.1F93 C105 L106 H107 G115 R117 N122 C124F91-F93 PolarHBondContact O-N 2.91Å; F91-C105 WeakPolarHBondContact O-CA 3.36Å; F91-L106 PolarHBondContact N-O 2.86Å; F91-L106 PolarHBondContact O-N 3.22Å; F91-H107 WeakPolarHBondContact CD2-O 3.26Å; F91-H107 WeakPolarHBondContact CE2-O 2.92Å; F91-G115 VanDerWaalsContact CE1-CA 3.45Å; F91-R117 HydrophobicContact CE1-CG 4.1Å; F91-R117 HydrophobicContact CZ-CG 4.32Å; F91-N122 WeakPolarHBondContact CA-O 3.37Å; F91-N122 HydrophobicContact CD1-CB 3.56Å; F91-N122 HydrophobicContact CE1-CB 3.82Å; F91-N122 HydrophobicContact CG-CB 4.14Å; F91-C124 VanDerWaalsContact CB-SG 3.55Å
92L94.9Very high92.3Very high17 Ų1788 Ų889%0.08940%0.402CS..EExtended strand (participates in β ladder)trans-73120.5168.9-178.564.3000109.7N122 M123 C124L92-N122 PolarHBondContact N-O 3.2Å; L92-M123 CarbonylContact O-C 3.58Å; L92-M123 WeakPolarHBondContact O-CA 3.46Å; L92-M123 WeakPolarHBondContact O-CG 3.22Å; L92-C124 PolarHBondContact O-N 3.15Å
93F95.4Very high92.3Very high22 Ų2287.9 Ų87.910%0.09640%0.4CS..EExtended strand (participates in β ladder)trans-113.9124.6174.5174.7-112.8000110F91 R95 G103 E104 L106 P110 Y113 C124F91-F93 PolarHBondContact O-N 2.91Å; F93-R95 HydrophobicContact CD1-CB 4.06Å; F93-R95 HydrophobicContact CE1-CB 3.72Å; F93-R95 HydrophobicContact CE1-CG 4.04Å; F93-R95 PolarHBondContact O-N 2.84Å; F93-G103 CarbonylContact O-C 3.51Å; F93-G103 WeakPolarHBondContact O-CA 3.36Å; F93-E104 PolarHBondContact N-O 2.8Å; F93-E104 PolarHBondContact O-N 2.85Å; F93-L106 HydrophobicContact CB-CD1 3.67Å; F93-L106 HydrophobicContact CB-CG 4.14Å; F93-L106 HydrophobicContact CD1-CD1 3.96Å; F93-L106 HydrophobicContact CG-CD1 3.87Å; F93-P110 HydrophobicContact CD2-CG 3.99Å; F93-P110 HydrophobicContact CE1-CG 4.36Å; F93-P110 HydrophobicContact CE2-CG 3.59Å; F93-P110 HydrophobicContact CZ-CG 3.81Å; F93-Y113 HydrophobicContact CD2-CD1 4.23Å; F93-Y113 HydrophobicContact CD2-CE1 4.28Å; F93-Y113 AromaticContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD2 4.08Å; F93-Y113 AromaticContact CE2-CE1 3.63Å; F93-Y113 HydrophobicContact CE2-CE1 3.63Å; F93-Y113 AromaticContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CG 4.09Å; F93-Y113 AromaticContact CE2-CZ 3.66Å; F93-Y113 HydrophobicContact CZ-CE2 4.4Å; F93-C124 HydrophobicContact CB-CB 4.2Å; F93-C124 HydrophobicContact CD2-CB 3.84Å
94L93.9Very high92.4Very high76 Ų7689.2 Ų89.240%0.39841%0.406SS..EExtended strand (participates in β ladder)trans-89.7101.3176.2-65174.7000109.6Q101L94-Q101 HydrophobicContact CB-CG 4.45Å
95R93.3Very high92.5Very high112 Ų11286.3 Ų86.342%0.42339%0.389SS..EExtended strand (participates in β ladder)trans-86.4130.6177.8-169.3167.1-178.1175.61.1110F93 Q101 Y102 E104F93-R95 HydrophobicContact CD1-CB 4.06Å; F93-R95 HydrophobicContact CE1-CB 3.72Å; F93-R95 HydrophobicContact CE1-CG 4.04Å; F93-R95 PolarHBondContact O-N 2.84Å; R95-Q101 WeakPolarHBondContact O-CA 3.42Å; R95-Y102 HydrophobicContact CB-CD2 4.32Å; R95-Y102 HydrophobicContact CB-CE2 3.99Å; R95-Y102 WeakPolarHBondContact CD-OH 3.29Å; R95-Y102 HydrophobicContact CG-CE2 4.28Å; R95-Y102 PolarHBondContact N-O 2.86Å; R95-Y102 PolarHBondContact O-N 2.94Å; R95-E104 WeakPolarHBondContact CD-OE1 3.09Å; R95-E104 IonicContact CZ-OE1 3.68Å; R95-E104 IonicContact NE-OE1 3.86Å; R95-E104 IonicContact NH1-OE1 3.11Å; R95-E104 PolarHBondContact NH1-OE1 3.04Å; R95-E104 IonicContact NH1-OE2 3.3Å
96R92.6Very high92.7Very high195 Ų19585.6 Ų85.674%0.73639%0.385SS*.EExtended strand (participates in β ladder)trans-106.1119.9174.4-173.5177.5179.3-178.12.8109.4R100R96-R100 WeakPolarHBondContact CA-O 3.43Å
97E91Very high92.7Very high105 Ų10592.1 Ų92.149%0.49141%0.414SS..EExtended strand (participates in β ladder)trans-125.7106.9176.3-171.2168.9-159.500108.4M99 R100 Y102E97-M99 PolarHBondContact O-N 3.33Å; E97-M99 VanDerWaalsContact O-N 3.1Å; E97-R100 PolarHBondContact N-O 3.31Å; E97-R100 PolarHBondContact O-N 2.04Å; E97-Y102 HydrophobicContact CB-CE1 3.9Å; E97-Y102 PolarHBondContact OE2-OH 2.79Å
98R90.1Very high92.8Very high230 Ų23093.4 Ų93.487%0.86842%0.424SS*.THydrogen-bonded Turntrans55.5-113.4-172-53.1179.7179.7-133.10.5111.2
99M91.4Very high93.1Very high177 Ų17789.2 Ų89.287%0.87240%0.397SS*.THydrogen-bonded Turntrans-95.8-8.2-179.9-64.3-62.1-70.900113.1E97E97-M99 PolarHBondContact O-N 3.33Å; E97-M99 VanDerWaalsContact O-N 3.1Å
100R88.6Confident93.3Very high190 Ų19082.7 Ų82.772%0.71737%0.373SS*.EExtended strand (participates in β ladder)trans-94.7143.5179.3-69.5-175.7174.6170-2.6110.1R96 E97R96-R100 WeakPolarHBondContact CA-O 3.43Å; E97-R100 PolarHBondContact N-O 3.31Å; E97-R100 PolarHBondContact O-N 2.04Å
101Q92.8Very high93.1Very high111 Ų11186.8 Ų86.852%0.51941%0.409SS..EExtended strand (participates in β ladder)trans-127.1125.8170.2-177.8175.2-3.400107.5L94 R95L94-Q101 HydrophobicContact CB-CG 4.45Å; R95-Q101 WeakPolarHBondContact O-CA 3.42Å
102Y92.3Very high92.8Very high26 Ų2687.8 Ų87.810%0.10242%0.421CS..EExtended strand (participates in β ladder)trans-137.5151.1-179.556.9-90.3000110.6I70 N81 R95 E97 E104I70-Y102 HydrophobicContact CG2-CD2 3.66Å; I70-Y102 HydrophobicContact CG2-CE2 4.14Å; N81-Y102 CarbonylContact O-C 3.53Å; N81-Y102 WeakPolarHBondContact O-CA 3.25Å; N81-Y102 WeakPolarHBondContact O-CB 3.39Å; R95-Y102 HydrophobicContact CB-CD2 4.32Å; R95-Y102 HydrophobicContact CB-CE2 3.99Å; R95-Y102 WeakPolarHBondContact CD-OH 3.29Å; R95-Y102 HydrophobicContact CG-CE2 4.28Å; R95-Y102 PolarHBondContact N-O 2.86Å; R95-Y102 PolarHBondContact O-N 2.94Å; E97-Y102 HydrophobicContact CB-CE1 3.9Å; E97-Y102 PolarHBondContact OE2-OH 2.79Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.85Å; Y102-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.02Å
103G93.3Very high92.7Very high2 Ų289.6 Ų89.62%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-86136.5176.300000112.2N81 C83 F93N81-G103 PolarHBondContact O-N 2.87Å; C83-G103 WeakPolarHBondContact CB-O 3.3Å; C83-G103 PolarHBondContact N-O 3.35Å; C83-G103 WeakPolarHBondContact O-CA 3.28Å; F93-G103 CarbonylContact O-C 3.51Å; F93-G103 WeakPolarHBondContact O-CA 3.36Å
104E93.9Very high92.7Very high32 Ų3289.6 Ų89.615%0.1543%0.427CS..EExtended strand (participates in β ladder)trans-122.4148.3168.8-67.4179.2170.600108.7I70 F93 R95 Y102I70-E104 HydrophobicContact CG2-CG 4.41Å; F93-E104 PolarHBondContact N-O 2.8Å; F93-E104 PolarHBondContact O-N 2.85Å; R95-E104 WeakPolarHBondContact CD-OE1 3.09Å; R95-E104 IonicContact CZ-OE1 3.68Å; R95-E104 IonicContact NE-OE1 3.86Å; R95-E104 IonicContact NH1-OE1 3.11Å; R95-E104 PolarHBondContact NH1-OE1 3.04Å; R95-E104 IonicContact NH1-OE2 3.3Å; Y102-E104 HydrophobicContact CD2-CG 4Å; Y102-E104 HydrophobicContact CE2-CG 3.85Å; Y102-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y102-E104 WeakPolarHBondContact CE2-OE1 3.02Å
105C94.5Very high92.7Very high18 Ų1887.4 Ų87.412%0.12242%0.423CS..EExtended strand (participates in β ladder)trans-102123.2174.1-61.40000110.4C83 C86 L90 F91C83-C105 PolarHBondContact SG-SG 3.42Å; C86-C105 WeakPolarHBondContact CA-SG 3.06Å; C86-C105 HydrophobicContact CB-CB 3.89Å; C86-C105 WeakPolarHBondContact CB-SG 3.49Å; C86-C105 VanDerWaalsContact SG-CA 3.53Å; C86-C105 WeakPolarHBondContact SG-CB 3.45Å; C86-C105 CovalentContact SG-SG 2.03Å; C86-C105 PolarHBondContact SG-SG 2.82Å; L90-C105 HydrophobicContact CB-CB 4.22Å; L90-C105 HydrophobicContact CD1-CB 3.95Å; F91-C105 WeakPolarHBondContact O-CA 3.36Å
106L94.9Very high92.7Very high47 Ų4785.8 Ų85.825%0.24642%0.421CS..EExtended strand (participates in β ladder)trans-120.3151.4-176.9-57178.6000111F91 F93 D108F91-L106 PolarHBondContact N-O 2.86Å; F91-L106 PolarHBondContact O-N 3.22Å; F93-L106 HydrophobicContact CB-CD1 3.67Å; F93-L106 HydrophobicContact CB-CG 4.14Å; F93-L106 HydrophobicContact CD1-CD1 3.96Å; F93-L106 HydrophobicContact CG-CD1 3.87Å; L106-D108 WeakPolarHBondContact CB-O 3.13Å
107H94.1Very high92.7Very high150 Ų15085.3 Ų85.369%0.69442%0.419SS*.SBendtrans-72.9-39.7170.8-74.6-75.7000111.5L90 F91L90-H107 VanDerWaalsContact CD2-CE1 3.43Å; L90-H107 WeakPolarHBondContact CD2-CE1 3.25Å; L90-H107 WeakPolarHBondContact CD2-ND1 3.05Å; F91-H107 WeakPolarHBondContact CD2-O 3.26Å; F91-H107 WeakPolarHBondContact CE2-O 2.92Å
108D93.8Very high92.6Very high130 Ų13082.7 Ų82.770%0.69541%0.412SS*.SBendtrans-133.8148177.7-66.9-53.5000110.4L106L106-D108 WeakPolarHBondContact CB-O 3.13Å
109C94.2Very high92.4Very high29 Ų2977.6 Ų77.620%0.19641%0.409CS..PPolyproline II helixtrans-74.5143.3179.8-63.50000111.6G115 C124C109-G115 VanDerWaalsContact SG-CA 3.54Å; C109-C124 WeakPolarHBondContact CA-SG 3.28Å; C109-C124 HydrophobicContact CB-CB 3.82Å; C109-C124 WeakPolarHBondContact CB-SG 3.1Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.42Å; C109-C124 CovalentContact SG-SG 2.04Å; C109-C124 PolarHBondContact SG-SG 3.32Å
110P93.4Very high92Very high46 Ų4676 Ų7630%0.29940%0.4SS..PPolyproline II helixtrans-69.6167.7-179.829.2-34.8000112.3F93 G112 Y113F93-P110 HydrophobicContact CD2-CG 3.99Å; F93-P110 HydrophobicContact CE1-CG 4.36Å; F93-P110 HydrophobicContact CE2-CG 3.59Å; F93-P110 HydrophobicContact CZ-CG 3.81Å; P110-G112 PolarHBondContact O-N 3.08Å; P110-Y113 HydrophobicContact CG-CD2 3.96Å; P110-Y113 HydrophobicContact CG-CG 4.32Å; P110-Y113 WeakPolarHBondContact O-CB 3.44Å; P110-Y113 PolarHBondContact O-N 2.94Å
111A89.8Confident92Very high101 Ų10170.1 Ų70.184%0.83538%0.382SS*.THydrogen-bonded Turntrans-52.8137178.200000112.3Y113A111-Y113 VanDerWaalsContact C-N 3.29Å
112G90Very high92Very high27 Ų2766.5 Ų66.528%0.27837%0.366SS..THydrogen-bonded Turntrans78.86.1-173.500000114.9P110 C127P110-G112 PolarHBondContact O-N 3.08Å; G112-C127 VanDerWaalsContact O-CB 3.31Å; G112-C127 WeakPolarHBondContact O-CB 2.9Å; G112-C127 PolarHBondContact O-N 3.43Å
113Y93.9Very high92.1Very high55 Ų5568 Ų6822%0.21638%0.375CS..EExtended strand (participates in β ladder)trans-125.1152172.6-67-107000110.8F93 P110 A111 C124 S125 R126F93-Y113 HydrophobicContact CD2-CD1 4.23Å; F93-Y113 HydrophobicContact CD2-CE1 4.28Å; F93-Y113 AromaticContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD1 3.86Å; F93-Y113 HydrophobicContact CE2-CD2 4.08Å; F93-Y113 AromaticContact CE2-CE1 3.63Å; F93-Y113 HydrophobicContact CE2-CE1 3.63Å; F93-Y113 AromaticContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CE2 3.89Å; F93-Y113 HydrophobicContact CE2-CG 4.09Å; F93-Y113 AromaticContact CE2-CZ 3.66Å; F93-Y113 HydrophobicContact CZ-CE2 4.4Å; P110-Y113 HydrophobicContact CG-CD2 3.96Å; P110-Y113 HydrophobicContact CG-CG 4.32Å; P110-Y113 WeakPolarHBondContact O-CB 3.44Å; P110-Y113 PolarHBondContact O-N 2.94Å; A111-Y113 VanDerWaalsContact C-N 3.29Å; Y113-C124 HydrophobicContact CD1-CB 4.33Å; Y113-S125 CarbonylContact C-O 3.59Å; Y113-S125 WeakPolarHBondContact CA-O 3.37Å; Y113-R126 HydrophobicContact CD1-CB 3.99Å; Y113-R126 HydrophobicContact CE1-CB 3.66Å; Y113-R126 HydrophobicContact CE1-CG 4.44Å; Y113-R126 PolarHBondContact OH-NE 3.17Å; Y113-R126 PolarHBondContact OH-NH2 2.93Å; Y113-R126 VanDerWaalsContact OH-NH2 3.08Å
114Y94.7Very high92.2Very high23 Ų2368.4 Ų68.49%0.0938%0.377CS..EExtended strand (participates in β ladder)trans-123.3146.8173.870.4-86.1000110.1M116 S125 C135 F136 K138Y114-M116 HydrophobicContact CE2-CB 4.47Å; Y114-M116 HydrophobicContact CE2-CE 4.28Å; Y114-S125 VanDerWaalsContact CD1-O 3.26Å; Y114-S125 WeakPolarHBondContact CD1-O 3.2Å; Y114-S125 PolarHBondContact N-O 3.39Å; Y114-S125 PolarHBondContact O-N 3.5Å; Y114-C135 WeakPolarHBondContact CB-O 3.46Å; Y114-C135 VanDerWaalsContact CD1-SG 3.59Å; Y114-F136 WeakPolarHBondContact CD2-O 3.49Å; Y114-K138 WeakPolarHBondContact OH-CB 3.37Å
115G94.6Very high92.2Very high30 Ų3067.8 Ų67.831%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-79.8119.1179.400000111.5F91 C109F91-G115 VanDerWaalsContact CE1-CA 3.45Å; C109-G115 VanDerWaalsContact SG-CA 3.54Å
116M93.6Very high92.2Very high78 Ų7874.7 Ų74.738%0.38440%0.399SS..EExtended strand (participates in β ladder)trans-100.1127171.1-174-173.8-64.200109.1Y114 N122 M123Y114-M116 HydrophobicContact CE2-CB 4.47Å; Y114-M116 HydrophobicContact CE2-CE 4.28Å; M116-N122 CarbonylContact O-C 3.52Å; M116-N122 VanDerWaalsContact O-CA 3.25Å; M116-N122 WeakPolarHBondContact O-CA 3.49Å; M116-M123 PolarHBondContact N-O 3.43Å; M116-M123 PolarHBondContact O-N 2.72Å
117R92.1Very high92.1Very high184 Ų18473.5 Ų73.569%0.69440%0.395SS*.EExtended strand (participates in β ladder)trans-102.8104.6175.2-64.2-173167.784.8-1109.5F91 N122F91-R117 HydrophobicContact CE1-CG 4.1Å; F91-R117 HydrophobicContact CZ-CG 4.32Å; R117-N122 VanDerWaalsContact CA-OD1 3.31Å; R117-N122 WeakPolarHBondContact CA-OD1 3.47Å; R117-N122 WeakPolarHBondContact CB-OD1 3.03Å; R117-N122 WeakPolarHBondContact CG-OD1 3.37Å
118S88.2Confident92.1Very high50 Ų5076 Ų7635%0.3540%0.398SS..  trans-96.4156.1171.7-153.30000109.4E120 I121S118-E120 WeakPolarHBondContact CB-OE2 3.46Å; S118-E120 PolarHBondContact O-N 3.31Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-OE2 2.79Å; S118-I121 WeakPolarHBondContact CB-O 3.35Å; S118-I121 PolarHBondContact N-O 3.36Å; S118-I121 VanDerWaalsContact N-O 3.13Å
119P86.8Confident92.2Very high124 Ų12470.5 Ų70.581%0.80537%0.369SS*.SBendtrans-55.9-27.5173.4-24.333.9000113.5
120E82.9Confident92.1Very high143 Ų14374.7 Ų74.767%0.66839%0.389SS*.SBendtrans-94-48.5-175.2-5273.5-157.400112.3S118S118-E120 WeakPolarHBondContact CB-OE2 3.46Å; S118-E120 PolarHBondContact O-N 3.31Å; S118-E120 VanDerWaalsContact O-N 3.14Å; S118-E120 PolarHBondContact OG-OE2 2.79Å
121I87.1Confident92.1Very high67 Ų6775.3 Ų75.334%0.34439%0.39SS..  trans-146.1143.5-177.556.8171.5000111.4S118S118-I121 WeakPolarHBondContact CB-O 3.35Å; S118-I121 PolarHBondContact N-O 3.36Å; S118-I121 VanDerWaalsContact N-O 3.13Å
122N94Very high92.3Very high34 Ų3471.1 Ų71.118%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-90.1132.4165.2-50.5-54.3000108.5L90 F91 L92 M116 R117L90-N122 WeakPolarHBondContact O-CB 3.37Å; F91-N122 WeakPolarHBondContact CA-O 3.37Å; F91-N122 HydrophobicContact CD1-CB 3.56Å; F91-N122 HydrophobicContact CE1-CB 3.82Å; F91-N122 HydrophobicContact CG-CB 4.14Å; L92-N122 PolarHBondContact N-O 3.2Å; M116-N122 CarbonylContact O-C 3.52Å; M116-N122 VanDerWaalsContact O-CA 3.25Å; M116-N122 WeakPolarHBondContact O-CA 3.49Å; R117-N122 VanDerWaalsContact CA-OD1 3.31Å; R117-N122 WeakPolarHBondContact CA-OD1 3.47Å; R117-N122 WeakPolarHBondContact CB-OD1 3.03Å; R117-N122 WeakPolarHBondContact CG-OD1 3.37Å
123M94.3Very high92.5Very high59 Ų5974.2 Ų74.229%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-138.1142.9-174.7179175.159.800111.5L92 M116 S125L92-M123 CarbonylContact O-C 3.58Å; L92-M123 WeakPolarHBondContact O-CA 3.46Å; L92-M123 WeakPolarHBondContact O-CG 3.22Å; M116-M123 PolarHBondContact N-O 3.43Å; M116-M123 PolarHBondContact O-N 2.72Å; M123-S125 PolarHBondContact O-N 2.9Å
124C95.5Very high92.4Very high9 Ų973.7 Ų73.76%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-81.3114.4170.6-66.40000110.6F91 L92 F93 C109 Y113F91-C124 VanDerWaalsContact CB-SG 3.55Å; L92-C124 PolarHBondContact O-N 3.15Å; F93-C124 HydrophobicContact CB-CB 4.2Å; F93-C124 HydrophobicContact CD2-CB 3.84Å; C109-C124 WeakPolarHBondContact CA-SG 3.28Å; C109-C124 HydrophobicContact CB-CB 3.82Å; C109-C124 WeakPolarHBondContact CB-SG 3.1Å; C109-C124 WeakPolarHBondContact SG-CA 3.47Å; C109-C124 WeakPolarHBondContact SG-CB 3.42Å; C109-C124 CovalentContact SG-SG 2.04Å; C109-C124 PolarHBondContact SG-SG 3.32Å; Y113-C124 HydrophobicContact CD1-CB 4.33Å
125S94.1Very high92.4Very high20 Ų2073 Ų7314%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-102.3137.9177.1-69.70000110.6Y113 Y114 M123Y113-S125 CarbonylContact C-O 3.59Å; Y113-S125 WeakPolarHBondContact CA-O 3.37Å; Y114-S125 VanDerWaalsContact CD1-O 3.26Å; Y114-S125 WeakPolarHBondContact CD1-O 3.2Å; Y114-S125 PolarHBondContact N-O 3.39Å; Y114-S125 PolarHBondContact O-N 3.5Å; M123-S125 PolarHBondContact O-N 2.9Å
126R93.7Very high92.3Very high162 Ų16279 Ų7961%0.61138%0.382SS*.EExtended strand (participates in β ladder)trans-67.2137178.6179.9176.9-82.7168.2-7.2110.4Y113 R128Y113-R126 HydrophobicContact CD1-CB 3.99Å; Y113-R126 HydrophobicContact CE1-CB 3.66Å; Y113-R126 HydrophobicContact CE1-CG 4.44Å; Y113-R126 PolarHBondContact OH-NE 3.17Å; Y113-R126 PolarHBondContact OH-NH2 2.93Å; Y113-R126 VanDerWaalsContact OH-NH2 3.08Å; R126-R128 PolarHBondContact O-N 3.31Å
127C94.3Very high92.3Very high22 Ų2277.1 Ų77.115%0.14938%0.377CS..PPolyproline II helixtrans-64.4124.8170.7-1530000110.9G112 C135G112-C127 VanDerWaalsContact O-CB 3.31Å; G112-C127 WeakPolarHBondContact O-CB 2.9Å; G112-C127 PolarHBondContact O-N 3.43Å; C127-C135 WeakPolarHBondContact CA-SG 3.38Å; C127-C135 HydrophobicContact CB-CB 4.38Å; C127-C135 WeakPolarHBondContact CB-SG 3.39Å; C127-C135 WeakPolarHBondContact SG-CB 3.31Å; C127-C135 CovalentContact SG-SG 2.03Å; C127-C135 PolarHBondContact SG-SG 3.42Å
128R93.7Very high92.2Very high204 Ų20474 Ų7477%0.7737%0.368SS*.  trans-111.47.3179.1-61.6-173.7-175175.71.5113.2R126R126-R128 PolarHBondContact O-N 3.31Å
129I94.4Very high92.4Very high14 Ų1476.3 Ų76.37%0.07238%0.377CS..SBendtrans-79.5127.8179.3-54.2173.1000108.4C132 C135 K138 F140 C141I129-C132 HydrophobicContact CB-CB 3.76Å; I129-C132 HydrophobicContact CG2-CB 3.97Å; I129-C132 WeakPolarHBondContact O-CB 2.99Å; I129-C132 PolarHBondContact O-N 3.27Å; I129-C135 HydrophobicContact CD1-CB 3.92Å; I129-K138 WeakPolarHBondContact CG1-O 3.28Å; I129-F140 VanDerWaalsContact CD1-C 3.45Å; I129-C141 HydrophobicContact CD1-CB 3.89Å; I129-C141 VanDerWaalsContact CD1-N 3.31Å; I129-C141 HydrophobicContact CG2-CB 4.23Å
130D93.7Very high92.8Very high117 Ų11775.1 Ų75.163%0.62636%0.359SS*.THydrogen-bonded Turntrans-62.2138.1179.2-60.7-51.7000111.1C132D130-C132 PolarHBondContact O-N 2.99Å; D130-C132 VanDerWaalsContact O-N 3.08Å
131N93.3Very high93.3Very high59 Ų5968.3 Ų68.332%0.31633%0.327SS..THydrogen-bonded Turntrans56.522.6179.6-52.7-50000115.2K145 F148 C155N131-K145 WeakPolarHBondContact O-CG 3.43Å; N131-K145 PolarHBondContact O-N 3.39Å; N131-F148 HydrophobicContact CB-CD1 3.65Å; N131-F148 HydrophobicContact CB-CD2 3.82Å; N131-F148 HydrophobicContact CB-CE1 3.73Å; N131-F148 HydrophobicContact CB-CE2 3.87Å; N131-F148 HydrophobicContact CB-CG 3.72Å; N131-F148 HydrophobicContact CB-CZ 3.83Å; N131-F148 WeakPolarHBondContact ND2-CE1 3.45Å; N131-F148 WeakPolarHBondContact ND2-CZ 3.4Å; N131-F148 WeakPolarHBondContact OD1-CZ 3.31Å; N131-C155 HydrophobicContact CB-CB 4.08Å; N131-C155 PolarHBondContact O-SG 2.91Å
132C94.4Very high93.6Very high13 Ų1368.3 Ų68.39%0.08833%0.331CS..EExtended strand (participates in β ladder)trans-93.2136.7175-170.50000111.4I129 D130 S134 C141I129-C132 HydrophobicContact CB-CB 3.76Å; I129-C132 HydrophobicContact CG2-CB 3.97Å; I129-C132 WeakPolarHBondContact O-CB 2.99Å; I129-C132 PolarHBondContact O-N 3.27Å; D130-C132 PolarHBondContact O-N 2.99Å; D130-C132 VanDerWaalsContact O-N 3.08Å; C132-S134 PolarHBondContact SG-O 2.72Å; C132-C141 VanDerWaalsContact CA-SG 3.59Å; C132-C141 HydrophobicContact CB-CB 4Å; C132-C141 WeakPolarHBondContact CB-SG 3.38Å; C132-C141 WeakPolarHBondContact SG-CB 3.29Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.98Å
133E92.5Very high93.5Very high92 Ų9271.8 Ų71.843%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-90.5-49.3172.9-172.9-173.4152.200110.5K143 K145E133-K143 WeakPolarHBondContact CB-O 3.05Å; E133-K143 PolarHBondContact N-O 3Å; E133-K143 IonicContact OE1-NZ 3.84Å; E133-K143 PolarHBondContact OE1-NZ 2.93Å; E133-K143 WeakPolarHBondContact OE2-CD 3.34Å; E133-K143 WeakPolarHBondContact OE2-CE 3.33Å; E133-K143 IonicContact OE2-NZ 3.09Å; E133-K143 PolarHBondContact OE2-NZ 3.42Å; E133-K145 HydrophobicContact CB-CG 4.46Å
134S91.9Very high93.5Very high43 Ų4369.8 Ų69.830%0.30134%0.335SS..EExtended strand (participates in β ladder)trans-133.5133.4175.664.10000110.7C132 C141 T142 K143C132-S134 PolarHBondContact SG-O 2.72Å; S134-C141 PolarHBondContact O-SG 2.86Å; S134-C141 VanDerWaalsContact O-SG 3.35Å; S134-T142 PolarHBondContact O-N 3.47Å; S134-T142 PolarHBondContact O-OG1 3.11Å; S134-T142 PolarHBondContact OG-OG1 3.06Å; S134-K143 PolarHBondContact N-O 2.65Å; S134-K143 PolarHBondContact O-N 2.9Å; S134-K143 VanDerWaalsContact O-N 3.09Å; S134-K143 WeakPolarHBondContact OG-CB 3.37Å
135C94.5Very high93.4Very high10 Ų1074.3 Ų74.37%0.06835%0.354CS..EExtended strand (participates in β ladder)trans-118.7150.8173.351.20000111.9Y114 C127 I129 F140Y114-C135 WeakPolarHBondContact CB-O 3.46Å; Y114-C135 VanDerWaalsContact CD1-SG 3.59Å; C127-C135 WeakPolarHBondContact CA-SG 3.38Å; C127-C135 HydrophobicContact CB-CB 4.38Å; C127-C135 WeakPolarHBondContact CB-SG 3.39Å; C127-C135 WeakPolarHBondContact SG-CB 3.31Å; C127-C135 CovalentContact SG-SG 2.03Å; C127-C135 PolarHBondContact SG-SG 3.42Å; I129-C135 HydrophobicContact CD1-CB 3.92Å; C135-F140 CarbonylContact C-O 3.57Å; C135-F140 WeakPolarHBondContact CA-O 3.49Å; C135-F140 VanDerWaalsContact CB-O 3.24Å; C135-F140 WeakPolarHBondContact CB-O 3.05Å
136F92.9Very high93.3Very high154 Ų15479 Ų7968%0.67539%0.387SS*.SBendtrans-85.6-39.6174175.7-102.6000111Y114 F140 T142Y114-F136 WeakPolarHBondContact CD2-O 3.49Å; F136-F140 HydrophobicContact CB-CD1 4.07Å; F136-F140 PolarHBondContact N-O 2.82Å; F136-T142 HydrophobicContact CB-CG2 3.65Å
137S93Very high93.1Very high39 Ų3973.9 Ų73.927%0.27339%0.385SS..SBendtrans-138.4-177.8-179.479.10000110.9D139 F140S137-D139 PolarHBondContact O-N 3.45Å; S137-D139 PolarHBondContact OG-N 3.4Å; S137-F140 PolarHBondContact N-O 3.38Å; S137-F140 WeakPolarHBondContact OG-CB 3.45Å; S137-F140 PolarHBondContact OG-N 2.96Å
138K91.4Very high93.1Very high120 Ų12075.2 Ų75.252%0.52239%0.388SS..SBendtrans-54.9-36.4176.8-171.3-177.5172.4-170.10112.9Y114 I129Y114-K138 WeakPolarHBondContact OH-CB 3.37Å; I129-K138 WeakPolarHBondContact CG1-O 3.28Å
139D91.8Very high93Very high98 Ų9867.4 Ų67.452%0.52436%0.359SS..SBendtrans-118.70.6-170.6-59.7-57.2000113.2S137S137-D139 PolarHBondContact O-N 3.45Å; S137-D139 PolarHBondContact OG-N 3.4Å
140F94.9Very high92.9Very high98 Ų9868 Ų6843%0.4336%0.362SS..  trans-123.9108.1-177-161.8-82.5000112I129 C135 F136 S137 T142I129-F140 VanDerWaalsContact CD1-C 3.45Å; C135-F140 CarbonylContact C-O 3.57Å; C135-F140 WeakPolarHBondContact CA-O 3.49Å; C135-F140 VanDerWaalsContact CB-O 3.24Å; C135-F140 WeakPolarHBondContact CB-O 3.05Å; F136-F140 HydrophobicContact CB-CD1 4.07Å; F136-F140 PolarHBondContact N-O 2.82Å; S137-F140 PolarHBondContact N-O 3.38Å; S137-F140 WeakPolarHBondContact OG-CB 3.45Å; S137-F140 PolarHBondContact OG-N 2.96Å; F140-T142 HydrophobicContact CD1-CG2 4.39Å; F140-T142 HydrophobicContact CE1-CG2 4.41Å
141C94.8Very high92.9Very high0 Ų063.4 Ų63.40%034%0.337CS..EExtended strand (participates in β ladder)trans-83.3138.4172.1-167.30000110.5I129 C132 S134 K143 L150 G153 C155I129-C141 HydrophobicContact CD1-CB 3.89Å; I129-C141 VanDerWaalsContact CD1-N 3.31Å; I129-C141 HydrophobicContact CG2-CB 4.23Å; C132-C141 VanDerWaalsContact CA-SG 3.59Å; C132-C141 HydrophobicContact CB-CB 4Å; C132-C141 WeakPolarHBondContact CB-SG 3.38Å; C132-C141 WeakPolarHBondContact SG-CB 3.29Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.98Å; S134-C141 PolarHBondContact O-SG 2.86Å; S134-C141 VanDerWaalsContact O-SG 3.35Å; C141-K143 VanDerWaalsContact SG-C 3.55Å; C141-K143 PolarHBondContact SG-O 2.81Å; C141-L150 HydrophobicContact CB-CD1 4.1Å; C141-L150 WeakPolarHBondContact O-CD1 3.45Å; C141-G153 VanDerWaalsContact CB-O 3.25Å; C141-G153 WeakPolarHBondContact CB-O 3.4Å; C141-G153 PolarHBondContact N-O 2.81Å; C141-C155 PolarHBondContact SG-SG 3.17Å
142T93.3Very high92.8Very high68 Ų6868.3 Ų68.342%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-101.7-28.4174.352.50000112.2S134 F136 F140S134-T142 PolarHBondContact O-N 3.47Å; S134-T142 PolarHBondContact O-OG1 3.11Å; S134-T142 PolarHBondContact OG-OG1 3.06Å; F136-T142 HydrophobicContact CB-CG2 3.65Å; F140-T142 HydrophobicContact CD1-CG2 4.39Å; F140-T142 HydrophobicContact CE1-CG2 4.41Å
143K91.9Very high92.6Very high107 Ų10767.8 Ų67.847%0.46535%0.352SS..EExtended strand (participates in β ladder)trans-142.3122.1179.5-166.7-175.7175.2-1560110.4E133 S134 C141E133-K143 WeakPolarHBondContact CB-O 3.05Å; E133-K143 PolarHBondContact N-O 3Å; E133-K143 IonicContact OE1-NZ 3.84Å; E133-K143 PolarHBondContact OE1-NZ 2.93Å; E133-K143 WeakPolarHBondContact OE2-CD 3.34Å; E133-K143 WeakPolarHBondContact OE2-CE 3.33Å; E133-K143 IonicContact OE2-NZ 3.09Å; E133-K143 PolarHBondContact OE2-NZ 3.42Å; S134-K143 PolarHBondContact N-O 2.65Å; S134-K143 PolarHBondContact O-N 2.9Å; S134-K143 VanDerWaalsContact O-N 3.09Å; S134-K143 WeakPolarHBondContact OG-CB 3.37Å; C141-K143 VanDerWaalsContact SG-C 3.55Å; C141-K143 PolarHBondContact SG-O 2.81Å
144C93.9Very high92.7Very high16 Ų1668.7 Ų68.711%0.10835%0.351CS..EExtended strand (participates in β ladder)trans-82.5157.5174.8-63.80000111.3F148 C155C144-F148 HydrophobicContact CB-CB 4Å; C144-C155 WeakPolarHBondContact CA-SG 3.42Å; C144-C155 HydrophobicContact CB-CB 3.78Å; C144-C155 WeakPolarHBondContact CB-SG 3.09Å; C144-C155 WeakPolarHBondContact SG-CA 3.44Å; C144-C155 WeakPolarHBondContact SG-CB 3.33Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.43Å
145K93Very high92.9Very high105 Ų10567.2 Ų67.246%0.45734%0.341SS..PPolyproline II helixtrans-63.6158.2169.4-67-179.5-173.9177.20110.2N131 E133 G147 F148N131-K145 WeakPolarHBondContact O-CG 3.43Å; N131-K145 PolarHBondContact O-N 3.39Å; E133-K145 HydrophobicContact CB-CG 4.46Å; K145-G147 PolarHBondContact O-N 1.99Å; K145-F148 HydrophobicContact CB-CD2 4.22Å; K145-F148 PolarHBondContact O-N 3.01Å
146S91.2Very high92.8Very high118 Ų11870.4 Ų70.483%0.82535%0.354SS*.THydrogen-bonded Turntrans-54.5135.6176.347.90000111.8
147G89.8Confident92.8Very high55 Ų5568.1 Ų68.157%0.56735%0.349SS*.THydrogen-bonded Turntrans83.76.2-177.500000115.3K145K145-G147 PolarHBondContact O-N 1.99Å
148F93.8Very high92.6Very high49 Ų4973.7 Ų73.722%0.21537%0.368CS..  trans-120.4142.5173.5-66.7-93.8000111.2N131 C144 K145 C155 F156 D157N131-F148 HydrophobicContact CB-CD1 3.65Å; N131-F148 HydrophobicContact CB-CD2 3.82Å; N131-F148 HydrophobicContact CB-CE1 3.73Å; N131-F148 HydrophobicContact CB-CE2 3.87Å; N131-F148 HydrophobicContact CB-CG 3.72Å; N131-F148 HydrophobicContact CB-CZ 3.83Å; N131-F148 WeakPolarHBondContact ND2-CE1 3.45Å; N131-F148 WeakPolarHBondContact ND2-CZ 3.4Å; N131-F148 WeakPolarHBondContact OD1-CZ 3.31Å; C144-F148 HydrophobicContact CB-CB 4Å; K145-F148 HydrophobicContact CB-CD2 4.22Å; K145-F148 PolarHBondContact O-N 3.01Å; F148-C155 HydrophobicContact CB-CB 4.14Å; F148-F156 CarbonylContact C-O 3.57Å; F148-F156 WeakPolarHBondContact CA-O 3.47Å; F148-D157 HydrophobicContact CD1-CB 4.42Å; F148-D157 HydrophobicContact CE1-CB 4.21Å
149Y92.3Very high92.4Very high40 Ų4069.2 Ų69.216%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-97.9133.6178.6-57.5-83.7000111.2C155 F156 D157 P165 M170 C172Y149-C155 WeakPolarHBondContact O-CA 3.45Å; Y149-F156 PolarHBondContact N-O 2.98Å; Y149-F156 PolarHBondContact O-N 2.76Å; Y149-D157 WeakPolarHBondContact CE2-O 3.47Å; Y149-P165 HydrophobicContact CD1-CB 3.67Å; Y149-P165 HydrophobicContact CD2-CB 4.41Å; Y149-P165 HydrophobicContact CE1-CB 3.26Å; Y149-P165 HydrophobicContact CE2-CB 4.08Å; Y149-P165 HydrophobicContact CG-CB 4.23Å; Y149-P165 VanDerWaalsContact CZ-CB 3.48Å; Y149-M170 WeakPolarHBondContact CA-O 3.4Å; Y149-M170 HydrophobicContact CE1-SD 4.28Å; Y149-C172 WeakPolarHBondContact CB-SG 3.42Å
150L93.6Very high92.2Very high26 Ų2666.7 Ų66.714%0.13634%0.341CS..EExtended strand (participates in β ladder)trans-79.9125.4176.1-178.669.9000110.6C141 M170 E171 C172C141-L150 HydrophobicContact CB-CD1 4.1Å; C141-L150 WeakPolarHBondContact O-CD1 3.45Å; L150-M170 PolarHBondContact N-O 3.03Å; L150-E171 HydrophobicContact CB-CG 4.16Å; L150-E171 HydrophobicContact CD2-CG 4.47Å; L150-C172 PolarHBondContact O-N 3.04Å
151H92.5Very high91.3Very high21 Ų2171.5 Ų71.510%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-138.8119.3173.4-173.470.2000110.7G153 R154 F156 F163 C172H151-G153 PolarHBondContact O-N 3.09Å; H151-G153 VanDerWaalsContact O-N 3.15Å; H151-R154 PolarHBondContact N-O 3.3Å; H151-R154 PolarHBondContact O-N 2.94Å; H151-F156 HydrophobicContact CB-CD2 3.85Å; H151-F156 HydrophobicContact CB-CE2 3.93Å; H151-F163 AromaticContact CE1-CD1 3.6Å; H151-F163 AromaticContact CE1-CD2 3.52Å; H151-F163 AromaticContact CE1-CE1 3.59Å; H151-F163 AromaticContact CE1-CE2 3.5Å; H151-F163 AromaticContact CE1-CG 3.58Å; H151-F163 AromaticContact CE1-CZ 3.56Å; H151-F163 AromaticContact ND1-CD1 4Å; H151-F163 AromaticContact ND1-CG 4Å; H151-F163 AromaticContact NE2-CE2 3.91Å; H151-C172 HydrophobicContact CB-CB 3.78Å
152K90.5Very high90.1Very high163 Ų16373.7 Ų73.771%0.70939%0.387SS*.THydrogen-bonded Turntrans4941.1177.7-62.8177.3-178.7170.20113.3
153G91.9Very high89.4Confident2 Ų273 Ų732%0.02138%0.379CS..THydrogen-bonded Turntrans79.311.1179.200000115.3C141 H151C141-G153 VanDerWaalsContact CB-O 3.25Å; C141-G153 WeakPolarHBondContact CB-O 3.4Å; C141-G153 PolarHBondContact N-O 2.81Å; H151-G153 PolarHBondContact O-N 3.09Å; H151-G153 VanDerWaalsContact O-N 3.15Å
154R94.6Very high88.6Confident110 Ų11068.1 Ų68.142%0.41536%0.358SS..EExtended strand (participates in β ladder)trans-127.6157173.6-56-172.784.591.3-1.7110.8H151 F156H151-R154 PolarHBondContact N-O 3.3Å; H151-R154 PolarHBondContact O-N 2.94Å; R154-F156 HydrophobicContact CB-CE2 3.72Å; R154-F156 HydrophobicContact CB-CZ 4.04Å
155C94.9Very high88.1Confident13 Ų1370.4 Ų70.49%0.08837%0.373CS..EExtended strand (participates in β ladder)trans-104.9131.1-176.3-58.40000110.8N131 C141 C144 F148 Y149N131-C155 HydrophobicContact CB-CB 4.08Å; N131-C155 PolarHBondContact O-SG 2.91Å; C141-C155 PolarHBondContact SG-SG 3.17Å; C144-C155 WeakPolarHBondContact CA-SG 3.42Å; C144-C155 HydrophobicContact CB-CB 3.78Å; C144-C155 WeakPolarHBondContact CB-SG 3.09Å; C144-C155 WeakPolarHBondContact SG-CA 3.44Å; C144-C155 WeakPolarHBondContact SG-CB 3.33Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 3.43Å; F148-C155 HydrophobicContact CB-CB 4.14Å; Y149-C155 WeakPolarHBondContact O-CA 3.45Å
156F93.3Very high87.6Confident76 Ų7669 Ų6933%0.33337%0.37SS..EExtended strand (participates in β ladder)trans-128.6147.7-179.3-61.4-88.1000110.9F148 Y149 H151 R154 K158F148-F156 CarbonylContact C-O 3.57Å; F148-F156 WeakPolarHBondContact CA-O 3.47Å; Y149-F156 PolarHBondContact N-O 2.98Å; Y149-F156 PolarHBondContact O-N 2.76Å; H151-F156 HydrophobicContact CB-CD2 3.85Å; H151-F156 HydrophobicContact CB-CE2 3.93Å; R154-F156 HydrophobicContact CB-CE2 3.72Å; R154-F156 HydrophobicContact CB-CZ 4.04Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 WeakPolarHBondContact CB-O 3.08Å
157D92.6Very high86.9Confident107 Ų10768.9 Ų68.957%0.57236%0.356SS*.SBendtrans-70.3-34.7172.963.2-32.8000111.5F148 Y149F148-D157 HydrophobicContact CD1-CB 4.42Å; F148-D157 HydrophobicContact CE1-CB 4.21Å; Y149-D157 WeakPolarHBondContact CE2-O 3.47Å
158K89Confident86.4Confident155 Ų15574.1 Ų74.167%0.67437%0.371SS*.SBendtrans-132.1143.7174.9-62.7-179.2-175.5177.90110.6F156F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 WeakPolarHBondContact CB-O 3.08Å
159C87Confident85.8Confident26 Ų2675.4 Ų75.418%0.17638%0.383CS..PPolyproline II helixtrans-65.5141.4177.4-68.90000112.1F163 C172C159-F163 HydrophobicContact CB-CB 4.24Å; C159-C172 WeakPolarHBondContact CA-SG 3.05Å; C159-C172 HydrophobicContact CB-CB 3.86Å; C159-C172 WeakPolarHBondContact CB-SG 3.34Å; C159-C172 WeakPolarHBondContact SG-CA 3.4Å; C159-C172 WeakPolarHBondContact SG-CB 3.01Å; C159-C172 CovalentContact SG-SG 2.05Å; C159-C172 PolarHBondContact SG-SG 2.92Å
160P86.6Confident85.5Confident46 Ų4677.2 Ų77.230%0.29939%0.394SS..PPolyproline II helixtrans-67.5164.2177.627.7-33.4000112G162 F163P160-G162 PolarHBondContact O-N 3.37Å; P160-F163 HydrophobicContact CG-CD2 4.07Å; P160-F163 PolarHBondContact O-N 3.22Å
161E77.6Confident85.3Confident199 Ų19980.2 Ų80.293%0.9341%0.408SS*.THydrogen-bonded Turntrans-53132.3-178.4-67.2-174.5177.100112.6
162G69.9Low85Confident46 Ų4679.9 Ų79.947%0.47441%0.407SS..THydrogen-bonded Turntrans89.6-7.5-177.200000114.9P160P160-G162 PolarHBondContact O-N 3.37Å
163F76.5Confident84.4Confident53 Ų5372.8 Ų72.823%0.23238%0.381CS..  trans-118.2149.4176.5-60.7-90000111H151 C159 P160 C172 G173 E174H151-F163 AromaticContact CE1-CD1 3.6Å; H151-F163 AromaticContact CE1-CD2 3.52Å; H151-F163 AromaticContact CE1-CE1 3.59Å; H151-F163 AromaticContact CE1-CE2 3.5Å; H151-F163 AromaticContact CE1-CG 3.58Å; H151-F163 AromaticContact CE1-CZ 3.56Å; H151-F163 AromaticContact ND1-CD1 4Å; H151-F163 AromaticContact ND1-CG 4Å; H151-F163 AromaticContact NE2-CE2 3.91Å; C159-F163 HydrophobicContact CB-CB 4.24Å; P160-F163 HydrophobicContact CG-CD2 4.07Å; P160-F163 PolarHBondContact O-N 3.22Å; F163-C172 HydrophobicContact CB-CB 4.03Å; F163-G173 CarbonylContact C-O 3.57Å; F163-G173 WeakPolarHBondContact CA-O 3.04Å; F163-E174 HydrophobicContact CD1-CG 3.91Å; F163-E174 HydrophobicContact CE1-CG 3.51Å; F163-E174 HydrophobicContact CZ-CG 4.4Å
164A76.9Confident83.3Confident5 Ų579.4 Ų79.44%0.04141%0.411CS..EExtended strand (participates in β ladder)trans-118.7146.5178.700000110.2L166 C172 G173 I216A164-L166 PolarHBondContact O-N 3.4Å; A164-C172 WeakPolarHBondContact O-CA 3.42Å; A164-G173 PolarHBondContact N-O 3.37Å; A164-G173 PolarHBondContact O-N 3.24Å; A164-I216 HydrophobicContact CB-CD1 3.85Å; A164-I216 HydrophobicContact CB-CG1 4.02Å; A164-I216 HydrophobicContact CB-CG2 3.78Å
165P83.1Confident81.7Confident63 Ų6374.9 Ų74.941%0.40940%0.399SS..EExtended strand (participates in β ladder)trans-67126.2173.527.4-32.5000110.2Y149Y149-P165 HydrophobicContact CD1-CB 3.67Å; Y149-P165 HydrophobicContact CD2-CB 4.41Å; Y149-P165 HydrophobicContact CE1-CB 3.26Å; Y149-P165 HydrophobicContact CE2-CB 4.08Å; Y149-P165 HydrophobicContact CG-CB 4.23Å; Y149-P165 VanDerWaalsContact CZ-CB 3.48Å
166L81.6Confident80.4Confident77 Ų7774.7 Ų74.740%0.40340%0.397SS..EExtended strand (participates in β ladder)trans-95.3108.1168.3-65.3171.8000108A164 D168 T169 M170 E171A164-L166 PolarHBondContact O-N 3.4Å; L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.04Å; L166-T169 WeakPolarHBondContact CB-OG1 3.45Å; L166-T169 PolarHBondContact O-N 2.05Å; L166-M170 WeakPolarHBondContact O-CA 3.46Å; L166-M170 PolarHBondContact O-N 2.97Å; L166-E171 WeakPolarHBondContact CB-O 3.17Å; L166-E171 PolarHBondContact N-O 3.37Å; L166-E171 PolarHBondContact O-N 3.03Å
167E77.9Confident79.2Confident115 Ų11575.2 Ų75.254%0.53740%0.401SS..THydrogen-bonded Turntrans-64.4-36-176.7-164.365.5-150.100112T169 M170E167-T169 VanDerWaalsContact C-N 3.31Å; E167-T169 PolarHBondContact O-N 3.23Å; E167-M170 WeakPolarHBondContact OE1-CE 2.99Å
168D78Confident78.5Confident164 Ų16472 Ų7288%0.87739%0.385SS*.THydrogen-bonded Turntrans-67.6-30.9-175.4-58.2-33000112.7L166L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.04Å
169T81.5Confident78.2Confident77 Ų7765.3 Ų65.347%0.47236%0.36SS..THydrogen-bonded Turntrans-115.2-6.9-176.8520000114L166 E167 E171L166-T169 WeakPolarHBondContact CB-OG1 3.45Å; L166-T169 PolarHBondContact O-N 2.05Å; E167-T169 VanDerWaalsContact C-N 3.31Å; E167-T169 PolarHBondContact O-N 3.23Å; T169-E171 PolarHBondContact O-N 3.05Å
170M86.1Confident78.2Confident77 Ų7772.7 Ų72.738%0.37939%0.392SS..THydrogen-bonded Turntrans54.439.4-173.1-64.8-77.6171.500112.3Y149 L150 L166 E167Y149-M170 WeakPolarHBondContact CA-O 3.4Å; Y149-M170 HydrophobicContact CE1-SD 4.28Å; L150-M170 PolarHBondContact N-O 3.03Å; L166-M170 WeakPolarHBondContact O-CA 3.46Å; L166-M170 PolarHBondContact O-N 2.97Å; E167-M170 WeakPolarHBondContact OE1-CE 2.99Å
171E88.4Confident78.3Confident90 Ų9074 Ų7442%0.42139%0.391SS..EExtended strand (participates in β ladder)trans-122.5153.7-178.1-72.4178.6174.200111.3L150 L166 T169 G173L150-E171 HydrophobicContact CB-CG 4.16Å; L150-E171 HydrophobicContact CD2-CG 4.47Å; L166-E171 WeakPolarHBondContact CB-O 3.17Å; L166-E171 PolarHBondContact N-O 3.37Å; L166-E171 PolarHBondContact O-N 3.03Å; T169-E171 PolarHBondContact O-N 3.05Å; E171-G173 PolarHBondContact O-N 3.04Å
172C86.4Confident78.8Confident13 Ų1366.9 Ų66.99%0.08836%0.363CS..EExtended strand (participates in β ladder)trans-88.499.2171.3-67.10000110.2Y149 L150 H151 C159 F163 A164Y149-C172 WeakPolarHBondContact CB-SG 3.42Å; L150-C172 PolarHBondContact O-N 3.04Å; H151-C172 HydrophobicContact CB-CB 3.78Å; C159-C172 WeakPolarHBondContact CA-SG 3.05Å; C159-C172 HydrophobicContact CB-CB 3.86Å; C159-C172 WeakPolarHBondContact CB-SG 3.34Å; C159-C172 WeakPolarHBondContact SG-CA 3.4Å; C159-C172 WeakPolarHBondContact SG-CB 3.01Å; C159-C172 CovalentContact SG-SG 2.05Å; C159-C172 PolarHBondContact SG-SG 2.92Å; F163-C172 HydrophobicContact CB-CB 4.03Å; A164-C172 WeakPolarHBondContact O-CA 3.42Å
173G78.6Confident79.9Confident15 Ų1572.7 Ų72.716%0.15538%0.378CS..EExtended strand (participates in β ladder)trans-93.1160.6177.100000113.3F163 A164 E171 G175F163-G173 CarbonylContact C-O 3.57Å; F163-G173 WeakPolarHBondContact CA-O 3.04Å; A164-G173 PolarHBondContact N-O 3.37Å; A164-G173 PolarHBondContact O-N 3.24Å; E171-G173 PolarHBondContact O-N 3.04Å; G173-G175 PolarHBondContact O-N 3.19Å; G173-G175 VanDerWaalsContact O-N 3.11Å
174E69.3Low80.5Confident141 Ų14172.9 Ų72.966%0.65938%0.377SS*.  trans-72.7102.6169.6-65.5-174.6-173.200108.6F163 C176F163-E174 HydrophobicContact CD1-CG 3.91Å; F163-E174 HydrophobicContact CE1-CG 3.51Å; F163-E174 HydrophobicContact CZ-CG 4.4Å; E174-C176 PolarHBondContact O-N 3.26Å
175G60.2Low81.1Confident15 Ų1574.2 Ų74.216%0.15539%0.392CS..SBendtrans-72.2-12.5-17700000114.5G173 P211G173-G175 PolarHBondContact O-N 3.19Å; G173-G175 VanDerWaalsContact O-N 3.11Å; G175-P211 WeakPolarHBondContact O-CA 3.49Å; G175-P211 VanDerWaalsContact O-CB 3.3Å; G175-P211 WeakPolarHBondContact O-CB 3.34Å
176C67.4Low81.4Confident9 Ų974.6 Ų74.66%0.06140%0.4CS..  trans-142.5115177.6-620000110.8E174 V178 P211 C218E174-C176 PolarHBondContact O-N 3.26Å; C176-V178 PolarHBondContact O-N 3.16Å; C176-P211 VanDerWaalsContact SG-CD 3.53Å; C176-C218 HydrophobicContact CB-CB 3.63Å; C176-C218 WeakPolarHBondContact CB-SG 3.4Å; C176-C218 WeakPolarHBondContact SG-CA 3.42Å; C176-C218 WeakPolarHBondContact SG-CB 3.25Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.42Å
177E68.4Low81.9Confident86 Ų8672.3 Ų72.340%0.40239%0.39SS..EExtended strand (participates in β ladder)trans-75122.2165.9-68.1177.8-165.900108.4V208 K209E177-V208 HydrophobicContact CB-CB 4.45Å; E177-V208 PolarHBondContact O-N 2.9Å; E177-K209 HydrophobicContact CB-CB 4.07Å; E177-K209 HydrophobicContact CB-CG 4.37Å; E177-K209 HydrophobicContact CG-CB 4.45Å; E177-K209 HydrophobicContact CG-CD 4.47Å; E177-K209 PolarHBondContact N-O 2.87Å; E177-K209 PolarHBondContact O-N 2.95Å; E177-K209 VanDerWaalsContact O-N 3.15Å; E177-K209 IonicContact OE1-NZ 2.8Å; E177-K209 PolarHBondContact OE1-NZ 3.35Å; E177-K209 WeakPolarHBondContact OE2-CD 3.49Å; E177-K209 WeakPolarHBondContact OE2-CE 3.4Å; E177-K209 WeakPolarHBondContact OE2-CG 3.26Å; E177-K209 IonicContact OE2-NZ 2.87Å; E177-K209 PolarHBondContact OE2-NZ 2.76Å
178V78.8Confident82.4Confident41 Ų4169 Ų6925%0.24838%0.378CS..EExtended strand (participates in β ladder)trans-110.1143.5177.4-71.60000110.3C176 R205 I207 P219C176-V178 PolarHBondContact O-N 3.16Å; V178-R205 VanDerWaalsContact CG2-NH1 3.28Å; V178-I207 HydrophobicContact CG1-CG1 4.24Å; V178-P219 HydrophobicContact CG1-CG 3.92Å; V178-P219 HydrophobicContact CG2-CG 4.42Å
179G81.7Confident82.8Confident14 Ų1462.5 Ų62.514%0.14434%0.341CS..  trans-74.2178.1-178.800000112.7H206G179-H206 PolarHBondContact N-O 3.38Å
180Q88Confident82.8Confident181 Ų18164.4 Ų64.485%0.84634%0.34SS*.PPolyproline II helixtrans-61.2148.4172.7-70.7-178.9-5.400111.1R205Q180-R205 WeakPolarHBondContact O-CB 3.02Å
181W87.8Confident82.7Confident72 Ų7268.2 Ų68.227%0.27336%0.362SS..PPolyproline II helixtrans-65.6141171.9-74.5108.5000110.9R203 R205 I221 E223W181-R203 HydrophobicContact CD2-CG 4.26Å; W181-R203 HydrophobicContact CE3-CB 4.42Å; W181-R203 HydrophobicContact CE3-CG 3.68Å; W181-R203 HydrophobicContact CZ3-CG 4.13Å; W181-R205 HydrophobicContact CD2-CB 4.11Å; W181-R205 HydrophobicContact CD2-CG 4.1Å; W181-R205 HydrophobicContact CE3-CB 3.8Å; W181-R205 HydrophobicContact CE3-CG 3.81Å; W181-R205 HydrophobicContact CH2-CG 3.9Å; W181-R205 HydrophobicContact CZ2-CG 4.18Å; W181-R205 VanDerWaalsContact CZ2-NE 3.29Å; W181-R205 HydrophobicContact CZ3-CB 4.16Å; W181-R205 HydrophobicContact CZ3-CG 3.71Å; W181-I221 WeakPolarHBondContact CZ3-O 3.28Å; W181-E223 HydrophobicContact CH2-CB 3.85Å; W181-E223 HydrophobicContact CZ2-CB 4.37Å; W181-E223 HydrophobicContact CZ3-CB 4.08Å
182S88.6Confident82.5Confident50 Ų5069 Ų6935%0.3536%0.363SS..PPolyproline II helixtrans-62.7162.2164.875.20000110.8T204S182-T204 VanDerWaalsContact CB-O 3.26Å; S182-T204 WeakPolarHBondContact CB-O 3.42Å; S182-T204 PolarHBondContact N-O 3.08Å; S182-T204 PolarHBondContact OG-N 2.96Å; S182-T204 VanDerWaalsContact OG-N 3.08Å; S182-T204 PolarHBondContact OG-O 2.04Å
183E92.5Very high82.4Confident168 Ų16872.5 Ų72.579%0.78539%0.385SS*.PPolyproline II helixtrans-55.3153.5161.2-68.7-56.1132.600111G185E183-G185 PolarHBondContact O-N 3.37Å
184W89.9Confident82.7Confident57 Ų5773 Ų7322%0.21639%0.385CS..PPolyproline II helixtrans-66.4128.5177.4-7196.7000110.5E201 R203 E223 R225W184-E201 HydrophobicContact CB-CG 4.48Å; W184-E201 WeakPolarHBondContact CB-OE2 3.24Å; W184-E201 HydrophobicContact CD2-CG 4.18Å; W184-E201 HydrophobicContact CE3-CB 4.25Å; W184-E201 HydrophobicContact CE3-CG 3.67Å; W184-E201 HydrophobicContact CZ3-CG 4.27Å; W184-R203 HydrophobicContact CD2-CB 4.16Å; W184-R203 HydrophobicContact CD2-CG 4.15Å; W184-R203 HydrophobicContact CE3-CB 3.85Å; W184-R203 HydrophobicContact CE3-CG 3.81Å; W184-R203 HydrophobicContact CH2-CG 3.77Å; W184-R203 VanDerWaalsContact CZ2-CD 3.46Å; W184-R203 HydrophobicContact CZ2-CG 4.08Å; W184-R203 VanDerWaalsContact CZ2-NE 3.31Å; W184-R203 HydrophobicContact CZ3-CB 4.14Å; W184-R203 HydrophobicContact CZ3-CG 3.62Å; W184-E223 HydrophobicContact CH2-CB 4.43Å; W184-E223 HydrophobicContact CH2-CG 4.03Å; W184-R225 HydrophobicContact CD2-CG 4.45Å; W184-R225 VanDerWaalsContact CE2-CZ 3.43Å; W184-R225 HydrophobicContact CE3-CG 4.07Å; W184-R225 HydrophobicContact CH2-CB 4.07Å; W184-R225 HydrophobicContact CH2-CG 3.68Å; W184-R225 HydrophobicContact CZ2-CG 4.1Å; W184-R225 HydrophobicContact CZ3-CB 4.25Å; W184-R225 HydrophobicContact CZ3-CG 3.67Å
185G88.9Confident83.3Confident34 Ų3468.5 Ų68.535%0.35138%0.377SS..PPolyproline II helixtrans-64.5169.1173.100000112.7E183 C187 E201 T202E183-G185 PolarHBondContact O-N 3.37Å; G185-C187 PolarHBondContact O-N 2.89Å; G185-E201 VanDerWaalsContact O-CB 3.31Å; G185-E201 WeakPolarHBondContact O-CB 3.21Å; G185-T202 PolarHBondContact N-O 2.82Å
186A89.6Confident84.5Confident70 Ų7070 Ų7058%0.57938%0.378SS*.PPolyproline II helixtrans-59.4137.2-179.900000112.2T188A186-T188 HydrophobicContact CB-CG2 4.24Å; A186-T188 VanDerWaalsContact O-CG2 3.28Å; A186-T188 WeakPolarHBondContact O-CG2 2.9Å; A186-T188 PolarHBondContact O-N 3.02Å
187C91Very high85.3Confident29 Ų2975.3 Ų75.320%0.19640%0.4CS..  trans-64.4106.1174.8-174.60000110.9G185 C227 M229G185-C187 PolarHBondContact O-N 2.89Å; C187-C227 WeakPolarHBondContact CA-SG 3.37Å; C187-C227 HydrophobicContact CB-CB 3.74Å; C187-C227 WeakPolarHBondContact CB-SG 3.43Å; C187-C227 VanDerWaalsContact SG-C 3.58Å; C187-C227 WeakPolarHBondContact SG-CB 3.21Å; C187-C227 CovalentContact SG-SG 1.99Å; C187-C227 PolarHBondContact SG-SG 2.89Å; C187-M229 HydrophobicContact CB-CG 4.32Å; C187-M229 WeakPolarHBondContact SG-CG 3.25Å
188T89.3Confident86.2Confident45 Ų4574.7 Ų74.728%0.27639%0.394SS..BIsolated β-bridgetrans-126.2159.9-175.873.90000113.1A186 K192 T193 G199 L200A186-T188 HydrophobicContact CB-CG2 4.24Å; A186-T188 VanDerWaalsContact O-CG2 3.28Å; A186-T188 WeakPolarHBondContact O-CG2 2.9Å; A186-T188 PolarHBondContact O-N 3.02Å; T188-K192 CarbonylContact C-O 3.52Å; T188-K192 WeakPolarHBondContact CA-O 3.38Å; T188-T193 HydrophobicContact CG2-CG2 3.8Å; T188-G199 CarbonylContact O-C 3.57Å; T188-G199 VanDerWaalsContact O-CA 3.3Å; T188-G199 WeakPolarHBondContact O-CA 3.31Å; T188-L200 PolarHBondContact N-O 3.11Å; T188-L200 PolarHBondContact O-N 2.65Å
189R85.5Confident86.7Confident29 Ų2972.7 Ų72.711%0.10938%0.382CS..BIsolated β-bridgetrans-142117.1170.5-175.6162.2179.7179.19.3110.7N191 K192 Y196 W198 M229 N251R189-N191 VanDerWaalsContact C-N 3.29Å; R189-N191 PolarHBondContact O-N 2.88Å; R189-K192 PolarHBondContact N-O 3.22Å; R189-K192 PolarHBondContact O-N 3.06Å; R189-Y196 HydrophobicContact CB-CD2 3.82Å; R189-Y196 HydrophobicContact CB-CE2 4.28Å; R189-Y196 HydrophobicContact CB-CG 4.1Å; R189-Y196 HydrophobicContact CG-CD1 4.3Å; R189-Y196 HydrophobicContact CG-CD2 4.1Å; R189-Y196 HydrophobicContact CG-CE1 4.49Å; R189-Y196 HydrophobicContact CG-CE2 4.3Å; R189-Y196 HydrophobicContact CG-CG 4.1Å; R189-W198 WeakPolarHBondContact CD-O 3.18Å; R189-W198 PolarHBondContact NH1-O 3.47Å; R189-M229 HydrophobicContact CB-SD 4.24Å; R189-N251 PolarHBondContact NH2-ND2 3.3Å; R189-N251 PolarHBondContact NH2-OD1 3.21Å
190R82.1Confident87.1Confident117 Ų11773.1 Ų73.144%0.44238%0.381SS..THydrogen-bonded Turntrans53.648-172.4-53.6-177.7-174.1-165.34.1110.9K192R190-K192 PolarHBondContact O-N 2.84Å
191N83.6Confident87.3Confident157 Ų15765.9 Ų65.984%0.8435%0.347SS*.THydrogen-bonded Turntrans57.526.1-177.6-58.9-10.4000114.9R189R189-N191 VanDerWaalsContact C-N 3.29Å; R189-N191 PolarHBondContact O-N 2.88Å
192K84.1Confident87.4Confident106 Ų10664.7 Ų64.746%0.46135%0.348SS..BIsolated β-bridgetrans-124.2140.6176.6-62.2-175.2-177-166.70110.8T188 R189 R190 Y196 M229T188-K192 CarbonylContact C-O 3.52Å; T188-K192 WeakPolarHBondContact CA-O 3.38Å; R189-K192 PolarHBondContact N-O 3.22Å; R189-K192 PolarHBondContact O-N 3.06Å; R190-K192 PolarHBondContact O-N 2.84Å; K192-Y196 HydrophobicContact CB-CE2 4.41Å; K192-M229 VanDerWaalsContact O-CE 3.29Å; K192-M229 WeakPolarHBondContact O-CE 2.95Å
193T85.9Confident87.4Confident87 Ų8765 Ų6553%0.53434%0.341SS..SBendtrans-97.82.5175.452.20000113T188 M229T188-T193 HydrophobicContact CG2-CG2 3.8Å; T193-M229 VanDerWaalsContact CA-CE 3.43Å; T193-M229 WeakPolarHBondContact O-CE 3.11Å
194C83.6Confident87.1Confident25 Ų2560.2 Ų60.217%0.16932%0.324CS..SBendtrans-130.3163.4-17556.70000111.3Y196 R232 C234C194-Y196 VanDerWaalsContact C-N 3.28Å; C194-Y196 VanDerWaalsContact O-CD2 3.25Å; C194-Y196 WeakPolarHBondContact O-CD2 3.41Å; C194-Y196 PolarHBondContact O-N 2.82Å; C194-R232 HydrophobicContact CB-CB 4.39Å; C194-R232 WeakPolarHBondContact CB-O 3.43Å; C194-C234 HydrophobicContact CB-CB 4.1Å; C194-C234 WeakPolarHBondContact CB-SG 3.25Å; C194-C234 PolarHBondContact O-SG 3.13Å; C194-C234 VanDerWaalsContact O-SG 3.33Å; C194-C234 WeakPolarHBondContact SG-CA 3.39Å; C194-C234 WeakPolarHBondContact SG-CB 3.31Å; C194-C234 CovalentContact SG-SG 2.04Å; C194-C234 PolarHBondContact SG-SG 2.94Å
195G82.4Confident86.8Confident46 Ų4660.2 Ų60.247%0.47432%0.324SS..SBendtrans78.8-1.1173.500000115.9R232G195-R232 PolarHBondContact N-O 2.03Å
196Y84.3Confident86.4Confident48 Ų4864.3 Ų64.319%0.18833%0.333CS..  trans-131.3148.7179.1-56.3-81000110.9R189 K192 C194 M229R189-Y196 HydrophobicContact CB-CD2 3.82Å; R189-Y196 HydrophobicContact CB-CE2 4.28Å; R189-Y196 HydrophobicContact CB-CG 4.1Å; R189-Y196 HydrophobicContact CG-CD1 4.3Å; R189-Y196 HydrophobicContact CG-CD2 4.1Å; R189-Y196 HydrophobicContact CG-CE1 4.49Å; R189-Y196 HydrophobicContact CG-CE2 4.3Å; R189-Y196 HydrophobicContact CG-CG 4.1Å; K192-Y196 HydrophobicContact CB-CE2 4.41Å; C194-Y196 VanDerWaalsContact C-N 3.28Å; C194-Y196 VanDerWaalsContact O-CD2 3.25Å; C194-Y196 WeakPolarHBondContact O-CD2 3.41Å; C194-Y196 PolarHBondContact O-N 2.82Å; Y196-M229 VanDerWaalsContact O-CB 3.29Å; Y196-M229 WeakPolarHBondContact O-CB 3.43Å
197K85.4Confident85.9Confident119 Ų11963.7 Ų63.752%0.51732%0.32SS..SBendtrans-83.3-24.6176.5-173.4172.3-179.1172.50113.4M229 M231K197-M229 PolarHBondContact O-N 2.85Å; K197-M231 HydrophobicContact CB-SD 3.75Å; K197-M231 HydrophobicContact CG-SD 4.39Å
198W86.7Confident85.2Confident73 Ų7366.3 Ų66.328%0.27734%0.335SS..EExtended strand (participates in β ladder)trans-137137.9-175.3-61.9101.4000109.4R189 M226 C227 K228 M229 L255R189-W198 WeakPolarHBondContact CD-O 3.18Å; R189-W198 PolarHBondContact NH1-O 3.47Å; W198-M226 HydrophobicContact CD2-CE 4.47Å; W198-M226 HydrophobicContact CD2-SD 4.46Å; W198-M226 HydrophobicContact CE3-CE 3.9Å; W198-M226 HydrophobicContact CE3-CG 4.08Å; W198-M226 HydrophobicContact CE3-SD 4.17Å; W198-M226 HydrophobicContact CZ3-CE 3.96Å; W198-C227 WeakPolarHBondContact CA-O 3.43Å; W198-K228 HydrophobicContact CE3-CB 4.09Å; W198-K228 HydrophobicContact CE3-CG 4.49Å; W198-K228 HydrophobicContact CH2-CB 4.3Å; W198-K228 HydrophobicContact CH2-CD 4.47Å; W198-K228 HydrophobicContact CH2-CG 4.35Å; W198-K228 HydrophobicContact CZ3-CB 3.76Å; W198-K228 HydrophobicContact CZ3-CG 4.23Å; W198-M229 VanDerWaalsContact C-SD 3.52Å; W198-L255 HydrophobicContact CB-CD2 4.4Å
199G89.9Confident84.1Confident0 Ų069.7 Ų69.70%035%0.346CS..EExtended strand (participates in β ladder)trans-135.4-171.117700000111.6T188 C227 L255T188-G199 CarbonylContact O-C 3.57Å; T188-G199 VanDerWaalsContact O-CA 3.3Å; T188-G199 WeakPolarHBondContact O-CA 3.31Å; G199-C227 PolarHBondContact N-O 3.49Å; G199-C227 PolarHBondContact O-N 2.87Å; G199-C227 PolarHBondContact O-SG 3.49Å; G199-C227 VanDerWaalsContact O-SG 3.39Å; G199-L255 VanDerWaalsContact O-CD2 3.28Å; G199-L255 WeakPolarHBondContact O-CD2 3.49Å
200L90.8Very high83Confident23 Ų2376.6 Ų76.612%0.1238%0.377CS..EExtended strand (participates in β ladder)trans-118.9138.3170.3-68.3168.8000108.5T188 R225 L255 R258 A259T188-L200 PolarHBondContact N-O 3.11Å; T188-L200 PolarHBondContact O-N 2.65Å; L200-R225 WeakPolarHBondContact CA-O 3.43Å; L200-L255 HydrophobicContact CD1-CG 4.39Å; L200-L255 HydrophobicContact CD2-CD2 4.23Å; L200-L255 HydrophobicContact CD2-CG 4.45Å; L200-L255 HydrophobicContact CG-CD2 3.98Å; L200-L255 HydrophobicContact CG-CG 4.15Å; L200-R258 HydrophobicContact CD1-CB 4.1Å; L200-A259 HydrophobicContact CD2-CB 3.81Å
201E90.6Very high82Confident28 Ų2871.9 Ų71.913%0.13136%0.361CS..EExtended strand (participates in β ladder)trans-110.8142165.259.4-168.6143.100107.3W184 G185 S224 R225 C227W184-E201 HydrophobicContact CB-CG 4.48Å; W184-E201 WeakPolarHBondContact CB-OE2 3.24Å; W184-E201 HydrophobicContact CD2-CG 4.18Å; W184-E201 HydrophobicContact CE3-CB 4.25Å; W184-E201 HydrophobicContact CE3-CG 3.67Å; W184-E201 HydrophobicContact CZ3-CG 4.27Å; G185-E201 VanDerWaalsContact O-CB 3.31Å; G185-E201 WeakPolarHBondContact O-CB 3.21Å; E201-S224 CarbonylContact O-C 3.51Å; E201-S224 WeakPolarHBondContact O-CA 3.43Å; E201-S224 WeakPolarHBondContact O-CB 3.37Å; E201-R225 VanDerWaalsContact CD-NH2 3.35Å; E201-R225 HydrophobicContact CG-CG 3.49Å; E201-R225 VanDerWaalsContact CG-CG 3.49Å; E201-R225 PolarHBondContact N-O 3.3Å; E201-R225 PolarHBondContact O-N 3.08Å; E201-R225 WeakPolarHBondContact OE1-CG 3.27Å; E201-R225 IonicContact OE1-CZ 2.65Å; E201-R225 VanDerWaalsContact OE1-CZ 3.3Å; E201-R225 IonicContact OE1-NE 2.81Å; E201-R225 PolarHBondContact OE1-NE 2.94Å; E201-R225 IonicContact OE1-NH2 3.13Å; E201-R225 PolarHBondContact OE1-NH2 2.04Å; E201-R225 VanDerWaalsContact OE1-NH2 3.11Å; E201-R225 IonicContact OE2-CZ 3.86Å; E201-R225 IonicContact OE2-NE 3.67Å; E201-R225 IonicContact OE2-NH2 3.97Å; E201-R225 PolarHBondContact OE2-NH2 2.92Å; E201-R225 VanDerWaalsContact OE2-NH2 3.09Å; E201-C227 HydrophobicContact CB-CB 4.41Å; E201-C227 HydrophobicContact CG-CB 4Å; E201-C227 PolarHBondContact N-SG 2.82Å; E201-C227 VanDerWaalsContact N-SG 3.42Å; E201-C227 VanDerWaalsContact OE1-CB 3.31Å; E201-C227 WeakPolarHBondContact OE1-CB 3.06Å
202T89.9Confident80.8Confident48 Ų4871 Ų7129%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-126.3139.3-176.1-57.20000108.1G185 E223G185-T202 PolarHBondContact N-O 2.82Å; T202-E223 CarbonylContact C-O 3.58Å; T202-E223 VanDerWaalsContact CA-O 3.25Å; T202-E223 WeakPolarHBondContact CA-O 3.4Å; T202-E223 WeakPolarHBondContact CG2-O 3.04Å
203R88.7Confident79.4Confident56 Ų5672.9 Ų72.921%0.21137%0.372CS..EExtended strand (participates in β ladder)trans-124.4154.5170.865.8177.7-176.8175.7-2.4109.8W181 W184 A222 E223W181-R203 HydrophobicContact CD2-CG 4.26Å; W181-R203 HydrophobicContact CE3-CB 4.42Å; W181-R203 HydrophobicContact CE3-CG 3.68Å; W181-R203 HydrophobicContact CZ3-CG 4.13Å; W184-R203 HydrophobicContact CD2-CB 4.16Å; W184-R203 HydrophobicContact CD2-CG 4.15Å; W184-R203 HydrophobicContact CE3-CB 3.85Å; W184-R203 HydrophobicContact CE3-CG 3.81Å; W184-R203 HydrophobicContact CH2-CG 3.77Å; W184-R203 VanDerWaalsContact CZ2-CD 3.46Å; W184-R203 HydrophobicContact CZ2-CG 4.08Å; W184-R203 VanDerWaalsContact CZ2-NE 3.31Å; W184-R203 HydrophobicContact CZ3-CB 4.14Å; W184-R203 HydrophobicContact CZ3-CG 3.62Å; R203-A222 WeakPolarHBondContact O-CA 3.4Å; R203-E223 HydrophobicContact CG-CB 4.06Å; R203-E223 IonicContact CZ-OE2 2.84Å; R203-E223 PolarHBondContact N-O 3.09Å; R203-E223 IonicContact NE-OE2 2.88Å; R203-E223 PolarHBondContact NE-OE2 3.17Å; R203-E223 IonicContact NH2-OE1 2.94Å; R203-E223 IonicContact NH2-OE2 2.65Å; R203-E223 PolarHBondContact NH2-OE2 3.4Å; R203-E223 PolarHBondContact O-N 3.15Å
204T86.8Confident78Confident68 Ų6877 Ų7742%0.41739%0.391SS..EExtended strand (participates in β ladder)trans-131.8153.1-17952.80000110.9S182 I221 A222S182-T204 VanDerWaalsContact CB-O 3.26Å; S182-T204 WeakPolarHBondContact CB-O 3.42Å; S182-T204 PolarHBondContact N-O 3.08Å; S182-T204 PolarHBondContact OG-N 2.96Å; S182-T204 VanDerWaalsContact OG-N 3.08Å; S182-T204 PolarHBondContact OG-O 2.04Å; T204-I221 CarbonylContact C-O 3.48Å; T204-I221 VanDerWaalsContact CA-O 3.22Å; T204-I221 WeakPolarHBondContact CA-O 3.21Å; T204-A222 HydrophobicContact CG2-CB 4.03Å
205R83.9Confident76.6Confident56 Ų5681.5 Ų81.521%0.21142%0.417CS..  trans-129.3161.6169.361.4-177.2175.1177.11109.2V178 Q180 W181 T220 I221V178-R205 VanDerWaalsContact CG2-NH1 3.28Å; Q180-R205 WeakPolarHBondContact O-CB 3.02Å; W181-R205 HydrophobicContact CD2-CB 4.11Å; W181-R205 HydrophobicContact CD2-CG 4.1Å; W181-R205 HydrophobicContact CE3-CB 3.8Å; W181-R205 HydrophobicContact CE3-CG 3.81Å; W181-R205 HydrophobicContact CH2-CG 3.9Å; W181-R205 HydrophobicContact CZ2-CG 4.18Å; W181-R205 VanDerWaalsContact CZ2-NE 3.29Å; W181-R205 HydrophobicContact CZ3-CB 4.16Å; W181-R205 HydrophobicContact CZ3-CG 3.71Å; R205-T220 PolarHBondContact NE-O 2.84Å; R205-T220 PolarHBondContact NH2-O 3.12Å; R205-I221 HydrophobicContact CG-CB 4.4Å; R205-I221 PolarHBondContact N-O 3.22Å; R205-I221 WeakPolarHBondContact O-CB 3.34Å
206H79.9Confident75.4Confident120 Ų12081.4 Ų81.456%0.55641%0.405SS*.  trans-105158.8176.359-85.1000111G179G179-H206 PolarHBondContact N-O 3.38Å
207I79.2Confident74.2Confident58 Ų5884.7 Ų84.730%0.29743%0.433SS..EExtended strand (participates in β ladder)trans-81.9121.6170.1-62.9156.8000107V178 K209 K210 C218 I221V178-I207 HydrophobicContact CG1-CG1 4.24Å; I207-K209 VanDerWaalsContact CG2-O 3.26Å; I207-K209 WeakPolarHBondContact CG2-O 3.37Å; I207-K210 HydrophobicContact CG2-CG 4.04Å; I207-C218 HydrophobicContact CD1-CB 3.69Å; I207-C218 VanDerWaalsContact CD1-SG 3.58Å; I207-C218 HydrophobicContact CG1-CB 4.04Å; I207-I221 HydrophobicContact CD1-CG2 4.24Å; I207-I221 HydrophobicContact CG1-CG2 3.89Å
208V76.1Confident73.2Confident83 Ų8380.7 Ų80.750%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-85-44.8-179.6176.60000110.1E177E177-V208 HydrophobicContact CB-CB 4.45Å; E177-V208 PolarHBondContact O-N 2.9Å
209K66.6Low72.5Confident117 Ų11779 Ų7951%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-125.7126.9171.8-62.4-172.8-165.9142.70110.6E177 I207E177-K209 HydrophobicContact CB-CB 4.07Å; E177-K209 HydrophobicContact CB-CG 4.37Å; E177-K209 HydrophobicContact CG-CB 4.45Å; E177-K209 HydrophobicContact CG-CD 4.47Å; E177-K209 PolarHBondContact N-O 2.87Å; E177-K209 PolarHBondContact O-N 2.95Å; E177-K209 VanDerWaalsContact O-N 3.15Å; E177-K209 IonicContact OE1-NZ 2.8Å; E177-K209 PolarHBondContact OE1-NZ 3.35Å; E177-K209 WeakPolarHBondContact OE2-CD 3.49Å; E177-K209 WeakPolarHBondContact OE2-CE 3.4Å; E177-K209 WeakPolarHBondContact OE2-CG 3.26Å; E177-K209 IonicContact OE2-NZ 2.87Å; E177-K209 PolarHBondContact OE2-NZ 2.76Å; I207-K209 VanDerWaalsContact CG2-O 3.26Å; I207-K209 WeakPolarHBondContact CG2-O 3.37Å
210K61.5Low71.7Confident174 Ų17481.3 Ų81.376%0.75743%0.432SS*.  trans-81.7149.3172.4-70.2-176.9-179.2-179.40109.9I207I207-K210 HydrophobicContact CG2-CG 4.04Å
211P62.4Low71.3Confident17 Ų1783.3 Ų83.311%0.1144%0.442CS..  trans-63.1148.517417.4-21.3000110.1G175 C176 K213 I216G175-P211 WeakPolarHBondContact O-CA 3.49Å; G175-P211 VanDerWaalsContact O-CB 3.3Å; G175-P211 WeakPolarHBondContact O-CB 3.34Å; C176-P211 VanDerWaalsContact SG-CD 3.53Å; P211-K213 PolarHBondContact O-N 2.84Å; P211-K213 VanDerWaalsContact O-N 3.14Å; P211-I216 HydrophobicContact CB-CB 3.75Å; P211-I216 HydrophobicContact CB-CD1 3.66Å; P211-I216 HydrophobicContact CB-CG1 4.24Å; P211-I216 HydrophobicContact CB-CG2 4.11Å; P211-I216 HydrophobicContact CG-CB 3.64Å; P211-I216 HydrophobicContact CG-CG2 3.97Å
212P57Low71Confident138 Ų13882.3 Ų82.390%0.89644%0.439SS*.SBendtrans-62.4-17.6176.3-21.231.3000114.1
213K54.9Low71Confident147 Ų14783.5 Ų83.564%0.63944%0.441SS*.SBendtrans-125.5133.4178.1-68.1-177.7179.6176.20109.9P211 T215 I216P211-K213 PolarHBondContact O-N 2.84Å; P211-K213 VanDerWaalsContact O-N 3.14Å; K213-T215 PolarHBondContact O-N 3.28Å; K213-I216 PolarHBondContact O-N 3Å
214D56.6Low70.9Confident174 Ų17481.4 Ų81.493%0.9344%0.435SS*.THydrogen-bonded Turntrans-65.91178.7-68.7-43.1000114.3I216D214-I216 VanDerWaalsContact C-N 3.28Å; D214-I216 PolarHBondContact O-N 3.45Å
215T55.2Low71Confident118 Ų11883.4 Ų83.472%0.72444%0.435SS*.THydrogen-bonded Turntrans-80.4-3.9177.248.30000113.8K213 P217K213-T215 PolarHBondContact O-N 3.28Å; T215-P217 WeakPolarHBondContact O-CD 3.39Å
216I56.5Low71.3Confident44 Ų4483.3 Ų83.323%0.22644%0.437CS..  trans-109.1106.9-173.6-61.4165.3000110.1A164 P211 K213 D214 C218A164-I216 HydrophobicContact CB-CD1 3.85Å; A164-I216 HydrophobicContact CB-CG1 4.02Å; A164-I216 HydrophobicContact CB-CG2 3.78Å; P211-I216 HydrophobicContact CB-CB 3.75Å; P211-I216 HydrophobicContact CB-CD1 3.66Å; P211-I216 HydrophobicContact CB-CG1 4.24Å; P211-I216 HydrophobicContact CB-CG2 4.11Å; P211-I216 HydrophobicContact CG-CB 3.64Å; P211-I216 HydrophobicContact CG-CG2 3.97Å; K213-I216 PolarHBondContact O-N 3Å; D214-I216 VanDerWaalsContact C-N 3.28Å; D214-I216 PolarHBondContact O-N 3.45Å; I216-C218 PolarHBondContact O-N 2.81Å
217P59.8Low71.8Confident118 Ų11878 Ų7877%0.76641%0.414SS*.PPolyproline II helixtrans-73.4126.1172.727.9-30.6000110.4T215T215-P217 WeakPolarHBondContact O-CD 3.39Å
218C64Low72.3Confident34 Ų3482.4 Ų82.423%0.2343%0.431CS..PPolyproline II helixtrans-68.1154.5176.6-660000112.7C176 I207 I216C176-C218 HydrophobicContact CB-CB 3.63Å; C176-C218 WeakPolarHBondContact CB-SG 3.4Å; C176-C218 WeakPolarHBondContact SG-CA 3.42Å; C176-C218 WeakPolarHBondContact SG-CB 3.25Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.42Å; I207-C218 HydrophobicContact CD1-CB 3.69Å; I207-C218 VanDerWaalsContact CD1-SG 3.58Å; I207-C218 HydrophobicContact CG1-CB 4.04Å; I216-C218 PolarHBondContact O-N 2.81Å
219P71.8Confident72.8Confident37 Ų3779 Ų7924%0.2441%0.41CS..PPolyproline II helixtrans-61.6160174.728-34.7000110.9V178 I221V178-P219 HydrophobicContact CG1-CG 3.92Å; V178-P219 HydrophobicContact CG2-CG 4.42Å; P219-I221 PolarHBondContact O-N 2.03Å
220T73.2Confident73.6Confident50 Ų5076.3 Ų76.331%0.30741%0.409SS..PPolyproline II helixtrans-51.1129.1-176.3-47.40000112.6R205 A222 H263R205-T220 PolarHBondContact NE-O 2.84Å; R205-T220 PolarHBondContact NH2-O 3.12Å; T220-A222 WeakPolarHBondContact CG2-O 3.49Å; T220-H263 PolarHBondContact OG1-CE1 2.83Å; T220-H263 PolarHBondContact OG1-ND1 2.03Å
221I82.6Confident74.3Confident65 Ų6574.5 Ų74.533%0.33341%0.405SS..SBendtrans-98.2-0.917960165.5000113.9W181 T204 R205 I207 P219W181-I221 WeakPolarHBondContact CZ3-O 3.28Å; T204-I221 CarbonylContact C-O 3.48Å; T204-I221 VanDerWaalsContact CA-O 3.22Å; T204-I221 WeakPolarHBondContact CA-O 3.21Å; R205-I221 HydrophobicContact CG-CB 4.4Å; R205-I221 PolarHBondContact N-O 3.22Å; R205-I221 WeakPolarHBondContact O-CB 3.34Å; I207-I221 HydrophobicContact CD1-CG2 4.24Å; I207-I221 HydrophobicContact CG1-CG2 3.89Å; P219-I221 PolarHBondContact O-N 2.03Å
222A85.1Confident75.1Confident7 Ų782.3 Ų82.36%0.05843%0.432CS..EExtended strand (participates in β ladder)trans-139.4134.5-179.400000112.1R203 T204 T220 H266R203-A222 WeakPolarHBondContact O-CA 3.4Å; T204-A222 HydrophobicContact CG2-CB 4.03Å; T220-A222 WeakPolarHBondContact CG2-O 3.49Å; A222-H266 HydrophobicContact CB-CB 4.21Å; A222-H266 WeakPolarHBondContact CB-CD2 3.11Å; A222-H266 VanDerWaalsContact CB-CG 3.48Å; A222-H266 VanDerWaalsContact CB-NE2 3.26Å; A222-H266 WeakPolarHBondContact CB-NE2 3.43Å
223E88.5Confident76.2Confident72 Ų7284.7 Ų84.734%0.33643%0.431SS..EExtended strand (participates in β ladder)trans-131.6140.7-179.4-173-175174.900109.7W181 W184 T202 R203W181-E223 HydrophobicContact CH2-CB 3.85Å; W181-E223 HydrophobicContact CZ2-CB 4.37Å; W181-E223 HydrophobicContact CZ3-CB 4.08Å; W184-E223 HydrophobicContact CH2-CB 4.43Å; W184-E223 HydrophobicContact CH2-CG 4.03Å; T202-E223 CarbonylContact C-O 3.58Å; T202-E223 VanDerWaalsContact CA-O 3.25Å; T202-E223 WeakPolarHBondContact CA-O 3.4Å; T202-E223 WeakPolarHBondContact CG2-O 3.04Å; R203-E223 HydrophobicContact CG-CB 4.06Å; R203-E223 IonicContact CZ-OE2 2.84Å; R203-E223 PolarHBondContact N-O 3.09Å; R203-E223 IonicContact NE-OE2 2.88Å; R203-E223 PolarHBondContact NE-OE2 3.17Å; R203-E223 IonicContact NH2-OE1 2.94Å; R203-E223 IonicContact NH2-OE2 2.65Å; R203-E223 PolarHBondContact NH2-OE2 3.4Å; R203-E223 PolarHBondContact O-N 3.15Å
224S87.8Confident77.3Confident12 Ų1280 Ų808%0.08442%0.416CS..EExtended strand (participates in β ladder)trans-127146.3171.362.80000112.9E201 A259 Q262E201-S224 CarbonylContact O-C 3.51Å; E201-S224 WeakPolarHBondContact O-CA 3.43Å; E201-S224 WeakPolarHBondContact O-CB 3.37Å; S224-A259 WeakPolarHBondContact OG-CA 3.35Å; S224-Q262 PolarHBondContact OG-OE1 3.47Å
225R89.4Confident78.2Confident110 Ų11083.8 Ų83.842%0.41542%0.417SS..EExtended strand (participates in β ladder)trans-133157.7174.671.2179.7-172.7-168.4-4.6111.4W184 L200 E201W184-R225 HydrophobicContact CD2-CG 4.45Å; W184-R225 VanDerWaalsContact CE2-CZ 3.43Å; W184-R225 HydrophobicContact CE3-CG 4.07Å; W184-R225 HydrophobicContact CH2-CB 4.07Å; W184-R225 HydrophobicContact CH2-CG 3.68Å; W184-R225 HydrophobicContact CZ2-CG 4.1Å; W184-R225 HydrophobicContact CZ3-CB 4.25Å; W184-R225 HydrophobicContact CZ3-CG 3.67Å; L200-R225 WeakPolarHBondContact CA-O 3.43Å; E201-R225 VanDerWaalsContact CD-NH2 3.35Å; E201-R225 HydrophobicContact CG-CG 3.49Å; E201-R225 VanDerWaalsContact CG-CG 3.49Å; E201-R225 PolarHBondContact N-O 3.3Å; E201-R225 PolarHBondContact O-N 3.08Å; E201-R225 WeakPolarHBondContact OE1-CG 3.27Å; E201-R225 IonicContact OE1-CZ 2.65Å; E201-R225 VanDerWaalsContact OE1-CZ 3.3Å; E201-R225 IonicContact OE1-NE 2.81Å; E201-R225 PolarHBondContact OE1-NE 2.94Å; E201-R225 IonicContact OE1-NH2 3.13Å; E201-R225 PolarHBondContact OE1-NH2 2.04Å; E201-R225 VanDerWaalsContact OE1-NH2 3.11Å; E201-R225 IonicContact OE2-CZ 3.86Å; E201-R225 IonicContact OE2-NE 3.67Å; E201-R225 IonicContact OE2-NH2 3.97Å; E201-R225 PolarHBondContact OE2-NH2 2.92Å; E201-R225 VanDerWaalsContact OE2-NH2 3.09Å
226M89.1Confident79.1Confident54 Ų5489.6 Ų89.627%0.26643%0.426SS..EExtended strand (participates in β ladder)trans-78.7130.4177.5-170.317969.700110.3W198 K252 L255 R256W198-M226 HydrophobicContact CD2-CE 4.47Å; W198-M226 HydrophobicContact CD2-SD 4.46Å; W198-M226 HydrophobicContact CE3-CE 3.9Å; W198-M226 HydrophobicContact CE3-CG 4.08Å; W198-M226 HydrophobicContact CE3-SD 4.17Å; W198-M226 HydrophobicContact CZ3-CE 3.96Å; M226-K252 HydrophobicContact SD-CG 4.31Å; M226-L255 HydrophobicContact CG-CD2 4.17Å; M226-R256 HydrophobicContact SD-CG 4.4Å
227C90.1Very high79.1Confident9 Ų990.7 Ų90.76%0.06145%0.448CS..EExtended strand (participates in β ladder)trans-125.1150.5-177.353.20000110.9C187 W198 G199 E201C187-C227 WeakPolarHBondContact CA-SG 3.37Å; C187-C227 HydrophobicContact CB-CB 3.74Å; C187-C227 WeakPolarHBondContact CB-SG 3.43Å; C187-C227 VanDerWaalsContact SG-C 3.58Å; C187-C227 WeakPolarHBondContact SG-CB 3.21Å; C187-C227 CovalentContact SG-SG 1.99Å; C187-C227 PolarHBondContact SG-SG 2.89Å; W198-C227 WeakPolarHBondContact CA-O 3.43Å; G199-C227 PolarHBondContact N-O 3.49Å; G199-C227 PolarHBondContact O-N 2.87Å; G199-C227 PolarHBondContact O-SG 3.49Å; G199-C227 VanDerWaalsContact O-SG 3.39Å; E201-C227 HydrophobicContact CB-CB 4.41Å; E201-C227 HydrophobicContact CG-CB 4Å; E201-C227 PolarHBondContact N-SG 2.82Å; E201-C227 VanDerWaalsContact N-SG 3.42Å; E201-C227 VanDerWaalsContact OE1-CB 3.31Å; E201-C227 WeakPolarHBondContact OE1-CB 3.06Å
228K89.8Confident79Confident151 Ų15192.9 Ų92.966%0.65745%0.453SS*.EExtended strand (participates in β ladder)trans-90.1125.3176.5-169.2-179177-171.60108.5W198W198-K228 HydrophobicContact CE3-CB 4.09Å; W198-K228 HydrophobicContact CE3-CG 4.49Å; W198-K228 HydrophobicContact CH2-CB 4.3Å; W198-K228 HydrophobicContact CH2-CD 4.47Å; W198-K228 HydrophobicContact CH2-CG 4.35Å; W198-K228 HydrophobicContact CZ3-CB 3.76Å; W198-K228 HydrophobicContact CZ3-CG 4.23Å
229M87.1Confident78.4Confident12 Ų1296.1 Ų96.16%0.05948%0.476CS..PPolyproline II helixtrans-91.5148.6-177.6-63.1171.979.900110.5C187 R189 K192 T193 Y196 K197 W198 M231C187-M229 HydrophobicContact CB-CG 4.32Å; C187-M229 WeakPolarHBondContact SG-CG 3.25Å; R189-M229 HydrophobicContact CB-SD 4.24Å; K192-M229 VanDerWaalsContact O-CE 3.29Å; K192-M229 WeakPolarHBondContact O-CE 2.95Å; T193-M229 VanDerWaalsContact CA-CE 3.43Å; T193-M229 WeakPolarHBondContact O-CE 3.11Å; Y196-M229 VanDerWaalsContact O-CB 3.29Å; Y196-M229 WeakPolarHBondContact O-CB 3.43Å; K197-M229 PolarHBondContact O-N 2.85Å; W198-M229 VanDerWaalsContact C-SD 3.52Å; M229-M231 PolarHBondContact O-N 3.1Å
230A82.6Confident77.8Confident59 Ų5997.9 Ų97.949%0.48850%0.501SS..PPolyproline II helixtrans-65.9121165.600000108.8R232A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.96Å
231M76.1Confident76.8Confident136 Ų136104.8 Ų104.867%0.6753%0.527SS*.  trans-69.497.2179.3-76.4-71.9-68.200109.3K197 M229K197-M231 HydrophobicContact CB-SD 3.75Å; K197-M231 HydrophobicContact CG-SD 4.39Å; M229-M231 PolarHBondContact O-N 3.1Å
232R80.8Confident75.3Confident181 Ų181111.4 Ų111.468%0.68356%0.556SS**  trans-123139.9175-60.9-177.3-178.1-175.60.8109.2C194 G195 A230C194-R232 HydrophobicContact CB-CB 4.39Å; C194-R232 WeakPolarHBondContact CB-O 3.43Å; G195-R232 PolarHBondContact N-O 2.03Å; A230-R232 HydrophobicContact CB-CG 4.42Å; A230-R232 PolarHBondContact O-N 2.96Å
233H79.1Confident73.9Confident189 Ų189118.6 Ų118.688%0.87558%0.582SS**  trans-71.2131.3170.5-69.3-78.2000109R235H233-R235 PolarHBondContact O-N 2.9Å
234C78.9Confident72.2Confident48 Ų48120.2 Ų120.232%0.32460%0.601SS.*  trans-66.7126.9174.4-63.50000109.3C194 R236C194-C234 HydrophobicContact CB-CB 4.1Å; C194-C234 WeakPolarHBondContact CB-SG 3.25Å; C194-C234 PolarHBondContact O-SG 3.13Å; C194-C234 VanDerWaalsContact O-SG 3.33Å; C194-C234 WeakPolarHBondContact SG-CA 3.39Å; C194-C234 WeakPolarHBondContact SG-CB 3.31Å; C194-C234 CovalentContact SG-SG 2.04Å; C194-C234 PolarHBondContact SG-SG 2.94Å; C234-R236 PolarHBondContact O-N 3Å; C234-R236 VanDerWaalsContact O-N 3.13Å
235R75.5Confident70.7Confident254 Ų254129.9 Ų129.996%0.95864%0.642SS**  trans-62.1114.3172.1-152.3174179.5173.4-0.8107.1H233 G237H233-R235 PolarHBondContact O-N 2.9Å; R235-G237 PolarHBondContact O-N 3.41Å
236R72.6Confident69.3Low239 Ų239127.9 Ų127.990%0.90264%0.637SS**  trans-62.3119.7-168.8-89.4-179.4167.1-173.3-2.8111.3C234C234-R236 PolarHBondContact O-N 3Å; C234-R236 VanDerWaalsContact O-N 3.13Å
237G57.3Low68.2Low67 Ų67129.4 Ų129.469%0.69165%0.651SS**  trans-95.1136.2139.100000107.8R235 S239R235-G237 PolarHBondContact O-N 3.41Å; G237-S239 PolarHBondContact O-N 2.87Å
238N57.2Low67Low164 Ų164138.3 Ų138.388%0.87769%0.689SS**SBendtrans-57.9114.9-166.4-145.12.6000113
239S52.3Low65.9Low103 Ų103139.8 Ų139.872%0.7270%0.695SS**  trans-161.790.2156.570.30000109.5G237 K241G237-S239 PolarHBondContact O-N 2.87Å; S239-K241 PolarHBondContact O-N 2.86Å
240G59Low65.1Low74 Ų74145.1 Ų145.176%0.76372%0.718SS**  trans-67114163.900000109.7
241K52Low64.8Low194 Ų194144 Ų14484%0.84370%0.703SS**  trans-139.2119.4148.8-83.6-171.9177.8176.80106.9S239 R243S239-K241 PolarHBondContact O-N 2.86Å; K241-R243 VanDerWaalsContact C-N 3.33Å; K241-R243 PolarHBondContact O-N 3.45Å
242H51.8Low64.9Low205 Ų205141.1 Ų141.195%0.94969%0.688SS**  trans-54.599.4164.1-106-103.2000107.5
243R54.9Low65Low157 Ų157139 Ų13959%0.59269%0.685SS**  trans-77.3124.3168.3-86.4-174.8166.8160.74.4107.1K241 K245K241-R243 VanDerWaalsContact C-N 3.33Å; K241-R243 PolarHBondContact O-N 3.45Å; R243-K245 PolarHBondContact O-N 2.79Å
244S53.7Low65.1Low107 Ų107135.4 Ų135.475%0.74866%0.664SS**  trans-45.5127.316650.40000108.9E246S244-E246 PolarHBondContact O-N 2.85Å
245K54.7Low65.2Low214 Ų214133.6 Ų133.693%0.9365%0.651SS**  trans-68.683.3177.2-75.7179.1180168.80107.9R243R243-K245 PolarHBondContact O-N 2.79Å
246E61.3Low65.5Low68 Ų68128 Ų12832%0.31863%0.63SS.*  trans-55.4139.9168.3-87.9-167.114100109.1S244 K248 R254S244-E246 PolarHBondContact O-N 2.85Å; E246-K248 PolarHBondContact O-N 3.36Å; E246-R254 IonicContact OE1-NH1 3.31Å; E246-R254 PolarHBondContact OE1-NH1 2.89Å; E246-R254 IonicContact OE2-NH1 3.57Å
247P66.3Low66Low86 Ų86122.6 Ų122.656%0.55861%0.613SS**  trans-54.4127.5179.9-2431.1000111.4K249 K250 N251P247-K249 PolarHBondContact O-N 3.45Å; P247-K250 HydrophobicContact CB-CB 4.35Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-N251 PolarHBondContact O-N 3.13Å
248K64.8Low67.1Low196 Ų196125.7 Ų125.785%0.85260%0.604SS**Hα-helixtrans-51.6-33.6-178.6-69.8177.6-179170.30112.7E246 K252E246-K248 PolarHBondContact O-N 3.36Å; K248-K252 PolarHBondContact O-N 3.14Å; K248-K252 VanDerWaalsContact O-N 3.16Å
249K65.6Low68.1Low182 Ų182119.1 Ų119.179%0.79157%0.572SS**Hα-helixtrans-66.5-47.3178.2-161.7175.9-179.1-177.80112.1P247 N251 K252 Q253P247-K249 PolarHBondContact O-N 3.45Å; K249-N251 VanDerWaalsContact C-N 3.3Å; K249-N251 PolarHBondContact O-N 3.41Å; K249-K252 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-N 2.9Å
250K71.7Confident69.3Low124 Ų124121.3 Ų121.354%0.53957%0.571SS.*Hα-helixtrans-61.4-38.6177.6-165.3175.3-175.3178.30111.6P247 Q253 R254P247-K250 HydrophobicContact CB-CB 4.35Å; P247-K250 PolarHBondContact O-N 2.89Å; K250-Q253 PolarHBondContact O-N 2.82Å; K250-R254 WeakPolarHBondContact O-CG 3.34Å; K250-R254 PolarHBondContact O-N 2.99Å
251N75.8Confident69.7Low35 Ų35121 Ų12119%0.18755%0.552CS.*Hα-helixtrans-74.8-31.2-178.3-150.2-6.3000113.1R189 P247 K249 L255R189-N251 PolarHBondContact NH2-ND2 3.3Å; R189-N251 PolarHBondContact NH2-OD1 3.21Å; P247-N251 PolarHBondContact O-N 3.13Å; K249-N251 VanDerWaalsContact C-N 3.3Å; K249-N251 PolarHBondContact O-N 3.41Å; N251-L255 PolarHBondContact O-N 2.7Å
252K77.9Confident70.3Confident77 Ų77113.8 Ų113.834%0.33552%0.521SS..Hα-helixtrans-69.5-40.6170.4-173.1179.5-179.6-176.60111.2M226 K248 K249 L255 R256M226-K252 HydrophobicContact SD-CG 4.31Å; K248-K252 PolarHBondContact O-N 3.14Å; K248-K252 VanDerWaalsContact O-N 3.16Å; K249-K252 PolarHBondContact O-N 3.39Å; K252-L255 WeakPolarHBondContact O-CB 3.38Å; K252-L255 PolarHBondContact O-N 3.23Å; K252-R256 PolarHBondContact O-N 2.84Å
253Q82Confident70.5Confident135 Ų135108.3 Ų108.363%0.63150%0.496SS*.Hα-helixtrans-64.5-41.5177.2-167170.32.300111.9K249 K250 L255 R256 F257K249-Q253 PolarHBondContact O-N 2.9Å; K250-Q253 PolarHBondContact O-N 2.82Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.18Å; Q253-R256 PolarHBondContact O-N 3.2Å; Q253-F257 WeakPolarHBondContact O-CB 3.08Å; Q253-F257 PolarHBondContact O-N 3.16Å
254R82Confident70.4Confident115 Ų115104.3 Ų104.343%0.43449%0.492SS..Hα-helixtrans-59.7-36.6171.1-75.7176.891.6176.19.5113E246 K250 R258E246-R254 IonicContact OE1-NH1 3.31Å; E246-R254 PolarHBondContact OE1-NH1 2.89Å; E246-R254 IonicContact OE2-NH1 3.57Å; K250-R254 WeakPolarHBondContact O-CG 3.34Å; K250-R254 PolarHBondContact O-N 2.99Å; R254-R258 WeakPolarHBondContact O-CB 3.44Å; R254-R258 WeakPolarHBondContact O-CG 2.99Å; R254-R258 PolarHBondContact O-N 3.25Å
255L81.1Confident70.3Confident10 Ų10103.9 Ų103.95%0.05248%0.481CS..Hα-helixtrans-67.3-43.2176.1-119.992.3000111.9W198 G199 L200 M226 N251 K252 Q253 R258 A259W198-L255 HydrophobicContact CB-CD2 4.4Å; G199-L255 VanDerWaalsContact O-CD2 3.28Å; G199-L255 WeakPolarHBondContact O-CD2 3.49Å; L200-L255 HydrophobicContact CD1-CG 4.39Å; L200-L255 HydrophobicContact CD2-CD2 4.23Å; L200-L255 HydrophobicContact CD2-CG 4.45Å; L200-L255 HydrophobicContact CG-CD2 3.98Å; L200-L255 HydrophobicContact CG-CG 4.15Å; M226-L255 HydrophobicContact CG-CD2 4.17Å; N251-L255 PolarHBondContact O-N 2.7Å; K252-L255 WeakPolarHBondContact O-CB 3.38Å; K252-L255 PolarHBondContact O-N 3.23Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.18Å; L255-R258 PolarHBondContact O-N 2.79Å; L255-A259 PolarHBondContact O-N 2.03Å
256R81.3Confident70.2Confident137 Ų13797.2 Ų97.252%0.51745%0.453SS..Hα-helixtrans-61.4-45.9175.6-74.4-179170.1-175.8-7111.7M226 K252 Q253 R258 A259 Q260M226-R256 HydrophobicContact SD-CG 4.4Å; K252-R256 PolarHBondContact O-N 2.84Å; Q253-R256 PolarHBondContact O-N 3.2Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.27Å; R256-A259 WeakPolarHBondContact O-CB 3.19Å; R256-A259 PolarHBondContact O-N 2.94Å; R256-Q260 WeakPolarHBondContact O-CG 3.22Å; R256-Q260 PolarHBondContact O-N 3.28Å
257F82.6Confident69.5Low124 Ų12498.5 Ų98.554%0.54446%0.462SS..Hα-helixtrans-60.8-40.5176.3-173.5-102.3000111.9Q253 Q260 N261Q253-F257 WeakPolarHBondContact O-CB 3.08Å; Q253-F257 PolarHBondContact O-N 3.16Å; F257-Q260 PolarHBondContact O-N 2.02Å; F257-N261 WeakPolarHBondContact CE1-ND2 3Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.37Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.43Å; F257-N261 WeakPolarHBondContact O-CB 3.39Å; F257-N261 PolarHBondContact O-N 2.64Å
258R80.7Confident68.4Low133 Ų13397.2 Ų97.250%0.50246%0.459SS..Hα-helixtrans-65.1-38.8173.6-79.8179.7176-163.6-6113.5L200 R254 L255 R256 Q260 N261 Q262L200-R258 HydrophobicContact CD1-CB 4.1Å; R254-R258 WeakPolarHBondContact O-CB 3.44Å; R254-R258 WeakPolarHBondContact O-CG 2.99Å; R254-R258 PolarHBondContact O-N 3.25Å; L255-R258 PolarHBondContact O-N 2.79Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.27Å; R258-Q260 PolarHBondContact O-N 2.93Å; R258-N261 PolarHBondContact O-N 3.45Å; R258-Q262 WeakPolarHBondContact O-CG 2.97Å; R258-Q262 PolarHBondContact O-N 3.12Å
259A79.4Confident67.5Low25 Ų2591.3 Ų91.321%0.20744%0.442CS..Hα-helixtrans-62.3-36.517500000111.5L200 S224 L255 R256L200-A259 HydrophobicContact CD2-CB 3.81Å; S224-A259 WeakPolarHBondContact OG-CA 3.35Å; L255-A259 PolarHBondContact O-N 2.03Å; R256-A259 WeakPolarHBondContact O-CB 3.19Å; R256-A259 PolarHBondContact O-N 2.94Å
260Q76.1Confident66.4Low150 Ų15085.4 Ų85.470%0.70143%0.427SS*.Hα-helixtrans-77-37.3179.3-71172.8-29.900113.1R256 F257 R258R256-Q260 WeakPolarHBondContact O-CG 3.22Å; R256-Q260 PolarHBondContact O-N 3.28Å; F257-Q260 PolarHBondContact O-N 2.02Å; R258-Q260 PolarHBondContact O-N 2.93Å
261N68.9Low64.9Low66 Ų6689.7 Ų89.735%0.35344%0.44SS..Hα-helixtrans-92.91-172.1-7517.7000115.4F257 R258 H263 S264F257-N261 WeakPolarHBondContact CE1-ND2 3Å; F257-N261 WeakPolarHBondContact CE2-ND2 3.37Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.43Å; F257-N261 WeakPolarHBondContact O-CB 3.39Å; F257-N261 PolarHBondContact O-N 2.64Å; R258-N261 PolarHBondContact O-N 3.45Å; N261-H263 PolarHBondContact O-N 2.67Å; N261-H263 VanDerWaalsContact O-N 3.15Å; N261-S264 PolarHBondContact O-N 3.47Å; N261-S264 VanDerWaalsContact O-N 3.12Å
262Q64Low63Low43 Ų4392.4 Ų92.420%0.20146%0.462CS..Hα-helixtrans-69.9-10-175-100.5-175.85.300115.1S224 R258 S264 D265 H266S224-Q262 PolarHBondContact OG-OE1 3.47Å; R258-Q262 WeakPolarHBondContact O-CG 2.97Å; R258-Q262 PolarHBondContact O-N 3.12Å; Q262-S264 PolarHBondContact O-N 2.86Å; Q262-D265 PolarHBondContact O-N 3.34Å; Q262-H266 PolarHBondContact O-N 3Å
263H56.4Low61.1Low91 Ų9193.7 Ų93.742%0.42148%0.48SS..Hα-helixtrans-53.2-40.6166.6178.563.7000111.2T220 N261 L267T220-H263 PolarHBondContact OG1-CE1 2.83Å; T220-H263 PolarHBondContact OG1-ND1 2.03Å; N261-H263 PolarHBondContact O-N 2.67Å; N261-H263 VanDerWaalsContact O-N 3.15Å; H263-L267 WeakPolarHBondContact O-CD1 3.33Å; H263-L267 WeakPolarHBondContact O-CG 3.3Å
264S53Low58.8Low73 Ų7398.5 Ų98.551%0.5150%0.503SS..Hα-helixtrans-74.6-36.6-177.9-46.90000113.3N261 Q262 A268N261-S264 PolarHBondContact O-N 3.47Å; N261-S264 VanDerWaalsContact O-N 3.12Å; Q262-S264 PolarHBondContact O-N 2.86Å; S264-A268 PolarHBondContact O-N 2.92Å
265D50.3Low57.7Low97 Ų9797.7 Ų97.752%0.51951%0.506SS..Hα-helixtrans-73.9-34.4-175.4-69.6-23.1000112.3Q262 A268 S269Q262-D265 PolarHBondContact O-N 3.34Å; D265-A268 PolarHBondContact O-N 3.11Å; D265-S269 PolarHBondContact O-N 2.76Å
266H52.2Low56.5Low75 Ų75102.3 Ų102.335%0.34753%0.53SS..Hα-helixtrans-71-36.2175.7-110.3-72000112.6A222 Q262 A268 S269 A270A222-H266 HydrophobicContact CB-CB 4.21Å; A222-H266 WeakPolarHBondContact CB-CD2 3.11Å; A222-H266 VanDerWaalsContact CB-CG 3.48Å; A222-H266 VanDerWaalsContact CB-NE2 3.26Å; A222-H266 WeakPolarHBondContact CB-NE2 3.43Å; Q262-H266 PolarHBondContact O-N 3Å; H266-A268 VanDerWaalsContact C-N 3.27Å; H266-A268 PolarHBondContact O-N 2.68Å; H266-S269 PolarHBondContact O-N 2.78Å; H266-A270 PolarHBondContact O-N 3.37Å; H266-A270 VanDerWaalsContact O-N 3.11Å
267L48.1Very low55.1Low94 Ų94100.4 Ų100.449%0.49253%0.531SS..Hα-helixtrans-63.7-33.6172.9-70.5168.4000111.7H263 R271H263-L267 WeakPolarHBondContact O-CD1 3.33Å; H263-L267 WeakPolarHBondContact O-CG 3.3Å; L267-R271 PolarHBondContact O-N 3.25Å
268A41.8Very low53.5Low60 Ų6099 Ų9950%0.49653%0.53SS..Hα-helixtrans-70.3-40.217600000113.1S264 D265 H266 R271 S272S264-A268 PolarHBondContact O-N 2.92Å; D265-A268 PolarHBondContact O-N 3.11Å; H266-A268 VanDerWaalsContact C-N 3.27Å; H266-A268 PolarHBondContact O-N 2.68Å; A268-R271 PolarHBondContact O-N 2.7Å; A268-S272 PolarHBondContact O-N 3.31Å
269S45.8Very low51.8Low71 Ų7196.9 Ų96.950%0.49753%0.532SS..Hα-helixtrans-70.8-29.3175.5-82.20000113.9D265 H266 S272 S273D265-S269 PolarHBondContact O-N 2.76Å; H266-S269 PolarHBondContact O-N 2.78Å; S269-S272 PolarHBondContact O-OG 2.83Å; S269-S273 PolarHBondContact O-OG 2.82Å
270A42.8Very low49.9Very low59 Ų59101.7 Ų101.749%0.48855%0.554SS.*Hα-helixtrans-69.9-34.7175.900000112.1H266 S273H266-A270 PolarHBondContact O-N 3.37Å; H266-A270 VanDerWaalsContact O-N 3.11Å; A270-S273 PolarHBondContact O-N 3.05Å
271R40.4Very low48Very low213 Ų21398.2 Ų98.280%0.80454%0.543SS*.Hα-helixtrans-73.6-25.4176.2-78.6-175.9175.6-176.7-1.3114.3L267 A268 S273L267-R271 PolarHBondContact O-N 3.25Å; A268-R271 PolarHBondContact O-N 2.7Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 3.27Å
272S37.1Very low46.4Very low93 Ų93100.7 Ų100.765%0.6556%0.558SS**THydrogen-bonded Turntrans-83.80.5176.660.30000113.9A268 S269A268-S272 PolarHBondContact O-N 3.31Å; S269-S272 PolarHBondContact O-OG 2.83Å
273S37.9Very low45Very low103 Ų103105.5 Ų105.572%0.7259%0.588SS**THydrogen-bonded Turntrans-115.111.8-177.1-49.20000112.9S269 A270 R271S269-S273 PolarHBondContact O-OG 2.82Å; A270-S273 PolarHBondContact O-N 3.05Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 3.27Å
274Q33.9Very low43.9Very low237 Ų237106.8 Ų106.8100%1.10760%0.603SS**  trans-109.70170.7-80.5-176.6-16.600110

Retrieved 274 of 274 residues in 172.2 ms (Link to these results)