A0A087XJ90_POEFO Loading...

Fibronectin type-III domain-containing protein 3A

AlphaFold DB , UniProt , Accession A0A087XJ90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,236 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
1M35.1Very low36Very low240 Ų240136.6 Ų136.6100%1.18279%0.786SS**  098.30-62.8163.3-18000104.6
2A30.5Very low35.5Very low86 Ų86139.7 Ų139.771%0.71179%0.788SS**  66.7133.753.100000111
3D31.2Very low35Very low118 Ų118139.4 Ų139.463%0.63178%0.782SS**  cis-166.3161.33.8-114.9-25.8000108.7
4R31.8Very low34.4Very low203 Ų203141.2 Ų141.277%0.76679%0.788SS**  cis-162.5173.1-11.1-152.9-179.6-65.61514.7110
5T38.7Very low34.5Very low117 Ų117138.9 Ų138.972%0.71879%0.785SS**  trans-100.2-169.7160.461.20000109.6
6P49.3Very low35Very low116 Ų116137.1 Ų137.175%0.75378%0.781SS**  cis-132.5-1151.228.51000115.5
7P62.8Low34.6Very low103 Ų103139.1 Ų139.167%0.66978%0.782SS**  -139.2-166.2-12846.2-24.3000116.9
8L28.5Very low34.6Very low157 Ų157139.7 Ų139.782%0.82278%0.782SS**  trans-169.3135.4144.6-95.1140.7000106.2
9E30.9Very low35.1Very low170 Ų170138.1 Ų138.179%0.79478%0.778SS**  cis64.6137.445.6-76.4-169.7-179.800114.7
10S29.8Very low34.9Very low117 Ų117138.3 Ų138.382%0.81878%0.775SS**  cis-160.5172.1-7.455.10000110.7
11G27.3Very low34.6Very low76 Ų76139 Ų13978%0.78478%0.777SS**  trans168.6127.4172.600000113.2
12Q29.5Very low34.3Very low173 Ų173132.2 Ų132.281%0.80876%0.759SS**  trans-146.6155.3-167.7-137-166.55.700113.1
13L29.3Very low34.4Very low136 Ų136133.3 Ų133.371%0.71276%0.761SS**  trans63.9120.6159.5-59.7166000118.9
14L27.1Very low35.5Very low165 Ų165133.1 Ų133.186%0.86477%0.767SS**  -178.714795.5-92.2173000112.2
15S35.1Very low35.7Very low106 Ų106129.2 Ų129.274%0.74177%0.768SS**  trans-110.7163.2165-51.20000108.9
16P43.6Very low35.8Very low111 Ų111129.2 Ų129.272%0.72177%0.769SS**  -153.5159.991.538.9-19.7000118.2
17E28.1Very low36Very low171 Ų171129.7 Ų129.780%0.79977%0.772SS**  trans45.6117137.8-60.7176.211700124.1
18L33.9Very low34.4Very low150 Ų150129.7 Ų129.779%0.78578%0.781SS**  38.2149.4109.2-67.7171.5000120.3
19P43.9Very low34.4Very low109 Ų109131.1 Ų131.171%0.70879%0.786SS**  cis-156.2153.544.443.5-21.3000121.9
20I30.7Very low34.4Very low141 Ų141129.7 Ų129.772%0.72379%0.789SS**  72.6129.5126.8-65.8173.5000124.9
21L30.1Very low34.4Very low155 Ų155131.9 Ų131.981%0.81279%0.791SS**  trans50.9123.9151.6-78.9164.9000124.5
22A28.8Very low34.6Very low97 Ų97132 Ų13280%0.80279%0.792SS**  -163.4157.3124.300000111.4
23S31Very low34.9Very low108 Ų108133.6 Ų133.676%0.75580%0.8SS**  trans-135.3-174.2179.1-43.40000111.9
24P55.9Low34.9Very low115 Ų115130.2 Ų130.275%0.74780%0.798SS**  -86.5174.2-127.443.7-39.6000116.1
25P34.6Very low35.5Very low121 Ų121128.6 Ų128.679%0.78680%0.797SS**  -145.5170.7100.538.7-23.5000116.3
26P40.8Very low35.3Very low116 Ų116132.2 Ų132.275%0.75380%0.802SS**  trans-105.5-168.8176.441.7-34.7000113
27P54.4Low34.6Very low126 Ų126135.6 Ų135.682%0.81881%0.808SS**  cis-127.3176.7-48.836.5-21.3000112.9
28A28.3Very low34.7Very low103 Ų103133.1 Ų133.185%0.85181%0.805SS**  trans-152.9153.9162.800000112.7
29M29.1Very low34.5Very low187 Ų187132.8 Ų132.892%0.92180%0.802SS**  trans-104.1158.4174.1-66.4179170.800111.6
30V31.4Very low33.7Very low141 Ų141135.4 Ų135.486%0.85581%0.809SS**  -174.8154126.5142.80000110.8
31N30.4Very low33.7Very low163 Ų163133.9 Ų133.987%0.87281%0.806SS**  trans-62.1159.8-170.1-51.7-20.2000116.3
32G30.2Very low33.7Very low78 Ų78134.9 Ų134.980%0.80481%0.807SS**  trans-169.3117.9159.400000111.8
33E36Very low33.9Very low207 Ų207133.9 Ų133.997%0.96779%0.791SS**  trans-82.3147.5177.8-65179.612200111.9
34G30Very low34Very low65 Ų65133.9 Ų133.967%0.6778%0.782SS**  trans-121145.4173.900000111.4
35P39.6Very low32.7Very low130 Ų130135 Ų13584%0.84479%0.789SS**PPolyproline II helixtrans-77.4139.1-165.430-35.8000114
36Q30.5Very low33.1Very low183 Ų183133.1 Ų133.186%0.85579%0.792SS**PPolyproline II helixtrans-70.7131.3166.5-64.3176.9-6.300110.3
37Q29.3Very low32.8Very low182 Ų182135.3 Ų135.385%0.8579%0.792SS**PPolyproline II helixtrans-85.8120.9167.3-76.7-169.1-1100110.5
38V29.9Very low32Very low119 Ų119133 Ų13372%0.72178%0.784SS**PPolyproline II helixtrans-101.1119169.9178.80000108.5L40V38-L40 HydrophobicContact CG1-CG 4.41Å
39I29.8Very low32.6Very low142 Ų142134.2 Ų134.273%0.72877%0.77SS**  trans-99.4111.3174.5-56.5179.7000108.6V41I39-V41 HydrophobicContact CG2-CG2 4.03Å
40L27.3Very low33Very low164 Ų164129.1 Ų129.186%0.85975%0.75SS**  trans-94.6125.1171.6-81.4158000109.6V38V38-L40 HydrophobicContact CG1-CG 4.41Å
41V29.7Very low33.6Very low109 Ų109128.1 Ų128.166%0.66174%0.738SS**  trans-125125.3171.5-172.80000108.6I39 V43I39-V41 HydrophobicContact CG2-CG2 4.03Å; V41-V43 HydrophobicContact CG1-CG2 3.93Å
42Q31.8Very low34Very low176 Ų176128.5 Ų128.582%0.82273%0.728SS**  trans-103.4124.5173.4-178.7175.4-18.100108.5
43V31.9Very low34.7Very low76 Ų76133.4 Ų133.446%0.46172%0.722SS.*  trans-119.9128.3-177.3-175.70000109.2V41 F49V41-V43 HydrophobicContact CG1-CG2 3.93Å; V43-F49 HydrophobicContact CG1-CD1 4.35Å; V43-F49 HydrophobicContact CG2-CD1 4.17Å; V43-F49 HydrophobicContact CG2-CE1 4.41Å
44N34Very low34.9Very low108 Ų108133.4 Ų133.458%0.57872%0.722SS**  trans-92.2157174.9-68.8-36.1000110.7G46N44-G46 PolarHBondContact O-N 2.86Å
45P28Very low35.4Very low139 Ų139135.6 Ų135.690%0.90372%0.718SS**THydrogen-bonded Turntrans-69115.5-173.7-18.432.4000112.7
46G42Very low35.5Very low82 Ų82130.7 Ų130.785%0.84569%0.692SS**THydrogen-bonded Turntrans134.2-17.5167.100000116.2N44N44-G46 PolarHBondContact O-N 2.86Å
47E35.2Very low35.7Very low162 Ų162129.2 Ų129.276%0.75769%0.685SS**  trans-101.2149.3-176-64.3-174137.400113.1
48A37.9Very low36Very low78 Ų78127.3 Ų127.365%0.64567%0.674SS**  trans-93.6138.8172.700000110.5
49F41.7Very low36.4Very low127 Ų127128.5 Ų128.556%0.55767%0.672SS**  trans-116.7164.6176.764.8-91.8000111.5V43 I51V43-F49 HydrophobicContact CG1-CD1 4.35Å; V43-F49 HydrophobicContact CG2-CD1 4.17Å; V43-F49 HydrophobicContact CG2-CE1 4.41Å; F49-I51 HydrophobicContact CD2-CD1 4.44Å; F49-I51 HydrophobicContact CD2-CG1 4.12Å; F49-I51 HydrophobicContact CE2-CD1 3.95Å; F49-I51 HydrophobicContact CE2-CG1 4.1Å
50T36.4Very low36.5Very low80 Ų80126 Ų12649%0.49167%0.665SS.*  trans-131.6132.4179.7-42.40000109.4F58T50-F58 HydrophobicContact CG2-CB 4.1Å; T50-F58 HydrophobicContact CG2-CD1 3.93Å
51I44.7Very low37Very low120 Ų120124.8 Ų124.862%0.61566%0.658SS**EExtended strand (participates in β ladder)trans-107.8134.5173.5-61.6178.4000108.2F49F49-I51 HydrophobicContact CD2-CD1 4.44Å; F49-I51 HydrophobicContact CD2-CG1 4.12Å; F49-I51 HydrophobicContact CE2-CD1 3.95Å; F49-I51 HydrophobicContact CE2-CG1 4.1Å
52R37.5Very low37.1Very low171 Ų171125.3 Ų125.365%0.64566%0.662SS**EExtended strand (participates in β ladder)trans-93.1134.1171.3174.2176.8169.8-178-0.1109.2F58R52-F58 HydrophobicContact CB-CD1 4.16Å; R52-F58 HydrophobicContact CB-CE1 3.83Å; R52-F58 HydrophobicContact CB-CZ 4.38Å; R52-F58 HydrophobicContact CG-CE1 4.29Å; R52-F58 HydrophobicContact CG-CZ 4.36Å
53R45.8Very low37.1Very low181 Ų181120.5 Ų120.568%0.68366%0.66SS**  trans-91.9166.8170-78.1-176.5170.6-167.1-3.3111.5D55 G56 Q57R53-D55 WeakPolarHBondContact CB-OD1 3.29Å; R53-D55 PolarHBondContact O-N 2.77Å; R53-G56 PolarHBondContact O-N 3.3Å; R53-Q57 PolarHBondContact N-O 2.81Å
54E39.9Very low37.5Very low207 Ų207123.3 Ų123.397%0.96768%0.679SS**THydrogen-bonded Turntrans-63.8-23.9-178.7-63.3-176.5121.800113G56E54-G56 PolarHBondContact O-N 3.15Å
55D40.9Very low37Very low111 Ų111122.8 Ų122.859%0.59469%0.69SS**THydrogen-bonded Turntrans-68.3-10.1170.257.928.2000114.3R53 Q57R53-D55 WeakPolarHBondContact CB-OD1 3.29Å; R53-D55 PolarHBondContact O-N 2.77Å; D55-Q57 PolarHBondContact OD1-N 3.27Å
56G40.8Very low37.1Very low28 Ų28125.6 Ų125.629%0.28969%0.692SS.*SBendtrans83.72.6177.500000115.7R53 E54R53-G56 PolarHBondContact O-N 3.3Å; E54-G56 PolarHBondContact O-N 3.15Å
57Q34.6Very low36.4Very low151 Ų151127.9 Ų127.971%0.70669%0.689SS**  trans-86157174.8-65.5-161.80.800112.7R53 D55R53-Q57 PolarHBondContact N-O 2.81Å; D55-Q57 PolarHBondContact OD1-N 3.27Å
58F37.2Very low36.2Very low142 Ų142126 Ų12662%0.62369%0.691SS**EExtended strand (participates in β ladder)trans-118.6133.3178-64-92.6000109.4T50 R52T50-F58 HydrophobicContact CG2-CB 4.1Å; T50-F58 HydrophobicContact CG2-CD1 3.93Å; R52-F58 HydrophobicContact CB-CD1 4.16Å; R52-F58 HydrophobicContact CB-CE1 3.83Å; R52-F58 HydrophobicContact CB-CZ 4.38Å; R52-F58 HydrophobicContact CG-CE1 4.29Å; R52-F58 HydrophobicContact CG-CZ 4.36Å
59Q38.1Very low35.9Very low145 Ų145131 Ų13168%0.67870%0.703SS**EExtended strand (participates in β ladder)trans-118.7127.2173.9-167.4172.923.800109.8
60C31.2Very low35.3Very low88 Ų88133.9 Ų133.960%0.59572%0.72SS**  trans-104.5142.1175.9-170.70000109.8
61I37.2Very low35Very low139 Ų139133.8 Ų133.871%0.71372%0.723SS**  trans-133.4128.8178.1-56.5178.7000108.1
62T32Very low34.7Very low120 Ų120134.3 Ų134.374%0.73673%0.734SS**  trans-139.7129-17651.50000111.3
63G31.8Very low34.9Very low75 Ų75132.7 Ų132.777%0.77374%0.738SS**  trans165122.217300000112.7
64P39.9Very low34.7Very low135 Ų135127.7 Ų127.788%0.87774%0.743SS**  trans-94.1149.7-178.335.8-33.7000113.1
65A24.4Very low34.5Very low98 Ų98122.5 Ų122.581%0.8173%0.729SS**  trans-147.3131.9164.200000110.6
66Q30.4Very low34.2Very low198 Ų198122.9 Ų122.993%0.92574%0.736SS**  trans-107.2135167.4-72.6-172.8-10.200109.5
67V27.5Very low33.9Very low129 Ų129126.5 Ų126.578%0.78275%0.754SS**  trans-139.6133.5170.8-178.20000107.2
68P29.8Very low34Very low124 Ų124125.5 Ų125.581%0.80576%0.76SS**  trans-75.3148.7-168.129-36.1000113.9
69M32Very low34.3Very low182 Ų182123.9 Ų123.990%0.89776%0.757SS**  trans-85.3112.2172.7-68.3-135.4-59.200112
70M29.3Very low34.5Very low188 Ų188127 Ų12793%0.92676%0.764SS**  168146124.8-93.9-174.517200111.1
71S30.7Very low34.9Very low77 Ų77124.7 Ų124.754%0.53875%0.747SS.*  trans-124.3152.2156.181.40000108.8N73S71-N73 PolarHBondContact O-N 2.63Å
72P38.8Very low34.9Very low131 Ų131121.5 Ų121.585%0.85174%0.736SS**THydrogen-bonded Turntrans-74-9.5-167.3-18.933.5000115.4
73N40Very low35.1Very low138 Ų138121.7 Ų121.774%0.73874%0.739SS**THydrogen-bonded Turntrans-109.65.9-161-67.611.7000115S71 S75S71-N73 PolarHBondContact O-N 2.63Å; N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.41Å; N73-S75 VanDerWaalsContact O-N 3.07Å
74G42.3Very low35.6Very low76 Ų76120.1 Ų120.178%0.78472%0.723SS**  trans68.37.3164.900000118
75S35.3Very low36.1Very low97 Ų97119.3 Ų119.368%0.67870%0.703SS**PPolyproline II helixtrans-89139176.449.30000112.7N73N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.41Å; N73-S75 VanDerWaalsContact O-N 3.07Å
76V34.7Very low37.7Very low120 Ų120118 Ų11873%0.72768%0.684SS**PPolyproline II helixtrans-95.4142.6-179.7-174.90000109.8
77P34.8Very low38.7Very low103 Ų103111.5 Ų111.567%0.66966%0.661SS**PPolyproline II helixtrans-62.3152.1173.6-21.733.7000112.9
78P36.8Very low39.6Very low130 Ų130110.8 Ų110.884%0.84465%0.649SS**PPolyproline II helixtrans-67.5136.7175.728.7-34.5000111.5
79I42.8Very low40.4Very low108 Ų108110.4 Ų110.455%0.55464%0.639SS**PPolyproline II helixtrans-86.6130.8172.8-60.5174.7000108.4V81 V98I79-V81 HydrophobicContact CG2-CG2 4.49Å; I79-V98 HydrophobicContact CD1-CG1 4.25Å; I79-V98 HydrophobicContact CD1-CG2 3.98Å
80Y42.7Very low41Very low212 Ų212105 Ų10583%0.83161%0.613SS**PPolyproline II helixtrans-84.9122.6175.6-166.8-94.6000110.2
81V40.3Very low41.3Very low39 Ų39101.9 Ų101.924%0.23660%0.597CS.*  trans-112.8134.3-178.1-174.20000109.1I79 Y85 V100I79-V81 HydrophobicContact CG2-CG2 4.49Å; V81-Y85 WeakPolarHBondContact CG1-O 3.2Å; V81-V100 HydrophobicContact CG1-CG1 4.28Å
82P36.7Very low41.5Very low72 Ų72103.2 Ų103.247%0.46859%0.594SS.*  trans-63.1151.6177.2-22.734.2000113G84 Y85P82-G84 PolarHBondContact O-N 3.29Å; P82-Y85 HydrophobicContact CB-CD2 4.32Å; P82-Y85 PolarHBondContact O-N 3.09Å
83P36.3Very low41.2Very low124 Ų124104.7 Ų104.781%0.80560%0.595SS**THydrogen-bonded Turntrans-54.3137.7172.5-24.734.5000112.2
84G42.1Very low41Very low42 Ų42101.8 Ų101.843%0.43360%0.598SS.*THydrogen-bonded Turntrans85.36-177.400000115.2P82 Q103P82-G84 PolarHBondContact O-N 3.29Å; G84-Q103 WeakPolarHBondContact O-CB 3.3Å; G84-Q103 PolarHBondContact O-N 3.05Å
85Y50.4Low40.5Very low118 Ų118102.2 Ų102.246%0.46359%0.585SS.*EExtended strand (participates in β ladder)trans-126.4148.6174.5-67.8-98.1000111.7V81 P82 V100 L101 P102V81-Y85 WeakPolarHBondContact CG1-O 3.2Å; P82-Y85 HydrophobicContact CB-CD2 4.32Å; P82-Y85 PolarHBondContact O-N 3.09Å; Y85-V100 HydrophobicContact CD1-CG1 4.04Å; Y85-V100 HydrophobicContact CG-CG1 4.29Å; Y85-L101 CarbonylContact C-O 3.56Å; Y85-L101 VanDerWaalsContact CA-O 3.26Å; Y85-L101 WeakPolarHBondContact CA-O 3.4Å; Y85-P102 HydrophobicContact CD1-CB 4.1Å; Y85-P102 HydrophobicContact CE1-CB 3.78Å; Y85-P102 HydrophobicContact CE1-CG 4.5Å
86V58.3Low40.6Very low69 Ų69106.1 Ų106.142%0.41859%0.585SS.*EExtended strand (participates in β ladder)trans-121.7143.8176.1-65.50000110.8V100 L101V86-V100 WeakPolarHBondContact O-CA 3.46Å; V86-L101 HydrophobicContact CG2-CB 4.25Å; V86-L101 PolarHBondContact N-O 2.82Å; V86-L101 PolarHBondContact O-N 2.87Å
87S51.6Low41Very low63 Ų63107.1 Ų107.144%0.44158%0.576SS.*EExtended strand (participates in β ladder)trans-106.8130.1179.9610000112.3L99S87-L99 CarbonylContact C-O 3.55Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.42Å
88Q45.5Very low41.4Very low114 Ų114105.4 Ų105.453%0.53356%0.563SS.*EExtended strand (participates in β ladder)trans-119.7133.8173.7-171.3174.57.200110.3I90 L99Q88-I90 HydrophobicContact CG-CG1 4.5Å; Q88-L99 PolarHBondContact N-O 2.85Å; Q88-L99 PolarHBondContact O-N 2.82Å
89I47.8Very low41.9Very low115 Ų115103 Ų10359%0.5954%0.542SS*.EExtended strand (participates in β ladder)trans-93.8131.4175.1-53.7179.7000108.5R97 V98I89-R97 WeakPolarHBondContact CA-O 3.25Å; I89-V98 HydrophobicContact CG1-CG2 4.44Å
90I43.2Very low42.1Very low69 Ų69101.4 Ų101.435%0.35454%0.538SS..EExtended strand (participates in β ladder)trans-124.5129.6176.7-54.2178.2000108.1Q88 R97 L99Q88-I90 HydrophobicContact CG-CG1 4.5Å; I90-R97 PolarHBondContact N-O 3.48Å; I90-R97 PolarHBondContact O-N 3.01Å; I90-L99 HydrophobicContact CD1-CD2 4.28Å
91E36.9Very low42.4Very low123 Ų12394.8 Ų94.858%0.57552%0.516SS*.EExtended strand (participates in β ladder)trans-95.6119.9166-79-175.3155.900109.2R96E91-R96 HydrophobicContact CG-CG 3.61Å; E91-R96 IonicContact OE1-CZ 3.46Å; E91-R96 IonicContact OE1-NE 3.56Å; E91-R96 PolarHBondContact OE1-NE 3.4Å; E91-R96 IonicContact OE1-NH2 2.63Å; E91-R96 PolarHBondContact OE1-NH2 3.46Å
92E35.3Very low42.7Very low104 Ų10497.2 Ų97.249%0.48653%0.533SS..EExtended strand (participates in β ladder)trans-134.7127.7174.7-169.7179.6-135.100108.4G94 V95 R97E92-G94 PolarHBondContact O-N 3.35Å; E92-G94 VanDerWaalsContact O-N 3.11Å; E92-V95 PolarHBondContact N-O 2.6Å; E92-V95 PolarHBondContact O-N 2.9Å; E92-R97 IonicContact OE2-NH1 3.63Å; E92-R97 PolarHBondContact OE2-NH1 2.75Å
93N32.3Very low43.2Very low162 Ų162100 Ų10087%0.86654%0.54SS*.THydrogen-bonded Turntrans48.937.3-177.6-61.4-33.9000114.6V95N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 3.21Å
94G35Very low43.4Very low78 Ų78102.3 Ų102.380%0.80454%0.54SS*.THydrogen-bonded Turntrans804.2178.300000115.5E92E92-G94 PolarHBondContact O-N 3.35Å; E92-G94 VanDerWaalsContact O-N 3.11Å
95V32.9Very low43.2Very low84 Ų84105.8 Ų105.851%0.50956%0.555SS.*EExtended strand (participates in β ladder)trans-109126176.7-1770000110.1E92 N93 R97E92-V95 PolarHBondContact N-O 2.6Å; E92-V95 PolarHBondContact O-N 2.9Å; N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 3.21Å; V95-R97 HydrophobicContact CG1-CG 4.47Å
96R37Very low42.2Very low180 Ų180107.4 Ų107.468%0.67957%0.571SS**EExtended strand (participates in β ladder)trans-77.4119.8171.5-73.9177.1-178.6-162.3-8.6109.9E91E91-R96 HydrophobicContact CG-CG 3.61Å; E91-R96 IonicContact OE1-CZ 3.46Å; E91-R96 IonicContact OE1-NE 3.56Å; E91-R96 PolarHBondContact OE1-NE 3.4Å; E91-R96 IonicContact OE1-NH2 2.63Å; E91-R96 PolarHBondContact OE1-NH2 3.46Å
97R42Very low40.9Very low141 Ų141113.3 Ų113.353%0.53259%0.592SS.*EExtended strand (participates in β ladder)trans-113.6145.2172.2-67.7176.2173158.1-4.6109.6I89 I90 E92 V95I89-R97 WeakPolarHBondContact CA-O 3.25Å; I90-R97 PolarHBondContact N-O 3.48Å; I90-R97 PolarHBondContact O-N 3.01Å; E92-R97 IonicContact OE2-NH1 3.63Å; E92-R97 PolarHBondContact OE2-NH1 2.75Å; V95-R97 HydrophobicContact CG1-CG 4.47Å
98V44.1Very low40Very low66 Ų66118.7 Ų118.740%0.461%0.61SS.*EExtended strand (participates in β ladder)trans-110.3114.2175.3-174.40000108I79 I89I79-V98 HydrophobicContact CD1-CG1 4.25Å; I79-V98 HydrophobicContact CD1-CG2 3.98Å; I89-V98 HydrophobicContact CG1-CG2 4.44Å
99L47Very low39.6Very low79 Ų79119.4 Ų119.441%0.41462%0.624SS.*EExtended strand (participates in β ladder)trans-87.3141.8170.5-126.571.6000109S87 Q88 I90 L101S87-L99 CarbonylContact C-O 3.55Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.42Å; Q88-L99 PolarHBondContact N-O 2.85Å; Q88-L99 PolarHBondContact O-N 2.82Å; I90-L99 HydrophobicContact CD1-CD2 4.28Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CD2-CD2 4.16Å; L99-L101 HydrophobicContact CD2-CG 4.41Å
100V45.9Very low39.1Very low75 Ų75118 Ų11846%0.45564%0.638SS.*EExtended strand (participates in β ladder)trans-124.7121.5172.9-178.80000107.8V81 Y85 V86V81-V100 HydrophobicContact CG1-CG1 4.28Å; Y85-V100 HydrophobicContact CD1-CG1 4.04Å; Y85-V100 HydrophobicContact CG-CG1 4.29Å; V86-V100 WeakPolarHBondContact O-CA 3.46Å
101L49.7Very low38.4Very low73 Ų73117.7 Ų117.738%0.38265%0.652SS.*EExtended strand (participates in β ladder)trans-122.8139.9-171-64.2172.7000110.6Y85 V86 L99Y85-L101 CarbonylContact C-O 3.56Å; Y85-L101 VanDerWaalsContact CA-O 3.26Å; Y85-L101 WeakPolarHBondContact CA-O 3.4Å; V86-L101 HydrophobicContact CG2-CB 4.25Å; V86-L101 PolarHBondContact N-O 2.82Å; V86-L101 PolarHBondContact O-N 2.87Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CD2-CD2 4.16Å; L99-L101 HydrophobicContact CD2-CG 4.41Å
102P47.1Very low38.1Very low90 Ų90121.2 Ų121.258%0.58467%0.668SS**EExtended strand (participates in β ladder)trans-69.6141.2173.329.8-33.8000110.8Y85Y85-P102 HydrophobicContact CD1-CB 4.1Å; Y85-P102 HydrophobicContact CE1-CB 3.78Å; Y85-P102 HydrophobicContact CE1-CG 4.5Å
103Q47.6Very low38Very low130 Ų130121.6 Ų121.661%0.60768%0.682SS**PPolyproline II helixtrans-88.4119.6-179.2-167.617412.200110.4G84G84-Q103 WeakPolarHBondContact O-CB 3.3Å; G84-Q103 PolarHBondContact O-N 3.05Å
104Q40Very low38.6Very low174 Ų174119.2 Ų119.281%0.81368%0.676SS**PPolyproline II helixtrans-78.8152.3173.1-76.7-172.1-25.200111.7
105P37Very low38.3Very low114 Ų114122.3 Ų122.374%0.7467%0.673SS**PPolyproline II helixtrans-80.2130.5174.131.9-33.1000111.6
106D31Very low38.2Very low153 Ų153126.7 Ų126.782%0.81869%0.688SS**PPolyproline II helixtrans-68.5130.8175.7-70.1-56.6000112.2
107F29.3Very low37.8Very low192 Ų192126.5 Ų126.584%0.84269%0.694SS**  trans-136.5118.6169-110.2-88.9000109.8
108H33.6Very low38.2Very low177 Ų177125.3 Ų125.382%0.81971%0.705SS**  trans-117.5124.5172.7-79.1-29.8000110.7
109P37.9Very low38.2Very low129 Ų129127.6 Ų127.684%0.83872%0.721SS**  trans-80.4149.216833.7-32.9000110.9
110G36.5Very low38.2Very low85 Ų85129.2 Ų129.288%0.87674%0.736SS**  trans-116-179.8-177.200000114.6
111G29.3Very low38.7Very low63 Ų63131 Ų13165%0.64975%0.749SS**  trans-178.3140.1172.300000116.8
112H30.2Very low38.8Very low196 Ų196132.7 Ų132.791%0.90777%0.765SS**  trans78.7135.1155.3-55.2-75.6000122.3
113S31.9Very low38.2Very low113 Ų113136.2 Ų136.279%0.7977%0.773SS**  trans-123.7165.3159.9-44.70000107.6
114P45.4Very low37.4Very low112 Ų112133.1 Ų133.173%0.72777%0.77SS**  -158.4167.588.540.7-20.8000118.8
115L29.8Very low37Very low142 Ų142132.6 Ų132.674%0.74377%0.767SS**  trans54.2112145.4-70164.5000122.9
116H30.3Very low36.9Very low177 Ų177134.9 Ų134.982%0.81977%0.772SS**  177.1170103.5-101.8-79.4000113.8
117H27.2Very low37.5Very low175 Ų175133.6 Ų133.681%0.8177%0.772SS**  trans-129.5174.7-170.2-74.2-74.9000112.6
118P50.5Low37.7Very low117 Ų117128.9 Ų128.976%0.7677%0.768SS**  cis-115.4-103.9-2131.9-9.8000110
119P43.9Very low37.5Very low114 Ų114130.5 Ų130.574%0.7477%0.773SS**  cis-117.7173.2-15.242.6-28.4000115.7
120P47Very low37.3Very low112 Ų112132.6 Ų132.673%0.72777%0.774SS**  trans-121.1-157.2175.645.9-33000111.4
121P57.5Low38.1Very low114 Ų114134.3 Ų134.374%0.7477%0.77SS**  cis-116.3-141.1-15.537.9-17.2000108.8
122P50.8Low38.3Very low108 Ų108139.8 Ų139.870%0.70178%0.778SS**  cis-128.3-154.8-16.341.7-21.3000111.9
123H34.4Very low39.4Very low164 Ų164135.9 Ų135.976%0.75977%0.77SS**  cis-149.2-176.64.6-140.6-77.7000112.9
124A31.8Very low39.5Very low65 Ų65134.4 Ų134.454%0.53777%0.765SS.*  trans-73176.1-177.900000116
125H32Very low38.9Very low163 Ų163136.6 Ų136.676%0.75577%0.767SS**  cis-148.3156.132.8-73.2-97.2000116.8
126L33.4Very low39Very low161 Ų161138.2 Ų138.284%0.84377%0.773SS**  trans-107.9157.8149.7-74.8167.3000108.4
127P45.1Very low38.9Very low127 Ų127133 Ų13383%0.82577%0.767SS**  -145.8-179.494.839.5-23.2000114.8
128A32.4Very low40.5Very low93 Ų93130.7 Ų130.777%0.76977%0.768SS**  trans-105.4176.9179.700000113.2
129F29.3Very low40.7Very low210 Ų210130.7 Ų130.792%0.92177%0.767SS**  trans-137.4148.2165.1-110.6-89000111.8
130M33.8Very low41.7Very low174 Ų174130.6 Ų130.686%0.85777%0.767SS**  trans-134176.8176-103.7-172.9171.500107.5
131P53.5Low42.4Very low121 Ų121129.7 Ų129.779%0.78676%0.761SS**  cis-138.7-164.616.940.8-19.2000116.5
132H34.3Very low41.5Very low178 Ų178132.1 Ų132.182%0.82476%0.762SS**  trans-75.5-174.5172-96.3-51.5000114
133P52.4Low40.4Very low113 Ų113133.1 Ų133.173%0.73476%0.761SS**  cis-148.8173.921.144.6-24000121.6
134A34.6Very low40.3Very low82 Ų82135 Ų13568%0.67876%0.763SS**  trans65.4164.4149.700000120.7
135M32.3Very low40.2Very low158 Ų158138 Ų13878%0.77878%0.775SS**  cis-152.2153.620.4-97.6-57.3175.100115.2
136M31.5Very low40.1Very low176 Ų176134 Ų13487%0.86778%0.778SS**  trans67.5152.5148.6-64.1-63-178.400124.9
137G28.9Very low39.8Very low67 Ų67135.1 Ų135.169%0.69178%0.781SS**  trans-148.8-148.4171.400000109.9
138P61.7Low40Very low128 Ų128134.8 Ų134.883%0.83178%0.779SS**  cis-123.9-130.9-9.128.3-0.6000109.8
139P54.2Low39.8Very low116 Ų116134 Ų13475%0.75378%0.78SS**  cis-135.8-122.8-13.446.6-22.8000115
140P64.6Low39.8Very low113 Ų113127.4 Ų127.473%0.73477%0.771SS**  trans-125.4-140.8-159.939.7-12.5000112.9
141P62.4Low39.5Very low92 Ų92126.7 Ų126.760%0.59778%0.776SS**  cis-140.3-171-17.442.5-23000117.5
142H37.8Very low38.3Very low165 Ų165124.3 Ų124.376%0.76477%0.773SS**  trans72.8161.3149.7-67.2-21.1000120.9
143L28.9Very low37.9Very low130 Ų130122.5 Ų122.568%0.68177%0.77SS**  cis-167.3164.3-20.7-108.7173.6000113.1
144Y31.7Very low36.8Very low203 Ų203124.8 Ų124.880%0.79677%0.773SS**  trans59.7139.5173-83.1-113.1000117.1
145T29.9Very low36.4Very low129 Ų129125.4 Ų125.479%0.79177%0.772SS**  cis93.1125.920.469.60000118.3
146G28.4Very low36.3Very low79 Ų79122.5 Ų122.581%0.81477%0.767SS**  trans167.9140.2171.400000115.7
147M29Very low36.5Very low183 Ų183122.6 Ų122.690%0.90177%0.765SS**  trans-126.2-159.3168.3-47.4-156.7-57.500108.3
148P48.8Very low36.5Very low121 Ų121130.2 Ų130.279%0.78678%0.775SS**  cis-135.3-176.2-23.939.6-22.2000114.7
149G27.3Very low35.1Very low77 Ų77130.7 Ų130.779%0.79477%0.769SS**  trans109.3157.2136.700000120.9
150G29.2Very low34.7Very low71 Ų71131.4 Ų131.473%0.73277%0.774SS**  trans86.1124.7177.400000113.9
151V27.6Very low33.1Very low159 Ų159133.4 Ų133.496%0.96477%0.773SS**  cis73.6122.211-162.40000115.7
152G29.8Very low31.8Very low71 Ų71138.8 Ų138.873%0.73278%0.783SS**  trans113.4101.8-17300000110.7
153D25Very low31.6Very low140 Ų140139.1 Ų139.175%0.74979%0.785SS**  cis92.4131.230.6-162.125.5000114.6
154M29.4Very low32.7Very low161 Ų161138.4 Ų138.479%0.79379%0.788SS**  trans58.5160174.9-60.6-157.1-169.400118.5
155S27.1Very low32.7Very low95 Ų95132.3 Ų132.366%0.66478%0.779SS**  cis-168177.1-29.959.30000110
156S29Very low33.1Very low97 Ų97134.2 Ų134.268%0.67878%0.779SS**  trans41.4111.515957.50000119.8
157Q35.6Very low33.3Very low177 Ų177136.6 Ų136.683%0.82777%0.772SS**  53.1116.587.7-68.3-173.9-6.400116.4
158Y29.3Very low33.3Very low227 Ų227137.6 Ų137.689%0.8977%0.771SS**  -167.5167.5116.6-124-98.3000112.3
159I32.1Very low32.6Very low138 Ų138136.1 Ų136.171%0.70876%0.764SS**  trans-131.5149.3-174.9-50163.6000109.2
160P44.8Very low32.8Very low131 Ų131140.1 Ų140.185%0.85176%0.762SS**  -143.5170.5122.433-15.6000115.3
161Q32.8Very low32.9Very low155 Ų155144.1 Ų144.172%0.72476%0.762SS**  trans-114.6160.5-178.2-55.6158.4-49.700111.1
162Y33.7Very low32.9Very low205 Ų205142.7 Ų142.780%0.80475%0.748SS**  170.8167.8112.8-107.5-86.2000116.6
163H34.7Very low33Very low172 Ų172144 Ų14480%0.79675%0.747SS**  trans-78.3-171.8179.4-87.1-53.8000114.1
164P51.2Low33.2Very low115 Ų115146.4 Ų146.475%0.74775%0.753SS**  cis-154.5-177.726.545.8-23.6000121.8
165A32.5Very low33.1Very low75 Ų75144.3 Ų144.362%0.6275%0.754SS**  trans63.7157.4149.200000120.6
166H37.9Very low33.2Very low170 Ų170147.9 Ų147.979%0.78776%0.76SS**  cis-179.7170.1-18.3-89.3-29.9000107.1
167I32.3Very low33.3Very low129 Ų129151.8 Ų151.866%0.66277%0.767SS**  cis-167.9151.7-11.9-103.5165000107.1
168F28.4Very low32.8Very low203 Ų203147 Ų14789%0.8977%0.766SS**  trans-174.5-174.6143.7-113.6-78000113.1
169S34.8Very low32.6Very low90 Ų90147 Ų14763%0.62976%0.764SS**  trans-145.6-163.8-142.162.40000118.8
170E30.9Very low32.2Very low162 Ų162147 Ų14776%0.75776%0.762SS**  trans92.2142.9173.1-58.8-173152.300117.1
171Q32.8Very low31.4Very low154 Ų154145.4 Ų145.472%0.7275%0.754SS**  cis-160.6174.1-13.6-122.6172.1-2.100113.7
172D26.9Very low31.1Very low129 Ų129147.4 Ų147.469%0.6976%0.76SS**  trans72.494.5151.6-68.67.3000127.2
173S31.8Very low30.9Very low100 Ų100144.7 Ų144.770%0.69976%0.759SS**  65.4120.7118.772.40000126.7
174H29.5Very low30.8Very low189 Ų189143.1 Ų143.188%0.87575%0.752SS**  trans37.4136.1138.5-66.2-58.1000123.3
175S26.5Very low29.6Very low117 Ų117146.9 Ų146.982%0.81875%0.751SS**  -175.6-176.87248.60000114
176Q30Very low29.5Very low170 Ų170149.3 Ų149.379%0.79475%0.754SS**  trans-128.4170.9-174.2-75.2-176.2-36.300114.7
177H30.8Very low29.1Very low179 Ų179147.6 Ų147.683%0.82975%0.75SS**  trans82.3101.2159.4-71.3-63.6000120.1
178G25Very low28.9Very low78 Ų78153.4 Ų153.480%0.80476%0.764SS**  trans-83.2-166.4178.400000118.2
179R24.9Very low29.2Very low225 Ų225146.8 Ų146.885%0.84975%0.746SS**  trans-158.9137.5167.1-126.4-172.9-178.3-168.5-2.2114.3
180Q24.5Very low29Very low140 Ų140149.4 Ų149.465%0.65475%0.753SS**  trans46.3101.4139.3-76.5174.5-43.200122.6
181S28.3Very low29.1Very low97 Ų97151 Ų15168%0.67876%0.758SS**  47.3117.8110.766.40000122.6
182F26.3Very low29Very low197 Ų197149.6 Ų149.686%0.86476%0.76SS**  trans-162.7153.4151.5-80.8-37.5000106.7
183L29.7Very low29.2Very low148 Ų148151.7 Ų151.778%0.77577%0.765SS**  cis-163.9166-14.7-88.6170.6000105
184H31.1Very low29.1Very low139 Ų139154.9 Ų154.964%0.64477%0.769SS**  cis-179.9161.7-24.8166.558.2000108.6
185R26.3Very low29.2Very low193 Ų193157.1 Ų157.173%0.72877%0.77SS**  trans81.6123.9159.9-121.5165.1-174.5169.62.3120.5
186D31.4Very low29.4Very low127 Ų127158.6 Ų158.668%0.67977%0.767SS**  25.4154.6114.9-25.4-32.3000118.9
187D29.8Very low29.7Very low134 Ų134160 Ų16072%0.71777%0.774SS**  cis-160.8157.620.8-159.1-22.1000111.9A189D187-A189 VanDerWaalsContact OD1-CB 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.25Å; D187-A189 PolarHBondContact OD1-N 3.36Å
188R28.3Very low29.9Very low251 Ų251160.1 Ų160.195%0.94777%0.772SS**  trans-151.751.9155-154.8-178.7-173.3178.63.8113.4
189A34.4Very low30.2Very low63 Ų63164.7 Ų164.752%0.52177%0.77SS.*  trans-78.5150.1-178.600000116.1D187D187-A189 VanDerWaalsContact OD1-CB 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.25Å; D187-A189 PolarHBondContact OD1-N 3.36Å
190N30.6Very low30.5Very low146 Ų146161.3 Ų161.378%0.78177%0.768SS**  trans61.5107.6141.6-62.6-21.8000122.6
191K31.3Very low30.8Very low196 Ų196162.4 Ų162.485%0.85277%0.77SS**SBend-133.7141.1112.6-79.5-168177.4178.70108
192T31.7Very low31.1Very low123 Ų123164.3 Ų164.376%0.75577%0.769SS**  cis-150.6123.8-0.2-2.10000109.1
193H32Very low31.5Very low174 Ų174164.7 Ų164.781%0.80676%0.764SS**  trans-111.897.5163.7176.390.9000108.3
194E29Very low31.5Very low166 Ų166165.5 Ų165.578%0.77676%0.764SS**  trans-15390.8166.8-152.3178.1-124.400112.7
195R30.7Very low31.4Very low237 Ų237162.5 Ų162.589%0.89477%0.771SS**SBendtrans-169.781.2130.5-103.1167.8-171.8-159.30.9111
196L30.9Very low31.4Very low147 Ų147157.2 Ų157.277%0.7778%0.777SS**  trans26.1109.8144.9-76.9156.7000117.4K198L196-K198 PolarHBondContact O-N 2.99Å
197Q37.7Very low31.3Very low199 Ų199155.1 Ų155.193%0.9379%0.785SS**  trans-58.4122.7146.9-74.4-171.7-6.600109.2
198K34.3Very low31.2Very low182 Ų182152.9 Ų152.979%0.79179%0.793SS**  trans-136.888.9166.7-169.9179.4176.6-177.60111.7L196L196-K198 PolarHBondContact O-N 2.99Å
199K31.8Very low31.3Very low174 Ų174145 Ų14576%0.75779%0.791SS**  trans53.8124.7147.2-65.4-175.3174.3-172.70119.3
200L31Very low30.9Very low154 Ų154145.4 Ų145.481%0.80680%0.8SS**  58143128.9-58163.1000117.9
201K30.8Very low30.8Very low163 Ų163147.7 Ų147.771%0.70981%0.806SS**  cis-162156.722.8-144.5-173.7-176.2-133.70110.7
202E33.4Very low30.6Very low138 Ų138143.3 Ų143.365%0.64580%0.796SS**  trans27.7138.7149.4-72.4172.2134.700124.6
203R34.7Very low30.5Very low205 Ų205146.1 Ų146.177%0.77480%0.797SS**  trans89.5127.6136.5-92.9-171.2166.1-160.9-2.3122.4
204Q29.8Very low30.4Very low165 Ų165144.8 Ų144.877%0.77180%0.796SS**  trans65128.1142.3-73.3-179.3-38.800121.4
205G28.4Very low30.4Very low76 Ų76142.2 Ų142.278%0.78480%0.797SS**  132118.8120.700000117.1
206G28.2Very low31.4Very low82 Ų82136.4 Ų136.485%0.84579%0.79SS**  trans76.4148.8170.600000114.6
207G28.6Very low32.1Very low83 Ų83134.7 Ų134.786%0.85679%0.788SS**  cis100122.5600000111.7
208G27.7Very low31.7Very low86 Ų86130.1 Ų130.189%0.88778%0.777SS**  cis-179.4-162.2-1.600000111.8
209G29.6Very low31.4Very low87 Ų87127 Ų12790%0.89778%0.778SS**  trans-176.5128.5174.100000110.1
210G26Very low31.5Very low70 Ų70124.5 Ų124.572%0.72278%0.78SS**  trans-176.5-172.7-176.700000111.9
211Q28.9Very low31.4Very low194 Ų194125.8 Ų125.891%0.90778%0.782SS**  trans76.2146-168.4-56.1-165-6.800114.3
212V27.8Very low31.1Very low104 Ų104128.4 Ų128.463%0.6379%0.793SS**  cis-164.1161.6-11.3126.10000108.2
213K29.9Very low30.8Very low182 Ų182127.1 Ų127.179%0.79180%0.8SS**  trans71.8145.9173.4-77.5160.1-170.4179.90115.9
214D28.5Very low30.3Very low146 Ų146123.6 Ų123.678%0.78181%0.805SS**  cis-130.2168.85.5-85.5-51.5000113.1
215S30Very low30.2Very low112 Ų112121.4 Ų121.478%0.78381%0.808SS**  trans-154.2175.3178.1-56.90000110.4
216P50.7Low30.3Very low116 Ų116123.1 Ų123.175%0.75381%0.808SS**  -115.6-152.8-71.734-14000109.7
217P45.8Very low30.6Very low111 Ų111124.8 Ų124.872%0.72180%0.804SS**  -152.7154.87742.6-23.1000118.7
218S29.3Very low30.8Very low102 Ų102126.9 Ų126.971%0.71380%0.802SS**  trans48.6119.1139.366.70000122.9
219S28.3Very low30.7Very low116 Ų116129 Ų12981%0.81180%0.798SS**PPolyproline II helixtrans-82.4145133.149.40000110.6
220P34.9Very low30.7Very low122 Ų122131.2 Ų131.279%0.79279%0.794SS**PPolyproline II helixtrans-91.8153.2172.434.4-32.4000113.3
221Q27.2Very low30.7Very low182 Ų182135 Ų13585%0.8580%0.797SS**PPolyproline II helixtrans-56.3148.2-172.8-60.1155.1-69.500115.3
222K26.3Very low30.6Very low217 Ų217132.4 Ų132.494%0.94379%0.788SS**PPolyproline II helixtrans-67.6135.4145.4-73.8-176.6176.4-178.40108.6
223S25.4Very low30.6Very low112 Ų112135.2 Ų135.278%0.78380%0.795SS**  trans-138162.3163.761.80000110.2
224C24.1Very low30.6Very low130 Ų130133.6 Ų133.688%0.87879%0.794SS**  trans-83.9150.6-161.6-50.70000113.9
225S27.8Very low30.6Very low119 Ų119129.7 Ų129.783%0.83279%0.789SS**  trans-148.3153.6143.241.50000110.2
226S31.3Very low30.5Very low112 Ų112131.3 Ų131.378%0.78379%0.794SS**  trans-91.6179.8-169.5-48.20000111.2
227P34.7Very low29.5Very low118 Ų118129.5 Ų129.577%0.76680%0.796SS**PPolyproline II helixtrans-73.8154.5-154.631.2-36.9000114.7
228P32.8Very low28.7Very low126 Ų126127.5 Ų127.582%0.81880%0.796SS**PPolyproline II helixtrans-73.4151.917432.3-35.6000112.3
229T26.3Very low28.6Very low131 Ų131133.3 Ų133.380%0.80481%0.808SS**PPolyproline II helixtrans-70.4158.3168.632.80000112.6
230V27.8Very low28.6Very low133 Ų133131 Ų13181%0.80680%0.802SS**PPolyproline II helixtrans-60.7140.9165177.60000109.6
231D26.8Very low28.2Very low149 Ų149132.9 Ų132.980%0.79781%0.805SS**  trans-130.8152.5161.5-125.3-41.8000111
232I27Very low28.3Very low140 Ų140130.7 Ų130.772%0.71880%0.799SS**  trans-106.8163.4-163.3-68166.5000110.4
233H28.7Very low28.3Very low164 Ų164124.4 Ų124.476%0.75979%0.788SS**  trans161.9144.6141.9-90.673.9000109
234N29.2Very low28.3Very low147 Ų147126.4 Ų126.479%0.78678%0.784SS**  cis-159.4149.73.8-149.6-1.6000113.4
235G27.5Very low28.4Very low65 Ų65125.8 Ų125.867%0.6777%0.772SS**  trans68.8157.5164.200000118
236V29.4Very low28.3Very low145 Ų145129.9 Ų129.988%0.87977%0.769SS**  cis-146.2126.1-3.7175.80000105.9
237G28.5Very low28.2Very low78 Ų78132.6 Ų132.680%0.80477%0.769SS**  78.7125.583.300000113.2
238G29.1Very low27.7Very low70 Ų70130.3 Ų130.372%0.72277%0.767SS**  cis172.2-165.5-000000112.6
239K28.2Very low27.6Very low224 Ų224131 Ų13197%0.97477%0.769SS**  trans77.6137.1-173.7-51.8178.4-179.7-178.90115.4
240G27.2Very low27.5Very low66 Ų66129.3 Ų129.368%0.6877%0.768SS**  cis157.8156.3-12.400000113.9
241L28.1Very low27.7Very low163 Ų163129.5 Ų129.585%0.85377%0.774SS**  trans68147.1171.2-54.8174.7000114.9
242D27.4Very low27.8Very low135 Ų135126.8 Ų126.872%0.72277%0.767SS**  cis-136.9147.53-96.5-42.4000109.5
243A27.5Very low28.1Very low85 Ų85125.6 Ų125.670%0.70276%0.762SS**  64.1142.899.300000115.8
244E24.6Very low28.4Very low154 Ų154126 Ų12672%0.7276%0.761SS**  cis-169.7153.5-9-124.1-158.5139.800110.7
245L26.2Very low28.8Very low117 Ų117126.9 Ų126.961%0.61376%0.761SS**  trans59.8171.6150.1-55.5173.8000118.1
246R26.1Very low29.2Very low205 Ų205129.9 Ų129.977%0.77477%0.766SS**  cis-147.3-178.8-28.6-124.5177.6-171.5175.110.4112.8
247H29Very low29.2Very low169 Ų169126.5 Ų126.578%0.78276%0.761SS**  trans-58.6160.5176.4-42.3-30.8000116.7
248G25.3Very low29.6Very low71 Ų71133.3 Ų133.373%0.73277%0.768SS**  trans-174.4118152.200000106.8
249V30.7Very low29.7Very low140 Ų140133.9 Ų133.985%0.84877%0.774SS**  cis63.293.429-169.20000113.3
250A23.3Very low30.3Very low96 Ų96132.5 Ų132.579%0.79377%0.768SS**  trans-157.8132.2150.200000110
251C31.2Very low30.7Very low136 Ų136136.4 Ų136.492%0.91977%0.773SS**  trans-114.1143.4167.5-68.80000109.4
252S30.3Very low30.9Very low93 Ų93131.6 Ų131.665%0.6576%0.763SS**  trans-176.4140.2170.960.30000108.9
253D33.5Very low31.2Very low114 Ų114133.8 Ų133.861%0.6177%0.769SS**  cis-167154.81.3-137.4-14.9000112.9
254K34.4Very low32.2Very low172 Ų172133.9 Ų133.975%0.74876%0.764SS**  trans51.7167.1147.8-74.4154.2-162.2152.70120.6
255Q37.5Very low33.3Very low167 Ų167136.3 Ų136.378%0.7877%0.767SS**  cis-119.1-156.7-0.9-63.6179.89.500109.4
256T35.9Very low34.4Very low128 Ų128137.5 Ų137.579%0.78577%0.769SS**  cis-155.2157.1-0.2-32.20000110
257G30.5Very low35.7Very low74 Ų74134.3 Ų134.376%0.76377%0.767SS**  trans179.1145.4165.600000112.7
258K36.5Very low37.2Very low221 Ų221130.5 Ų130.596%0.96175%0.752SS**  trans-110.5147.2-173.1-77.2-176.9175.2177.40114
259G31.3Very low38.9Very low82 Ų82133.3 Ų133.385%0.84574%0.744SS**  trans-160.4132.716500000113.3
260K40Very low40.3Very low194 Ų194133.3 Ų133.384%0.84374%0.735SS**  trans-89.4170.9171.1-73.5-174.3178.3-179.90109.5
261N35.8Very low42.2Very low149 Ų149130.7 Ų130.780%0.79771%0.714SS**  cis-164.2167.8-12.3-105.123.4000104.1
262G31.7Very low44Very low61 Ų61130.3 Ų130.363%0.62970%0.698SS**  cis154.694.4-1.700000111.1
263E34.3Very low45.7Very low182 Ų182128.9 Ų128.985%0.8569%0.692SS**SBendtrans-141.2141.3171-98.1-174.916400107.4
264S47.4Very low47.5Very low87 Ų87125.8 Ų125.861%0.60868%0.675SS**  cis-127.647.75.7-68.70000113.7E266S264-E266 PolarHBondContact O-N 3.48Å
265R49.1Very low49.3Very low205 Ų205120.3 Ų120.377%0.77465%0.654SS**SBendtrans61.4-3.8139.3-147171.5-177.6179.7-2.4120.3
266E49.7Very low50.9Low142 Ų142115.2 Ų115.266%0.66464%0.64SS**SBendtrans-115.2-45.9175.1-62.2-168.4124.400111.1S264 D268 K269S264-E266 PolarHBondContact O-N 3.48Å; E266-D268 PolarHBondContact O-N 2.97Å; E266-K269 WeakPolarHBondContact O-CB 3.32Å; E266-K269 PolarHBondContact O-N 3.14Å
267L52.8Low52.8Low137 Ų137110.2 Ų110.272%0.71761%0.609SS**Hα-helixtrans-54.5-32.2170-75.4163.6000113.6K269 A271L267-K269 PolarHBondContact O-N 2.91Å; L267-A271 PolarHBondContact O-N 3.07Å
268D60.9Low54.9Low90 Ų90106.8 Ų106.848%0.48157%0.573SS.*Hα-helixtrans-59.9-29.2174.9-80.5-47.3000113E266 Q272E266-D268 PolarHBondContact O-N 2.97Å; D268-Q272 WeakPolarHBondContact O-CB 3.33Å; D268-Q272 WeakPolarHBondContact O-CG 3.45Å; D268-Q272 PolarHBondContact O-N 2.95Å
269K60.3Low56.9Low129 Ų12998.3 Ų98.356%0.56154%0.541SS*.Hα-helixtrans-75.1-42.6-174.1-61.6176.5-174.8165.70111.7E266 L267 Q272 A273E266-K269 WeakPolarHBondContact O-CB 3.32Å; E266-K269 PolarHBondContact O-N 3.14Å; L267-K269 PolarHBondContact O-N 2.91Å; K269-Q272 PolarHBondContact O-N 3.36Å; K269-A273 WeakPolarHBondContact O-CB 3.22Å; K269-A273 PolarHBondContact O-N 2.85Å
270E60.2Low59.1Low141 Ų14198 Ų9866%0.65952%0.52SS*.Hα-helixtrans-65.7-45177.7-63.9178.6157.800110.6Q272 A273 L274E270-Q272 VanDerWaalsContact C-N 3.31Å; E270-Q272 PolarHBondContact O-N 2.83Å; E270-A273 PolarHBondContact O-N 3Å; E270-L274 PolarHBondContact O-N 3.3Å
271A63.3Low61Low41 Ų4189.7 Ų89.734%0.33949%0.485SS..Hα-helixtrans-60.4-38.7174.400000112.5L267 L275L267-A271 PolarHBondContact O-N 3.07Å; A271-L275 WeakPolarHBondContact O-CD1 3.17Å; A271-L275 PolarHBondContact O-N 3.49Å
272Q67.8Low63Low127 Ų12784.6 Ų84.659%0.59346%0.461SS*.Hα-helixtrans-70.4-36.6174.9-76.5173.623.300113.1D268 K269 E270 L275 A276D268-Q272 WeakPolarHBondContact O-CB 3.33Å; D268-Q272 WeakPolarHBondContact O-CG 3.45Å; D268-Q272 PolarHBondContact O-N 2.95Å; K269-Q272 PolarHBondContact O-N 3.36Å; E270-Q272 VanDerWaalsContact C-N 3.31Å; E270-Q272 PolarHBondContact O-N 2.83Å; Q272-L275 WeakPolarHBondContact O-CA 3.13Å; Q272-L275 PolarHBondContact O-N 2.71Å; Q272-A276 PolarHBondContact O-N 2.81Å
273A67.2Low65.1Low64 Ų6486.5 Ų86.553%0.52945%0.452SS..Hα-helixtrans-63.8-40.8173.900000111.6K269 E270 A276 L277K269-A273 WeakPolarHBondContact O-CB 3.22Å; K269-A273 PolarHBondContact O-N 2.85Å; E270-A273 PolarHBondContact O-N 3Å; A273-A276 PolarHBondContact O-N 3.15Å; A273-L277 PolarHBondContact O-N 2.88Å; A273-L277 VanDerWaalsContact O-N 3.08Å
274L70.7Confident67.4Low48 Ų4878 Ų7825%0.25141%0.412SS..Hα-helixtrans-66.6-43.6172.9-146.180.1000111.9E270 A276 L277 L278 P318 L369E270-L274 PolarHBondContact O-N 3.3Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.17Å; L274-L277 PolarHBondContact O-N 2.77Å; L274-L278 HydrophobicContact CD2-CD1 4.23Å; L274-L278 HydrophobicContact CG-CD1 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.29Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.2Å; L274-L278 PolarHBondContact O-N 3.11Å; L274-P318 HydrophobicContact CD1-CG 3.76Å; L274-L369 HydrophobicContact CB-CD1 4.48Å; L274-L369 HydrophobicContact CD2-CD1 3.86Å
275L72.5Confident68.9Low58 Ų5880.3 Ų80.330%0.30442%0.415SS..Hα-helixtrans-33.7-60.2161.162.860.1000114.1A271 Q272 S279 L369 L370A271-L275 WeakPolarHBondContact O-CD1 3.17Å; A271-L275 PolarHBondContact O-N 3.49Å; Q272-L275 WeakPolarHBondContact O-CA 3.13Å; Q272-L275 PolarHBondContact O-N 2.71Å; L275-S279 WeakPolarHBondContact O-CB 3.47Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.94Å; L275-L369 HydrophobicContact CD2-CB 3.83Å; L275-L369 HydrophobicContact CD2-CD2 3.82Å; L275-L369 HydrophobicContact CD2-CG 4.34Å; L275-L369 HydrophobicContact CG-CB 4.26Å; L275-L369 HydrophobicContact CG-CD2 4.11Å; L275-L370 VanDerWaalsContact CD2-O 3.29Å; L275-L370 WeakPolarHBondContact CD2-O 3.22Å
276A71Confident70.6Confident59 Ų5972.2 Ų72.249%0.48839%0.388SS..Hα-helixtrans-68.6-42.9-175.800000111.9Q272 A273 L274 S279Q272-A276 PolarHBondContact O-N 2.81Å; A273-A276 PolarHBondContact O-N 3.15Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.17Å; A276-S279 PolarHBondContact O-N 3.02Å
277L75.8Confident72Confident24 Ų2468.2 Ų68.213%0.12638%0.376CS..Hα-helixtrans-59.8-53.1176.4179.470.5000111.6A273 L274 S279 N280 P301 R303 L317A273-L277 PolarHBondContact O-N 2.88Å; A273-L277 VanDerWaalsContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 2.77Å; L277-S279 PolarHBondContact O-N 3.04Å; L277-N280 PolarHBondContact O-N 2.9Å; L277-P301 WeakPolarHBondContact O-CB 3.2Å; L277-R303 HydrophobicContact CD1-CB 4.28Å; L277-L317 HydrophobicContact CD1-CD2 4.11Å; L277-L317 HydrophobicContact CD2-CD2 3.68Å
278L75.4Confident73.4Confident2 Ų266.6 Ų66.61%0.0137%0.368CS..Hα-helixtrans-62.7-27.1-178.7-67.8165.8000112.9L274 N280 L321 C366 L369L274-L278 HydrophobicContact CD2-CD1 4.23Å; L274-L278 HydrophobicContact CG-CD1 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.29Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.2Å; L274-L278 PolarHBondContact O-N 3.11Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.93Å; L278-L321 HydrophobicContact CD2-CD2 3.46Å; L278-L321 VanDerWaalsContact CD2-CD2 3.46Å; L278-C366 HydrophobicContact CD1-CB 4.01Å; L278-C366 HydrophobicContact CD2-CB 3.73Å; L278-C366 HydrophobicContact CG-CB 4.49Å; L278-L369 HydrophobicContact CD1-CB 3.98Å
279S78.3Confident74.5Confident42 Ų4265.2 Ų65.229%0.29436%0.36SS..THydrogen-bonded Turntrans-76.5-12.7176.9-61.60000113.9L275 A276 L277 I281 S372L275-S279 WeakPolarHBondContact O-CB 3.47Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.94Å; A276-S279 PolarHBondContact O-N 3.02Å; L277-S279 PolarHBondContact O-N 3.04Å; S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 2.85Å; S279-S372 PolarHBondContact OG-N 2.87Å; S279-S372 PolarHBondContact OG-OG 3.2Å
280N77.4Confident75.6Confident77 Ų7764 Ų6441%0.41236%0.357SS..  trans-92.249.2-175.8-162.226.6000112.4L277 L278 P301 T302L277-N280 PolarHBondContact O-N 2.9Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.93Å; N280-P301 WeakPolarHBondContact O-CA 3.15Å; N280-T302 PolarHBondContact ND2-O 2.84Å; N280-T302 PolarHBondContact ND2-OG1 3.34Å
281I80.3Confident76.5Confident19 Ų1958.4 Ų58.410%0.09733%0.334CS..PPolyproline II helixtrans-87.3142.6177.7-169.4177.2000111.3S279 Y323 V362 A364S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 2.85Å; I281-Y323 HydrophobicContact CD1-CD1 3.85Å; I281-Y323 HydrophobicContact CD1-CE1 4.08Å; I281-V362 HydrophobicContact CD1-CB 4.21Å; I281-V362 HydrophobicContact CD1-CG1 3.86Å; I281-A364 HydrophobicContact CD1-CB 4.25Å
282S76.2Confident77.4Confident42 Ų4262.3 Ų62.329%0.29434%0.34SS..PPolyproline II helixtrans-71.8164.6178.270.20000113.2S299 S374S282-S299 WeakPolarHBondContact CB-OG 3.43Å; S282-S299 PolarHBondContact OG-N 2.78Å; S282-S299 PolarHBondContact OG-OG 3.04Å; S282-S374 WeakPolarHBondContact O-CB 3.29Å
283K76.6Confident78.1Confident100 Ų10056.7 Ų56.744%0.43532%0.316SS..PPolyproline II helixtrans-71.1132.3172.3-174.5172.6-169.6156.80110.3E375 S376K283-E375 HydrophobicContact CB-CB 3.96Å; K283-E375 HydrophobicContact CD-CB 3.81Å; K283-E375 HydrophobicContact CD-CG 4.49Å; K283-E375 HydrophobicContact CG-CB 3.75Å; K283-E375 IonicContact NZ-OE2 2.7Å; K283-E375 PolarHBondContact NZ-OE2 3.08Å; K283-S376 WeakPolarHBondContact CE-O 3.32Å; K283-S376 PolarHBondContact NZ-O 2.67Å
284P83.4Confident78.9Confident4 Ų453.7 Ų53.73%0.02629%0.292CS..PPolyproline II helixtrans-72.2158.6177.830-36.7000113.2V296 S297 W298 V362 S374 E375 V377P284-V296 HydrophobicContact CB-CG1 3.97Å; P284-S297 CarbonylContact C-O 3.43Å; P284-S297 WeakPolarHBondContact CA-O 3.23Å; P284-S297 WeakPolarHBondContact CB-O 3.36Å; P284-W298 HydrophobicContact CB-CB 4.28Å; P284-V362 HydrophobicContact CB-CG2 3.92Å; P284-V362 HydrophobicContact CG-CG2 4.06Å; P284-S374 VanDerWaalsContact CD-OG 3.29Å; P284-S374 WeakPolarHBondContact CD-OG 3.45Å; P284-E375 WeakPolarHBondContact CD-O 3.34Å; P284-V377 HydrophobicContact CB-CG1 4.42Å; P284-V377 HydrophobicContact CG-CB 4.48Å; P284-V377 HydrophobicContact CG-CG1 3.9Å; P284-V377 WeakPolarHBondContact O-CB 3.43Å
285M78.9Confident79.7Confident136 Ų13653.2 Ų53.267%0.6729%0.291SS*.EExtended strand (participates in β ladder)trans-112.1157173.2-65.3-177.663.300110.7V296 S297M285-V296 CarbonylContact O-C 3.49Å; M285-V296 VanDerWaalsContact O-CA 3.3Å; M285-V296 WeakPolarHBondContact O-CA 3.42Å; M285-V296 WeakPolarHBondContact O-CG1 3.42Å; M285-S297 PolarHBondContact N-O 2.65Å; M285-S297 PolarHBondContact O-N 2.84Å
286V83.9Confident80.3Confident34 Ų3450.5 Ų50.521%0.20628%0.276CS..EExtended strand (participates in β ladder)trans-124.9142.7178.2-170.20000110.2I289 A294 V295 V296 V377 F379V286-I289 HydrophobicContact CG1-CD1 4.41Å; V286-I289 HydrophobicContact CG1-CG1 4.08Å; V286-A294 HydrophobicContact CG1-CB 4.05Å; V286-V295 CarbonylContact C-O 3.57Å; V286-V295 VanDerWaalsContact CA-O 3.29Å; V286-V295 WeakPolarHBondContact CA-O 3.2Å; V286-V295 WeakPolarHBondContact CG1-O 3.22Å; V286-V296 HydrophobicContact CG1-CG2 4.49Å; V286-V296 HydrophobicContact CG2-CG2 4.34Å; V286-V377 HydrophobicContact CG2-CB 4.4Å; V286-V377 HydrophobicContact CG2-CG1 3.45Å; V286-V377 VanDerWaalsContact CG2-CG1 3.45Å; V286-V377 HydrophobicContact CG2-CG2 4.03Å; V286-F379 HydrophobicContact CB-CD1 4.43Å; V286-F379 HydrophobicContact CG1-CB 4.2Å; V286-F379 HydrophobicContact CG1-CD1 3.81Å; V286-F379 HydrophobicContact CG1-CD2 4.47Å; V286-F379 HydrophobicContact CG1-CE1 4.25Å; V286-F379 HydrophobicContact CG1-CG 3.91Å; V286-F379 HydrophobicContact CG2-CD1 4.04Å
287S80Confident80.9Confident59 Ų5949.8 Ų49.841%0.41327%0.268SS..EExtended strand (participates in β ladder)trans-146.6170.3-178.357.40000111.3I289 V295S287-I289 PolarHBondContact O-N 2.57Å; S287-V295 PolarHBondContact N-O 2.93Å; S287-V295 PolarHBondContact O-N 3.05Å
288D81.5Confident81.3Confident102 Ų10249.6 Ų49.655%0.54527%0.265SS..  trans42.561.2-177.8-167.139.8000115Q290 A294 V295D288-Q290 PolarHBondContact O-N 3.05Å; D288-Q290 PolarHBondContact OD2-NE2 2.98Å; D288-A294 WeakPolarHBondContact O-CA 3.43Å; D288-V295 HydrophobicContact CB-CG2 4.28Å
289I84.5Confident81.5Confident62 Ų6252 Ų5232%0.31828%0.283SS..  trans-83.5116-177.9-57.2156.8000110V286 S287 A294 F379 T380V286-I289 HydrophobicContact CG1-CD1 4.41Å; V286-I289 HydrophobicContact CG1-CG1 4.08Å; S287-I289 PolarHBondContact O-N 2.57Å; I289-A294 HydrophobicContact CG1-CB 4.18Å; I289-F379 HydrophobicContact CD1-CB 3.77Å; I289-F379 HydrophobicContact CD1-CD2 4.21Å; I289-F379 HydrophobicContact CD1-CG 4.33Å; I289-F379 HydrophobicContact CG1-CB 4.37Å; I289-F379 HydrophobicContact CG1-CD2 3.95Å; I289-F379 HydrophobicContact CG1-CG 4.41Å; I289-F379 HydrophobicContact CG2-CD2 3.77Å; I289-F379 HydrophobicContact CG2-CE2 4.22Å; I289-T380 VanDerWaalsContact CG2-O 3.27Å; I289-T380 WeakPolarHBondContact CG2-O 3.32Å
290Q82.3Confident81.3Confident103 Ų10352.2 Ų52.248%0.48129%0.287SS..  trans-106.8-178.1179.9-54.6-173.51500111D288 R292 G293 T381 L382D288-Q290 PolarHBondContact O-N 3.05Å; D288-Q290 PolarHBondContact OD2-NE2 2.98Å; Q290-R292 VanDerWaalsContact C-N 3.25Å; Q290-R292 PolarHBondContact O-N 2.78Å; Q290-G293 PolarHBondContact N-O 2.83Å; Q290-T381 WeakPolarHBondContact O-CB 3.25Å; Q290-L382 PolarHBondContact O-N 3.07Å
291A79Confident81.3Confident23 Ų2349.3 Ų49.319%0.1927%0.272CS..SBendtrans-68.4-23.6175.300000113.3P354 L382 C384A291-P354 VanDerWaalsContact O-CA 3.25Å; A291-P354 WeakPolarHBondContact O-CA 3.48Å; A291-L382 WeakPolarHBondContact CA-O 3.37Å; A291-L382 HydrophobicContact CB-CB 4.15Å; A291-L382 WeakPolarHBondContact CB-O 3.35Å; A291-C384 HydrophobicContact CB-CB 4.3Å
292R82.1Confident80.7Confident124 Ų12452.6 Ų52.647%0.46829%0.293SS..SBendtrans-13818.7-177.6-58.1-168.6-179.4-124.62114.4Q290 E350 N351 L352 P354Q290-R292 VanDerWaalsContact C-N 3.25Å; Q290-R292 PolarHBondContact O-N 2.78Å; R292-E350 CarbonylContact O-C 3.57Å; R292-N351 PolarHBondContact O-N 2.99Å; R292-L352 WeakPolarHBondContact CA-O 3.47Å; R292-L352 WeakPolarHBondContact CB-O 3.48Å; R292-L352 WeakPolarHBondContact CG-O 3.32Å; R292-L352 PolarHBondContact O-N 3.27Å; R292-P354 HydrophobicContact CG-CG 4.15Å
293G83.5Confident80Confident8 Ų858.5 Ų58.58%0.08231%0.309CS..EExtended strand (participates in β ladder)trans-163.5166.4179.700000114.3Q290 L349Q290-G293 PolarHBondContact N-O 2.83Å; G293-L349 CarbonylContact C-O 3.52Å; G293-L349 WeakPolarHBondContact CA-O 3.4Å
294A84.6Confident79.1Confident2 Ų258.5 Ų58.52%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-164.1156.1173.800000112.1V286 D288 I289 L349 L352 F379V286-A294 HydrophobicContact CG1-CB 4.05Å; D288-A294 WeakPolarHBondContact O-CA 3.43Å; I289-A294 HydrophobicContact CG1-CB 4.18Å; A294-L349 PolarHBondContact N-O 3.38Å; A294-L349 WeakPolarHBondContact O-CA 3.05Å; A294-L349 WeakPolarHBondContact O-CB 3.25Å; A294-L349 PolarHBondContact O-N 3.44Å; A294-L352 HydrophobicContact CB-CD1 4.24Å; A294-F379 HydrophobicContact CB-CD2 4.07Å; A294-F379 HydrophobicContact CB-CE1 4.29Å; A294-F379 HydrophobicContact CB-CE2 3.4Å; A294-F379 VanDerWaalsContact CB-CE2 3.4Å; A294-F379 HydrophobicContact CB-CZ 3.53Å
295V85.8Confident77.6Confident38 Ų3867.9 Ų67.923%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-110.9140.7179.6-177.20000111.4V286 S287 D288 T348V286-V295 CarbonylContact C-O 3.57Å; V286-V295 VanDerWaalsContact CA-O 3.29Å; V286-V295 WeakPolarHBondContact CA-O 3.2Å; V286-V295 WeakPolarHBondContact CG1-O 3.22Å; S287-V295 PolarHBondContact N-O 2.93Å; S287-V295 PolarHBondContact O-N 3.05Å; D288-V295 HydrophobicContact CB-CG2 4.28Å; V295-T348 HydrophobicContact CG2-CG2 4.17Å
296V85.3Confident76.2Confident0 Ų065.1 Ų65.10%037%0.369CS..EExtended strand (participates in β ladder)trans-127.8142.8-173.3-172.10000111P284 M285 V286 S346 A347 L349 V360P284-V296 HydrophobicContact CB-CG1 3.97Å; M285-V296 CarbonylContact O-C 3.49Å; M285-V296 VanDerWaalsContact O-CA 3.3Å; M285-V296 WeakPolarHBondContact O-CA 3.42Å; M285-V296 WeakPolarHBondContact O-CG1 3.42Å; V286-V296 HydrophobicContact CG1-CG2 4.49Å; V286-V296 HydrophobicContact CG2-CG2 4.34Å; V296-S346 CarbonylContact O-C 3.51Å; V296-S346 WeakPolarHBondContact O-CA 3.06Å; V296-S346 WeakPolarHBondContact O-CB 3.23Å; V296-A347 PolarHBondContact N-O 3.13Å; V296-A347 PolarHBondContact O-N 2.62Å; V296-L349 HydrophobicContact CG2-CD1 3.91Å; V296-L349 HydrophobicContact CG2-CG 4.12Å; V296-V360 HydrophobicContact CG1-CG1 4.08Å; V296-V360 HydrophobicContact CG2-CG1 4.24Å; V296-V360 HydrophobicContact CG2-CG2 4.33Å
297S83.8Confident74Confident44 Ų4473 Ų7331%0.30840%0.404SS..EExtended strand (participates in β ladder)trans-147.4158.6-179.3580000114.3P284 M285 L345P284-S297 CarbonylContact C-O 3.43Å; P284-S297 WeakPolarHBondContact CA-O 3.23Å; P284-S297 WeakPolarHBondContact CB-O 3.36Å; M285-S297 PolarHBondContact N-O 2.65Å; M285-S297 PolarHBondContact O-N 2.84Å; S297-L345 CarbonylContact C-O 3.6Å; S297-L345 VanDerWaalsContact CA-O 3.23Å; S297-L345 WeakPolarHBondContact CA-O 3.42Å; S297-L345 WeakPolarHBondContact CB-O 3.2Å
298W84.7Confident72Confident20 Ų2077 Ų778%0.07642%0.421CS..  trans-153.3-171.2-174.456.795.5000112.8P284 Y323 V325 V342 E344 L345 S346 A347 V362P284-W298 HydrophobicContact CB-CB 4.28Å; W298-Y323 AromaticContact CD1-CD1 3.91Å; W298-Y323 AromaticContact CE2-CG 3.92Å; W298-Y323 HydrophobicContact CZ2-CD2 4.3Å; W298-Y323 HydrophobicContact CZ2-CG 4.1Å; W298-Y323 AromaticContact NE1-CD1 3.32Å; W298-Y323 VanDerWaalsContact NE1-CD1 3.32Å; W298-Y323 AromaticContact NE1-CD2 3.53Å; W298-Y323 AromaticContact NE1-CE1 3.77Å; W298-Y323 AromaticContact NE1-CE2 3.98Å; W298-Y323 AromaticContact NE1-CG 3.2Å; W298-V325 HydrophobicContact CE3-CG2 4.49Å; W298-V325 HydrophobicContact CH2-CG2 3.27Å; W298-V325 HydrophobicContact CZ2-CG2 4.04Å; W298-V325 HydrophobicContact CZ3-CG2 3.53Å; W298-V342 HydrophobicContact CH2-CG2 3.75Å; W298-V342 HydrophobicContact CZ2-CG2 3.73Å; W298-E344 WeakPolarHBondContact CZ2-O 3.43Å; W298-L345 PolarHBondContact N-O 2.92Å; W298-S346 VanDerWaalsContact CH2-C 3.49Å; W298-A347 HydrophobicContact CH2-CB 4.14Å; W298-A347 HydrophobicContact CZ3-CB 4.34Å; W298-V362 HydrophobicContact CD2-CB 4.31Å; W298-V362 HydrophobicContact CD2-CG1 3.78Å; W298-V362 HydrophobicContact CD2-CG2 3.87Å; W298-V362 HydrophobicContact CE3-CG1 4.27Å; W298-V362 HydrophobicContact CE3-CG2 3.62Å; W298-V362 HydrophobicContact CG-CB 4.42Å; W298-V362 HydrophobicContact CG-CG1 4.03Å; W298-V362 HydrophobicContact CG-CG2 4.3Å; W298-V362 HydrophobicContact CZ2-CG1 4.14Å; W298-V362 HydrophobicContact CZ3-CG2 4.11Å
299S79.5Confident70.1Confident54 Ų5479.2 Ų79.238%0.37843%0.432SS..  trans-132.4159.5175.473.30000113S282S282-S299 WeakPolarHBondContact CB-OG 3.43Å; S282-S299 PolarHBondContact OG-N 2.78Å; S282-S299 PolarHBondContact OG-OG 3.04Å
300A74.4Confident67.9Low46 Ų4680.6 Ų80.638%0.3845%0.453SS..  trans-70.4159.8-177.800000114Y323A300-Y323 WeakPolarHBondContact CB-OH 3.47Å
301P76.9Confident66Low15 Ų1582.6 Ų82.610%0.09747%0.472CS..  trans-76.8154.4-175.8-12.229.2000114.5L277 N280 A364L277-P301 WeakPolarHBondContact O-CB 3.2Å; N280-P301 WeakPolarHBondContact O-CA 3.15Å; P301-A364 HydrophobicContact CG-CB 4.04Å
302T67.9Low64.5Low89 Ų8990.7 Ų90.755%0.54651%0.506SS..  trans-128.7154.5-176.455.20000113.9N280N280-T302 PolarHBondContact ND2-O 2.84Å; N280-T302 PolarHBondContact ND2-OG1 3.34Å
303R60.8Low62.5Low165 Ų16592.6 Ų92.662%0.62353%0.526SS*.PPolyproline II helixtrans-80.5137.1-177.3-154.4174.2-167.4160.83.9110.3L277 T315L277-R303 HydrophobicContact CD1-CB 4.28Å; R303-T315 PolarHBondContact NH1-O 2.86Å; R303-T315 VanDerWaalsContact NH1-O 3.12Å
304P58.7Low60.8Low101 Ų10198.9 Ų98.966%0.65656%0.557SS**PPolyproline II helixtrans-74.5149.7179.630.1-35.5000112.7
305E50.5Low59.2Low200 Ų200103.3 Ų103.394%0.93558%0.584SS**PPolyproline II helixtrans-100.5132.5-176.2-60.9-175.714400113
306G49.5Very low57.8Low78 Ų78106.8 Ų106.880%0.80461%0.61SS**  trans110.182.2148.100000119.5
307E39Very low56.6Low200 Ų200111.9 Ų111.994%0.93564%0.637SS**  trans-149.3132.9141.4-132.8174.2-147.500109.9
308N36.9Very low55.5Low144 Ų144111.7 Ų111.777%0.7764%0.635SS**  trans-106.9148.4-173.7-76.2-28.1000109.8
309N41.9Very low54.4Low147 Ų147120.4 Ų120.479%0.78668%0.676SS**  cis-161.3172.22.8-125.7-25.2000110.9
310A37.8Very low54Low91 Ų91122.2 Ų122.275%0.75268%0.681SS**  trans7489.3165.700000119
311V42.3Very low54Low146 Ų146122.1 Ų122.189%0.88568%0.675SS**  -157.7148.1113.4146.10000106.8
312E49.2Very low54.1Low193 Ų193122.7 Ų122.790%0.90268%0.679SS**  trans-87.7125.1177-62176.3140.900110.8
313D40.3Very low54.8Low164 Ų164119 Ų11988%0.87766%0.655SS**  trans-158.3160.8153.1-148.1-12.6000111
314D47.7Very low55.9Low140 Ų140113.6 Ų113.675%0.74964%0.637SS**  trans-99.4134.1-163.7-172.214.1000114.2
315T50.1Low57.2Low95 Ų95108.8 Ų108.858%0.58361%0.605SS**  trans-159.4116.516730.70000112.8R303R303-T315 PolarHBondContact NH1-O 2.86Å; R303-T315 VanDerWaalsContact NH1-O 3.12Å
316S55.7Low58.7Low110 Ų11099.5 Ų99.577%0.76956%0.563SS**  trans-85.5176.8173.958.20000113.7
317L60.4Low60.5Low107 Ų10797.2 Ų97.256%0.5653%0.531SS*.  trans-73.8149.5172.5-67.8171000111.2L277L277-L317 HydrophobicContact CD1-CD2 4.11Å; L277-L317 HydrophobicContact CD2-CD2 3.68Å
318P61.8Low62.6Low41 Ų4187.8 Ų87.827%0.26649%0.487SS..  trans-69.4143.2173.5-12.927.5000112.2L274L274-P318 HydrophobicContact CD1-CG 3.76Å
319E60.2Low64.8Low202 Ų20284 Ų8494%0.94447%0.466SS*.SBendtrans-80.8-18.1-179.6-59.9-171.913600113.9
320D70.8Confident66.7Low92 Ų9282.6 Ų82.649%0.49246%0.459SS..  trans-110.789.9-170.4-160.3-4.5000112.4C366D320-C366 PolarHBondContact O-SG 3.37Å
321L76.4Confident68.4Low45 Ų4579.5 Ų79.524%0.23644%0.436CS..  trans-117.5145.8-178.1-81160.6000111.6L278 H343 C366L278-L321 HydrophobicContact CD2-CD2 3.46Å; L278-L321 VanDerWaalsContact CD2-CD2 3.46Å; L321-H343 PolarHBondContact O-ND1 3.35Å; L321-C366 HydrophobicContact CD2-CB 4.14Å
322S78.1Confident69.8Low27 Ų2777 Ų7719%0.18941%0.413CS..EExtended strand (participates in β ladder)trans-142.8165.6174.356.90000111.5A364 A365S322-A364 CarbonylContact O-C 3.55Å; S322-A364 WeakPolarHBondContact O-CA 3.19Å; S322-A365 PolarHBondContact N-O 2.6Å; S322-A365 PolarHBondContact O-N 2.68Å; S322-A365 PolarHBondContact OG-O 2.75Å
323Y82.4Confident70.9Confident10 Ų1075.2 Ų75.24%0.03941%0.41CS..EExtended strand (participates in β ladder)trans-137.2133.5-173.7-55-81.1000111.7I281 W298 A300 S341 V342 E344 L345 V362 Q363 A364I281-Y323 HydrophobicContact CD1-CD1 3.85Å; I281-Y323 HydrophobicContact CD1-CE1 4.08Å; W298-Y323 AromaticContact CD1-CD1 3.91Å; W298-Y323 AromaticContact CE2-CG 3.92Å; W298-Y323 HydrophobicContact CZ2-CD2 4.3Å; W298-Y323 HydrophobicContact CZ2-CG 4.1Å; W298-Y323 AromaticContact NE1-CD1 3.32Å; W298-Y323 VanDerWaalsContact NE1-CD1 3.32Å; W298-Y323 AromaticContact NE1-CD2 3.53Å; W298-Y323 AromaticContact NE1-CE1 3.77Å; W298-Y323 AromaticContact NE1-CE2 3.98Å; W298-Y323 AromaticContact NE1-CG 3.2Å; A300-Y323 WeakPolarHBondContact CB-OH 3.47Å; Y323-S341 CarbonylContact O-C 3.44Å; Y323-S341 WeakPolarHBondContact O-CA 3.35Å; Y323-V342 PolarHBondContact N-O 3.39Å; Y323-V342 PolarHBondContact O-N 2.96Å; Y323-E344 WeakPolarHBondContact CD2-O 3.13Å; Y323-L345 HydrophobicContact CD2-CD2 4.41Å; Y323-L345 HydrophobicContact CE1-CD2 4.39Å; Y323-L345 HydrophobicContact CE2-CD2 3.69Å; Y323-V362 HydrophobicContact CD1-CG1 4.4Å; Y323-Q363 CarbonylContact C-O 3.57Å; Y323-Q363 VanDerWaalsContact CA-O 3.32Å; Y323-Q363 WeakPolarHBondContact CA-O 3.06Å; Y323-A364 HydrophobicContact CD1-CB 3.93Å; Y323-A364 HydrophobicContact CE1-CB 3.91Å
324E83.8Confident72.4Confident52 Ų5268.1 Ų68.124%0.24338%0.376CS..EExtended strand (participates in β ladder)trans-102.4124.8170.3-56.9-155.9156.600110.7N338 S341 V362 Q363E324-N338 PolarHBondContact OE2-ND2 2.92Å; E324-S341 PolarHBondContact OE1-OG 2.84Å; E324-V362 CarbonylContact O-C 3.49Å; E324-V362 VanDerWaalsContact O-CA 3.25Å; E324-V362 WeakPolarHBondContact O-CA 3.29Å; E324-Q363 PolarHBondContact N-O 2.97Å; E324-Q363 PolarHBondContact O-N 3.2Å
325V85.9Confident73.9Confident0 Ų069.5 Ų69.50%038%0.375CS..EExtended strand (participates in β ladder)trans-98.4137.8175.5-173.70000108.9W298 V339 V342 A347 V360 V362W298-V325 HydrophobicContact CE3-CG2 4.49Å; W298-V325 HydrophobicContact CH2-CG2 3.27Å; W298-V325 HydrophobicContact CZ2-CG2 4.04Å; W298-V325 HydrophobicContact CZ3-CG2 3.53Å; V325-V339 HydrophobicContact CB-CB 4.44Å; V325-V339 PolarHBondContact O-N 3.03Å; V325-V342 HydrophobicContact CG2-CG2 4.48Å; V325-A347 HydrophobicContact CG2-CB 4.01Å; V325-V360 HydrophobicContact CG1-CG1 3.69Å; V325-V362 HydrophobicContact CG1-CG2 4.38Å; V325-V362 HydrophobicContact CG2-CG1 4.44Å; V325-V362 HydrophobicContact CG2-CG2 4.2Å
326A82.8Confident75.5Confident5 Ų566.1 Ų66.14%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-142.7140.9178.300000112.5Y336 Q337 N338 V360 R361A326-Y336 HydrophobicContact CB-CD1 4.34Å; A326-Y336 WeakPolarHBondContact O-CD1 3.46Å; A326-Q337 CarbonylContact C-O 3.58Å; A326-Q337 VanDerWaalsContact CA-O 3.24Å; A326-Q337 WeakPolarHBondContact CA-O 3.29Å; A326-N338 HydrophobicContact CB-CB 4.46Å; A326-N338 WeakPolarHBondContact CB-OD1 3.42Å; A326-V360 CarbonylContact O-C 3.46Å; A326-V360 WeakPolarHBondContact O-CA 3.31Å; A326-V360 WeakPolarHBondContact O-CG1 3.48Å; A326-R361 HydrophobicContact CB-CG 4.47Å; A326-R361 PolarHBondContact N-O 3.19Å; A326-R361 PolarHBondContact O-N 2.94Å
327F86.6Confident76.6Confident31 Ų3166.9 Ų66.914%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-125.2153.2-178.870.7-100.6000115.1Y336 Q337 V339 L349 Y358 H359 V360F327-Y336 CarbonylContact O-C 3.38Å; F327-Y336 VanDerWaalsContact O-CA 3.27Å; F327-Y336 WeakPolarHBondContact O-CA 3.23Å; F327-Q337 HydrophobicContact CE2-CB 4.43Å; F327-Q337 HydrophobicContact CZ-CB 4.45Å; F327-Q337 PolarHBondContact N-O 3.48Å; F327-Q337 PolarHBondContact O-N 2.91Å; F327-V339 HydrophobicContact CD1-CG2 3.67Å; F327-V339 HydrophobicContact CE1-CG2 3.65Å; F327-L349 HydrophobicContact CB-CD1 4.45Å; F327-L349 HydrophobicContact CD1-CD1 4.28Å; F327-L349 HydrophobicContact CD1-CD2 3.82Å; F327-L349 HydrophobicContact CE1-CD2 4.24Å; F327-Y358 AromaticContact CD2-CD1 3.73Å; F327-Y358 HydrophobicContact CD2-CD1 3.73Å; F327-Y358 AromaticContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CE2-CD1 4.25Å; F327-Y358 AromaticContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CG-CD1 4.43Å; F327-H359 CarbonylContact C-O 3.49Å; F327-H359 WeakPolarHBondContact CA-O 3.38Å; F327-H359 WeakPolarHBondContact CB-O 3.21Å; F327-V360 HydrophobicContact CB-CG1 4.37Å; F327-V360 HydrophobicContact CB-CG2 4.02Å
328S83.1Confident77.4Confident2 Ų266.5 Ų66.51%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-138.3131.9-178168.50000111N330 G331 H359S328-N330 PolarHBondContact OG-N 2.82Å; S328-N330 VanDerWaalsContact OG-N 3.11Å; S328-G331 PolarHBondContact OG-O 2.82Å; S328-H359 PolarHBondContact N-O 2.96Å; S328-H359 PolarHBondContact O-N 3.13Å
329I84.3Confident77.9Confident63 Ų6366.3 Ų66.332%0.32334%0.34SS..SBendtrans-90.5-2.316860.2173.2000113.3T356 D357 Y358I329-T356 HydrophobicContact CB-CG2 4.44Å; I329-T356 HydrophobicContact CG2-CG2 4.06Å; I329-D357 WeakPolarHBondContact CA-O 3.41Å; I329-Y358 HydrophobicContact CG2-CD1 3.48Å; I329-Y358 VanDerWaalsContact CG2-CD1 3.48Å; I329-Y358 HydrophobicContact CG2-CD2 4.17Å; I329-Y358 HydrophobicContact CG2-CE1 3.16Å; I329-Y358 HydrophobicContact CG2-CE2 3.91Å; I329-Y358 HydrophobicContact CG2-CG 3.97Å
330N80Confident78.3Confident118 Ų11863.3 Ų63.363%0.63133%0.33SS*.SBendtrans-107.735.8-171.2-67-34.5000111.8S328 G334S328-N330 PolarHBondContact OG-N 2.82Å; S328-N330 VanDerWaalsContact OG-N 3.11Å; N330-G334 WeakPolarHBondContact O-CA 3.47Å
331G74.7Confident78.4Confident27 Ų2762.1 Ų62.128%0.27833%0.329SS..  trans81.6175.9-176.800000114.7S328 D333 G334 H359S328-G331 PolarHBondContact OG-O 2.82Å; G331-D333 VanDerWaalsContact C-N 3.26Å; G331-D333 PolarHBondContact O-N 2.87Å; G331-G334 PolarHBondContact O-N 2.78Å; G331-G334 VanDerWaalsContact O-N 3.12Å; G331-H359 VanDerWaalsContact C-CD2 3.47Å; G331-H359 WeakPolarHBondContact CA-NE2 3.41Å
332K71Confident78.5Confident92 Ų9261.9 Ų61.940%0.433%0.329SS..THydrogen-bonded Turntrans-57.4-33.9-179.6174.8165-171.9179.20113.5Y336 E375 S376K332-Y336 WeakPolarHBondContact O-CE2 3.24Å; K332-Y336 VanDerWaalsContact O-CZ 3.32Å; K332-Y336 PolarHBondContact O-OH 2.94Å; K332-E375 IonicContact NZ-OE1 2.66Å; K332-E375 PolarHBondContact NZ-OE1 3.3Å; K332-S376 VanDerWaalsContact CD-OG 3.31Å; K332-S376 WeakPolarHBondContact CD-OG 3.2Å; K332-S376 VanDerWaalsContact CE-OG 3.29Å; K332-S376 WeakPolarHBondContact CE-OG 3.43Å; K332-S376 VanDerWaalsContact CG-OG 3.31Å; K332-S376 WeakPolarHBondContact CG-OG 3.48Å
333D73.3Confident78.2Confident156 Ų15666.8 Ų66.883%0.83435%0.349SS*.THydrogen-bonded Turntrans-103.39.2-178.6-50.8-66.2000112.6G331G331-D333 VanDerWaalsContact C-N 3.26Å; G331-D333 PolarHBondContact O-N 2.87Å
334G72Confident78.1Confident16 Ų1672.9 Ų72.917%0.16538%0.378CS..SBendtrans-69.9168.3177.900000113.5N330 G331 Y336N330-G334 WeakPolarHBondContact O-CA 3.47Å; G331-G334 PolarHBondContact O-N 2.78Å; G331-G334 VanDerWaalsContact O-N 3.12Å; G334-Y336 WeakPolarHBondContact O-CD2 3.19Å; G334-Y336 WeakPolarHBondContact O-CE2 3.32Å; G334-Y336 PolarHBondContact O-N 3Å
335K78.3Confident78Confident168 Ų16873.9 Ų73.973%0.7339%0.385SS*.  trans-69.8103.1174.1-175173.9-178.8175.40110.2
336Y83.1Confident77.7Confident24 Ų2476.3 Ų76.39%0.09440%0.402CS..  trans-65.3145.9171.5-68.5-99000111.6A326 F327 K332 G334 H359 R361 S376A326-Y336 HydrophobicContact CB-CD1 4.34Å; A326-Y336 WeakPolarHBondContact O-CD1 3.46Å; F327-Y336 CarbonylContact O-C 3.38Å; F327-Y336 VanDerWaalsContact O-CA 3.27Å; F327-Y336 WeakPolarHBondContact O-CA 3.23Å; K332-Y336 WeakPolarHBondContact O-CE2 3.24Å; K332-Y336 VanDerWaalsContact O-CZ 3.32Å; K332-Y336 PolarHBondContact O-OH 2.94Å; G334-Y336 WeakPolarHBondContact O-CD2 3.19Å; G334-Y336 WeakPolarHBondContact O-CE2 3.32Å; G334-Y336 PolarHBondContact O-N 3Å; Y336-H359 HydrophobicContact CE1-CB 4.29Å; Y336-R361 HydrophobicContact CD1-CG 4.07Å; Y336-R361 HydrophobicContact CE1-CB 4.48Å; Y336-R361 HydrophobicContact CE1-CG 3.95Å; Y336-S376 WeakPolarHBondContact OH-CB 3.48Å
337Q79.4Confident77.6Confident127 Ų12776.8 Ų76.859%0.59341%0.405SS*.EExtended strand (participates in β ladder)trans-104.2123.7167.7-63.8-179.5-2000107.4A326 F327A326-Q337 CarbonylContact C-O 3.58Å; A326-Q337 VanDerWaalsContact CA-O 3.24Å; A326-Q337 WeakPolarHBondContact CA-O 3.29Å; F327-Q337 HydrophobicContact CE2-CB 4.43Å; F327-Q337 HydrophobicContact CZ-CB 4.45Å; F327-Q337 PolarHBondContact N-O 3.48Å; F327-Q337 PolarHBondContact O-N 2.91Å
338N77.9Confident77.4Confident98 Ų9879.2 Ų79.252%0.52442%0.423SS..EExtended strand (participates in β ladder)trans-74.5140175.7-69.725.8000109.8E324 A326E324-N338 PolarHBondContact OE2-ND2 2.92Å; A326-N338 HydrophobicContact CB-CB 4.46Å; A326-N338 WeakPolarHBondContact CB-OD1 3.42Å
339V72.6Confident77.4Confident37 Ų3779.3 Ų79.322%0.22442%0.423CS..PPolyproline II helixtrans-95.8155.7162.8-177.20000107V325 F327 L349V325-V339 HydrophobicContact CB-CB 4.44Å; V325-V339 PolarHBondContact O-N 3.03Å; F327-V339 HydrophobicContact CD1-CG2 3.67Å; F327-V339 HydrophobicContact CE1-CG2 3.65Å; V339-L349 HydrophobicContact CG2-CD2 3.73Å
340N68.6Low77.3Confident139 Ų13983 Ų8374%0.74344%0.439SS*.PPolyproline II helixtrans-49.4140.4-176.1-61-10.2000112.6
341S72.4Confident77.2Confident68 Ų6884.5 Ų84.548%0.47645%0.447SS..PPolyproline II helixtrans-62.1134.3176-32.50000110.5Y323 E324Y323-S341 CarbonylContact O-C 3.44Å; Y323-S341 WeakPolarHBondContact O-CA 3.35Å; E324-S341 PolarHBondContact OE1-OG 2.84Å
342V77.5Confident77.6Confident39 Ų3983.3 Ų83.324%0.23643%0.434CS..BIsolated β-bridgetrans-128150.7-177.6-67.50000111.1W298 Y323 V325W298-V342 HydrophobicContact CH2-CG2 3.75Å; W298-V342 HydrophobicContact CZ2-CG2 3.73Å; Y323-V342 PolarHBondContact N-O 3.39Å; Y323-V342 PolarHBondContact O-N 2.96Å; V325-V342 HydrophobicContact CG2-CG2 4.48Å
343H73.3Confident78Confident130 Ų13086.5 Ų86.560%0.60244%0.444SS*.SBendtrans-93-15.6173.2-63.8-92.7000112.7L321L321-H343 PolarHBondContact O-ND1 3.35Å
344E79.1Confident78.5Confident138 Ų13879.9 Ų79.965%0.64541%0.409SS*.SBendtrans-76.6166.7174-64.9-175.2-171.900112.1W298 Y323 S346W298-E344 WeakPolarHBondContact CZ2-O 3.43Å; Y323-E344 WeakPolarHBondContact CD2-O 3.13Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.05Å
345L81.1Confident78.9Confident74 Ų7481.5 Ų81.539%0.38742%0.421SS..SBendtrans-91.919.4178.7-66.8175.3000113.4S297 W298 Y323S297-L345 CarbonylContact C-O 3.6Å; S297-L345 VanDerWaalsContact CA-O 3.23Å; S297-L345 WeakPolarHBondContact CA-O 3.42Å; S297-L345 WeakPolarHBondContact CB-O 3.2Å; W298-L345 PolarHBondContact N-O 2.92Å; Y323-L345 HydrophobicContact CD2-CD2 4.41Å; Y323-L345 HydrophobicContact CE1-CD2 4.39Å; Y323-L345 HydrophobicContact CE2-CD2 3.69Å
346S79.9Confident79.1Confident51 Ų5175.2 Ų75.236%0.35740%0.397SS..EExtended strand (participates in β ladder)trans-155.2155.9-179.950.20000113.7V296 W298 E344V296-S346 CarbonylContact O-C 3.51Å; V296-S346 WeakPolarHBondContact O-CA 3.06Å; V296-S346 WeakPolarHBondContact O-CB 3.23Å; W298-S346 VanDerWaalsContact CH2-C 3.49Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.05Å
347A80.9Confident79.2Confident14 Ų1478.5 Ų78.512%0.11642%0.416CS..EExtended strand (participates in β ladder)trans-152.3152.3175.400000112.5V296 W298 V325V296-A347 PolarHBondContact N-O 3.13Å; V296-A347 PolarHBondContact O-N 2.62Å; W298-A347 HydrophobicContact CH2-CB 4.14Å; W298-A347 HydrophobicContact CZ3-CB 4.34Å; V325-A347 HydrophobicContact CG2-CB 4.01Å
348T83.9Confident79.5Confident83 Ų8373 Ų7351%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-102.4141.6176.7-56.10000111.5V295 E350V295-T348 HydrophobicContact CG2-CG2 4.17Å; T348-E350 HydrophobicContact CG2-CG 4.34Å
349L82.9Confident79.8Confident4 Ų470.1 Ų70.12%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-109.1132.7174.3-52.2-178.7000109.6G293 A294 V296 F327 V339 L352 V360 F379G293-L349 CarbonylContact C-O 3.52Å; G293-L349 WeakPolarHBondContact CA-O 3.4Å; A294-L349 PolarHBondContact N-O 3.38Å; A294-L349 WeakPolarHBondContact O-CA 3.05Å; A294-L349 WeakPolarHBondContact O-CB 3.25Å; A294-L349 PolarHBondContact O-N 3.44Å; V296-L349 HydrophobicContact CG2-CD1 3.91Å; V296-L349 HydrophobicContact CG2-CG 4.12Å; F327-L349 HydrophobicContact CB-CD1 4.45Å; F327-L349 HydrophobicContact CD1-CD1 4.28Å; F327-L349 HydrophobicContact CD1-CD2 3.82Å; F327-L349 HydrophobicContact CE1-CD2 4.24Å; V339-L349 HydrophobicContact CG2-CD2 3.73Å; L349-L352 HydrophobicContact CB-CD1 4.31Å; L349-L352 HydrophobicContact CB-CD2 4.18Å; L349-V360 HydrophobicContact CD1-CG2 3.99Å; L349-F379 HydrophobicContact CD1-CE1 4.1Å; L349-F379 HydrophobicContact CD1-CZ 4.07Å
350E81Confident80.4Confident140 Ų14068.4 Ų68.465%0.65436%0.363SS*.EExtended strand (participates in β ladder)trans-128.9172.7-179.9-64.3-172.5174.400111.8R292 T348 L352R292-E350 CarbonylContact O-C 3.57Å; T348-E350 HydrophobicContact CG2-CG 4.34Å; E350-L352 PolarHBondContact O-N 2.68Å; E350-L352 VanDerWaalsContact O-N 3.17Å
351N78.8Confident81.2Confident149 Ų14965.5 Ų65.580%0.79734%0.342SS*.SBendtrans56.128.1179.3-64.8-76.7000114.3R292R292-N351 PolarHBondContact O-N 2.99Å
352L82.6Confident81.8Confident2 Ų262.3 Ų62.31%0.0132%0.319CS..PPolyproline II helixtrans-67.5154.8175.4-49.6-175.7000110.8R292 A294 L349 E350 Y358 F379 T381R292-L352 WeakPolarHBondContact CA-O 3.47Å; R292-L352 WeakPolarHBondContact CB-O 3.48Å; R292-L352 WeakPolarHBondContact CG-O 3.32Å; R292-L352 PolarHBondContact O-N 3.27Å; A294-L352 HydrophobicContact CB-CD1 4.24Å; L349-L352 HydrophobicContact CB-CD1 4.31Å; L349-L352 HydrophobicContact CB-CD2 4.18Å; E350-L352 PolarHBondContact O-N 2.68Å; E350-L352 VanDerWaalsContact O-N 3.17Å; L352-Y358 WeakPolarHBondContact CA-OH 3.35Å; L352-Y358 HydrophobicContact CB-CE2 3.92Å; L352-Y358 HydrophobicContact CD1-CE2 4.5Å; L352-Y358 HydrophobicContact CD2-CD1 4.17Å; L352-Y358 HydrophobicContact CD2-CE1 3.61Å; L352-Y358 HydrophobicContact CD2-CE2 4.42Å; L352-F379 HydrophobicContact CD1-CE2 3.76Å; L352-F379 HydrophobicContact CD1-CZ 3.68Å; L352-T381 HydrophobicContact CB-CG2 3.8Å; L352-T381 HydrophobicContact CD1-CG2 3.8Å; L352-T381 HydrophobicContact CG-CG2 4.48Å
353R80.2Confident82.2Confident160 Ų16062.4 Ų62.460%0.60432%0.317SS*.PPolyproline II helixtrans-77.3136.8173.4-67.7-179.5177.2-173.2-1.5109.6T356 Y358 T381R353-T356 HydrophobicContact CB-CG2 4.27Å; R353-T356 VanDerWaalsContact CB-OG1 3.31Å; R353-T356 WeakPolarHBondContact CB-OG1 3.49Å; R353-T356 WeakPolarHBondContact O-CB 3.37Å; R353-Y358 PolarHBondContact N-OH 2.75Å; R353-T381 WeakPolarHBondContact O-CB 3.41Å; R353-T381 PolarHBondContact O-OG1 2.67Å
354P82.3Confident82.5Confident16 Ų1656.2 Ų56.210%0.10429%0.288CS..THydrogen-bonded Turntrans-58151.4170-25.635.2000113A291 R292 T356 L382 N412A291-P354 VanDerWaalsContact O-CA 3.25Å; A291-P354 WeakPolarHBondContact O-CA 3.48Å; R292-P354 HydrophobicContact CG-CG 4.15Å; P354-T356 PolarHBondContact O-N 2.84Å; P354-T356 VanDerWaalsContact O-N 3.14Å; P354-T356 PolarHBondContact O-OG1 2.96Å; P354-L382 CarbonylContact C-O 3.52Å; P354-L382 VanDerWaalsContact CA-O 3.24Å; P354-L382 WeakPolarHBondContact CA-O 3.49Å; P354-L382 WeakPolarHBondContact CB-O 3.44Å; P354-N412 HydrophobicContact CB-CB 4.43Å; P354-N412 HydrophobicContact CG-CB 4.43Å
355A81.4Confident82.5Confident50 Ų5050 Ų5041%0.41326%0.26SS..THydrogen-bonded Turntrans45.543.2176.800000114.6T381 L382A355-T381 WeakPolarHBondContact CA-O 3.27Å; A355-T381 PolarHBondContact N-O 2.85Å; A355-T381 PolarHBondContact N-OG1 2.85Å; A355-T381 VanDerWaalsContact N-OG1 3.11Å; A355-L382 PolarHBondContact N-O 2.89Å
356T81.9Confident82.3Confident36 Ų3646.5 Ų46.522%0.22124%0.242CC..  trans-128.7140.1-174-61.10000110.6I329 R353 P354 Y358 T380 T381I329-T356 HydrophobicContact CB-CG2 4.44Å; I329-T356 HydrophobicContact CG2-CG2 4.06Å; R353-T356 HydrophobicContact CB-CG2 4.27Å; R353-T356 VanDerWaalsContact CB-OG1 3.31Å; R353-T356 WeakPolarHBondContact CB-OG1 3.49Å; R353-T356 WeakPolarHBondContact O-CB 3.37Å; P354-T356 PolarHBondContact O-N 2.84Å; P354-T356 VanDerWaalsContact O-N 3.14Å; P354-T356 PolarHBondContact O-OG1 2.96Å; T356-Y358 HydrophobicContact CG2-CD2 4.27Å; T356-Y358 HydrophobicContact CG2-CE2 3.75Å; T356-Y358 WeakPolarHBondContact O-CD2 3.15Å; T356-T380 WeakPolarHBondContact O-CA 3.49Å; T356-T381 PolarHBondContact N-OG1 3.17Å; T356-T381 PolarHBondContact O-N 2.86Å; T356-T381 PolarHBondContact O-OG1 2.83Å
357D85.2Confident82Confident94 Ų9450.6 Ų50.650%0.50326%0.26SS..EExtended strand (participates in β ladder)trans-82.2137.3177.3-61.6-41.3000111.9I329 T380I329-D357 WeakPolarHBondContact CA-O 3.41Å; D357-T380 WeakPolarHBondContact OD1-CB 3.31Å; D357-T380 WeakPolarHBondContact OD1-CG2 3.23Å; D357-T380 PolarHBondContact OD1-OG1 3.42Å
358Y84.9Confident81.5Confident10 Ų1055.4 Ų55.44%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-131.6134.5-179.4-78.2-96.3000110.6F327 I329 L352 R353 T356 S378 F379 T381F327-Y358 AromaticContact CD2-CD1 3.73Å; F327-Y358 HydrophobicContact CD2-CD1 3.73Å; F327-Y358 AromaticContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CE2-CD1 4.25Å; F327-Y358 AromaticContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CG-CD1 4.43Å; I329-Y358 HydrophobicContact CG2-CD1 3.48Å; I329-Y358 VanDerWaalsContact CG2-CD1 3.48Å; I329-Y358 HydrophobicContact CG2-CD2 4.17Å; I329-Y358 HydrophobicContact CG2-CE1 3.16Å; I329-Y358 HydrophobicContact CG2-CE2 3.91Å; I329-Y358 HydrophobicContact CG2-CG 3.97Å; L352-Y358 WeakPolarHBondContact CA-OH 3.35Å; L352-Y358 HydrophobicContact CB-CE2 3.92Å; L352-Y358 HydrophobicContact CD1-CE2 4.5Å; L352-Y358 HydrophobicContact CD2-CD1 4.17Å; L352-Y358 HydrophobicContact CD2-CE1 3.61Å; L352-Y358 HydrophobicContact CD2-CE2 4.42Å; R353-Y358 PolarHBondContact N-OH 2.75Å; T356-Y358 HydrophobicContact CG2-CD2 4.27Å; T356-Y358 HydrophobicContact CG2-CE2 3.75Å; T356-Y358 WeakPolarHBondContact O-CD2 3.15Å; Y358-S378 CarbonylContact O-C 3.52Å; Y358-S378 VanDerWaalsContact O-CA 3.24Å; Y358-S378 WeakPolarHBondContact O-CA 3.46Å; Y358-F379 VanDerWaalsContact CB-CE1 3.44Å; Y358-F379 HydrophobicContact CD2-CE2 4.38Å; Y358-F379 HydrophobicContact CD2-CZ 4.37Å; Y358-F379 HydrophobicContact CG-CE1 4.34Å; Y358-F379 HydrophobicContact CG-CE2 4.39Å; Y358-F379 AromaticContact CG-CZ 3.95Å; Y358-F379 HydrophobicContact CG-CZ 3.95Å; Y358-F379 PolarHBondContact N-O 3.3Å; Y358-F379 PolarHBondContact O-N 3.16Å; Y358-T381 HydrophobicContact CD2-CG2 4.16Å; Y358-T381 HydrophobicContact CE2-CG2 4.08Å
359H85.3Confident80.8Confident39 Ų3953.9 Ų53.918%0.18128%0.28CS..EExtended strand (participates in β ladder)trans-108138.2171.2-63.6-98.7000109.8F327 S328 G331 Y336 V377F327-H359 CarbonylContact C-O 3.49Å; F327-H359 WeakPolarHBondContact CA-O 3.38Å; F327-H359 WeakPolarHBondContact CB-O 3.21Å; S328-H359 PolarHBondContact N-O 2.96Å; S328-H359 PolarHBondContact O-N 3.13Å; G331-H359 VanDerWaalsContact C-CD2 3.47Å; G331-H359 WeakPolarHBondContact CA-NE2 3.41Å; Y336-H359 HydrophobicContact CE1-CB 4.29Å; H359-V377 CarbonylContact C-O 3.57Å; H359-V377 WeakPolarHBondContact CA-O 3.36Å
360V86.1Confident80.5Confident0 Ų057.4 Ų57.40%030%0.298CS..EExtended strand (participates in β ladder)trans-131.3144.4-179.8-161.40000111.2V296 V325 A326 F327 L349 S376 V377 F379V296-V360 HydrophobicContact CG1-CG1 4.08Å; V296-V360 HydrophobicContact CG2-CG1 4.24Å; V296-V360 HydrophobicContact CG2-CG2 4.33Å; V325-V360 HydrophobicContact CG1-CG1 3.69Å; A326-V360 CarbonylContact O-C 3.46Å; A326-V360 WeakPolarHBondContact O-CA 3.31Å; A326-V360 WeakPolarHBondContact O-CG1 3.48Å; F327-V360 HydrophobicContact CB-CG1 4.37Å; F327-V360 HydrophobicContact CB-CG2 4.02Å; L349-V360 HydrophobicContact CD1-CG2 3.99Å; V360-S376 CarbonylContact O-C 3.58Å; V360-S376 WeakPolarHBondContact O-CA 3.44Å; V360-V377 HydrophobicContact CB-CG1 4.12Å; V360-V377 PolarHBondContact N-O 3.35Å; V360-V377 PolarHBondContact O-N 2.87Å; V360-F379 HydrophobicContact CG2-CD1 4.16Å; V360-F379 HydrophobicContact CG2-CE1 3.64Å
361R85.5Confident80.1Confident79 Ų7950.8 Ų50.830%0.29827%0.268SS..EExtended strand (participates in β ladder)trans-140.6164.3173.568.9-174.9-169.3-176.73.2110.8A326 Y336A326-R361 HydrophobicContact CB-CG 4.47Å; A326-R361 PolarHBondContact N-O 3.19Å; A326-R361 PolarHBondContact O-N 2.94Å; Y336-R361 HydrophobicContact CD1-CG 4.07Å; Y336-R361 HydrophobicContact CE1-CB 4.48Å; Y336-R361 HydrophobicContact CE1-CG 3.95Å
362V85.2Confident80.1Confident1 Ų146.8 Ų46.81%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-133.8146.4-178.2-173.60000110.8I281 P284 W298 Y323 E324 V325 S374I281-V362 HydrophobicContact CD1-CB 4.21Å; I281-V362 HydrophobicContact CD1-CG1 3.86Å; P284-V362 HydrophobicContact CB-CG2 3.92Å; P284-V362 HydrophobicContact CG-CG2 4.06Å; W298-V362 HydrophobicContact CD2-CB 4.31Å; W298-V362 HydrophobicContact CD2-CG1 3.78Å; W298-V362 HydrophobicContact CD2-CG2 3.87Å; W298-V362 HydrophobicContact CE3-CG1 4.27Å; W298-V362 HydrophobicContact CE3-CG2 3.62Å; W298-V362 HydrophobicContact CG-CB 4.42Å; W298-V362 HydrophobicContact CG-CG1 4.03Å; W298-V362 HydrophobicContact CG-CG2 4.3Å; W298-V362 HydrophobicContact CZ2-CG1 4.14Å; W298-V362 HydrophobicContact CZ3-CG2 4.11Å; Y323-V362 HydrophobicContact CD1-CG1 4.4Å; E324-V362 CarbonylContact O-C 3.49Å; E324-V362 VanDerWaalsContact O-CA 3.25Å; E324-V362 WeakPolarHBondContact O-CA 3.29Å; V325-V362 HydrophobicContact CG1-CG2 4.38Å; V325-V362 HydrophobicContact CG2-CG1 4.44Å; V325-V362 HydrophobicContact CG2-CG2 4.2Å; V362-S374 PolarHBondContact N-OG 2.93Å; V362-S374 VanDerWaalsContact O-CB 3.25Å; V362-S374 WeakPolarHBondContact O-CB 3.45Å; V362-S374 PolarHBondContact O-N 2.81Å; V362-S374 PolarHBondContact O-OG 3.45Å
363Q83.9Confident80Confident41 Ų4149.3 Ų49.319%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-133.6127.2-177.9-170.9167.1-7.600110.5Y323 E324 G371 P373Y323-Q363 CarbonylContact C-O 3.57Å; Y323-Q363 VanDerWaalsContact CA-O 3.32Å; Y323-Q363 WeakPolarHBondContact CA-O 3.06Å; E324-Q363 PolarHBondContact N-O 2.97Å; E324-Q363 PolarHBondContact O-N 3.2Å; Q363-G371 VanDerWaalsContact CG-O 3.25Å; Q363-G371 WeakPolarHBondContact CG-O 3.33Å; Q363-G371 PolarHBondContact NE2-O 2.98Å; Q363-P373 HydrophobicContact CB-CB 4.06Å; Q363-P373 HydrophobicContact CG-CB 4.13Å
364A81.5Confident80.1Confident0 Ų042.3 Ų42.30%024%0.244CC..EExtended strand (participates in β ladder)trans-84.9145.7178.900000112.3I281 P301 S322 Y323 G371I281-A364 HydrophobicContact CD1-CB 4.25Å; P301-A364 HydrophobicContact CG-CB 4.04Å; S322-A364 CarbonylContact O-C 3.55Å; S322-A364 WeakPolarHBondContact O-CA 3.19Å; Y323-A364 HydrophobicContact CD1-CB 3.93Å; Y323-A364 HydrophobicContact CE1-CB 3.91Å; A364-G371 PolarHBondContact O-N 3.25Å
365A79.2Confident79.9Confident7 Ų746.1 Ų46.16%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-137.2144.3177.100000111.4S322 L369 L370S322-A365 PolarHBondContact N-O 2.6Å; S322-A365 PolarHBondContact O-N 2.68Å; S322-A365 PolarHBondContact OG-O 2.75Å; A365-L369 WeakPolarHBondContact CA-O 3.21Å; A365-L370 HydrophobicContact CB-CD1 3.88Å; A365-L370 HydrophobicContact CB-CG 3.91Å
366C75.8Confident80Confident1 Ų144.2 Ų44.21%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-135127.8170.2175.90000108.5L278 D320 L321 C368 L369L278-C366 HydrophobicContact CD1-CB 4.01Å; L278-C366 HydrophobicContact CD2-CB 3.73Å; L278-C366 HydrophobicContact CG-CB 4.49Å; D320-C366 PolarHBondContact O-SG 3.37Å; L321-C366 HydrophobicContact CD2-CB 4.14Å; C366-C368 PolarHBondContact O-N 2.94Å; C366-L369 PolarHBondContact N-O 3.33Å; C366-L369 PolarHBondContact O-N 3.05Å
367N74.7Confident80.2Confident137 Ų13743.8 Ų43.873%0.73324%0.241SC*.THydrogen-bonded Turntrans49.7-108.5-170.3-65.8-59.5000112.1
368C68.4Low80.1Confident115 Ų11543.1 Ų43.178%0.77724%0.244SC*.THydrogen-bonded Turntrans-109.97.2178.859.60000114C366C366-C368 PolarHBondContact O-N 2.94Å
369L70.1Confident80.1Confident50 Ų5043.4 Ų43.426%0.26225%0.245SC..EExtended strand (participates in β ladder)trans-103.9115.1-178.4-64.6173.4000109.6L274 L275 L278 A365 C366L274-L369 HydrophobicContact CB-CD1 4.48Å; L274-L369 HydrophobicContact CD2-CD1 3.86Å; L275-L369 HydrophobicContact CD2-CB 3.83Å; L275-L369 HydrophobicContact CD2-CD2 3.82Å; L275-L369 HydrophobicContact CD2-CG 4.34Å; L275-L369 HydrophobicContact CG-CB 4.26Å; L275-L369 HydrophobicContact CG-CD2 4.11Å; L278-L369 HydrophobicContact CD1-CB 3.98Å; A365-L369 WeakPolarHBondContact CA-O 3.21Å; C366-L369 PolarHBondContact N-O 3.33Å; C366-L369 PolarHBondContact O-N 3.05Å
370L76.1Confident80Confident78 Ų7845 Ų4541%0.40826%0.258SS..EExtended strand (participates in β ladder)trans-92.9127.7169.9-87.671.4000109.6L275 A365L275-L370 VanDerWaalsContact CD2-O 3.29Å; L275-L370 WeakPolarHBondContact CD2-O 3.22Å; A365-L370 HydrophobicContact CB-CD1 3.88Å; A365-L370 HydrophobicContact CB-CG 3.91Å
371G74.1Confident79.9Confident2 Ų245.3 Ų45.32%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-69.1176.2164.700000112Q363 A364Q363-G371 VanDerWaalsContact CG-O 3.25Å; Q363-G371 WeakPolarHBondContact CG-O 3.33Å; Q363-G371 PolarHBondContact NE2-O 2.98Å; A364-G371 PolarHBondContact O-N 3.25Å
372S77.8Confident79.8Confident65 Ų6546.4 Ų46.446%0.45527%0.271SS..EExtended strand (participates in β ladder)trans-68.1144.2173-57.80000111.7S279S279-S372 PolarHBondContact OG-N 2.87Å; S279-S372 PolarHBondContact OG-OG 3.2Å
373P79.8Confident79.7Confident54 Ų5448.2 Ų48.235%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-69.7149175.628.8-34.3000112.1Q363Q363-P373 HydrophobicContact CB-CB 4.06Å; Q363-P373 HydrophobicContact CG-CB 4.13Å
374S82.5Confident79.8Confident13 Ų1347.7 Ų47.79%0.09128%0.284CS..PPolyproline II helixtrans-61.2162.8179.178.10000113.4S282 P284 V362S282-S374 WeakPolarHBondContact O-CB 3.29Å; P284-S374 VanDerWaalsContact CD-OG 3.29Å; P284-S374 WeakPolarHBondContact CD-OG 3.45Å; V362-S374 PolarHBondContact N-OG 2.93Å; V362-S374 VanDerWaalsContact O-CB 3.25Å; V362-S374 WeakPolarHBondContact O-CB 3.45Å; V362-S374 PolarHBondContact O-N 2.81Å; V362-S374 PolarHBondContact O-OG 3.45Å
375E79.4Confident80Confident96 Ų9652.1 Ų52.145%0.44931%0.305SS..  trans-45.9142.5152.7-97.4-92.1104.800111.4K283 P284 K332K283-E375 HydrophobicContact CB-CB 3.96Å; K283-E375 HydrophobicContact CD-CB 3.81Å; K283-E375 HydrophobicContact CD-CG 4.49Å; K283-E375 HydrophobicContact CG-CB 3.75Å; K283-E375 IonicContact NZ-OE2 2.7Å; K283-E375 PolarHBondContact NZ-OE2 3.08Å; P284-E375 WeakPolarHBondContact CD-O 3.34Å; K332-E375 IonicContact NZ-OE1 2.66Å; K332-E375 PolarHBondContact NZ-OE1 3.3Å
376S81.8Confident80.5Confident11 Ų1152 Ų528%0.07730%0.304CS..  trans-87.4138.8176.865.10000112.5K283 K332 Y336 V360K283-S376 WeakPolarHBondContact CE-O 3.32Å; K283-S376 PolarHBondContact NZ-O 2.67Å; K332-S376 VanDerWaalsContact CD-OG 3.31Å; K332-S376 WeakPolarHBondContact CD-OG 3.2Å; K332-S376 VanDerWaalsContact CE-OG 3.29Å; K332-S376 WeakPolarHBondContact CE-OG 3.43Å; K332-S376 VanDerWaalsContact CG-OG 3.31Å; K332-S376 WeakPolarHBondContact CG-OG 3.48Å; Y336-S376 WeakPolarHBondContact OH-CB 3.48Å; V360-S376 CarbonylContact O-C 3.58Å; V360-S376 WeakPolarHBondContact O-CA 3.44Å
377V86.2Confident81.1Confident27 Ų2754.9 Ų54.916%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-98.6160.8165.467.50000110.2P284 V286 H359 V360P284-V377 HydrophobicContact CB-CG1 4.42Å; P284-V377 HydrophobicContact CG-CB 4.48Å; P284-V377 HydrophobicContact CG-CG1 3.9Å; P284-V377 WeakPolarHBondContact O-CB 3.43Å; V286-V377 HydrophobicContact CG2-CB 4.4Å; V286-V377 HydrophobicContact CG2-CG1 3.45Å; V286-V377 VanDerWaalsContact CG2-CG1 3.45Å; V286-V377 HydrophobicContact CG2-CG2 4.03Å; H359-V377 CarbonylContact C-O 3.57Å; H359-V377 WeakPolarHBondContact CA-O 3.36Å; V360-V377 HydrophobicContact CB-CG1 4.12Å; V360-V377 PolarHBondContact N-O 3.35Å; V360-V377 PolarHBondContact O-N 2.87Å
378S84.6Confident81.7Confident79 Ų7951.6 Ų51.655%0.55231%0.305SS*.EExtended strand (participates in β ladder)trans-137.1143.4-179.156.10000112.8Y358Y358-S378 CarbonylContact O-C 3.52Å; Y358-S378 VanDerWaalsContact O-CA 3.24Å; Y358-S378 WeakPolarHBondContact O-CA 3.46Å
379F84.1Confident82.8Confident16 Ų1646.3 Ų46.37%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-147.8164.8178.974.4-86.4000112V286 I289 A294 L349 L352 Y358 V360 T381V286-F379 HydrophobicContact CB-CD1 4.43Å; V286-F379 HydrophobicContact CG1-CB 4.2Å; V286-F379 HydrophobicContact CG1-CD1 3.81Å; V286-F379 HydrophobicContact CG1-CD2 4.47Å; V286-F379 HydrophobicContact CG1-CE1 4.25Å; V286-F379 HydrophobicContact CG1-CG 3.91Å; V286-F379 HydrophobicContact CG2-CD1 4.04Å; I289-F379 HydrophobicContact CD1-CB 3.77Å; I289-F379 HydrophobicContact CD1-CD2 4.21Å; I289-F379 HydrophobicContact CD1-CG 4.33Å; I289-F379 HydrophobicContact CG1-CB 4.37Å; I289-F379 HydrophobicContact CG1-CD2 3.95Å; I289-F379 HydrophobicContact CG1-CG 4.41Å; I289-F379 HydrophobicContact CG2-CD2 3.77Å; I289-F379 HydrophobicContact CG2-CE2 4.22Å; A294-F379 HydrophobicContact CB-CD2 4.07Å; A294-F379 HydrophobicContact CB-CE1 4.29Å; A294-F379 HydrophobicContact CB-CE2 3.4Å; A294-F379 VanDerWaalsContact CB-CE2 3.4Å; A294-F379 HydrophobicContact CB-CZ 3.53Å; L349-F379 HydrophobicContact CD1-CE1 4.1Å; L349-F379 HydrophobicContact CD1-CZ 4.07Å; L352-F379 HydrophobicContact CD1-CE2 3.76Å; L352-F379 HydrophobicContact CD1-CZ 3.68Å; Y358-F379 VanDerWaalsContact CB-CE1 3.44Å; Y358-F379 HydrophobicContact CD2-CE2 4.38Å; Y358-F379 HydrophobicContact CD2-CZ 4.37Å; Y358-F379 HydrophobicContact CG-CE1 4.34Å; Y358-F379 HydrophobicContact CG-CE2 4.39Å; Y358-F379 AromaticContact CG-CZ 3.95Å; Y358-F379 HydrophobicContact CG-CZ 3.95Å; Y358-F379 PolarHBondContact N-O 3.3Å; Y358-F379 PolarHBondContact O-N 3.16Å; V360-F379 HydrophobicContact CG2-CD1 4.16Å; V360-F379 HydrophobicContact CG2-CE1 3.64Å; F379-T381 HydrophobicContact CE2-CG2 4.11Å
380T84Confident83.7Confident73 Ų7346.6 Ų46.645%0.44828%0.276SS..EExtended strand (participates in β ladder)trans-127.6128.7-178.8-46.60000110.3I289 T356 D357I289-T380 VanDerWaalsContact CG2-O 3.27Å; I289-T380 WeakPolarHBondContact CG2-O 3.32Å; T356-T380 WeakPolarHBondContact O-CA 3.49Å; D357-T380 WeakPolarHBondContact OD1-CB 3.31Å; D357-T380 WeakPolarHBondContact OD1-CG2 3.23Å; D357-T380 PolarHBondContact OD1-OG1 3.42Å
381T83.8Confident84.3Confident6 Ų644.7 Ų44.74%0.03727%0.268CS..PPolyproline II helixtrans-72.3157.8177.751.90000113.2Q290 L352 R353 A355 T356 Y358 F379Q290-T381 WeakPolarHBondContact O-CB 3.25Å; L352-T381 HydrophobicContact CB-CG2 3.8Å; L352-T381 HydrophobicContact CD1-CG2 3.8Å; L352-T381 HydrophobicContact CG-CG2 4.48Å; R353-T381 WeakPolarHBondContact O-CB 3.41Å; R353-T381 PolarHBondContact O-OG1 2.67Å; A355-T381 WeakPolarHBondContact CA-O 3.27Å; A355-T381 PolarHBondContact N-O 2.85Å; A355-T381 PolarHBondContact N-OG1 2.85Å; A355-T381 VanDerWaalsContact N-OG1 3.11Å; T356-T381 PolarHBondContact N-OG1 3.17Å; T356-T381 PolarHBondContact O-N 2.86Å; T356-T381 PolarHBondContact O-OG1 2.83Å; Y358-T381 HydrophobicContact CD2-CG2 4.16Å; Y358-T381 HydrophobicContact CE2-CG2 4.08Å; F379-T381 HydrophobicContact CE2-CG2 4.11Å
382L82.8Confident85.1Confident103 Ų10344.6 Ų44.654%0.53927%0.267SS..PPolyproline II helixtrans-77.5166.6176.7-54.5179.7000112.4Q290 A291 P354 A355Q290-L382 PolarHBondContact O-N 3.07Å; A291-L382 WeakPolarHBondContact CA-O 3.37Å; A291-L382 HydrophobicContact CB-CB 4.15Å; A291-L382 WeakPolarHBondContact CB-O 3.35Å; P354-L382 CarbonylContact C-O 3.52Å; P354-L382 VanDerWaalsContact CA-O 3.24Å; P354-L382 WeakPolarHBondContact CA-O 3.49Å; P354-L382 WeakPolarHBondContact CB-O 3.44Å; A355-L382 PolarHBondContact N-O 2.89Å
383S84.1Confident85.6Confident39 Ų3949 Ų4927%0.27328%0.278SS..PPolyproline II helixtrans-90.7163.817452.60000112.5N412S383-N412 WeakPolarHBondContact CA-O 3.15Å; S383-N412 VanDerWaalsContact CB-O 3.29Å; S383-N412 WeakPolarHBondContact CB-O 3.31Å
384C84.8Confident85.9Confident29 Ų2950.8 Ų50.820%0.19628%0.28CS..  trans-142.5-171.8178.773.20000113.7A291 N412 N462 M464A291-C384 HydrophobicContact CB-CB 4.3Å; C384-N412 PolarHBondContact N-O 3.35Å; C384-N412 VanDerWaalsContact N-O 3.15Å; C384-N412 VanDerWaalsContact SG-CB 3.54Å; C384-N462 PolarHBondContact O-ND2 3.41Å; C384-M464 VanDerWaalsContact C-CB 3.49Å; C384-M464 WeakPolarHBondContact O-CG 3.48Å
385E85.8Confident85.9Confident93 Ų9353.4 Ų53.444%0.43530%0.302SS..PPolyproline II helixtrans-62.3159.1176-60-171.6120.700112.2N412 M464 G465 V466E385-N412 WeakPolarHBondContact O-CB 3.15Å; E385-N412 PolarHBondContact O-ND2 2.96Å; E385-M464 HydrophobicContact CG-CB 4.27Å; E385-G465 WeakPolarHBondContact OE1-CA 3.15Å; E385-V466 PolarHBondContact OE1-N 2.66Å
386P89.4Confident85.7Confident6 Ų651.5 Ų51.54%0.03930%0.3CS..PPolyproline II helixtrans-71.3156.5179.4-10.127.2000112.1C410 I416 A460 N462 S467P386-C410 WeakPolarHBondContact CA-O 3.27Å; P386-C410 WeakPolarHBondContact CB-O 3.4Å; P386-I416 HydrophobicContact CB-CD1 4.12Å; P386-I416 HydrophobicContact CB-CG1 3.99Å; P386-I416 HydrophobicContact CG-CG1 4Å; P386-A460 HydrophobicContact CB-CB 4.29Å; P386-A460 HydrophobicContact CG-CB 4.48Å; P386-N462 HydrophobicContact CG-CB 3.88Å; P386-S467 WeakPolarHBondContact O-CB 3.14Å
387D88.1Confident85.5Confident61 Ų6152.2 Ų52.233%0.32631%0.309SS..PPolyproline II helixtrans-67.1154.8170.6-67.6-10.4000111.1P409 C410 N412D387-P409 HydrophobicContact CB-CB 4.22Å; D387-P409 WeakPolarHBondContact O-CB 3.41Å; D387-P409 WeakPolarHBondContact O-CG 3.43Å; D387-C410 HydrophobicContact CB-CB 4.45Å; D387-C410 PolarHBondContact N-O 2.73Å; D387-C410 VanDerWaalsContact N-O 3.09Å; D387-C410 WeakPolarHBondContact OD2-CB 3.13Å; D387-N412 PolarHBondContact OD1-ND2 3.06Å
388P88.3Confident85.2Confident67 Ų6754 Ų5444%0.43532%0.32SS..PPolyproline II helixtrans-60.8134.8176.7-24.135.5000112.5E468P388-E468 HydrophobicContact CB-CB 4.42Å; P388-E468 HydrophobicContact CG-CB 3.96Å
389P91.4Very high84.6Confident5 Ų555.4 Ų55.43%0.03232%0.316CS..PPolyproline II helixtrans-78.4153.3-17833.1-36.8000112.6P409 L458 S467 S470P389-P409 HydrophobicContact CB-CG 4.05Å; P389-L458 HydrophobicContact CB-CD2 3.92Å; P389-L458 HydrophobicContact CB-CG 4.35Å; P389-L458 HydrophobicContact CG-CB 4.22Å; P389-L458 HydrophobicContact CG-CD2 3.99Å; P389-L458 HydrophobicContact CG-CG 3.87Å; P389-L458 WeakPolarHBondContact CG-O 3.3Å; P389-S467 WeakPolarHBondContact CD-OG 3.43Å; P389-S470 WeakPolarHBondContact O-CB 3.23Å
390S88.9Confident84.5Confident56 Ų5657.7 Ų57.739%0.39233%0.329SS..PPolyproline II helixtrans-63.2144.1171.363.70000111.9
391P87.9Confident84.5Confident37 Ų3755.3 Ų55.324%0.2431%0.314CS..PPolyproline II helixtrans-52.4143.6178.7-28.635.1000114.6E471 V473P391-E471 HydrophobicContact CG-CB 3.82Å; P391-V473 HydrophobicContact CB-CB 4.37Å; P391-V473 HydrophobicContact CB-CG1 4.41Å
392P90.5Very high84.6Confident1 Ų155 Ų551%0.00631%0.312CS..PPolyproline II helixtrans-71.2138.6-175.829.2-35000112.2L404 W406 L421 F456 L458 V473P392-L404 HydrophobicContact CB-CB 4.37Å; P392-W406 HydrophobicContact CB-CE3 3.99Å; P392-L421 HydrophobicContact CB-CD1 4.22Å; P392-L421 HydrophobicContact CG-CD1 3.86Å; P392-F456 HydrophobicContact CG-CB 4.15Å; P392-L458 HydrophobicContact CG-CB 4.49Å; P392-V473 HydrophobicContact CG-CG1 3.81Å; P392-V473 WeakPolarHBondContact O-CG1 3.34Å
393K88.4Confident85Confident157 Ų15750.8 Ų50.868%0.68329%0.291SS*.EExtended strand (participates in β ladder)trans-104.4139.8-176.5-57.6-165.1177.8-162.10111.9A395 L404 A405K393-A395 PolarHBondContact O-N 3.29Å; K393-L404 CarbonylContact O-C 3.57Å; K393-L404 WeakPolarHBondContact O-CA 3.2Å; K393-A405 PolarHBondContact N-O 3.1Å; K393-A405 PolarHBondContact O-N 3.39Å
394K86.9Confident85.4Confident92 Ų9248.9 Ų48.940%0.428%0.278SS..EExtended strand (participates in β ladder)trans-66.4115.2172.5-175.8174.5176.2177.40110L402 L404 L475 F476K394-L402 HydrophobicContact CD-CD2 3.95Å; K394-L402 HydrophobicContact CG-CD2 4.39Å; K394-L404 HydrophobicContact CB-CD2 4.48Å; K394-L475 HydrophobicContact CB-CD1 4.11Å; K394-L475 HydrophobicContact CB-CD2 3.93Å; K394-L475 HydrophobicContact CD-CD2 4.46Å; K394-F476 PolarHBondContact NZ-O 2.68Å
395A83.1Confident85.7Confident67 Ų6748.9 Ų48.955%0.55428%0.28SS*.EExtended strand (participates in β ladder)trans-92.3-36175.700000112.2K393 V403 A405K393-A395 PolarHBondContact O-N 3.29Å; A395-V403 HydrophobicContact CB-CB 4.48Å; A395-V403 HydrophobicContact CB-CG1 4.21Å; A395-V403 PolarHBondContact N-O 3.17Å; A395-A405 HydrophobicContact CB-CB 4.39Å
396S75.6Confident86.1Confident57 Ų5745.4 Ų45.440%0.39926%0.263SS..EExtended strand (participates in β ladder)trans-162.8173.817156.90000110.4V403S396-V403 PolarHBondContact O-N 2.93Å; S396-V403 WeakPolarHBondContact OG-CB 3.39Å; S396-V403 VanDerWaalsContact OG-CG2 3.29Å; S396-V403 WeakPolarHBondContact OG-CG2 3.43Å
397G77.6Confident86Confident26 Ų2652.9 Ų52.927%0.26830%0.295SS..EExtended strand (participates in β ladder)trans-165.5167.8175.200000112.7T401G397-T401 CarbonylContact C-O 3.49Å; G397-T401 VanDerWaalsContact CA-O 3.25Å; G397-T401 WeakPolarHBondContact CA-O 3.36Å
398T78.4Confident86Confident64 Ų6452.1 Ų52.139%0.39330%0.297SS..EExtended strand (participates in β ladder)trans-134.7-179.9170.3670000108.7N400 T401 S478T398-N400 PolarHBondContact O-N 3.16Å; T398-N400 VanDerWaalsContact O-N 3.08Å; T398-N400 PolarHBondContact OG1-N 3.1Å; T398-T401 PolarHBondContact N-O 3.3Å; T398-T401 PolarHBondContact O-N 2.84Å; T398-T401 PolarHBondContact OG1-N 2.57Å; T398-T401 PolarHBondContact OG1-OG1 3.05Å; T398-S478 PolarHBondContact O-N 3.29Å
399K73.4Confident86Confident108 Ų10850 Ų5047%0.4728%0.283SS..THydrogen-bonded Turntrans-57.7-17.6172.856.8163.3-176.7-177.40115.1T449 P450K399-T449 CarbonylContact O-C 3.53Å; K399-P450 HydrophobicContact CB-CB 4.16Å; K399-P450 HydrophobicContact CB-CG 4.21Å; K399-P450 WeakPolarHBondContact O-CA 3.37Å
400N80Confident85.7Confident64 Ų6453.5 Ų53.534%0.34231%0.307SS..THydrogen-bonded Turntrans-1317.2-179.6-64.794.7000114.6T398 K447 L448T398-N400 PolarHBondContact O-N 3.16Å; T398-N400 VanDerWaalsContact O-N 3.08Å; T398-N400 PolarHBondContact OG1-N 3.1Å; N400-K447 PolarHBondContact O-N 3.12Å; N400-L448 VanDerWaalsContact CA-O 3.31Å; N400-L448 WeakPolarHBondContact CA-O 3.43Å; N400-L448 WeakPolarHBondContact CB-O 3.26Å; N400-L448 PolarHBondContact ND2-O 3.07Å; N400-L448 PolarHBondContact O-N 2.91Å; N400-L448 VanDerWaalsContact O-N 3.13Å
401T84.4Confident85.5Confident23 Ų2353.9 Ų53.914%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-145.4150.5-17973.30000112.8G397 T398 R444 V445 T446G397-T401 CarbonylContact C-O 3.49Å; G397-T401 VanDerWaalsContact CA-O 3.25Å; G397-T401 WeakPolarHBondContact CA-O 3.36Å; T398-T401 PolarHBondContact N-O 3.3Å; T398-T401 PolarHBondContact O-N 2.84Å; T398-T401 PolarHBondContact OG1-N 2.57Å; T398-T401 PolarHBondContact OG1-OG1 3.05Å; T401-R444 PolarHBondContact OG1-NH1 2.84Å; T401-V445 VanDerWaalsContact CA-O 3.26Å; T401-V445 WeakPolarHBondContact CA-O 3.4Å; T401-V445 WeakPolarHBondContact CB-O 3.34Å; T401-T446 HydrophobicContact CG2-CG2 3.93Å
402L87.1Confident85.3Confident0 Ų053.3 Ų53.30%030%0.3CS..EExtended strand (participates in β ladder)trans-129.5134.7170.2-72.6175.2000109.5K394 L404 R444 V445 L448 F456 L475 T477K394-L402 HydrophobicContact CD-CD2 3.95Å; K394-L402 HydrophobicContact CG-CD2 4.39Å; L402-L404 HydrophobicContact CB-CD2 4.34Å; L402-R444 CarbonylContact O-C 3.54Å; L402-R444 WeakPolarHBondContact O-CA 3.47Å; L402-V445 PolarHBondContact N-O 2.65Å; L402-V445 PolarHBondContact O-N 3.16Å; L402-L448 HydrophobicContact CB-CD1 3.87Å; L402-L448 HydrophobicContact CD1-CD1 3.75Å; L402-L448 HydrophobicContact CG-CD1 3.58Å; L402-F456 HydrophobicContact CD1-CE2 3.98Å; L402-F456 HydrophobicContact CD1-CZ 4.12Å; L402-L475 HydrophobicContact CD1-CB 4.05Å; L402-T477 HydrophobicContact CG-CG2 4.29Å
403V90.8Very high84.6Confident14 Ų1455.5 Ų55.59%0.08532%0.322CS..EExtended strand (participates in β ladder)trans-105.2121.5171.7-174.40000108.4A395 S396 Y443 R444A395-V403 HydrophobicContact CB-CB 4.48Å; A395-V403 HydrophobicContact CB-CG1 4.21Å; A395-V403 PolarHBondContact N-O 3.17Å; S396-V403 PolarHBondContact O-N 2.93Å; S396-V403 WeakPolarHBondContact OG-CB 3.39Å; S396-V403 VanDerWaalsContact OG-CG2 3.29Å; S396-V403 WeakPolarHBondContact OG-CG2 3.43Å; V403-Y443 WeakPolarHBondContact CA-O 3.45Å; V403-R444 HydrophobicContact CG2-CB 4.19Å; V403-R444 HydrophobicContact CG2-CG 4.01Å
404L92.3Very high84.4Confident0 Ų048.7 Ų48.70%029%0.294CS..EExtended strand (participates in β ladder)trans-115.6141.3-175.9-53.9-175.1000109.7P392 K393 K394 L402 W406 L421 Q442 Y443 V445 F456 L475P392-L404 HydrophobicContact CB-CB 4.37Å; K393-L404 CarbonylContact O-C 3.57Å; K393-L404 WeakPolarHBondContact O-CA 3.2Å; K394-L404 HydrophobicContact CB-CD2 4.48Å; L402-L404 HydrophobicContact CB-CD2 4.34Å; L404-W406 HydrophobicContact CB-CZ3 4.3Å; L404-L421 HydrophobicContact CD1-CD2 4.1Å; L404-Q442 CarbonylContact O-C 3.41Å; L404-Q442 WeakPolarHBondContact O-CA 3.33Å; L404-Q442 WeakPolarHBondContact O-CB 3.47Å; L404-Y443 PolarHBondContact N-O 2.92Å; L404-Y443 PolarHBondContact O-N 3.11Å; L404-V445 HydrophobicContact CD1-CG2 4.09Å; L404-V445 HydrophobicContact CG-CG2 4.46Å; L404-F456 HydrophobicContact CD1-CB 4.37Å; L404-F456 HydrophobicContact CD1-CD1 3.58Å; L404-F456 HydrophobicContact CD1-CD2 4Å; L404-F456 HydrophobicContact CD1-CE1 3.78Å; L404-F456 HydrophobicContact CD1-CE2 4.16Å; L404-F456 HydrophobicContact CD1-CG 3.7Å; L404-F456 HydrophobicContact CD1-CZ 4.06Å; L404-L475 HydrophobicContact CD2-CD1 3.29Å
405A91.5Very high84.4Confident29 Ų2952.1 Ų52.124%0.2431%0.309CS..EExtended strand (participates in β ladder)trans-141.1149.4-179.200000112.1K393 A395 K441 Q442K393-A405 PolarHBondContact N-O 3.1Å; K393-A405 PolarHBondContact O-N 3.39Å; A395-A405 HydrophobicContact CB-CB 4.39Å; A405-K441 WeakPolarHBondContact CA-O 3.32Å; A405-Q442 HydrophobicContact CB-CB 3.96Å
406W93.2Very high84.6Confident19 Ų1950.7 Ų50.77%0.07229%0.292CS..  trans-145.3169.1-171.951.691.1000113.2P392 L404 Y419 L421 Y436 Q440 K441 L458P392-W406 HydrophobicContact CB-CE3 3.99Å; L404-W406 HydrophobicContact CB-CZ3 4.3Å; W406-Y419 AromaticContact CD1-CD1 3.7Å; W406-Y419 AromaticContact CD1-CE1 3.88Å; W406-Y419 HydrophobicContact CZ2-CG 4.43Å; W406-Y419 AromaticContact NE1-CD1 3.32Å; W406-Y419 VanDerWaalsContact NE1-CD1 3.32Å; W406-Y419 AromaticContact NE1-CD2 3.58Å; W406-Y419 AromaticContact NE1-CE1 3.83Å; W406-Y419 AromaticContact NE1-CG 3.19Å; W406-L421 HydrophobicContact CH2-CD2 4.43Å; W406-L421 HydrophobicContact CZ3-CD1 4.36Å; W406-L421 HydrophobicContact CZ3-CD2 4.26Å; W406-Y436 AromaticContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CE1 4.31Å; W406-Y436 AromaticContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CE1 4.01Å; W406-Q440 VanDerWaalsContact CZ2-O 3.22Å; W406-Q440 WeakPolarHBondContact CZ2-O 3.47Å; W406-K441 PolarHBondContact N-O 3.35Å; W406-L458 HydrophobicContact CB-CD2 3.47Å; W406-L458 VanDerWaalsContact CB-CD2 3.47Å; W406-L458 HydrophobicContact CD2-CD1 3.92Å; W406-L458 HydrophobicContact CD2-CD2 3.79Å; W406-L458 HydrophobicContact CE3-CD1 4.29Å; W406-L458 HydrophobicContact CE3-CD2 4.44Å; W406-L458 HydrophobicContact CG-CD1 4.32Å; W406-L458 HydrophobicContact CG-CD2 3.35Å; W406-L458 HydrophobicContact CG-CG 4.48Å; W406-L458 HydrophobicContact CH2-CD1 4.4Å; W406-L458 HydrophobicContact CZ2-CD1 4.04Å
407K88.6Confident85.3Confident163 Ų16353.1 Ų53.171%0.70930%0.295SS*.  trans-98.3161.5173.3-69.6-173.3176.4-175.20110.6
408A87.7Confident85.9Confident45 Ų4553.4 Ų53.437%0.37229%0.291SS..  trans-81.2134169.700000109.5Y419A408-Y419 WeakPolarHBondContact CA-OH 3.31Å; A408-Y419 WeakPolarHBondContact CB-OH 3.18Å
409P88.8Confident86.7Confident24 Ų2450.8 Ų50.816%0.15627%0.274CS..  trans-74.6179.4165.431.3-32.3000111.3D387 P389 I416 A460D387-P409 HydrophobicContact CB-CB 4.22Å; D387-P409 WeakPolarHBondContact O-CB 3.41Å; D387-P409 WeakPolarHBondContact O-CG 3.43Å; P389-P409 HydrophobicContact CB-CG 4.05Å; P409-I416 HydrophobicContact CG-CD1 3.73Å; P409-I416 WeakPolarHBondContact O-CD1 3.21Å; P409-A460 HydrophobicContact CG-CB 3.67Å
410C83.9Confident87.7Confident78 Ų7846.5 Ų46.553%0.52726%0.256SS..  trans-67.6143.2171.3-70.60000111P386 D387P386-C410 WeakPolarHBondContact CA-O 3.27Å; P386-C410 WeakPolarHBondContact CB-O 3.4Å; D387-C410 HydrophobicContact CB-CB 4.45Å; D387-C410 PolarHBondContact N-O 2.73Å; D387-C410 VanDerWaalsContact N-O 3.09Å; D387-C410 WeakPolarHBondContact OD2-CB 3.13Å
411D85.1Confident88.3Confident64 Ų6443.5 Ų43.534%0.34224%0.239SC..  trans-100.3-1.9-171.274.9-13.7000113.9G413 S414 I416 N462D411-G413 PolarHBondContact O-N 2.94Å; D411-S414 WeakPolarHBondContact CB-O 3.34Å; D411-S414 CarbonylContact O-C 3.6Å; D411-S414 PolarHBondContact O-N 2.87Å; D411-I416 HydrophobicContact CB-CD1 4.16Å; D411-I416 HydrophobicContact CB-CG1 3.9Å; D411-N462 PolarHBondContact O-ND2 2.96Å
412N84.1Confident88.7Confident25 Ų2543.8 Ų43.813%0.13424%0.239CC..THydrogen-bonded Turntrans47.738.4173.4-64.7-28.3000114.5P354 S383 C384 E385 D387P354-N412 HydrophobicContact CB-CB 4.43Å; P354-N412 HydrophobicContact CG-CB 4.43Å; S383-N412 WeakPolarHBondContact CA-O 3.15Å; S383-N412 VanDerWaalsContact CB-O 3.29Å; S383-N412 WeakPolarHBondContact CB-O 3.31Å; C384-N412 PolarHBondContact N-O 3.35Å; C384-N412 VanDerWaalsContact N-O 3.15Å; C384-N412 VanDerWaalsContact SG-CB 3.54Å; E385-N412 WeakPolarHBondContact O-CB 3.15Å; E385-N412 PolarHBondContact O-ND2 2.96Å; D387-N412 PolarHBondContact OD1-ND2 3.06Å
413G76.3Confident89Confident47 Ų4746 Ų4649%0.48525%0.248SC..THydrogen-bonded Turntrans87.41.5177.500000115.1D411D411-G413 PolarHBondContact O-N 2.94Å
414S84.6Confident88.9Confident14 Ų1445.7 Ų45.710%0.09825%0.246CC..SBendtrans-136.6117.1176178.20000111D411 I416 N462 D463D411-S414 WeakPolarHBondContact CB-O 3.34Å; D411-S414 CarbonylContact O-C 3.6Å; D411-S414 PolarHBondContact O-N 2.87Å; S414-I416 PolarHBondContact O-N 2.77Å; S414-N462 WeakPolarHBondContact CB-ND2 3.42Å; S414-N462 WeakPolarHBondContact O-CB 3.17Å; S414-N462 PolarHBondContact O-ND2 2.99Å; S414-D463 PolarHBondContact OG-N 3.09Å
415K85.6Confident88.4Confident164 Ų16450.5 Ų50.571%0.71327%0.268SS*.  trans-59.5129.2-167.6-67.1179.6-178.7175.10112.6K417 N462K415-K417 PolarHBondContact O-N 2.77Å; K415-N462 WeakPolarHBondContact O-CB 3.41Å
416I88.1Confident87.4Confident36 Ų3649.9 Ų49.919%0.18526%0.264CS..  trans-60.9121.4173.9-60.9166000109.8P386 P409 D411 S414 Y419 A460 K461P386-I416 HydrophobicContact CB-CD1 4.12Å; P386-I416 HydrophobicContact CB-CG1 3.99Å; P386-I416 HydrophobicContact CG-CG1 4Å; P409-I416 HydrophobicContact CG-CD1 3.73Å; P409-I416 WeakPolarHBondContact O-CD1 3.21Å; D411-I416 HydrophobicContact CB-CD1 4.16Å; D411-I416 HydrophobicContact CB-CG1 3.9Å; S414-I416 PolarHBondContact O-N 2.77Å; I416-Y419 HydrophobicContact CG2-CE1 4.31Å; I416-Y419 HydrophobicContact CG2-CE2 4.36Å; I416-A460 HydrophobicContact CD1-CB 4.39Å; I416-A460 HydrophobicContact CG2-CB 4.18Å; I416-K461 CarbonylContact C-O 3.59Å; I416-K461 WeakPolarHBondContact CA-O 3.47Å
417K89.6Confident86.3Confident108 Ų10856 Ų5647%0.4729%0.291SS..  trans-97.1-36.3179.7-70-174.1177.1172.50113.2K415 P439 K461 D463K415-K417 PolarHBondContact O-N 2.77Å; K417-P439 WeakPolarHBondContact O-CB 3.34Å; K417-K461 PolarHBondContact N-O 3.09Å; K417-D463 WeakPolarHBondContact CD-OD1 3.33Å; K417-D463 VanDerWaalsContact CE-OD1 3.23Å; K417-D463 WeakPolarHBondContact CE-OD1 3.37Å; K417-D463 WeakPolarHBondContact CE-OD2 3.36Å; K417-D463 IonicContact NZ-OD1 2.63Å; K417-D463 PolarHBondContact NZ-OD1 3.21Å; K417-D463 IonicContact NZ-OD2 2.66Å; K417-D463 PolarHBondContact NZ-OD2 2.64Å
418N91.4Very high85.2Confident32 Ų3251.5 Ų51.517%0.17129%0.292CS..EExtended strand (participates in β ladder)trans-143.4156.7-176.3-63.5-75.9000112.2Y437 G438 K461N418-Y437 HydrophobicContact CB-CE1 4.08Å; N418-Y437 HydrophobicContact CB-CE2 4.24Å; N418-Y437 PolarHBondContact ND2-OH 2.79Å; N418-G438 CarbonylContact C-O 3.56Å; N418-G438 WeakPolarHBondContact CA-O 3.35Å; N418-G438 VanDerWaalsContact OD1-CA 3.25Å; N418-G438 WeakPolarHBondContact OD1-CA 3.47Å; N418-K461 PolarHBondContact N-O 2.94Å; N418-K461 PolarHBondContact O-N 2.81Å
419Y94.3Very high84.1Confident10 Ų1053.5 Ų53.54%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-111.4150.1165.4-59.1-89000109.5W406 A408 I416 Y437 G438 Q440 K441 A459 A460W406-Y419 AromaticContact CD1-CD1 3.7Å; W406-Y419 AromaticContact CD1-CE1 3.88Å; W406-Y419 HydrophobicContact CZ2-CG 4.43Å; W406-Y419 AromaticContact NE1-CD1 3.32Å; W406-Y419 VanDerWaalsContact NE1-CD1 3.32Å; W406-Y419 AromaticContact NE1-CD2 3.58Å; W406-Y419 AromaticContact NE1-CE1 3.83Å; W406-Y419 AromaticContact NE1-CG 3.19Å; A408-Y419 WeakPolarHBondContact CA-OH 3.31Å; A408-Y419 WeakPolarHBondContact CB-OH 3.18Å; I416-Y419 HydrophobicContact CG2-CE1 4.31Å; I416-Y419 HydrophobicContact CG2-CE2 4.36Å; Y419-Y437 WeakPolarHBondContact O-CA 3.49Å; Y419-G438 PolarHBondContact N-O 3.35Å; Y419-G438 PolarHBondContact O-N 2.94Å; Y419-G438 VanDerWaalsContact O-N 3.08Å; Y419-Q440 WeakPolarHBondContact CD2-O 3.24Å; Y419-K441 HydrophobicContact CE2-CG 4.14Å; Y419-A459 CarbonylContact C-O 3.58Å; Y419-A459 VanDerWaalsContact CA-O 3.31Å; Y419-A459 WeakPolarHBondContact CA-O 3.33Å; Y419-A460 HydrophobicContact CD1-CB 4.18Å; Y419-A460 HydrophobicContact CE1-CB 4.22Å
420I93.9Very high83.2Confident18 Ų1854.7 Ų54.79%0.09232%0.316CS..EExtended strand (participates in β ladder)trans-121.2109.1178.9-48.4-174000107.6Q422 Q434 Y436 Y437 L458 A459 V466 F469I420-Q422 HydrophobicContact CG2-CG 4.49Å; I420-Q434 HydrophobicContact CG2-CG 4.01Å; I420-Y436 WeakPolarHBondContact CA-O 3.37Å; I420-Y437 HydrophobicContact CD1-CD2 4.26Å; I420-Y437 HydrophobicContact CD1-CE2 4.21Å; I420-Y437 HydrophobicContact CG1-CD2 3.89Å; I420-Y437 HydrophobicContact CG1-CE2 4.15Å; I420-L458 CarbonylContact O-C 3.52Å; I420-L458 WeakPolarHBondContact O-CA 3.29Å; I420-A459 HydrophobicContact CB-CB 4.38Å; I420-A459 PolarHBondContact N-O 2.8Å; I420-A459 PolarHBondContact O-N 2.84Å; I420-V466 HydrophobicContact CD1-CG1 3.92Å; I420-F469 HydrophobicContact CG2-CE1 4.42Å; I420-F469 HydrophobicContact CG2-CZ 4.49Å
421L93.5Very high83.2Confident0 Ų055.2 Ų55.20%032%0.317CS..EExtended strand (participates in β ladder)trans-99.3131.4174.3-172.973.7000109.1P392 L404 W406 C435 Y436 Y443 L458P392-L421 HydrophobicContact CB-CD1 4.22Å; P392-L421 HydrophobicContact CG-CD1 3.86Å; L404-L421 HydrophobicContact CD1-CD2 4.1Å; W406-L421 HydrophobicContact CH2-CD2 4.43Å; W406-L421 HydrophobicContact CZ3-CD1 4.36Å; W406-L421 HydrophobicContact CZ3-CD2 4.26Å; L421-C435 VanDerWaalsContact CD2-SG 3.6Å; L421-C435 PolarHBondContact O-N 3.12Å; L421-Y436 PolarHBondContact N-O 2.83Å; L421-Y436 PolarHBondContact O-N 3.11Å; L421-Y443 HydrophobicContact CD2-CD1 4.08Å; L421-L458 HydrophobicContact CB-CD1 4.25Å; L421-L458 HydrophobicContact CD1-CB 4.4Å; L421-L458 HydrophobicContact CD1-CD1 4.03Å
422Q93.3Very high83.4Confident30 Ų3053.9 Ų53.914%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-119.6155.9172.2-61.1-173.5-26.100111.8I420 F432 E433 Q434 F456 R457 F469I420-Q422 HydrophobicContact CG2-CG 4.49Å; Q422-F432 HydrophobicContact CB-CB 3.99Å; Q422-F432 HydrophobicContact CB-CD1 4.39Å; Q422-E433 CarbonylContact C-O 3.47Å; Q422-E433 WeakPolarHBondContact CA-O 3.33Å; Q422-E433 WeakPolarHBondContact CB-O 3.34Å; Q422-Q434 HydrophobicContact CG-CB 4.36Å; Q422-F456 WeakPolarHBondContact O-CA 3.21Å; Q422-R457 HydrophobicContact CB-CG 4.02Å; Q422-R457 PolarHBondContact N-O 3.28Å; Q422-R457 PolarHBondContact O-N 2.93Å; Q422-R457 VanDerWaalsContact OE1-CZ 3.26Å; Q422-F469 HydrophobicContact CG-CE1 3.87Å; Q422-F469 HydrophobicContact CG-CZ 4.18Å
423W91.9Very high83.5Confident46 Ų4659 Ų5917%0.17433%0.331CS..EExtended strand (participates in β ladder)trans-140.8154.5-178.278.9-42.5000112.9F432 E433 C435 V445 L448 Y454 S455 F456W423-F432 CarbonylContact O-C 3.59Å; W423-F432 WeakPolarHBondContact O-CA 3.41Å; W423-E433 PolarHBondContact N-O 3.29Å; W423-E433 PolarHBondContact O-N 3.06Å; W423-C435 HydrophobicContact CG-CB 4.07Å; W423-V445 HydrophobicContact CE3-CG1 4.49Å; W423-L448 HydrophobicContact CE3-CD2 4.03Å; W423-L448 HydrophobicContact CH2-CD2 4.19Å; W423-L448 HydrophobicContact CZ3-CD2 3.38Å; W423-Y454 AromaticContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CE1 4.21Å; W423-Y454 HydrophobicContact CE3-CG 4.38Å; W423-Y454 HydrophobicContact CH2-CE1 4.33Å; W423-Y454 AromaticContact CZ3-CD1 3.44Å; W423-Y454 HydrophobicContact CZ3-CD1 3.44Å; W423-Y454 VanDerWaalsContact CZ3-CD1 3.44Å; W423-Y454 AromaticContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CE1 3.48Å; W423-Y454 VanDerWaalsContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CG 4.35Å; W423-S455 CarbonylContact C-O 3.56Å; W423-S455 WeakPolarHBondContact CA-O 3.4Å; W423-F456 HydrophobicContact CB-CD1 3.52Å; W423-F456 HydrophobicContact CB-CE1 3.46Å; W423-F456 VanDerWaalsContact CB-CE1 3.46Å; W423-F456 HydrophobicContact CB-CZ 4.42Å; W423-F456 HydrophobicContact CE3-CE1 4.49Å; W423-F456 HydrophobicContact CG-CE1 4.38Å
424D88.4Confident84.3Confident8 Ų862 Ų624%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-128.2155.6169.6179.430.3000109.1G426 T429 T431 F432 S455D424-G426 PolarHBondContact O-N 2.95Å; D424-T429 PolarHBondContact OD1-OG1 3.03Å; D424-T431 PolarHBondContact OD1-OG1 2.61Å; D424-F432 HydrophobicContact CB-CD1 4.12Å; D424-F432 HydrophobicContact CB-CE1 4.02Å; D424-F432 HydrophobicContact CB-CZ 4.44Å; D424-S455 PolarHBondContact N-O 3.03Å; D424-S455 PolarHBondContact O-N 3.19Å; D424-S455 VanDerWaalsContact O-N 3.09Å
425E82Confident84.5Confident101 Ų10162.6 Ų62.647%0.47234%0.337SS..  trans-71.218-177.9-66-164.3120.500114.1K427 R453E425-K427 HydrophobicContact CB-CD 4.09Å; E425-K427 HydrophobicContact CB-CG 4.23Å; E425-K427 PolarHBondContact O-N 2.97Å; E425-K427 VanDerWaalsContact O-N 3.11Å; E425-K427 WeakPolarHBondContact OE2-CE 3.3Å; E425-K427 IonicContact OE2-NZ 2.64Å; E425-K427 PolarHBondContact OE2-NZ 2.98Å; E425-R453 CarbonylContact C-O 3.6Å
426G70.1Confident84.8Confident15 Ų1556.4 Ų56.416%0.15531%0.309CS..SBendtrans66.99.4-178.600000114.5D424 G428 R453D424-G426 PolarHBondContact O-N 2.95Å; G426-G428 VanDerWaalsContact C-N 3.32Å; G426-R453 WeakPolarHBondContact CA-O 3.26Å
427K70.4Confident85Confident147 Ų14759.5 Ų59.564%0.63932%0.319SS*.SBendtrans-80.7-10.7-177.9-69.7172.7-178.3168.90113.2E425 T429E425-K427 HydrophobicContact CB-CD 4.09Å; E425-K427 HydrophobicContact CB-CG 4.23Å; E425-K427 PolarHBondContact O-N 2.97Å; E425-K427 VanDerWaalsContact O-N 3.11Å; E425-K427 WeakPolarHBondContact OE2-CE 3.3Å; E425-K427 IonicContact OE2-NZ 2.64Å; E425-K427 PolarHBondContact OE2-NZ 2.98Å; K427-T429 VanDerWaalsContact C-N 3.3Å; K427-T429 HydrophobicContact CB-CG2 4.3Å
428G65.3Low85Confident70 Ų7054.6 Ų54.672%0.72230%0.299SS*.SBendtrans7618.3-17900000113.5G426 G430G426-G428 VanDerWaalsContact C-N 3.32Å; G428-G430 VanDerWaalsContact C-N 3.28Å
429T66.1Low84.9Confident86 Ų8657.1 Ų57.153%0.52832%0.317SS..  trans-76.3-15.2178.440.70000112.9D424 K427 T431D424-T429 PolarHBondContact OD1-OG1 3.03Å; K427-T429 VanDerWaalsContact C-N 3.3Å; K427-T429 HydrophobicContact CB-CG2 4.3Å; T429-T431 WeakPolarHBondContact CB-OG1 3.39Å; T429-T431 PolarHBondContact O-N 2.84Å; T429-T431 PolarHBondContact OG1-OG1 3.15Å
430G70.1Confident84.7Confident49 Ų4962.1 Ų62.151%0.50534%0.341SS..  trans72.66.5179.600000114G428 F432G428-G430 VanDerWaalsContact C-N 3.28Å; G430-F432 VanDerWaalsContact O-CD2 3.29Å; G430-F432 WeakPolarHBondContact O-CD2 3.42Å; G430-F432 PolarHBondContact O-N 3.06Å; G430-F432 VanDerWaalsContact O-N 3.11Å
431T83.3Confident84.6Confident90 Ų9066.6 Ų66.655%0.55236%0.36SS*.  trans-83.876.5-177.144.50000111D424 T429 E433D424-T431 PolarHBondContact OD1-OG1 2.61Å; T429-T431 WeakPolarHBondContact CB-OG1 3.39Å; T429-T431 PolarHBondContact O-N 2.84Å; T429-T431 PolarHBondContact OG1-OG1 3.15Å; T431-E433 PolarHBondContact O-N 3.29Å
432F88.1Confident84.4Confident36 Ų3672.1 Ų72.116%0.15839%0.385CS..  trans-78.4108.5-177.5-75.6-78.7000113.3Q422 W423 D424 G430 R457 V472Q422-F432 HydrophobicContact CB-CB 3.99Å; Q422-F432 HydrophobicContact CB-CD1 4.39Å; W423-F432 CarbonylContact O-C 3.59Å; W423-F432 WeakPolarHBondContact O-CA 3.41Å; D424-F432 HydrophobicContact CB-CD1 4.12Å; D424-F432 HydrophobicContact CB-CE1 4.02Å; D424-F432 HydrophobicContact CB-CZ 4.44Å; G430-F432 VanDerWaalsContact O-CD2 3.29Å; G430-F432 WeakPolarHBondContact O-CD2 3.42Å; G430-F432 PolarHBondContact O-N 3.06Å; G430-F432 VanDerWaalsContact O-N 3.11Å; F432-R457 HydrophobicContact CD1-CG 3.92Å; F432-R457 HydrophobicContact CE1-CG 4.15Å; F432-R457 HydrophobicContact CG-CG 4.25Å; F432-V472 HydrophobicContact CE1-CG1 4.21Å; F432-V472 HydrophobicContact CE1-CG2 4.36Å; F432-V472 HydrophobicContact CE2-CG2 4.09Å; F432-V472 HydrophobicContact CZ-CB 4.34Å; F432-V472 HydrophobicContact CZ-CG1 3.74Å; F432-V472 HydrophobicContact CZ-CG2 3.56Å
433E87.7Confident84.4Confident133 Ų13374.2 Ų74.262%0.62139%0.393SS*.EExtended strand (participates in β ladder)trans-84.5155.6170.9-65.7-166.7153.200112Q422 W423 T431Q422-E433 CarbonylContact C-O 3.47Å; Q422-E433 WeakPolarHBondContact CA-O 3.33Å; Q422-E433 WeakPolarHBondContact CB-O 3.34Å; W423-E433 PolarHBondContact N-O 3.29Å; W423-E433 PolarHBondContact O-N 3.06Å; T431-E433 PolarHBondContact O-N 3.29Å
434Q91.8Very high84.4Confident110 Ų11077.9 Ų77.951%0.51441%0.406SS..EExtended strand (participates in β ladder)trans-85.7115.1175.3-173-167.7-99.500112.1I420 Q422I420-Q434 HydrophobicContact CG2-CG 4.01Å; Q422-Q434 HydrophobicContact CG-CB 4.36Å
435C89Confident84.4Confident26 Ų2677.8 Ų77.818%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-102.4-16.2176.960.10000114.3L421 W423 Y443L421-C435 VanDerWaalsContact CD2-SG 3.6Å; L421-C435 PolarHBondContact O-N 3.12Å; W423-C435 HydrophobicContact CG-CB 4.07Å; C435-Y443 WeakPolarHBondContact O-CE1 3.32Å; C435-Y443 PolarHBondContact O-OH 3.37Å
436Y92Very high84.7Confident33 Ų3376.2 Ų76.213%0.12940%0.403CS..EExtended strand (participates in β ladder)trans-144.9141.8169.6179.4-108.1000112.9W406 I420 L421 G438 Q440 Y443W406-Y436 AromaticContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CE1 4.31Å; W406-Y436 AromaticContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CE1 4.01Å; I420-Y436 WeakPolarHBondContact CA-O 3.37Å; L421-Y436 PolarHBondContact N-O 2.83Å; L421-Y436 PolarHBondContact O-N 3.11Å; Y436-G438 WeakPolarHBondContact CE1-O 3.31Å; Y436-G438 VanDerWaalsContact OH-CA 3.24Å; Y436-G438 WeakPolarHBondContact OH-CA 2.91Å; Y436-Q440 VanDerWaalsContact OH-CB 3.27Å; Y436-Q440 WeakPolarHBondContact OH-CB 3.4Å; Y436-Q440 WeakPolarHBondContact OH-CG 3.35Å; Y436-Q440 PolarHBondContact OH-N 2.9Å; Y436-Y443 AromaticContact CD2-CD2 3.27Å; Y436-Y443 HydrophobicContact CD2-CD2 3.27Å; Y436-Y443 AromaticContact CD2-CE2 3.66Å; Y436-Y443 HydrophobicContact CD2-CE2 3.66Å; Y436-Y443 AromaticContact CD2-CG 3.86Å; Y436-Y443 HydrophobicContact CD2-CG 3.86Å; Y436-Y443 AromaticContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CE2 4.46Å; Y436-Y443 HydrophobicContact CG-CD1 4.48Å; Y436-Y443 AromaticContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CE2 4.34Å; Y436-Y443 AromaticContact CG-CG 3.85Å; Y436-Y443 HydrophobicContact CG-CG 3.85Å
437Y92.1Very high85.3Confident102 Ų10284.8 Ų84.840%0.444%0.436SS..EExtended strand (participates in β ladder)trans-137123.8165.6-179.5-84.1000108.3N418 Y419 I420 K461N418-Y437 HydrophobicContact CB-CE1 4.08Å; N418-Y437 HydrophobicContact CB-CE2 4.24Å; N418-Y437 PolarHBondContact ND2-OH 2.79Å; Y419-Y437 WeakPolarHBondContact O-CA 3.49Å; I420-Y437 HydrophobicContact CD1-CD2 4.26Å; I420-Y437 HydrophobicContact CD1-CE2 4.21Å; I420-Y437 HydrophobicContact CG1-CD2 3.89Å; I420-Y437 HydrophobicContact CG1-CE2 4.15Å; Y437-K461 HydrophobicContact CE2-CD 4.39Å
438G90.2Very high85.9Confident4 Ų477.8 Ų77.84%0.04141%0.406CS..EExtended strand (participates in β ladder)trans160.3179.6175.700000115.5N418 Y419 Y436 Q440N418-G438 CarbonylContact C-O 3.56Å; N418-G438 WeakPolarHBondContact CA-O 3.35Å; N418-G438 VanDerWaalsContact OD1-CA 3.25Å; N418-G438 WeakPolarHBondContact OD1-CA 3.47Å; Y419-G438 PolarHBondContact N-O 3.35Å; Y419-G438 PolarHBondContact O-N 2.94Å; Y419-G438 VanDerWaalsContact O-N 3.08Å; Y436-G438 WeakPolarHBondContact CE1-O 3.31Å; Y436-G438 VanDerWaalsContact OH-CA 3.24Å; Y436-G438 WeakPolarHBondContact OH-CA 2.91Å; G438-Q440 PolarHBondContact O-N 3.24Å
439P89.4Confident86.5Confident86 Ų8678.1 Ų78.156%0.55839%0.394SS*.SBendtrans-80-7.8-172.531.3-37.3000115.2K417K417-P439 WeakPolarHBondContact O-CB 3.34Å
440Q90.4Very high86.8Confident114 Ų11476 Ų7653%0.53338%0.382SS..  trans-74.5147.7-175.2-61.7-65.6-20.500111.6W406 Y419 Y436 G438 Q442W406-Q440 VanDerWaalsContact CZ2-O 3.22Å; W406-Q440 WeakPolarHBondContact CZ2-O 3.47Å; Y419-Q440 WeakPolarHBondContact CD2-O 3.24Å; Y436-Q440 VanDerWaalsContact OH-CB 3.27Å; Y436-Q440 WeakPolarHBondContact OH-CB 3.4Å; Y436-Q440 WeakPolarHBondContact OH-CG 3.35Å; Y436-Q440 PolarHBondContact OH-N 2.9Å; G438-Q440 PolarHBondContact O-N 3.24Å; Q440-Q442 VanDerWaalsContact C-N 3.28Å
441K90.6Very high86.7Confident113 Ų11375.8 Ų75.849%0.49138%0.375SS..SBendtrans-91.312.3176.1-60.7-177.4-176.7178.40113.2A405 W406 Y419A405-K441 WeakPolarHBondContact CA-O 3.32Å; W406-K441 PolarHBondContact N-O 3.35Å; Y419-K441 HydrophobicContact CE2-CG 4.14Å
442Q91.2Very high86.4Confident115 Ų11573 Ų7354%0.53736%0.36SS..EExtended strand (participates in β ladder)trans-154.6152.4177.362.6177.4-0.500111.2L404 A405 Q440L404-Q442 CarbonylContact O-C 3.41Å; L404-Q442 WeakPolarHBondContact O-CA 3.33Å; L404-Q442 WeakPolarHBondContact O-CB 3.47Å; A405-Q442 HydrophobicContact CB-CB 3.96Å; Q440-Q442 VanDerWaalsContact C-N 3.28Å
443Y92.6Very high86.1Confident75 Ų7577 Ų7729%0.29437%0.374SS..EExtended strand (participates in β ladder)trans-146.7151.4176.2-178.7-109.8000111.7V403 L404 L421 C435 Y436 V445V403-Y443 WeakPolarHBondContact CA-O 3.45Å; L404-Y443 PolarHBondContact N-O 2.92Å; L404-Y443 PolarHBondContact O-N 3.11Å; L421-Y443 HydrophobicContact CD2-CD1 4.08Å; C435-Y443 WeakPolarHBondContact O-CE1 3.32Å; C435-Y443 PolarHBondContact O-OH 3.37Å; Y436-Y443 AromaticContact CD2-CD2 3.27Å; Y436-Y443 HydrophobicContact CD2-CD2 3.27Å; Y436-Y443 AromaticContact CD2-CE2 3.66Å; Y436-Y443 HydrophobicContact CD2-CE2 3.66Å; Y436-Y443 AromaticContact CD2-CG 3.86Å; Y436-Y443 HydrophobicContact CD2-CG 3.86Å; Y436-Y443 AromaticContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CE2 4.46Å; Y436-Y443 HydrophobicContact CG-CD1 4.48Å; Y436-Y443 AromaticContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CE2 4.34Å; Y436-Y443 AromaticContact CG-CG 3.85Å; Y436-Y443 HydrophobicContact CG-CG 3.85Å; Y443-V445 HydrophobicContact CD1-CG2 3.9Å; Y443-V445 HydrophobicContact CE1-CB 4.49Å; Y443-V445 HydrophobicContact CE1-CG2 4.05Å
444R91.3Very high86Confident123 Ų12371.2 Ų71.246%0.46435%0.346SS..EExtended strand (participates in β ladder)trans-108.3107173-179-176-67-87.11.3109.8T401 L402 V403 T446T401-R444 PolarHBondContact OG1-NH1 2.84Å; L402-R444 CarbonylContact O-C 3.54Å; L402-R444 WeakPolarHBondContact O-CA 3.47Å; V403-R444 HydrophobicContact CG2-CB 4.19Å; V403-R444 HydrophobicContact CG2-CG 4.01Å; R444-T446 HydrophobicContact CG-CG2 3.91Å
445V89.1Confident85.9Confident6 Ų666.4 Ų66.44%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-73.3136.7168.4-164.60000108.6T401 L402 L404 W423 Y443 L448 F456T401-V445 VanDerWaalsContact CA-O 3.26Å; T401-V445 WeakPolarHBondContact CA-O 3.4Å; T401-V445 WeakPolarHBondContact CB-O 3.34Å; L402-V445 PolarHBondContact N-O 2.65Å; L402-V445 PolarHBondContact O-N 3.16Å; L404-V445 HydrophobicContact CD1-CG2 4.09Å; L404-V445 HydrophobicContact CG-CG2 4.46Å; W423-V445 HydrophobicContact CE3-CG1 4.49Å; Y443-V445 HydrophobicContact CD1-CG2 3.9Å; Y443-V445 HydrophobicContact CE1-CB 4.49Å; Y443-V445 HydrophobicContact CE1-CG2 4.05Å; V445-L448 HydrophobicContact CB-CD1 4.31Å; V445-L448 HydrophobicContact CG1-CD1 4.19Å; V445-L448 HydrophobicContact CG1-CD2 3.77Å; V445-L448 HydrophobicContact CG1-CG 4.16Å; V445-F456 HydrophobicContact CG1-CE1 4.45Å; V445-F456 HydrophobicContact CG2-CE1 3.87Å; V445-F456 HydrophobicContact CG2-CZ 4.33Å
446T87.4Confident86Confident68 Ų6865.1 Ų65.142%0.41732%0.316SS..  trans-135.2175.4-176.364.80000110.6T401 R444 L448T401-T446 HydrophobicContact CG2-CG2 3.93Å; R444-T446 HydrophobicContact CG-CG2 3.91Å; T446-L448 PolarHBondContact O-N 3.42Å
447K84.1Confident86Confident194 Ų19466.9 Ų66.984%0.84332%0.322SS*.SBendtrans61.123.1-173.5-52.3180179.7178.30114.2N400N400-K447 PolarHBondContact O-N 3.12Å
448L83.1Confident86.1Confident1 Ų162 Ų621%0.00530%0.303CS..PPolyproline II helixtrans-75.8154.1175.6-56.5-179.9000110.7N400 L402 W423 V445 T446 Y454 T477N400-L448 VanDerWaalsContact CA-O 3.31Å; N400-L448 WeakPolarHBondContact CA-O 3.43Å; N400-L448 WeakPolarHBondContact CB-O 3.26Å; N400-L448 PolarHBondContact ND2-O 3.07Å; N400-L448 PolarHBondContact O-N 2.91Å; N400-L448 VanDerWaalsContact O-N 3.13Å; L402-L448 HydrophobicContact CB-CD1 3.87Å; L402-L448 HydrophobicContact CD1-CD1 3.75Å; L402-L448 HydrophobicContact CG-CD1 3.58Å; W423-L448 HydrophobicContact CE3-CD2 4.03Å; W423-L448 HydrophobicContact CH2-CD2 4.19Å; W423-L448 HydrophobicContact CZ3-CD2 3.38Å; V445-L448 HydrophobicContact CB-CD1 4.31Å; V445-L448 HydrophobicContact CG1-CD1 4.19Å; V445-L448 HydrophobicContact CG1-CD2 3.77Å; V445-L448 HydrophobicContact CG1-CG 4.16Å; T446-L448 PolarHBondContact O-N 3.42Å; L448-Y454 HydrophobicContact CB-CD2 4.47Å; L448-Y454 HydrophobicContact CB-CE2 3.79Å; L448-Y454 HydrophobicContact CD1-CD2 4.24Å; L448-Y454 HydrophobicContact CD1-CE2 4.38Å; L448-Y454 HydrophobicContact CD2-CD1 4.16Å; L448-Y454 HydrophobicContact CD2-CD2 4Å; L448-Y454 HydrophobicContact CD2-CE1 4.01Å; L448-Y454 HydrophobicContact CD2-CE2 3.82Å; L448-Y454 HydrophobicContact CD2-CG 4.16Å; L448-Y454 HydrophobicContact CG-CD2 4.48Å; L448-Y454 HydrophobicContact CG-CE2 4.21Å; L448-T477 HydrophobicContact CB-CG2 3.61Å; L448-T477 HydrophobicContact CD1-CG2 3.74Å; L448-T477 HydrophobicContact CG-CG2 4.34Å
449T77.8Confident86.3Confident77 Ų7761.8 Ų61.847%0.47230%0.301SS..PPolyproline II helixtrans-82.6144.8174.2-560000110.3K399 S452 Y454 T477K399-T449 CarbonylContact O-C 3.53Å; T449-S452 WeakPolarHBondContact CB-OG 3.19Å; T449-S452 WeakPolarHBondContact CG2-OG 3.3Å; T449-S452 WeakPolarHBondContact O-CB 3.47Å; T449-Y454 WeakPolarHBondContact CB-OH 3.28Å; T449-Y454 PolarHBondContact N-OH 2.81Å; T449-Y454 PolarHBondContact OG1-OH 2.82Å; T449-T477 WeakPolarHBondContact O-CB 3.45Å; T449-T477 WeakPolarHBondContact O-CG2 3.2Å; T449-T477 PolarHBondContact O-OG1 3.47Å
450P72.4Confident86.4Confident41 Ų4157.7 Ų57.727%0.26628%0.275SS..THydrogen-bonded Turntrans-58.2152.6172.3-25.936.2000113.9K399 S452K399-P450 HydrophobicContact CB-CB 4.16Å; K399-P450 HydrophobicContact CB-CG 4.21Å; K399-P450 WeakPolarHBondContact O-CA 3.37Å; P450-S452 PolarHBondContact O-N 2.84Å; P450-S452 PolarHBondContact O-OG 2.92Å
451A67.4Low86.4Confident44 Ų4455.7 Ų55.736%0.36426%0.264SS..THydrogen-bonded Turntrans46.828177.700000115.8T477 S478 P509A451-T477 PolarHBondContact N-OG1 3.38Å; A451-T477 VanDerWaalsContact N-OG1 3.15Å; A451-S478 PolarHBondContact N-O 3.44Å; A451-P509 HydrophobicContact CB-CB 3.91Å; A451-P509 HydrophobicContact CB-CG 3.9Å
452S76Confident86.3Confident33 Ų3350.5 Ų50.523%0.23124%0.242CC..  trans-111.8144.8-169.7-63.50000112.1T449 P450 F476 T477T449-S452 WeakPolarHBondContact CB-OG 3.19Å; T449-S452 WeakPolarHBondContact CG2-OG 3.3Å; T449-S452 WeakPolarHBondContact O-CB 3.47Å; P450-S452 PolarHBondContact O-N 2.84Å; P450-S452 PolarHBondContact O-OG 2.92Å; S452-F476 WeakPolarHBondContact O-CA 3.3Å; S452-T477 PolarHBondContact N-OG1 3.31Å; S452-T477 PolarHBondContact O-N 3.49Å; S452-T477 VanDerWaalsContact O-N 3.16Å; S452-T477 PolarHBondContact O-OG1 3.46Å
453R82.3Confident86.1Confident120 Ų12049.9 Ų49.945%0.45324%0.242SC..EExtended strand (participates in β ladder)trans-81139.5175.5-176.2-179.2178.51670.1110.1E425 G426 D474 F476E425-R453 CarbonylContact C-O 3.6Å; G426-R453 WeakPolarHBondContact CA-O 3.26Å; R453-D474 IonicContact CZ-OD1 2.68Å; R453-D474 IonicContact CZ-OD2 3.81Å; R453-D474 IonicContact NE-OD1 2.67Å; R453-D474 PolarHBondContact NE-OD1 3.46Å; R453-D474 IonicContact NE-OD2 3.19Å; R453-D474 IonicContact NH2-OD1 2.99Å; R453-D474 PolarHBondContact NH2-OD1 3.47Å; R453-D474 IonicContact NH2-OD2 2.87Å; R453-D474 PolarHBondContact NH2-OD2 3.4Å; R453-F476 HydrophobicContact CB-CD1 4.04Å; R453-F476 HydrophobicContact CB-CE1 3.66Å; R453-F476 HydrophobicContact CB-CZ 4.18Å; R453-F476 HydrophobicContact CG-CE1 4.09Å; R453-F476 HydrophobicContact CG-CZ 4.08Å
454Y85.6Confident85.7Confident11 Ų1151.1 Ų51.14%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-139.4137.8170.7-66.2-77.6000109.6W423 L448 T449 F456 L475 T477W423-Y454 AromaticContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CE1 4.21Å; W423-Y454 HydrophobicContact CE3-CG 4.38Å; W423-Y454 HydrophobicContact CH2-CE1 4.33Å; W423-Y454 AromaticContact CZ3-CD1 3.44Å; W423-Y454 HydrophobicContact CZ3-CD1 3.44Å; W423-Y454 VanDerWaalsContact CZ3-CD1 3.44Å; W423-Y454 AromaticContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CE1 3.48Å; W423-Y454 VanDerWaalsContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CG 4.35Å; L448-Y454 HydrophobicContact CB-CD2 4.47Å; L448-Y454 HydrophobicContact CB-CE2 3.79Å; L448-Y454 HydrophobicContact CD1-CD2 4.24Å; L448-Y454 HydrophobicContact CD1-CE2 4.38Å; L448-Y454 HydrophobicContact CD2-CD1 4.16Å; L448-Y454 HydrophobicContact CD2-CD2 4Å; L448-Y454 HydrophobicContact CD2-CE1 4.01Å; L448-Y454 HydrophobicContact CD2-CE2 3.82Å; L448-Y454 HydrophobicContact CD2-CG 4.16Å; L448-Y454 HydrophobicContact CG-CD2 4.48Å; L448-Y454 HydrophobicContact CG-CE2 4.21Å; T449-Y454 WeakPolarHBondContact CB-OH 3.28Å; T449-Y454 PolarHBondContact N-OH 2.81Å; T449-Y454 PolarHBondContact OG1-OH 2.82Å; Y454-F456 WeakPolarHBondContact O-CE2 3.25Å; Y454-L475 PolarHBondContact N-O 3.5Å; Y454-L475 PolarHBondContact O-N 3.43Å; Y454-T477 HydrophobicContact CD2-CG2 4.48Å; Y454-T477 HydrophobicContact CE2-CG2 4.25Å
455S89.5Confident85.4Confident8 Ų846 Ų466%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-107.4137.7-176.4-43.80000109.6W423 D424 V473 D474W423-S455 CarbonylContact C-O 3.56Å; W423-S455 WeakPolarHBondContact CA-O 3.4Å; D424-S455 PolarHBondContact N-O 3.03Å; D424-S455 PolarHBondContact O-N 3.19Å; D424-S455 VanDerWaalsContact O-N 3.09Å; S455-V473 CarbonylContact C-O 3.5Å; S455-V473 WeakPolarHBondContact CA-O 3.41Å; S455-D474 WeakPolarHBondContact CB-OD1 3.45Å; S455-D474 PolarHBondContact OG-OD1 3.16Å
456F91.8Very high85.4Confident0 Ų048.2 Ų48.20%025%0.25CS..EExtended strand (participates in β ladder)trans-132.1147.8-172.7-61.4-85.5000112.9P392 L402 L404 Q422 W423 V445 Y454 V472 V473 L475P392-F456 HydrophobicContact CG-CB 4.15Å; L402-F456 HydrophobicContact CD1-CE2 3.98Å; L402-F456 HydrophobicContact CD1-CZ 4.12Å; L404-F456 HydrophobicContact CD1-CB 4.37Å; L404-F456 HydrophobicContact CD1-CD1 3.58Å; L404-F456 HydrophobicContact CD1-CD2 4Å; L404-F456 HydrophobicContact CD1-CE1 3.78Å; L404-F456 HydrophobicContact CD1-CE2 4.16Å; L404-F456 HydrophobicContact CD1-CG 3.7Å; L404-F456 HydrophobicContact CD1-CZ 4.06Å; Q422-F456 WeakPolarHBondContact O-CA 3.21Å; W423-F456 HydrophobicContact CB-CD1 3.52Å; W423-F456 HydrophobicContact CB-CE1 3.46Å; W423-F456 VanDerWaalsContact CB-CE1 3.46Å; W423-F456 HydrophobicContact CB-CZ 4.42Å; W423-F456 HydrophobicContact CE3-CE1 4.49Å; W423-F456 HydrophobicContact CG-CE1 4.38Å; V445-F456 HydrophobicContact CG1-CE1 4.45Å; V445-F456 HydrophobicContact CG2-CE1 3.87Å; V445-F456 HydrophobicContact CG2-CZ 4.33Å; Y454-F456 WeakPolarHBondContact O-CE2 3.25Å; F456-V472 CarbonylContact O-C 3.56Å; F456-V472 WeakPolarHBondContact O-CA 3.44Å; F456-V473 HydrophobicContact CB-CG1 4.07Å; F456-V473 PolarHBondContact N-O 2.69Å; F456-V473 PolarHBondContact O-N 2.85Å; F456-L475 HydrophobicContact CD2-CB 4.37Å; F456-L475 HydrophobicContact CD2-CD1 4.03Å; F456-L475 HydrophobicContact CD2-CG 4.43Å; F456-L475 HydrophobicContact CE2-CB 4.16Å; F456-L475 HydrophobicContact CE2-CD1 4.31Å
457R92.6Very high85.6Confident69 Ų6945.3 Ų45.326%0.2623%0.233SC..EExtended strand (participates in β ladder)trans-143.9156.5170.566.8-179.8-170.7-173-0.3111.9Q422 F432 F469 V472Q422-R457 HydrophobicContact CB-CG 4.02Å; Q422-R457 PolarHBondContact N-O 3.28Å; Q422-R457 PolarHBondContact O-N 2.93Å; Q422-R457 VanDerWaalsContact OE1-CZ 3.26Å; F432-R457 HydrophobicContact CD1-CG 3.92Å; F432-R457 HydrophobicContact CE1-CG 4.15Å; F432-R457 HydrophobicContact CG-CG 4.25Å; R457-F469 HydrophobicContact CB-CD1 4.37Å; R457-F469 HydrophobicContact CG-CB 4.42Å; R457-F469 HydrophobicContact CG-CD1 3.78Å; R457-F469 HydrophobicContact CG-CE1 4.41Å; R457-F469 HydrophobicContact CG-CG 4.29Å; R457-V472 HydrophobicContact CB-CG2 4.38Å
458L94.4Very high85.9Confident0 Ų043.4 Ų43.40%023%0.227CC..EExtended strand (participates in β ladder)trans-135139-168.3-177.874.3000112P389 P392 W406 I420 L421 F469 S470P389-L458 HydrophobicContact CB-CD2 3.92Å; P389-L458 HydrophobicContact CB-CG 4.35Å; P389-L458 HydrophobicContact CG-CB 4.22Å; P389-L458 HydrophobicContact CG-CD2 3.99Å; P389-L458 HydrophobicContact CG-CG 3.87Å; P389-L458 WeakPolarHBondContact CG-O 3.3Å; P392-L458 HydrophobicContact CG-CB 4.49Å; W406-L458 HydrophobicContact CB-CD2 3.47Å; W406-L458 VanDerWaalsContact CB-CD2 3.47Å; W406-L458 HydrophobicContact CD2-CD1 3.92Å; W406-L458 HydrophobicContact CD2-CD2 3.79Å; W406-L458 HydrophobicContact CE3-CD1 4.29Å; W406-L458 HydrophobicContact CE3-CD2 4.44Å; W406-L458 HydrophobicContact CG-CD1 4.32Å; W406-L458 HydrophobicContact CG-CD2 3.35Å; W406-L458 HydrophobicContact CG-CG 4.48Å; W406-L458 HydrophobicContact CH2-CD1 4.4Å; W406-L458 HydrophobicContact CZ2-CD1 4.04Å; I420-L458 CarbonylContact O-C 3.52Å; I420-L458 WeakPolarHBondContact O-CA 3.29Å; L421-L458 HydrophobicContact CB-CD1 4.25Å; L421-L458 HydrophobicContact CD1-CB 4.4Å; L421-L458 HydrophobicContact CD1-CD1 4.03Å; L458-F469 CarbonylContact O-C 3.48Å; L458-F469 WeakPolarHBondContact O-CA 3.48Å; L458-S470 PolarHBondContact N-OG 3.29Å; L458-S470 PolarHBondContact O-N 2.95Å
459A92.4Very high86.2Confident0 Ų046.8 Ų46.80%024%0.242CC..EExtended strand (participates in β ladder)trans-127.8163.9169.100000111.5Y419 I420 V466 F469Y419-A459 CarbonylContact C-O 3.58Å; Y419-A459 VanDerWaalsContact CA-O 3.31Å; Y419-A459 WeakPolarHBondContact CA-O 3.33Å; I420-A459 HydrophobicContact CB-CB 4.38Å; I420-A459 PolarHBondContact N-O 2.8Å; I420-A459 PolarHBondContact O-N 2.84Å; A459-V466 HydrophobicContact CB-CG1 4.18Å; A459-F469 HydrophobicContact CB-CD1 3.67Å; A459-F469 HydrophobicContact CB-CD2 4.42Å; A459-F469 HydrophobicContact CB-CE1 3.68Å; A459-F469 HydrophobicContact CB-CE2 4.43Å; A459-F469 HydrophobicContact CB-CG 4.05Å; A459-F469 HydrophobicContact CB-CZ 4.08Å
460A92.1Very high86.9Confident0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-121.8146.8178.500000111.4P386 P409 I416 Y419 V466 S467P386-A460 HydrophobicContact CB-CB 4.29Å; P386-A460 HydrophobicContact CG-CB 4.48Å; P409-A460 HydrophobicContact CG-CB 3.67Å; I416-A460 HydrophobicContact CD1-CB 4.39Å; I416-A460 HydrophobicContact CG2-CB 4.18Å; Y419-A460 HydrophobicContact CD1-CB 4.18Å; Y419-A460 HydrophobicContact CE1-CB 4.22Å; A460-V466 WeakPolarHBondContact O-CA 3.42Å; A460-S467 PolarHBondContact N-OG 2.73Å; A460-S467 PolarHBondContact O-N 2.97Å; A460-S467 PolarHBondContact O-OG 2.84Å
461K91Very high87.6Confident71 Ų7149.1 Ų49.131%0.30925%0.245SC..EExtended strand (participates in β ladder)trans-131.3126.6-175178.4171.2-170.7172.40112.2I416 K417 N418 Y437 G465 V466I416-K461 CarbonylContact C-O 3.59Å; I416-K461 WeakPolarHBondContact CA-O 3.47Å; K417-K461 PolarHBondContact N-O 3.09Å; N418-K461 PolarHBondContact N-O 2.94Å; N418-K461 PolarHBondContact O-N 2.81Å; Y437-K461 HydrophobicContact CE2-CD 4.39Å; K461-G465 WeakPolarHBondContact CA-O 3.4Å; K461-G465 WeakPolarHBondContact CG-O 3.49Å; K461-V466 HydrophobicContact CB-CG2 4.15Å; K461-V466 HydrophobicContact CD-CG2 3.83Å; K461-V466 HydrophobicContact CG-CG2 3.89Å
462N89.4Confident88.6Confident4 Ų450.5 Ų50.52%0.02125%0.249CC..  trans-111.7-159.3168.368.810000110.9C384 P386 D411 S414 K415 M464 G465C384-N462 PolarHBondContact O-ND2 3.41Å; P386-N462 HydrophobicContact CG-CB 3.88Å; D411-N462 PolarHBondContact O-ND2 2.96Å; S414-N462 WeakPolarHBondContact CB-ND2 3.42Å; S414-N462 WeakPolarHBondContact O-CB 3.17Å; S414-N462 PolarHBondContact O-ND2 2.99Å; K415-N462 WeakPolarHBondContact O-CB 3.41Å; N462-M464 WeakPolarHBondContact OD1-CA 3.25Å; N462-M464 WeakPolarHBondContact OD1-CB 3.44Å; N462-M464 PolarHBondContact OD1-N 3.06Å; N462-G465 PolarHBondContact N-O 2.92Å; N462-G465 PolarHBondContact OD1-N 3.39Å; N462-G465 VanDerWaalsContact OD1-N 3.1Å
463D86.1Confident89.2Confident103 Ų10350.7 Ų50.755%0.55125%0.248SC*.SBendtrans-83.1-14.3177.1-74.3-36.4000114.3S414 K417S414-D463 PolarHBondContact OG-N 3.09Å; K417-D463 WeakPolarHBondContact CD-OD1 3.33Å; K417-D463 VanDerWaalsContact CE-OD1 3.23Å; K417-D463 WeakPolarHBondContact CE-OD1 3.37Å; K417-D463 WeakPolarHBondContact CE-OD2 3.36Å; K417-D463 IonicContact NZ-OD1 2.63Å; K417-D463 PolarHBondContact NZ-OD1 3.21Å; K417-D463 IonicContact NZ-OD2 2.66Å; K417-D463 PolarHBondContact NZ-OD2 2.64Å
464M83.5Confident89.3Confident101 Ų10147.7 Ų47.750%0.49824%0.241SC..SBendtrans-83.8-33.1174.8-54.9-52.1-64.400111.3C384 E385 N462C384-M464 VanDerWaalsContact C-CB 3.49Å; C384-M464 WeakPolarHBondContact O-CG 3.48Å; E385-M464 HydrophobicContact CG-CB 4.27Å; N462-M464 WeakPolarHBondContact OD1-CA 3.25Å; N462-M464 WeakPolarHBondContact OD1-CB 3.44Å; N462-M464 PolarHBondContact OD1-N 3.06Å
465G85.7Confident89.2Confident15 Ų1548.3 Ų48.316%0.15525%0.246CC..  trans160.1-143.2175.300000114.1E385 K461 N462E385-G465 WeakPolarHBondContact OE1-CA 3.15Å; K461-G465 WeakPolarHBondContact CA-O 3.4Å; K461-G465 WeakPolarHBondContact CG-O 3.49Å; N462-G465 PolarHBondContact N-O 2.92Å; N462-G465 PolarHBondContact OD1-N 3.39Å; N462-G465 VanDerWaalsContact OD1-N 3.1Å
466V88.7Confident88.7Confident52 Ų5253.4 Ų53.432%0.31527%0.267SS..BIsolated β-bridgetrans-128.5125.3-167.9-170.80000110.5E385 I420 A459 A460 K461E385-V466 PolarHBondContact OE1-N 2.66Å; I420-V466 HydrophobicContact CD1-CG1 3.92Å; A459-V466 HydrophobicContact CB-CG1 4.18Å; A460-V466 WeakPolarHBondContact O-CA 3.42Å; K461-V466 HydrophobicContact CB-CG2 4.15Å; K461-V466 HydrophobicContact CD-CG2 3.83Å; K461-V466 HydrophobicContact CG-CG2 3.89Å
467S91.8Very high87.8Confident8 Ų853.8 Ų53.86%0.05627%0.269CS..PPolyproline II helixtrans-58.9161.1175.377.80000112.2P386 P389 A460P386-S467 WeakPolarHBondContact O-CB 3.14Å; P389-S467 WeakPolarHBondContact CD-OG 3.43Å; A460-S467 PolarHBondContact N-OG 2.73Å; A460-S467 PolarHBondContact O-N 2.97Å; A460-S467 PolarHBondContact O-OG 2.84Å
468E89.6Confident86.5Confident154 Ų15452.5 Ų52.572%0.7227%0.271SS*.PPolyproline II helixtrans-57.9160.7160.8-53.4-170.3127.800111.2P388P388-E468 HydrophobicContact CB-CB 4.42Å; P388-E468 HydrophobicContact CG-CB 3.96Å
469F90.6Very high85Confident71 Ų7154 Ų5431%0.31128%0.281SS..PPolyproline II helixtrans-78.1148.5176.5-76.2-86.9000111.7I420 Q422 R457 L458 A459I420-F469 HydrophobicContact CG2-CE1 4.42Å; I420-F469 HydrophobicContact CG2-CZ 4.49Å; Q422-F469 HydrophobicContact CG-CE1 3.87Å; Q422-F469 HydrophobicContact CG-CZ 4.18Å; R457-F469 HydrophobicContact CB-CD1 4.37Å; R457-F469 HydrophobicContact CG-CB 4.42Å; R457-F469 HydrophobicContact CG-CD1 3.78Å; R457-F469 HydrophobicContact CG-CE1 4.41Å; R457-F469 HydrophobicContact CG-CG 4.29Å; L458-F469 CarbonylContact O-C 3.48Å; L458-F469 WeakPolarHBondContact O-CA 3.48Å; A459-F469 HydrophobicContact CB-CD1 3.67Å; A459-F469 HydrophobicContact CB-CD2 4.42Å; A459-F469 HydrophobicContact CB-CE1 3.68Å; A459-F469 HydrophobicContact CB-CE2 4.43Å; A459-F469 HydrophobicContact CB-CG 4.05Å; A459-F469 HydrophobicContact CB-CZ 4.08Å
470S91.9Very high83.7Confident10 Ų1056.2 Ų56.27%0.0730%0.296CS..PPolyproline II helixtrans-56.7160.5167780000111.8P389 L458P389-S470 WeakPolarHBondContact O-CB 3.23Å; L458-S470 PolarHBondContact N-OG 3.29Å; L458-S470 PolarHBondContact O-N 2.95Å
471E87.5Confident82.7Confident157 Ų15759.2 Ų59.273%0.73431%0.314SS*.PPolyproline II helixtrans-50.5151.1160.7-53.7176.2143.100111P391P391-E471 HydrophobicContact CG-CB 3.82Å
472V88.8Confident81.9Confident73 Ų7356.5 Ų56.544%0.44230%0.304SS..PPolyproline II helixtrans-78.6134.8179.5177.80000109.9F432 F456 R457F432-V472 HydrophobicContact CE1-CG1 4.21Å; F432-V472 HydrophobicContact CE1-CG2 4.36Å; F432-V472 HydrophobicContact CE2-CG2 4.09Å; F432-V472 HydrophobicContact CZ-CB 4.34Å; F432-V472 HydrophobicContact CZ-CG1 3.74Å; F432-V472 HydrophobicContact CZ-CG2 3.56Å; F456-V472 CarbonylContact O-C 3.56Å; F456-V472 WeakPolarHBondContact O-CA 3.44Å; R457-V472 HydrophobicContact CB-CG2 4.38Å
473V87.8Confident81.5Confident37 Ų3761 Ų6122%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-122.1128.9176.862.80000111.7P391 P392 S455 F456 L475P391-V473 HydrophobicContact CB-CB 4.37Å; P391-V473 HydrophobicContact CB-CG1 4.41Å; P392-V473 HydrophobicContact CG-CG1 3.81Å; P392-V473 WeakPolarHBondContact O-CG1 3.34Å; S455-V473 CarbonylContact C-O 3.5Å; S455-V473 WeakPolarHBondContact CA-O 3.41Å; F456-V473 HydrophobicContact CB-CG1 4.07Å; F456-V473 PolarHBondContact N-O 2.69Å; F456-V473 PolarHBondContact O-N 2.85Å; V473-L475 HydrophobicContact CG2-CD2 4.37Å; V473-L475 HydrophobicContact CG2-CG 4.35Å
474D85.3Confident81.3Confident57 Ų5759 Ų5931%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-93.5132.1178-77.1-69.5000112.3R453 S455R453-D474 IonicContact CZ-OD1 2.68Å; R453-D474 IonicContact CZ-OD2 3.81Å; R453-D474 IonicContact NE-OD1 2.67Å; R453-D474 PolarHBondContact NE-OD1 3.46Å; R453-D474 IonicContact NE-OD2 3.19Å; R453-D474 IonicContact NH2-OD1 2.99Å; R453-D474 PolarHBondContact NH2-OD1 3.47Å; R453-D474 IonicContact NH2-OD2 2.87Å; R453-D474 PolarHBondContact NH2-OD2 3.4Å; S455-D474 WeakPolarHBondContact CB-OD1 3.45Å; S455-D474 PolarHBondContact OG-OD1 3.16Å
475L83.2Confident81.5Confident25 Ų2554.5 Ų54.513%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-139.7145.5-176.7-62.9173.1000111.4K394 L402 L404 Y454 F456 V473K394-L475 HydrophobicContact CB-CD1 4.11Å; K394-L475 HydrophobicContact CB-CD2 3.93Å; K394-L475 HydrophobicContact CD-CD2 4.46Å; L402-L475 HydrophobicContact CD1-CB 4.05Å; L404-L475 HydrophobicContact CD2-CD1 3.29Å; Y454-L475 PolarHBondContact N-O 3.5Å; Y454-L475 PolarHBondContact O-N 3.43Å; F456-L475 HydrophobicContact CD2-CB 4.37Å; F456-L475 HydrophobicContact CD2-CD1 4.03Å; F456-L475 HydrophobicContact CD2-CG 4.43Å; F456-L475 HydrophobicContact CE2-CB 4.16Å; F456-L475 HydrophobicContact CE2-CD1 4.31Å; V473-L475 HydrophobicContact CG2-CD2 4.37Å; V473-L475 HydrophobicContact CG2-CG 4.35Å
476F78.6Confident81.6Confident115 Ų11559.2 Ų59.250%0.50432%0.315SS..EExtended strand (participates in β ladder)trans-111.7141.1-176.5-62.4-97.3000112.2K394 S452 R453K394-F476 PolarHBondContact NZ-O 2.68Å; S452-F476 WeakPolarHBondContact O-CA 3.3Å; R453-F476 HydrophobicContact CB-CD1 4.04Å; R453-F476 HydrophobicContact CB-CE1 3.66Å; R453-F476 HydrophobicContact CB-CZ 4.18Å; R453-F476 HydrophobicContact CG-CE1 4.09Å; R453-F476 HydrophobicContact CG-CZ 4.08Å
477T74Confident81.7Confident8 Ų858.8 Ų58.85%0.04931%0.313CS..  trans-71.2160.6164.646.80000111.6L402 L448 T449 A451 S452 Y454L402-T477 HydrophobicContact CG-CG2 4.29Å; L448-T477 HydrophobicContact CB-CG2 3.61Å; L448-T477 HydrophobicContact CD1-CG2 3.74Å; L448-T477 HydrophobicContact CG-CG2 4.34Å; T449-T477 WeakPolarHBondContact O-CB 3.45Å; T449-T477 WeakPolarHBondContact O-CG2 3.2Å; T449-T477 PolarHBondContact O-OG1 3.47Å; A451-T477 PolarHBondContact N-OG1 3.38Å; A451-T477 VanDerWaalsContact N-OG1 3.15Å; S452-T477 PolarHBondContact N-OG1 3.31Å; S452-T477 PolarHBondContact O-N 3.49Å; S452-T477 VanDerWaalsContact O-N 3.16Å; S452-T477 PolarHBondContact O-OG1 3.46Å; Y454-T477 HydrophobicContact CD2-CG2 4.48Å; Y454-T477 HydrophobicContact CE2-CG2 4.25Å
478S64.9Low81.8Confident41 Ų4158.5 Ų58.529%0.28731%0.311SS..  trans-70163178-50.40000112.4T398 A451T398-S478 PolarHBondContact O-N 3.29Å; A451-S478 PolarHBondContact N-O 3.44Å
479C61.4Low82Confident33 Ų3355.1 Ų55.122%0.22330%0.295CS..  trans-73-174.6177.2-157.70000112.2E561C479-E561 HydrophobicContact CB-CG 3.9Å
480S66.7Low82.2Confident46 Ų4654.4 Ų54.432%0.32230%0.295SS..  trans-146.7158.1169.956.10000111.3N559S480-N559 PolarHBondContact O-ND2 3.01Å
481V69.6Low82.3Confident62 Ų6259.1 Ų59.138%0.37632%0.316SS..PPolyproline II helixtrans-48.5140172.3-179.50000110.9E561 K563V481-E561 HydrophobicContact CG2-CB 4.07Å; V481-E561 WeakPolarHBondContact CG2-O 3.29Å; V481-K563 WeakPolarHBondContact CG1-O 3.47Å
482P74.5Confident82.6Confident15 Ų1555.9 Ų55.910%0.09730%0.303CS..PPolyproline II helixtrans-63.3154.5178.6-21.535.1000112.8I514 A557 N559 S564P482-I514 HydrophobicContact CB-CD1 4.43Å; P482-I514 HydrophobicContact CG-CD1 4.2Å; P482-I514 HydrophobicContact CG-CG1 4.44Å; P482-A557 HydrophobicContact CB-CB 3.93Å; P482-A557 HydrophobicContact CG-CB 4.35Å; P482-N559 HydrophobicContact CG-CB 4.13Å; P482-S564 VanDerWaalsContact O-CB 3.29Å; P482-S564 WeakPolarHBondContact O-CB 3.32Å
483L80.4Confident82.8Confident99 Ų9953 Ų5352%0.51829%0.287SS..PPolyproline II helixtrans-67.5151.6165.8-68.2-177.6000110.4P505 S507L483-P505 HydrophobicContact CB-CB 4.22Å; L483-P505 VanDerWaalsContact O-CG 3.28Å; L483-P505 WeakPolarHBondContact O-CG 3.45Å; L483-S507 VanDerWaalsContact CD1-OG 3.3Å; L483-S507 WeakPolarHBondContact CD1-OG 3.22Å
484P82.7Confident83Confident61 Ų6151.7 Ų51.740%0.39628%0.28SS..PPolyproline II helixtrans-54131.7171.8-26.937.3000111.3N565P484-N565 WeakPolarHBondContact CB-O 3.37Å; P484-N565 HydrophobicContact CG-CB 3.94Å
485P87.4Confident83.4Confident6 Ų650.9 Ų50.94%0.03928%0.278CS..PPolyproline II helixtrans-68.7161.8175.230.2-36.2000111.6P505 V555 A557 S567P485-P505 HydrophobicContact CB-CG 4.24Å; P485-V555 HydrophobicContact CB-CG1 4.13Å; P485-V555 HydrophobicContact CG-CB 4.42Å; P485-V555 HydrophobicContact CG-CG1 3.68Å; P485-V555 HydrophobicContact CG-CG2 4.48Å; P485-V555 VanDerWaalsContact CG-O 3.28Å; P485-V555 WeakPolarHBondContact CG-O 3.34Å; P485-A557 HydrophobicContact CG-CB 4.49Å; P485-S567 WeakPolarHBondContact O-CB 3.14Å
486F89Confident83.8Confident114 Ų11453.1 Ų53.150%0.529%0.292SS..PPolyproline II helixtrans-62.2154169.8-69.2-75.8000111Q503F486-Q503 HydrophobicContact CD2-CB 4.4Å
487P90.6Very high84.5Confident42 Ų4250.6 Ų50.627%0.27328%0.281SS..PPolyproline II helixtrans-57.9140.7176.9-20.633.7000111.1E489 Q568 V570P487-E489 PolarHBondContact O-N 3.23Å; P487-Q568 HydrophobicContact CG-CB 3.87Å; P487-Q568 HydrophobicContact CG-CG 4.39Å; P487-V570 HydrophobicContact CB-CG1 3.72Å
488P93.5Very high85.5Confident2 Ų250.2 Ų50.21%0.01328%0.279CS..PPolyproline II helixtrans-71.2132.9-175.329.2-33000110.5M500 K501 W502 L518 F553 V555 V570P488-M500 HydrophobicContact CB-CB 4.43Å; P488-M500 HydrophobicContact CB-CE 3.7Å; P488-M500 HydrophobicContact CG-CE 3.67Å; P488-K501 CarbonylContact C-O 3.55Å; P488-K501 WeakPolarHBondContact CA-O 3.43Å; P488-W502 HydrophobicContact CB-CB 4.42Å; P488-W502 HydrophobicContact CB-CE3 4.23Å; P488-L518 HydrophobicContact CB-CD1 4.31Å; P488-L518 HydrophobicContact CG-CD1 4.13Å; P488-F553 HydrophobicContact CG-CB 4.15Å; P488-V555 HydrophobicContact CB-CG1 4.28Å; P488-V555 HydrophobicContact CG-CG1 4.29Å; P488-V570 HydrophobicContact CG-CG2 3.9Å; P488-V570 WeakPolarHBondContact O-CG2 3.28Å
489E94.3Very high87Confident83 Ų8348.9 Ų48.939%0.38827%0.269SS..EExtended strand (participates in β ladder)trans-85.1144.7175.9-64.1170.2-14900110.1P487 E491 M500 K501 Q503P487-E489 PolarHBondContact O-N 3.23Å; E489-E491 PolarHBondContact O-N 3.4Å; E489-M500 WeakPolarHBondContact O-CA 3.37Å; E489-K501 HydrophobicContact CB-CG 3.99Å; E489-K501 PolarHBondContact N-O 3.46Å; E489-K501 PolarHBondContact O-N 3.23Å; E489-K501 IonicContact OE2-NZ 2.67Å; E489-K501 PolarHBondContact OE2-NZ 3.39Å; E489-Q503 PolarHBondContact OE1-NE2 3.41Å
490L95.1Very high88.6Confident57 Ų5747.3 Ų47.330%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-73.8122.4168.4177.967.8000109.5A493 L498 M500 F572L490-A493 HydrophobicContact CD1-CB 4.3Å; L490-A493 HydrophobicContact CD2-CB 4.1Å; L490-L498 HydrophobicContact CD1-CB 4.35Å; L490-L498 HydrophobicContact CD1-CD2 3.97Å; L490-M500 HydrophobicContact CD1-SD 4.3Å; L490-F572 HydrophobicContact CB-CD1 3.79Å; L490-F572 HydrophobicContact CB-CD2 3.98Å; L490-F572 HydrophobicContact CB-CE1 3.61Å; L490-F572 HydrophobicContact CB-CE2 3.79Å; L490-F572 HydrophobicContact CB-CG 3.99Å; L490-F572 HydrophobicContact CB-CZ 3.61Å; L490-F572 HydrophobicContact CD1-CG 4.48Å; L490-F572 HydrophobicContact CD2-CB 4.44Å; L490-F572 HydrophobicContact CD2-CD1 3.75Å; L490-F572 HydrophobicContact CD2-CE1 4.23Å; L490-F572 HydrophobicContact CD2-CG 4.12Å; L490-F572 HydrophobicContact CG-CD1 4.32Å; L490-F572 HydrophobicContact CG-CG 4.43Å
491E93.6Very high89.9Confident109 Ų10948.6 Ų48.651%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-92.1-48.3173-171.9178.8177.500111.4E489 T499 K501E489-E491 PolarHBondContact O-N 3.4Å; E491-T499 HydrophobicContact CB-CG2 4.14Å; E491-T499 PolarHBondContact N-O 3.42Å; E491-K501 HydrophobicContact CB-CD 3.85Å; E491-K501 HydrophobicContact CB-CG 4.15Å; E491-K501 HydrophobicContact CG-CD 4.01Å
492L93.9Very high91Very high89 Ų8946.1 Ų46.147%0.46624%0.242SC..EExtended strand (participates in β ladder)trans-149.3119-177-17962.2000111.6F497 T499L492-F497 HydrophobicContact CD2-CE2 3.91Å; L492-F497 HydrophobicContact CD2-CZ 4.25Å; L492-F497 HydrophobicContact CG-CE2 3.98Å; L492-T499 PolarHBondContact N-O 3.48Å; L492-T499 PolarHBondContact O-N 3.36Å
493A93.4Very high91.6Very high13 Ų1350.4 Ų50.411%0.10726%0.261CS..EExtended strand (participates in β ladder)trans-92.6128.4166.400000111.6L490 L498 K575L490-A493 HydrophobicContact CD1-CB 4.3Å; L490-A493 HydrophobicContact CD2-CB 4.1Å; A493-L498 HydrophobicContact CB-CD2 3.58Å; A493-K575 HydrophobicContact CB-CG 4.34Å; A493-K575 WeakPolarHBondContact O-CD 3.46Å; A493-K575 WeakPolarHBondContact O-CE 3.26Å; A493-K575 PolarHBondContact O-NZ 3.21Å
494G91.8Very high91.6Very high8 Ų849.1 Ų49.18%0.08225%0.249CC..  trans-113.2-170.8166.700000111.9F497 K575G494-F497 PolarHBondContact N-O 3.13Å; G494-K575 PolarHBondContact O-N 3.37Å
495V92.2Very high91.2Very high41 Ų4146.5 Ų46.525%0.24823%0.232CC..SBendtrans-73.3-42.2179.9179.40000111.6R547 D577V495-R547 HydrophobicContact CG1-CB 3.61Å; V495-R547 WeakPolarHBondContact O-CA 3.42Å; V495-R547 WeakPolarHBondContact O-CB 3.35Å; V495-R547 PolarHBondContact O-N 3.27Å; V495-D577 HydrophobicContact CG1-CB 3.63Å
496T91.9Very high89.9Confident72 Ų7251.6 Ų51.644%0.44227%0.268SS..SBendtrans-122.517-176.6570000113.2R543 N544 L545T496-R543 CarbonylContact O-C 3.5Å; T496-N544 PolarHBondContact O-N 3.49Å; T496-L545 VanDerWaalsContact CA-O 3.29Å; T496-L545 WeakPolarHBondContact CA-O 3.34Å; T496-L545 WeakPolarHBondContact CB-O 3.49Å; T496-L545 PolarHBondContact O-N 3.28Å
497F93.9Very high88.4Confident61 Ų6149.8 Ų49.827%0.26827%0.269SS..EExtended strand (participates in β ladder)trans-152.6153.7-179.369.8-94.8000112.8L492 G494 T541 V542 R543L492-F497 HydrophobicContact CD2-CE2 3.91Å; L492-F497 HydrophobicContact CD2-CZ 4.25Å; L492-F497 HydrophobicContact CG-CE2 3.98Å; G494-F497 PolarHBondContact N-O 3.13Å; F497-T541 HydrophobicContact CB-CG2 3.88Å; F497-T541 HydrophobicContact CD2-CG2 3.66Å; F497-T541 HydrophobicContact CG-CG2 4.03Å; F497-V542 WeakPolarHBondContact CA-O 3.1Å; F497-V542 VanDerWaalsContact CB-O 3.23Å; F497-V542 WeakPolarHBondContact CB-O 3.3Å; F497-R543 HydrophobicContact CB-CG 4.12Å
498L95.5Very high86.7Confident0 Ų049.6 Ų49.60%027%0.269CS..EExtended strand (participates in β ladder)trans-130.7126169.2-65174.4000107.9L490 A493 V542 L545 Y551 F553 F572 T574L490-L498 HydrophobicContact CD1-CB 4.35Å; L490-L498 HydrophobicContact CD1-CD2 3.97Å; A493-L498 HydrophobicContact CB-CD2 3.58Å; L498-V542 PolarHBondContact N-O 2.76Å; L498-V542 PolarHBondContact O-N 3.24Å; L498-L545 HydrophobicContact CB-CD1 3.95Å; L498-L545 HydrophobicContact CD1-CD1 3.92Å; L498-L545 HydrophobicContact CG-CD1 3.7Å; L498-Y551 HydrophobicContact CD1-CD2 4.27Å; L498-F553 HydrophobicContact CB-CZ 4.23Å; L498-F553 HydrophobicContact CD1-CE2 3.56Å; L498-F553 HydrophobicContact CD1-CZ 3.77Å; L498-F572 HydrophobicContact CD1-CB 4.08Å; L498-T574 HydrophobicContact CD1-CG2 4.23Å; L498-T574 HydrophobicContact CD2-CG2 4.15Å; L498-T574 HydrophobicContact CG-CG2 3.92Å
499T95.1Very high85Confident13 Ų1352 Ų528%0.0829%0.285CS..EExtended strand (participates in β ladder)trans-95.6118.9172-54.30000109.2E491 L492 H540 T541E491-T499 HydrophobicContact CB-CG2 4.14Å; E491-T499 PolarHBondContact N-O 3.42Å; L492-T499 PolarHBondContact N-O 3.48Å; L492-T499 PolarHBondContact O-N 3.36Å; T499-H540 WeakPolarHBondContact CA-O 3.23Å; T499-T541 WeakPolarHBondContact OG1-CG2 3.46Å; T499-T541 PolarHBondContact OG1-OG1 3.1Å
500M95.2Very high83.1Confident0 Ų056.1 Ų56.10%030%0.301CS..EExtended strand (participates in β ladder)trans-108.8135.9-177.3-58.1-63.8-63.700108.8P488 E489 L490 W502 L518 S539 H540 F553 V570 F572P488-M500 HydrophobicContact CB-CB 4.43Å; P488-M500 HydrophobicContact CB-CE 3.7Å; P488-M500 HydrophobicContact CG-CE 3.67Å; E489-M500 WeakPolarHBondContact O-CA 3.37Å; L490-M500 HydrophobicContact CD1-SD 4.3Å; M500-W502 HydrophobicContact CB-CE3 4.46Å; M500-W502 HydrophobicContact CB-CZ3 4.15Å; M500-W502 WeakPolarHBondContact O-CZ3 3.43Å; M500-L518 HydrophobicContact CB-CD1 4.42Å; M500-L518 HydrophobicContact CB-CD2 4.03Å; M500-L518 HydrophobicContact CG-CD2 4.11Å; M500-S539 CarbonylContact O-C 3.55Å; M500-S539 VanDerWaalsContact O-CA 3.23Å; M500-S539 WeakPolarHBondContact O-CA 3.36Å; M500-H540 PolarHBondContact N-O 3.34Å; M500-H540 PolarHBondContact O-N 3.2Å; M500-F553 HydrophobicContact CE-CB 3.71Å; M500-F553 HydrophobicContact CE-CD1 4.36Å; M500-F553 HydrophobicContact CE-CD2 3.89Å; M500-F553 HydrophobicContact CE-CG 3.73Å; M500-F553 HydrophobicContact CG-CD1 4.04Å; M500-F553 HydrophobicContact CG-CE1 4.1Å; M500-F553 HydrophobicContact CG-CG 4.3Å; M500-F553 HydrophobicContact CG-CZ 4.43Å; M500-F553 HydrophobicContact SD-CD1 4.41Å; M500-F553 HydrophobicContact SD-CD2 3.95Å; M500-F553 HydrophobicContact SD-CE2 4.12Å; M500-F553 HydrophobicContact SD-CG 4.11Å; M500-F553 HydrophobicContact SD-CZ 4.41Å; M500-V570 HydrophobicContact CE-CG2 4.04Å; M500-F572 HydrophobicContact CE-CD2 3.67Å; M500-F572 HydrophobicContact CE-CE2 3.56Å; M500-F572 HydrophobicContact SD-CD2 3.79Å; M500-F572 HydrophobicContact SD-CE2 4.13Å
501K94.4Very high81.1Confident73 Ų7360.1 Ų60.132%0.31732%0.318SS..EExtended strand (participates in β ladder)trans-124.1146.6175.964-175.4167.288.10111.1P488 E489 E491 L538P488-K501 CarbonylContact C-O 3.55Å; P488-K501 WeakPolarHBondContact CA-O 3.43Å; E489-K501 HydrophobicContact CB-CG 3.99Å; E489-K501 PolarHBondContact N-O 3.46Å; E489-K501 PolarHBondContact O-N 3.23Å; E489-K501 IonicContact OE2-NZ 2.67Å; E489-K501 PolarHBondContact OE2-NZ 3.39Å; E491-K501 HydrophobicContact CB-CD 3.85Å; E491-K501 HydrophobicContact CB-CG 4.15Å; E491-K501 HydrophobicContact CG-CD 4.01Å; K501-L538 CarbonylContact C-O 3.59Å; K501-L538 WeakPolarHBondContact CA-O 3.47Å
502W92.8Very high79.2Confident11 Ų1161 Ų614%0.04233%0.327CS..  trans-140.4169.1-179.651.688.2000111.8P488 M500 Y516 L518 Y533 E537 L538 H540 V555P488-W502 HydrophobicContact CB-CB 4.42Å; P488-W502 HydrophobicContact CB-CE3 4.23Å; M500-W502 HydrophobicContact CB-CE3 4.46Å; M500-W502 HydrophobicContact CB-CZ3 4.15Å; M500-W502 WeakPolarHBondContact O-CZ3 3.43Å; W502-Y516 AromaticContact CD1-CD1 3.79Å; W502-Y516 AromaticContact CD1-CG 3.9Å; W502-Y516 AromaticContact NE1-CD1 3.59Å; W502-Y516 AromaticContact NE1-CD2 3.47Å; W502-Y516 AromaticContact NE1-CG 3.2Å; W502-L518 HydrophobicContact CE3-CD1 4.31Å; W502-L518 HydrophobicContact CH2-CB 4.15Å; W502-L518 HydrophobicContact CH2-CD2 4.36Å; W502-L518 HydrophobicContact CZ3-CB 4.29Å; W502-L518 HydrophobicContact CZ3-CD1 3.97Å; W502-L518 HydrophobicContact CZ3-CD2 3.98Å; W502-L518 HydrophobicContact CZ3-CG 4.3Å; W502-Y533 AromaticContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CE1 4.43Å; W502-Y533 HydrophobicContact CH2-CG 4.49Å; W502-Y533 AromaticContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CE1 4.02Å; W502-E537 VanDerWaalsContact CZ2-O 3.23Å; W502-E537 WeakPolarHBondContact CZ2-O 3.25Å; W502-E537 PolarHBondContact NE1-O 3.49Å; W502-L538 PolarHBondContact N-O 3.47Å; W502-H540 HydrophobicContact CH2-CB 3.69Å; W502-H540 HydrophobicContact CZ3-CB 4.17Å; W502-V555 HydrophobicContact CB-CG1 4.03Å; W502-V555 HydrophobicContact CD2-CG2 3.97Å; W502-V555 HydrophobicContact CE3-CG2 4.44Å; W502-V555 HydrophobicContact CG-CG1 4.23Å; W502-V555 HydrophobicContact CG-CG2 4.12Å
503Q86Confident78.1Confident105 Ų10561.6 Ų61.649%0.49133%0.33SS..  trans-115.5142-174.1-55.9-175.325.800110.6F486 E489F486-Q503 HydrophobicContact CD2-CB 4.4Å; E489-Q503 PolarHBondContact OE1-NE2 3.41Å
504R81.1Confident77.5Confident72 Ų7261.1 Ų61.127%0.27233%0.326SS..  trans-63.9133.2178.8175.2168.4-85.8164.9-9.2111.1S506 E511 Y516 L538R504-S506 PolarHBondContact O-N 3.3Å; R504-E511 PolarHBondContact NH2-O 3.1Å; R504-Y516 WeakPolarHBondContact CA-OH 3.44Å; R504-Y516 WeakPolarHBondContact CB-OH 3.46Å; R504-L538 HydrophobicContact CB-CD2 4.5Å
505P75.1Confident77.4Confident5 Ų565.2 Ų65.23%0.03234%0.339CS..  trans-59.4127.9176.8-23.132.1000112.3L483 P485 S507 S508 A557L483-P505 HydrophobicContact CB-CB 4.22Å; L483-P505 VanDerWaalsContact O-CG 3.28Å; L483-P505 WeakPolarHBondContact O-CG 3.45Å; P485-P505 HydrophobicContact CB-CG 4.24Å; P505-S507 PolarHBondContact O-N 2.8Å; P505-S508 PolarHBondContact O-N 2.93Å; P505-S508 PolarHBondContact O-OG 3.31Å; P505-S508 VanDerWaalsContact O-OG 3.12Å; P505-A557 HydrophobicContact CG-CB 4.28Å
506S60.5Low77.4Confident113 Ų11363.2 Ų63.279%0.7933%0.328SS*.THydrogen-bonded Turntrans-66.93.7-165.2-40.10000117.1R504R504-S506 PolarHBondContact O-N 3.3Å
507S57.6Low77.5Confident77 Ų7760.7 Ų60.754%0.53831%0.311SS..THydrogen-bonded Turntrans-126.426.9-175.6750000113L483 P505L483-S507 VanDerWaalsContact CD1-OG 3.3Å; L483-S507 WeakPolarHBondContact CD1-OG 3.22Å; P505-S507 PolarHBondContact O-N 2.8Å
508S54.6Low77.6Confident38 Ų3857.8 Ų57.827%0.26630%0.298SS..  trans-88.1129.1-177.449.50000113.1P505P505-S508 PolarHBondContact O-N 2.93Å; P505-S508 PolarHBondContact O-OG 3.31Å; P505-S508 VanDerWaalsContact O-OG 3.12Å
509P56.5Low77.5Confident52 Ų5258.9 Ų58.934%0.33830%0.303SS..  trans-83.4125.5173.432.2-31.5000111.7A451A451-P509 HydrophobicContact CB-CB 3.91Å; A451-P509 HydrophobicContact CB-CG 3.9Å
510K55.8Low77.4Confident169 Ų16959.9 Ų59.974%0.73531%0.308SS*.SBendtrans61.1167.5-178.8-74-165.6170.3-1650115.6
511E51.8Low77.3Confident142 Ų14261.9 Ų61.966%0.66432%0.317SS*.SBendtrans-95.8-19.2-161.8-135.5164.2173.300113.9R504R504-E511 PolarHBondContact NH2-O 3.1Å
512D55.4Low77.1Confident127 Ų12760.4 Ų60.468%0.67931%0.311SS*.SBendtrans-109.3-8.6-161.5-41.8-66.6000114.8
513D70.1Confident76.5Confident101 Ų10163.6 Ų63.654%0.5433%0.327SS..SBendtrans-108.116.6-168.5-76.6-50.3000114.4N559D513-N559 WeakPolarHBondContact O-CB 3.31Å
514I81.3Confident76Confident4 Ų462.5 Ų62.52%0.02134%0.343CS..  trans-129.6127.3-178.6-62.2-174000112.5P482 Y516 A557 Y558 N559P482-I514 HydrophobicContact CB-CD1 4.43Å; P482-I514 HydrophobicContact CG-CD1 4.2Å; P482-I514 HydrophobicContact CG-CG1 4.44Å; I514-Y516 HydrophobicContact CG2-CE1 4.24Å; I514-Y516 HydrophobicContact CG2-CE2 4.5Å; I514-A557 HydrophobicContact CG2-CB 4.22Å; I514-Y558 WeakPolarHBondContact CA-O 3.34Å; I514-N559 HydrophobicContact CG1-CB 4.35Å
515Y88.2Confident76Confident93 Ų9360.6 Ų60.637%0.36534%0.341SS..EExtended strand (participates in β ladder)trans-116.8163.3178.6-57.8-92.9000110.7G535 D536 A557 Y558Y515-G535 CarbonylContact C-O 3.53Å; Y515-G535 WeakPolarHBondContact CA-O 3.45Å; Y515-D536 HydrophobicContact CD1-CB 4.04Å; Y515-D536 HydrophobicContact CE1-CB 4.23Å; Y515-A557 CarbonylContact O-C 3.48Å; Y515-A557 VanDerWaalsContact O-CA 3.29Å; Y515-A557 WeakPolarHBondContact O-CA 3.2Å; Y515-Y558 HydrophobicContact CD2-CD2 4.49Å; Y515-Y558 AromaticContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CG-CE1 4.34Å; Y515-Y558 HydrophobicContact CG-CE2 4.07Å; Y515-Y558 AromaticContact CG-CZ 3.82Å; Y515-Y558 PolarHBondContact N-O 2.62Å; Y515-Y558 PolarHBondContact O-N 2.76Å
516Y92.5Very high76.1Confident0 Ų063.9 Ų63.90%038%0.375CS..EExtended strand (participates in β ladder)trans-131.2137-175.3-54.8-81.7000111.4W502 R504 I514 D534 G535 L538 A556 A557W502-Y516 AromaticContact CD1-CD1 3.79Å; W502-Y516 AromaticContact CD1-CG 3.9Å; W502-Y516 AromaticContact NE1-CD1 3.59Å; W502-Y516 AromaticContact NE1-CD2 3.47Å; W502-Y516 AromaticContact NE1-CG 3.2Å; R504-Y516 WeakPolarHBondContact CA-OH 3.44Å; R504-Y516 WeakPolarHBondContact CB-OH 3.46Å; I514-Y516 HydrophobicContact CG2-CE1 4.24Å; I514-Y516 HydrophobicContact CG2-CE2 4.5Å; Y516-D534 WeakPolarHBondContact O-CA 3.43Å; Y516-G535 PolarHBondContact N-O 3.3Å; Y516-G535 PolarHBondContact O-N 3.46Å; Y516-G535 VanDerWaalsContact O-N 3.11Å; Y516-L538 HydrophobicContact CD2-CD2 4.32Å; Y516-L538 HydrophobicContact CE1-CD2 4.44Å; Y516-L538 HydrophobicContact CE2-CD2 3.56Å; Y516-A556 CarbonylContact C-O 3.4Å; Y516-A556 VanDerWaalsContact CA-O 3.32Å; Y516-A556 WeakPolarHBondContact CA-O 3.42Å; Y516-A557 HydrophobicContact CD1-CB 3.92Å; Y516-A557 HydrophobicContact CE1-CB 3.94Å
517I94.2Very high77.1Confident19 Ų1967.2 Ų67.210%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-111.4114.9172-59.9168.4000108E519 P531 Y533 D534 V555 A556 Y558 K563I517-E519 HydrophobicContact CG2-CG 3.83Å; I517-P531 HydrophobicContact CG2-CB 4.23Å; I517-Y533 WeakPolarHBondContact CA-O 3.42Å; I517-D534 HydrophobicContact CG1-CB 4.43Å; I517-D534 WeakPolarHBondContact CG1-OD1 3.41Å; I517-V555 WeakPolarHBondContact O-CA 3.34Å; I517-A556 PolarHBondContact N-O 3.18Å; I517-A556 PolarHBondContact O-N 2.61Å; I517-Y558 HydrophobicContact CD1-CD1 3.89Å; I517-Y558 HydrophobicContact CD1-CE1 3.92Å; I517-Y558 HydrophobicContact CG1-CD1 3.98Å; I517-Y558 HydrophobicContact CG1-CE1 3.81Å; I517-K563 HydrophobicContact CD1-CD 3.99Å
518L95.3Very high78.5Confident0 Ų064.7 Ų64.70%036%0.358CS..EExtended strand (participates in β ladder)trans-89.1116.9170.8-175.371.1000108.8P488 M500 W502 S532 Y533 V542 F553 V555P488-L518 HydrophobicContact CB-CD1 4.31Å; P488-L518 HydrophobicContact CG-CD1 4.13Å; M500-L518 HydrophobicContact CB-CD1 4.42Å; M500-L518 HydrophobicContact CB-CD2 4.03Å; M500-L518 HydrophobicContact CG-CD2 4.11Å; W502-L518 HydrophobicContact CE3-CD1 4.31Å; W502-L518 HydrophobicContact CH2-CB 4.15Å; W502-L518 HydrophobicContact CH2-CD2 4.36Å; W502-L518 HydrophobicContact CZ3-CB 4.29Å; W502-L518 HydrophobicContact CZ3-CD1 3.97Å; W502-L518 HydrophobicContact CZ3-CD2 3.98Å; W502-L518 HydrophobicContact CZ3-CG 4.3Å; L518-S532 PolarHBondContact O-N 2.81Å; L518-S532 PolarHBondContact O-OG 3.18Å; L518-Y533 PolarHBondContact N-O 3.04Å; L518-Y533 VanDerWaalsContact N-O 3.08Å; L518-Y533 PolarHBondContact O-N 2.86Å; L518-V542 HydrophobicContact CD2-CG2 3.86Å; L518-F553 HydrophobicContact CD1-CD1 4.32Å; L518-F553 HydrophobicContact CD2-CD1 4.23Å; L518-F553 HydrophobicContact CG-CD1 4.29Å; L518-V555 HydrophobicContact CD1-CB 4.14Å
519E93.9Very high80.3Confident22 Ų2264.9 Ų64.910%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-105.9134178.9-56.6175.8-179.300109.9I517 F529 Q530 F553 R554 K563I517-E519 HydrophobicContact CG2-CG 3.83Å; E519-F529 HydrophobicContact CB-CB 4.16Å; E519-F529 HydrophobicContact CB-CD1 4.22Å; E519-Q530 CarbonylContact C-O 3.48Å; E519-Q530 VanDerWaalsContact CA-O 3.31Å; E519-Q530 WeakPolarHBondContact CA-O 3.34Å; E519-F553 WeakPolarHBondContact O-CA 3.44Å; E519-R554 HydrophobicContact CB-CG 4Å; E519-R554 PolarHBondContact N-O 2.66Å; E519-R554 PolarHBondContact O-N 2.83Å; E519-R554 IonicContact OE2-CZ 2.91Å; E519-R554 IonicContact OE2-NE 2.69Å; E519-R554 PolarHBondContact OE2-NE 2.8Å; E519-R554 IonicContact OE2-NH2 3.59Å; E519-R554 PolarHBondContact OE2-NH2 2.86Å; E519-K563 IonicContact OE1-NZ 2.7Å; E519-K563 PolarHBondContact OE1-NZ 3.4Å
520M94.3Very high82Confident35 Ų3567.4 Ų67.417%0.17236%0.362CS..EExtended strand (participates in β ladder)trans-127143-175.2-178.9-175.768.200111.4F529 Q530 V542 L545 Y551 K552 F553M520-F529 WeakPolarHBondContact O-CA 2.98Å; M520-Q530 PolarHBondContact N-O 2.66Å; M520-Q530 PolarHBondContact O-N 2.8Å; M520-V542 HydrophobicContact CE-CG1 3.94Å; M520-V542 HydrophobicContact SD-CG1 3.85Å; M520-L545 HydrophobicContact CE-CD2 3.74Å; M520-L545 HydrophobicContact SD-CD2 3.63Å; M520-Y551 HydrophobicContact CE-CD1 4.34Å; M520-Y551 HydrophobicContact CG-CD1 4.14Å; M520-Y551 HydrophobicContact SD-CD1 3.7Å; M520-Y551 HydrophobicContact SD-CE1 4.38Å; M520-Y551 HydrophobicContact SD-CG 4.25Å; M520-K552 CarbonylContact C-O 3.58Å; M520-K552 VanDerWaalsContact CA-O 3.29Å; M520-K552 WeakPolarHBondContact CA-O 3.3Å; M520-F553 HydrophobicContact CB-CD1 3.88Å; M520-F553 HydrophobicContact CB-CE1 3.77Å; M520-F553 HydrophobicContact CG-CD1 3.92Å; M520-F553 HydrophobicContact CG-CE1 3.46Å; M520-F553 VanDerWaalsContact CG-CE1 3.46Å; M520-F553 HydrophobicContact CG-CZ 3.82Å; M520-F553 HydrophobicContact SD-CE1 3.52Å; M520-F553 VanDerWaalsContact SD-CE1 3.52Å; M520-F553 HydrophobicContact SD-CZ 3.63Å
521E93.2Very high83.6Confident41 Ų4163.7 Ų63.719%0.19235%0.354CS..EExtended strand (participates in β ladder)trans-124.4132.7168.8178.8170.6-160.100110.6G528 F529 Y551 K552E521-G528 WeakPolarHBondContact OE1-CA 3.36Å; E521-F529 HydrophobicContact CB-CD1 4.21Å; E521-F529 HydrophobicContact CB-CD2 4.34Å; E521-F529 HydrophobicContact CB-CE1 4.28Å; E521-F529 HydrophobicContact CB-CE2 4.41Å; E521-F529 HydrophobicContact CB-CG 4.24Å; E521-F529 HydrophobicContact CB-CZ 4.37Å; E521-F529 WeakPolarHBondContact OE2-CE2 3.31Å; E521-Y551 WeakPolarHBondContact O-CA 3.46Å; E521-K552 HydrophobicContact CB-CB 4.37Å; E521-K552 PolarHBondContact N-O 2.9Å; E521-K552 PolarHBondContact O-N 2.89Å
522E88.4Confident85.5Confident42 Ų4258.6 Ų58.620%0.19634%0.335CS..EExtended strand (participates in β ladder)trans-81.9123.4167-177.2173.695.500109.2G524 S525 R546 T549 Y551E522-G524 PolarHBondContact O-N 2.94Å; E522-S525 VanDerWaalsContact O-CB 3.24Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.99Å; E522-S525 PolarHBondContact O-OG 3.41Å; E522-R546 IonicContact OE1-CZ 3.16Å; E522-R546 IonicContact OE1-NE 3.27Å; E522-R546 PolarHBondContact OE1-NE 2.88Å; E522-R546 IonicContact OE1-NH2 2.88Å; E522-R546 PolarHBondContact OE1-NH2 3.26Å; E522-R546 IonicContact OE2-CZ 3.16Å; E522-R546 IonicContact OE2-NE 2.77Å; E522-R546 PolarHBondContact OE2-NE 2.94Å; E522-R546 IonicContact OE2-NH2 2.7Å; E522-T549 HydrophobicContact CG-CG2 4.31Å; E522-Y551 HydrophobicContact CB-CD1 3.99Å; E522-Y551 HydrophobicContact CB-CE1 3.56Å; E522-Y551 HydrophobicContact CG-CD1 4.31Å; E522-Y551 HydrophobicContact CG-CE1 3.6Å; E522-Y551 WeakPolarHBondContact OE2-CE1 3.27Å; E522-Y551 PolarHBondContact OE2-OH 2.76Å
523E81.1Confident87.4Confident79 Ų7953.8 Ų53.837%0.36931%0.307SS..THydrogen-bonded Turntrans-62.2124.7-175.1-176.5167.2-113.400111.8S525 K550 K552E523-S525 VanDerWaalsContact C-N 3.34Å; E523-K550 HydrophobicContact CB-CB 4.2Å; E523-K550 PolarHBondContact N-O 2.98Å; E523-K550 IonicContact OE1-NZ 3.78Å; E523-K550 IonicContact OE2-NZ 3.37Å; E523-K550 PolarHBondContact OE2-NZ 2.92Å; E523-K552 WeakPolarHBondContact OE1-CE 3.47Å; E523-K552 IonicContact OE1-NZ 2.79Å; E523-K552 PolarHBondContact OE1-NZ 3.07Å
524G74.6Confident88.5Confident81 Ų8153.6 Ų53.684%0.83531%0.306SS*.THydrogen-bonded Turntrans84.3-1.8-177.300000115.3E522E522-G524 PolarHBondContact O-N 2.94Å
525S81.2Confident88.9Confident33 Ų3353.9 Ų53.923%0.23131%0.31CS..  trans-72-26.5179.767.30000114.4E522 E523 Y527E522-S525 VanDerWaalsContact O-CB 3.24Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.99Å; E522-S525 PolarHBondContact O-OG 3.41Å; E523-S525 VanDerWaalsContact C-N 3.34Å; S525-Y527 VanDerWaalsContact C-N 3.26Å; S525-Y527 WeakPolarHBondContact O-CD2 3.31Å; S525-Y527 WeakPolarHBondContact O-CE2 3.47Å; S525-Y527 PolarHBondContact O-N 2.82Å
526G78.1Confident88.9Confident73 Ų7354.5 Ų54.575%0.75332%0.32SS*.SBendtrans78.1-2.6177.500000115.8
527Y81.8Confident88.7Confident184 Ų18459.6 Ų59.672%0.72234%0.344SS*.SBendtrans-87.7-4.3178.9-61.9-77.3000114.1S525 Q530S525-Y527 VanDerWaalsContact C-N 3.26Å; S525-Y527 WeakPolarHBondContact O-CD2 3.31Å; S525-Y527 WeakPolarHBondContact O-CE2 3.47Å; S525-Y527 PolarHBondContact O-N 2.82Å; Y527-Q530 PolarHBondContact O-NE2 2.9Å
528G87.3Confident88.6Confident24 Ų2462.2 Ų62.225%0.24736%0.357CS..  trans67.5-166-177.400000113.5E521 Q530E521-G528 WeakPolarHBondContact OE1-CA 3.36Å; G528-Q530 PolarHBondContact O-N 3.33Å
529F92Very high88.5Confident42 Ų4264.8 Ų64.818%0.18438%0.376CS..  trans-69.2119.4175.8-75.1-88.8000111.7E519 M520 E521 K552 R554 V569E519-F529 HydrophobicContact CB-CB 4.16Å; E519-F529 HydrophobicContact CB-CD1 4.22Å; M520-F529 WeakPolarHBondContact O-CA 2.98Å; E521-F529 HydrophobicContact CB-CD1 4.21Å; E521-F529 HydrophobicContact CB-CD2 4.34Å; E521-F529 HydrophobicContact CB-CE1 4.28Å; E521-F529 HydrophobicContact CB-CE2 4.41Å; E521-F529 HydrophobicContact CB-CG 4.24Å; E521-F529 HydrophobicContact CB-CZ 4.37Å; E521-F529 WeakPolarHBondContact OE2-CE2 3.31Å; F529-K552 HydrophobicContact CE1-CB 4.17Å; F529-K552 HydrophobicContact CZ-CB 3.97Å; F529-R554 HydrophobicContact CD1-CG 3.81Å; F529-R554 VanDerWaalsContact CD2-NH1 3.3Å; F529-R554 HydrophobicContact CE1-CB 4.43Å; F529-R554 HydrophobicContact CE1-CG 3.9Å; F529-V569 HydrophobicContact CE1-CG1 4.37Å; F529-V569 HydrophobicContact CE1-CG2 4.25Å; F529-V569 HydrophobicContact CE2-CG2 4.2Å; F529-V569 HydrophobicContact CZ-CB 4.35Å; F529-V569 HydrophobicContact CZ-CG1 3.76Å; F529-V569 HydrophobicContact CZ-CG2 3.57Å
530Q91.1Very high88.5Confident105 Ų10565.7 Ų65.749%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-113.4146.5176.4-63.3-61.4-3600110.4E519 M520 Y527 G528 S532E519-Q530 CarbonylContact C-O 3.48Å; E519-Q530 VanDerWaalsContact CA-O 3.31Å; E519-Q530 WeakPolarHBondContact CA-O 3.34Å; M520-Q530 PolarHBondContact N-O 2.66Å; M520-Q530 PolarHBondContact O-N 2.8Å; Y527-Q530 PolarHBondContact O-NE2 2.9Å; G528-Q530 PolarHBondContact O-N 3.33Å; Q530-S532 PolarHBondContact O-N 2.86Å
531P90.9Very high88.6Confident90 Ų9065.5 Ų65.558%0.58438%0.381SS*.EExtended strand (participates in β ladder)trans-65.8133.8176.328.4-34.1000110.9I517I517-P531 HydrophobicContact CG2-CB 4.23Å
532S91Very high88.7Confident35 Ų3564 Ų6425%0.24538%0.375CS..EExtended strand (participates in β ladder)trans-120-24.4179.562.70000112.8L518 Q530L518-S532 PolarHBondContact O-N 2.81Å; L518-S532 PolarHBondContact O-OG 3.18Å; Q530-S532 PolarHBondContact O-N 2.86Å
533Y94.7Very high88.9Confident26 Ų2669.8 Ų69.810%0.10239%0.394CS..EExtended strand (participates in β ladder)trans-141.7149.4170.2-179.7-107.4000109.7W502 I517 L518 G535 D536 E537 H540W502-Y533 AromaticContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CE1 4.43Å; W502-Y533 HydrophobicContact CH2-CG 4.49Å; W502-Y533 AromaticContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CE1 4.02Å; I517-Y533 WeakPolarHBondContact CA-O 3.42Å; L518-Y533 PolarHBondContact N-O 3.04Å; L518-Y533 VanDerWaalsContact N-O 3.08Å; L518-Y533 PolarHBondContact O-N 2.86Å; Y533-G535 WeakPolarHBondContact OH-CA 3.47Å; Y533-D536 PolarHBondContact OH-N 2.85Å; Y533-E537 HydrophobicContact CE1-CB 4.39Å; Y533-E537 WeakPolarHBondContact CE2-OE2 3.42Å; Y533-E537 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E537 WeakPolarHBondContact OH-CB 3.06Å; Y533-E537 WeakPolarHBondContact OH-CG 3.36Å; Y533-E537 PolarHBondContact OH-N 3.35Å; Y533-E537 PolarHBondContact OH-OE2 3.25Å; Y533-H540 HydrophobicContact CD2-CB 4.11Å; Y533-H540 AromaticContact CD2-CE1 3.63Å; Y533-H540 AromaticContact CD2-CG 3.61Å; Y533-H540 AromaticContact CD2-ND1 3.12Å; Y533-H540 WeakPolarHBondContact CD2-ND1 3.27Å; Y533-H540 AromaticContact CE2-ND1 3.7Å; Y533-H540 HydrophobicContact CG-CB 3.99Å; Y533-H540 AromaticContact CG-CG 3.79Å; Y533-H540 AromaticContact CG-ND1 3.8Å
534D93Very high89.3Confident97 Ų9773.4 Ų73.452%0.51942%0.416SS..EExtended strand (participates in β ladder)trans-150.5107.9173.2-163.3-5.3000107.7Y516 I517 Y558Y516-D534 WeakPolarHBondContact O-CA 3.43Å; I517-D534 HydrophobicContact CG1-CB 4.43Å; I517-D534 WeakPolarHBondContact CG1-OD1 3.41Å; D534-Y558 VanDerWaalsContact OD1-CE1 3.26Å; D534-Y558 WeakPolarHBondContact OD1-CE1 3.42Å; D534-Y558 PolarHBondContact OD1-OH 3.02Å
535G89.7Confident90.2Very high11 Ų1170 Ų7011%0.11338%0.379CS..EExtended strand (participates in β ladder)trans168.5-175.4-171.200000114.3Y515 Y516 Y533Y515-G535 CarbonylContact C-O 3.53Å; Y515-G535 WeakPolarHBondContact CA-O 3.45Å; Y516-G535 PolarHBondContact N-O 3.3Å; Y516-G535 PolarHBondContact O-N 3.46Å; Y516-G535 VanDerWaalsContact O-N 3.11Å; Y533-G535 WeakPolarHBondContact OH-CA 3.47Å
536D87.9Confident90.6Very high106 Ų10675.8 Ų75.857%0.56740%0.396SS*.SBendtrans-93-11-171.958.8-32.6000115.1Y515 Y533Y515-D536 HydrophobicContact CD1-CB 4.04Å; Y515-D536 HydrophobicContact CE1-CB 4.23Å; Y533-D536 PolarHBondContact OH-N 2.85Å
537E89.6Confident91.1Very high106 Ų10676.1 Ų76.150%0.49537%0.374SS..  trans-64.9150.1179.6-58.1166.7129.100112.1W502 Y533W502-E537 VanDerWaalsContact CZ2-O 3.23Å; W502-E537 WeakPolarHBondContact CZ2-O 3.25Å; W502-E537 PolarHBondContact NE1-O 3.49Å; Y533-E537 HydrophobicContact CE1-CB 4.39Å; Y533-E537 WeakPolarHBondContact CE2-OE2 3.42Å; Y533-E537 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E537 WeakPolarHBondContact OH-CB 3.06Å; Y533-E537 WeakPolarHBondContact OH-CG 3.36Å; Y533-E537 PolarHBondContact OH-N 3.35Å; Y533-E537 PolarHBondContact OH-OE2 3.25Å
538L91Very high91.4Very high74 Ų7470 Ų7039%0.38736%0.358SS..SBendtrans-94.22.2176-69.7176.2000113.5K501 W502 R504 Y516K501-L538 CarbonylContact C-O 3.59Å; K501-L538 WeakPolarHBondContact CA-O 3.47Å; W502-L538 PolarHBondContact N-O 3.47Å; R504-L538 HydrophobicContact CB-CD2 4.5Å; Y516-L538 HydrophobicContact CD2-CD2 4.32Å; Y516-L538 HydrophobicContact CE1-CD2 4.44Å; Y516-L538 HydrophobicContact CE2-CD2 3.56Å
539S93.6Very high91.5Very high55 Ų5570.5 Ų70.539%0.38536%0.357SS..EExtended strand (participates in β ladder)trans-148.3144175.659.20000111.5M500M500-S539 CarbonylContact O-C 3.55Å; M500-S539 VanDerWaalsContact O-CA 3.23Å; M500-S539 WeakPolarHBondContact O-CA 3.36Å
540H94.8Very high91.5Very high41 Ų4172.5 Ų72.519%0.1937%0.365CS..EExtended strand (participates in β ladder)trans-145.7137.3177.5-174.179.2000112.7T499 M500 W502 Y533T499-H540 WeakPolarHBondContact CA-O 3.23Å; M500-H540 PolarHBondContact N-O 3.34Å; M500-H540 PolarHBondContact O-N 3.2Å; W502-H540 HydrophobicContact CH2-CB 3.69Å; W502-H540 HydrophobicContact CZ3-CB 4.17Å; Y533-H540 HydrophobicContact CD2-CB 4.11Å; Y533-H540 AromaticContact CD2-CE1 3.63Å; Y533-H540 AromaticContact CD2-CG 3.61Å; Y533-H540 AromaticContact CD2-ND1 3.12Å; Y533-H540 WeakPolarHBondContact CD2-ND1 3.27Å; Y533-H540 AromaticContact CE2-ND1 3.7Å; Y533-H540 HydrophobicContact CG-CB 3.99Å; Y533-H540 AromaticContact CG-CG 3.79Å; Y533-H540 AromaticContact CG-ND1 3.8Å
541T96Very high91.6Very high30 Ų3067.6 Ų67.618%0.18434%0.342CS..EExtended strand (participates in β ladder)trans-96.399.9173.3-53.30000110.9F497 T499 R543F497-T541 HydrophobicContact CB-CG2 3.88Å; F497-T541 HydrophobicContact CD2-CG2 3.66Å; F497-T541 HydrophobicContact CG-CG2 4.03Å; T499-T541 WeakPolarHBondContact OG1-CG2 3.46Å; T499-T541 PolarHBondContact OG1-OG1 3.1Å; T541-R543 HydrophobicContact CG2-CG 3.91Å; T541-R543 PolarHBondContact O-N 3.39Å; T541-R543 PolarHBondContact O-NH1 2.79Å
542V94.1Very high91.8Very high11 Ų1165 Ų657%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-72.4125.3169.6-170.30000108.5F497 L498 L518 M520 L545 F553F497-V542 WeakPolarHBondContact CA-O 3.1Å; F497-V542 VanDerWaalsContact CB-O 3.23Å; F497-V542 WeakPolarHBondContact CB-O 3.3Å; L498-V542 PolarHBondContact N-O 2.76Å; L498-V542 PolarHBondContact O-N 3.24Å; L518-V542 HydrophobicContact CD2-CG2 3.86Å; M520-V542 HydrophobicContact CE-CG1 3.94Å; M520-V542 HydrophobicContact SD-CG1 3.85Å; V542-L545 HydrophobicContact CG1-CD2 3.87Å; V542-L545 HydrophobicContact CG1-CG 4.42Å; V542-F553 HydrophobicContact CG2-CE1 4.1Å
543R92.7Very high92Very high162 Ų16263.3 Ų63.361%0.61131%0.31SS*.EExtended strand (participates in β ladder)trans-115.3172.9-174.5-63.8178.8179.789.5-5.4111.5T496 F497 T541 L545T496-R543 CarbonylContact O-C 3.5Å; F497-R543 HydrophobicContact CB-CG 4.12Å; T541-R543 HydrophobicContact CG2-CG 3.91Å; T541-R543 PolarHBondContact O-N 3.39Å; T541-R543 PolarHBondContact O-NH1 2.79Å; R543-L545 PolarHBondContact O-N 2.96Å
544N91.3Very high92Very high155 Ų15565.1 Ų65.183%0.82932%0.317SS*.SBendtrans62.624.6-177.8-52.1-34.4000113.9T496T496-N544 PolarHBondContact O-N 3.49Å
545L91.8Very high92.1Very high10 Ų1060.5 Ų60.55%0.05229%0.292CS..PPolyproline II helixtrans-71.7154.2171.8-55.3-176.6000110.4T496 L498 M520 V542 R543 Y551 T574T496-L545 VanDerWaalsContact CA-O 3.29Å; T496-L545 WeakPolarHBondContact CA-O 3.34Å; T496-L545 WeakPolarHBondContact CB-O 3.49Å; T496-L545 PolarHBondContact O-N 3.28Å; L498-L545 HydrophobicContact CB-CD1 3.95Å; L498-L545 HydrophobicContact CD1-CD1 3.92Å; L498-L545 HydrophobicContact CG-CD1 3.7Å; M520-L545 HydrophobicContact CE-CD2 3.74Å; M520-L545 HydrophobicContact SD-CD2 3.63Å; V542-L545 HydrophobicContact CG1-CD2 3.87Å; V542-L545 HydrophobicContact CG1-CG 4.42Å; R543-L545 PolarHBondContact O-N 2.96Å; L545-Y551 HydrophobicContact CB-CD2 4.49Å; L545-Y551 HydrophobicContact CB-CE2 3.8Å; L545-Y551 HydrophobicContact CD1-CD2 4.17Å; L545-Y551 HydrophobicContact CD1-CE2 4.31Å; L545-Y551 HydrophobicContact CD1-CG 4.5Å; L545-Y551 HydrophobicContact CD2-CD1 4.18Å; L545-Y551 HydrophobicContact CD2-CE1 3.87Å; L545-Y551 HydrophobicContact CD2-CE2 4.31Å; L545-Y551 HydrophobicContact CG-CE2 4.37Å; L545-T574 HydrophobicContact CB-CG2 3.81Å; L545-T574 HydrophobicContact CD1-CG2 3.94Å
546R89.3Confident92.2Very high155 Ų15560 Ų6059%0.58529%0.287SS*.PPolyproline II helixtrans-73.6144169.9-54.7179.6-155-127.210.7109.2E522 T549 Y551 T574E522-R546 IonicContact OE1-CZ 3.16Å; E522-R546 IonicContact OE1-NE 3.27Å; E522-R546 PolarHBondContact OE1-NE 2.88Å; E522-R546 IonicContact OE1-NH2 2.88Å; E522-R546 PolarHBondContact OE1-NH2 3.26Å; E522-R546 IonicContact OE2-CZ 3.16Å; E522-R546 IonicContact OE2-NE 2.77Å; E522-R546 PolarHBondContact OE2-NE 2.94Å; E522-R546 IonicContact OE2-NH2 2.7Å; R546-T549 HydrophobicContact CB-CG2 4.22Å; R546-T549 WeakPolarHBondContact CB-OG1 3.45Å; R546-Y551 WeakPolarHBondContact CB-OH 3.33Å; R546-Y551 WeakPolarHBondContact CG-OH 3.44Å; R546-Y551 PolarHBondContact N-OH 3.01Å; R546-T574 WeakPolarHBondContact O-CB 3.37Å; R546-T574 WeakPolarHBondContact O-CG2 3.5Å; R546-T574 PolarHBondContact O-OG1 2.86Å
547R89.1Confident92.2Very high79 Ų7954.9 Ų54.930%0.29826%0.26SS..THydrogen-bonded Turntrans-69.4154.8172.970.8-165.8174.2-168.4-6.6112.3V495 T549 T574 D605 G607V495-R547 HydrophobicContact CG1-CB 3.61Å; V495-R547 WeakPolarHBondContact O-CA 3.42Å; V495-R547 WeakPolarHBondContact O-CB 3.35Å; V495-R547 PolarHBondContact O-N 3.27Å; R547-T549 PolarHBondContact O-N 3.36Å; R547-T549 PolarHBondContact O-OG1 3.43Å; R547-T574 VanDerWaalsContact C-OG1 3.27Å; R547-T574 WeakPolarHBondContact CA-OG1 3.46Å; R547-D605 IonicContact CZ-OD1 3.79Å; R547-D605 IonicContact CZ-OD2 2.61Å; R547-D605 IonicContact NH1-OD1 2.7Å; R547-D605 PolarHBondContact NH1-OD1 2.85Å; R547-D605 IonicContact NH1-OD2 2.72Å; R547-D605 PolarHBondContact NH1-OD2 3.09Å; R547-D605 IonicContact NH2-OD1 3.55Å; R547-D605 PolarHBondContact NH2-OD1 3.39Å; R547-D605 IonicContact NH2-OD2 2.64Å; R547-D605 PolarHBondContact NH2-OD2 3.11Å; R547-G607 VanDerWaalsContact CD-O 3.27Å; R547-G607 WeakPolarHBondContact CD-O 3.47Å
548S88.9Confident92.1Very high56 Ų5652.9 Ų52.939%0.39225%0.248SC..THydrogen-bonded Turntrans4736.5178.8-148.80000113.7T574 K575 G608S548-T574 WeakPolarHBondContact CA-O 3.41Å; S548-T574 PolarHBondContact N-O 3.29Å; S548-T574 PolarHBondContact N-OG1 2.86Å; S548-T574 VanDerWaalsContact N-OG1 3.08Å; S548-K575 PolarHBondContact N-O 3.26Å; S548-G608 VanDerWaalsContact CB-O 3.26Å; S548-G608 WeakPolarHBondContact CB-O 3.49Å; S548-G608 PolarHBondContact OG-O 2.77Å
549T89.8Confident91.7Very high34 Ų3450.1 Ų50.121%0.20923%0.234CC..  trans-125.7139.8-172.2-61.70000109.7E522 R546 R547 Y551 I573 T574E522-T549 HydrophobicContact CG-CG2 4.31Å; R546-T549 HydrophobicContact CB-CG2 4.22Å; R546-T549 WeakPolarHBondContact CB-OG1 3.45Å; R547-T549 PolarHBondContact O-N 3.36Å; R547-T549 PolarHBondContact O-OG1 3.43Å; T549-Y551 HydrophobicContact CG2-CD2 4.42Å; T549-Y551 HydrophobicContact CG2-CE2 3.69Å; T549-Y551 WeakPolarHBondContact O-CD2 3.26Å; T549-I573 WeakPolarHBondContact O-CA 3.45Å; T549-T574 PolarHBondContact N-OG1 2.88Å; T549-T574 PolarHBondContact O-N 2.97Å; T549-T574 PolarHBondContact O-OG1 3.07Å
550K91.8Very high90.9Very high84 Ų8452.4 Ų52.437%0.36525%0.25SC..EExtended strand (participates in β ladder)trans-84.4133.1-180-49.8-141.5-136.8920111.5E523 I573E523-K550 HydrophobicContact CB-CB 4.2Å; E523-K550 PolarHBondContact N-O 2.98Å; E523-K550 IonicContact OE1-NZ 3.78Å; E523-K550 IonicContact OE2-NZ 3.37Å; E523-K550 PolarHBondContact OE2-NZ 2.92Å; K550-I573 HydrophobicContact CD-CD1 3.87Å; K550-I573 HydrophobicContact CD-CG1 4.02Å; K550-I573 HydrophobicContact CG-CD1 4.11Å; K550-I573 HydrophobicContact CG-CG1 4Å
551Y93.3Very high90Very high3 Ų355.3 Ų55.31%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-125.3135.7175.2-68.5-84.2000109.8L498 M520 E521 E522 L545 R546 T549 F553 F572 T574L498-Y551 HydrophobicContact CD1-CD2 4.27Å; M520-Y551 HydrophobicContact CE-CD1 4.34Å; M520-Y551 HydrophobicContact CG-CD1 4.14Å; M520-Y551 HydrophobicContact SD-CD1 3.7Å; M520-Y551 HydrophobicContact SD-CE1 4.38Å; M520-Y551 HydrophobicContact SD-CG 4.25Å; E521-Y551 WeakPolarHBondContact O-CA 3.46Å; E522-Y551 HydrophobicContact CB-CD1 3.99Å; E522-Y551 HydrophobicContact CB-CE1 3.56Å; E522-Y551 HydrophobicContact CG-CD1 4.31Å; E522-Y551 HydrophobicContact CG-CE1 3.6Å; E522-Y551 WeakPolarHBondContact OE2-CE1 3.27Å; E522-Y551 PolarHBondContact OE2-OH 2.76Å; L545-Y551 HydrophobicContact CB-CD2 4.49Å; L545-Y551 HydrophobicContact CB-CE2 3.8Å; L545-Y551 HydrophobicContact CD1-CD2 4.17Å; L545-Y551 HydrophobicContact CD1-CE2 4.31Å; L545-Y551 HydrophobicContact CD1-CG 4.5Å; L545-Y551 HydrophobicContact CD2-CD1 4.18Å; L545-Y551 HydrophobicContact CD2-CE1 3.87Å; L545-Y551 HydrophobicContact CD2-CE2 4.31Å; L545-Y551 HydrophobicContact CG-CE2 4.37Å; R546-Y551 WeakPolarHBondContact CB-OH 3.33Å; R546-Y551 WeakPolarHBondContact CG-OH 3.44Å; R546-Y551 PolarHBondContact N-OH 3.01Å; T549-Y551 HydrophobicContact CG2-CD2 4.42Å; T549-Y551 HydrophobicContact CG2-CE2 3.69Å; T549-Y551 WeakPolarHBondContact O-CD2 3.26Å; Y551-F553 VanDerWaalsContact CB-CE2 3.5Å; Y551-F572 PolarHBondContact N-O 2.79Å; Y551-F572 PolarHBondContact O-N 3.5Å; Y551-T574 HydrophobicContact CD2-CG2 4.22Å; Y551-T574 HydrophobicContact CE2-CG2 4.1Å
552K94.3Very high89Confident34 Ų3455.3 Ų55.315%0.14827%0.269CS..EExtended strand (participates in β ladder)trans-102.5134.3178.1-47.8-176.2-167.3-900108.5M520 E521 E523 F529 V569 V570 E571M520-K552 CarbonylContact C-O 3.58Å; M520-K552 VanDerWaalsContact CA-O 3.29Å; M520-K552 WeakPolarHBondContact CA-O 3.3Å; E521-K552 HydrophobicContact CB-CB 4.37Å; E521-K552 PolarHBondContact N-O 2.9Å; E521-K552 PolarHBondContact O-N 2.89Å; E523-K552 WeakPolarHBondContact OE1-CE 3.47Å; E523-K552 IonicContact OE1-NZ 2.79Å; E523-K552 PolarHBondContact OE1-NZ 3.07Å; F529-K552 HydrophobicContact CE1-CB 4.17Å; F529-K552 HydrophobicContact CZ-CB 3.97Å; K552-V569 HydrophobicContact CB-CG1 3.9Å; K552-V570 CarbonylContact C-O 3.47Å; K552-V570 VanDerWaalsContact CA-O 3.31Å; K552-V570 WeakPolarHBondContact CA-O 3.38Å; K552-E571 HydrophobicContact CG-CG 4.1Å; K552-E571 VanDerWaalsContact NZ-CD 3.32Å; K552-E571 IonicContact NZ-OE1 3.49Å; K552-E571 PolarHBondContact NZ-OE1 2.9Å; K552-E571 IonicContact NZ-OE2 3.61Å
553F95.3Very high88.5Confident0 Ų059.2 Ų59.20%029%0.285CS..EExtended strand (participates in β ladder)trans-127.1149.7-177.6-63.2-91.2000112P488 L498 M500 L518 E519 M520 V542 Y551 V569 V570 F572P488-F553 HydrophobicContact CG-CB 4.15Å; L498-F553 HydrophobicContact CB-CZ 4.23Å; L498-F553 HydrophobicContact CD1-CE2 3.56Å; L498-F553 HydrophobicContact CD1-CZ 3.77Å; M500-F553 HydrophobicContact CE-CB 3.71Å; M500-F553 HydrophobicContact CE-CD1 4.36Å; M500-F553 HydrophobicContact CE-CD2 3.89Å; M500-F553 HydrophobicContact CE-CG 3.73Å; M500-F553 HydrophobicContact CG-CD1 4.04Å; M500-F553 HydrophobicContact CG-CE1 4.1Å; M500-F553 HydrophobicContact CG-CG 4.3Å; M500-F553 HydrophobicContact CG-CZ 4.43Å; M500-F553 HydrophobicContact SD-CD1 4.41Å; M500-F553 HydrophobicContact SD-CD2 3.95Å; M500-F553 HydrophobicContact SD-CE2 4.12Å; M500-F553 HydrophobicContact SD-CG 4.11Å; M500-F553 HydrophobicContact SD-CZ 4.41Å; L518-F553 HydrophobicContact CD1-CD1 4.32Å; L518-F553 HydrophobicContact CD2-CD1 4.23Å; L518-F553 HydrophobicContact CG-CD1 4.29Å; E519-F553 WeakPolarHBondContact O-CA 3.44Å; M520-F553 HydrophobicContact CB-CD1 3.88Å; M520-F553 HydrophobicContact CB-CE1 3.77Å; M520-F553 HydrophobicContact CG-CD1 3.92Å; M520-F553 HydrophobicContact CG-CE1 3.46Å; M520-F553 VanDerWaalsContact CG-CE1 3.46Å; M520-F553 HydrophobicContact CG-CZ 3.82Å; M520-F553 HydrophobicContact SD-CE1 3.52Å; M520-F553 VanDerWaalsContact SD-CE1 3.52Å; M520-F553 HydrophobicContact SD-CZ 3.63Å; V542-F553 HydrophobicContact CG2-CE1 4.1Å; Y551-F553 VanDerWaalsContact CB-CE2 3.5Å; F553-V569 WeakPolarHBondContact O-CA 3.42Å; F553-V570 HydrophobicContact CB-CG2 3.95Å; F553-V570 PolarHBondContact N-O 2.88Å; F553-V570 PolarHBondContact O-N 3.16Å; F553-F572 HydrophobicContact CD2-CD2 4.28Å
554R94.4Very high88.3Confident64 Ų6452 Ų5224%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-150.4153.3166.666.8-169-167.7-1641.5109.5E519 F529 P566 S567 V569E519-R554 HydrophobicContact CB-CG 4Å; E519-R554 PolarHBondContact N-O 2.66Å; E519-R554 PolarHBondContact O-N 2.83Å; E519-R554 IonicContact OE2-CZ 2.91Å; E519-R554 IonicContact OE2-NE 2.69Å; E519-R554 PolarHBondContact OE2-NE 2.8Å; E519-R554 IonicContact OE2-NH2 3.59Å; E519-R554 PolarHBondContact OE2-NH2 2.86Å; F529-R554 HydrophobicContact CD1-CG 3.81Å; F529-R554 VanDerWaalsContact CD2-NH1 3.3Å; F529-R554 HydrophobicContact CE1-CB 4.43Å; F529-R554 HydrophobicContact CE1-CG 3.9Å; R554-P566 HydrophobicContact CB-CB 4.41Å; R554-P566 HydrophobicContact CG-CB 4.08Å; R554-S567 WeakPolarHBondContact CA-OG 3.48Å; R554-V569 HydrophobicContact CB-CG2 4.36Å
555V94.8Very high88.1Confident0 Ų050.6 Ų50.60%025%0.252CS..EExtended strand (participates in β ladder)trans-125.5145.1179.965.70000110.8P485 P488 W502 I517 L518 P566 S567P485-V555 HydrophobicContact CB-CG1 4.13Å; P485-V555 HydrophobicContact CG-CB 4.42Å; P485-V555 HydrophobicContact CG-CG1 3.68Å; P485-V555 HydrophobicContact CG-CG2 4.48Å; P485-V555 VanDerWaalsContact CG-O 3.28Å; P485-V555 WeakPolarHBondContact CG-O 3.34Å; P488-V555 HydrophobicContact CB-CG1 4.28Å; P488-V555 HydrophobicContact CG-CG1 4.29Å; W502-V555 HydrophobicContact CB-CG1 4.03Å; W502-V555 HydrophobicContact CD2-CG2 3.97Å; W502-V555 HydrophobicContact CE3-CG2 4.44Å; W502-V555 HydrophobicContact CG-CG1 4.23Å; W502-V555 HydrophobicContact CG-CG2 4.12Å; I517-V555 WeakPolarHBondContact O-CA 3.34Å; L518-V555 HydrophobicContact CD1-CB 4.14Å; V555-P566 CarbonylContact O-C 3.56Å; V555-P566 WeakPolarHBondContact O-CA 3.1Å; V555-S567 PolarHBondContact N-OG 2.8Å; V555-S567 WeakPolarHBondContact O-CB 3.32Å; V555-S567 PolarHBondContact O-N 3.01Å
556A91.9Very high88Confident0 Ų052.7 Ų52.70%027%0.266CS..EExtended strand (participates in β ladder)trans-131.5146177.400000109.8Y516 I517 K563 P566Y516-A556 CarbonylContact C-O 3.4Å; Y516-A556 VanDerWaalsContact CA-O 3.32Å; Y516-A556 WeakPolarHBondContact CA-O 3.42Å; I517-A556 PolarHBondContact N-O 3.18Å; I517-A556 PolarHBondContact O-N 2.61Å; A556-K563 VanDerWaalsContact CB-CE 3.44Å; A556-K563 HydrophobicContact CB-CG 4.32Å; A556-P566 HydrophobicContact CB-CB 4.29Å
557A89.2Confident88.2Confident0 Ų045.9 Ų45.90%024%0.242CC..EExtended strand (participates in β ladder)trans-106.5148.7179.700000111P482 P485 P505 I514 Y515 Y516 S564P482-A557 HydrophobicContact CB-CB 3.93Å; P482-A557 HydrophobicContact CG-CB 4.35Å; P485-A557 HydrophobicContact CG-CB 4.49Å; P505-A557 HydrophobicContact CG-CB 4.28Å; I514-A557 HydrophobicContact CG2-CB 4.22Å; Y515-A557 CarbonylContact O-C 3.48Å; Y515-A557 VanDerWaalsContact O-CA 3.29Å; Y515-A557 WeakPolarHBondContact O-CA 3.2Å; Y516-A557 HydrophobicContact CD1-CB 3.92Å; Y516-A557 HydrophobicContact CE1-CB 3.94Å; A557-S564 PolarHBondContact N-OG 3.4Å; A557-S564 WeakPolarHBondContact O-CB 3.46Å; A557-S564 PolarHBondContact O-N 3.02Å; A557-S564 PolarHBondContact O-OG 3.11Å
558Y87.1Confident88.4Confident63 Ų6349.7 Ų49.725%0.24726%0.263CS..EExtended strand (participates in β ladder)trans-143.4156.6175.575.1-91.3000113.4I514 Y515 I517 D534 G562I514-Y558 WeakPolarHBondContact CA-O 3.34Å; Y515-Y558 HydrophobicContact CD2-CD2 4.49Å; Y515-Y558 AromaticContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CG-CE1 4.34Å; Y515-Y558 HydrophobicContact CG-CE2 4.07Å; Y515-Y558 AromaticContact CG-CZ 3.82Å; Y515-Y558 PolarHBondContact N-O 2.62Å; Y515-Y558 PolarHBondContact O-N 2.76Å; I517-Y558 HydrophobicContact CD1-CD1 3.89Å; I517-Y558 HydrophobicContact CD1-CE1 3.92Å; I517-Y558 HydrophobicContact CG1-CD1 3.98Å; I517-Y558 HydrophobicContact CG1-CE1 3.81Å; D534-Y558 VanDerWaalsContact OD1-CE1 3.26Å; D534-Y558 WeakPolarHBondContact OD1-CE1 3.42Å; D534-Y558 PolarHBondContact OD1-OH 3.02Å; Y558-G562 VanDerWaalsContact CA-O 3.3Å; Y558-G562 WeakPolarHBondContact CA-O 3.12Å; Y558-G562 WeakPolarHBondContact CB-O 3.22Å
559N81.8Confident88.6Confident17 Ų1750.2 Ų50.29%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-143.1-169172.869.411000110.6S480 P482 D513 I514 E561 G562S480-N559 PolarHBondContact O-ND2 3.01Å; P482-N559 HydrophobicContact CG-CB 4.13Å; D513-N559 WeakPolarHBondContact O-CB 3.31Å; I514-N559 HydrophobicContact CG1-CB 4.35Å; N559-E561 PolarHBondContact O-N 2.85Å; N559-E561 WeakPolarHBondContact OD1-CB 3.36Å; N559-E561 PolarHBondContact OD1-N 3.38Å; N559-G562 PolarHBondContact N-O 3.42Å; N559-G562 VanDerWaalsContact N-O 3.09Å; N559-G562 PolarHBondContact O-N 3.21Å
560S78.1Confident88.8Confident103 Ų10350 Ų5072%0.7226%0.263SS*.THydrogen-bonded Turntrans-54.7-23.7179.463.90000115.3
561E74.9Confident88.9Confident102 Ų10250.6 Ų50.648%0.47727%0.267SS..THydrogen-bonded Turntrans-92.8-12.6-178.3-51-67.4126.600112.7C479 V481 N559C479-E561 HydrophobicContact CB-CG 3.9Å; V481-E561 HydrophobicContact CG2-CB 4.07Å; V481-E561 WeakPolarHBondContact CG2-O 3.29Å; N559-E561 PolarHBondContact O-N 2.85Å; N559-E561 WeakPolarHBondContact OD1-CB 3.36Å; N559-E561 PolarHBondContact OD1-N 3.38Å
562G75.5Confident89Confident29 Ų2952.8 Ų52.830%0.29928%0.276SS..EExtended strand (participates in β ladder)trans137.6-175.9176.300000115.8Y558 N559Y558-G562 VanDerWaalsContact CA-O 3.3Å; Y558-G562 WeakPolarHBondContact CA-O 3.12Å; Y558-G562 WeakPolarHBondContact CB-O 3.22Å; N559-G562 PolarHBondContact N-O 3.42Å; N559-G562 VanDerWaalsContact N-O 3.09Å; N559-G562 PolarHBondContact O-N 3.21Å
563K83.9Confident88.8Confident94 Ų9455.4 Ų55.441%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-95.6140.2-179.9-173.8-179.9176.6173.10111.6V481 I517 E519 A556V481-K563 WeakPolarHBondContact CG1-O 3.47Å; I517-K563 HydrophobicContact CD1-CD 3.99Å; E519-K563 IonicContact OE1-NZ 2.7Å; E519-K563 PolarHBondContact OE1-NZ 3.4Å; A556-K563 VanDerWaalsContact CB-CE 3.44Å; A556-K563 HydrophobicContact CB-CG 4.32Å
564S87Confident88.7Confident11 Ų1155.5 Ų55.58%0.07729%0.292CS..PPolyproline II helixtrans-70.5168.1174.377.20000112.1P482 A557P482-S564 VanDerWaalsContact O-CB 3.29Å; P482-S564 WeakPolarHBondContact O-CB 3.32Å; A557-S564 PolarHBondContact N-OG 3.4Å; A557-S564 WeakPolarHBondContact O-CB 3.46Å; A557-S564 PolarHBondContact O-N 3.02Å; A557-S564 PolarHBondContact O-OG 3.11Å
565N88.1Confident88.6Confident124 Ų12457.5 Ų57.566%0.66330%0.302SS*.PPolyproline II helixtrans-61.1149.6156.7-65-25.5000109.2P484P484-N565 WeakPolarHBondContact CB-O 3.37Å; P484-N565 HydrophobicContact CG-CB 3.94Å
566P90.5Very high88.4Confident54 Ų5458.2 Ų58.235%0.35131%0.307SS..PPolyproline II helixtrans-68.9162.2173.130.4-35.5000111.9R554 V555 A556R554-P566 HydrophobicContact CB-CB 4.41Å; R554-P566 HydrophobicContact CG-CB 4.08Å; V555-P566 CarbonylContact O-C 3.56Å; V555-P566 WeakPolarHBondContact O-CA 3.1Å; A556-P566 HydrophobicContact CB-CB 4.29Å
567S92.8Very high88.5Confident13 Ų1361 Ų619%0.09132%0.322CS..PPolyproline II helixtrans-60.8172.9169.772.30000112.4P485 R554 V555P485-S567 WeakPolarHBondContact O-CB 3.14Å; R554-S567 WeakPolarHBondContact CA-OG 3.48Å; V555-S567 PolarHBondContact N-OG 2.8Å; V555-S567 WeakPolarHBondContact O-CB 3.32Å; V555-S567 PolarHBondContact O-N 3.01Å
568Q92.3Very high88.5Confident158 Ų15867.6 Ų67.674%0.73835%0.347SS*.PPolyproline II helixtrans-59.3152.9160.8-56.8-179.1-5.400110.1P487P487-Q568 HydrophobicContact CG-CB 3.87Å; P487-Q568 HydrophobicContact CG-CG 4.39Å
569V93.8Very high88.8Confident67 Ų6764.7 Ų64.741%0.40634%0.335SS..PPolyproline II helixtrans-79.9136.6176.4175.40000109.7F529 K552 F553 R554F529-V569 HydrophobicContact CE1-CG1 4.37Å; F529-V569 HydrophobicContact CE1-CG2 4.25Å; F529-V569 HydrophobicContact CE2-CG2 4.2Å; F529-V569 HydrophobicContact CZ-CB 4.35Å; F529-V569 HydrophobicContact CZ-CG1 3.76Å; F529-V569 HydrophobicContact CZ-CG2 3.57Å; K552-V569 HydrophobicContact CB-CG1 3.9Å; F553-V569 WeakPolarHBondContact O-CA 3.42Å; R554-V569 HydrophobicContact CB-CG2 4.36Å
570V94.2Very high89.3Confident30 Ų3065.6 Ų65.618%0.18234%0.343CS..EExtended strand (participates in β ladder)trans-119.1153.6171.6-65.20000110P487 P488 M500 K552 F553 F572P487-V570 HydrophobicContact CB-CG1 3.72Å; P488-V570 HydrophobicContact CG-CG2 3.9Å; P488-V570 WeakPolarHBondContact O-CG2 3.28Å; M500-V570 HydrophobicContact CE-CG2 4.04Å; K552-V570 CarbonylContact C-O 3.47Å; K552-V570 VanDerWaalsContact CA-O 3.31Å; K552-V570 WeakPolarHBondContact CA-O 3.38Å; F553-V570 HydrophobicContact CB-CG2 3.95Å; F553-V570 PolarHBondContact N-O 2.88Å; F553-V570 PolarHBondContact O-N 3.16Å; V570-F572 HydrophobicContact CB-CE2 3.91Å; V570-F572 HydrophobicContact CB-CZ 4.29Å; V570-F572 HydrophobicContact CG2-CD2 4.15Å; V570-F572 HydrophobicContact CG2-CE2 3.58Å; V570-F572 HydrophobicContact CG2-CZ 4.39Å
571E94.2Very high89.9Confident96 Ų9663.8 Ų63.845%0.44933%0.33SS..EExtended strand (participates in β ladder)trans-124128.6-178.1-51.1-163.5164.500110.7K552K552-E571 HydrophobicContact CG-CG 4.1Å; K552-E571 VanDerWaalsContact NZ-CD 3.32Å; K552-E571 IonicContact NZ-OE1 3.49Å; K552-E571 PolarHBondContact NZ-OE1 2.9Å; K552-E571 IonicContact NZ-OE2 3.61Å
572F94.3Very high90.7Very high49 Ų4959.1 Ų59.122%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-134.6154.6178.9-64.4-61000110.9L490 L498 M500 Y551 F553 V570L490-F572 HydrophobicContact CB-CD1 3.79Å; L490-F572 HydrophobicContact CB-CD2 3.98Å; L490-F572 HydrophobicContact CB-CE1 3.61Å; L490-F572 HydrophobicContact CB-CE2 3.79Å; L490-F572 HydrophobicContact CB-CG 3.99Å; L490-F572 HydrophobicContact CB-CZ 3.61Å; L490-F572 HydrophobicContact CD1-CG 4.48Å; L490-F572 HydrophobicContact CD2-CB 4.44Å; L490-F572 HydrophobicContact CD2-CD1 3.75Å; L490-F572 HydrophobicContact CD2-CE1 4.23Å; L490-F572 HydrophobicContact CD2-CG 4.12Å; L490-F572 HydrophobicContact CG-CD1 4.32Å; L490-F572 HydrophobicContact CG-CG 4.43Å; L498-F572 HydrophobicContact CD1-CB 4.08Å; M500-F572 HydrophobicContact CE-CD2 3.67Å; M500-F572 HydrophobicContact CE-CE2 3.56Å; M500-F572 HydrophobicContact SD-CD2 3.79Å; M500-F572 HydrophobicContact SD-CE2 4.13Å; Y551-F572 PolarHBondContact N-O 2.79Å; Y551-F572 PolarHBondContact O-N 3.5Å; F553-F572 HydrophobicContact CD2-CD2 4.28Å; V570-F572 HydrophobicContact CB-CE2 3.91Å; V570-F572 HydrophobicContact CB-CZ 4.29Å; V570-F572 HydrophobicContact CG2-CD2 4.15Å; V570-F572 HydrophobicContact CG2-CE2 3.58Å; V570-F572 HydrophobicContact CG2-CZ 4.39Å
573I91.8Very high91.3Very high89 Ų8959.5 Ų59.546%0.45631%0.306SS..EExtended strand (participates in β ladder)trans-116.7133.1-177.9-40.7-174.7000108.5T549 K550T549-I573 WeakPolarHBondContact O-CA 3.45Å; K550-I573 HydrophobicContact CD-CD1 3.87Å; K550-I573 HydrophobicContact CD-CG1 4.02Å; K550-I573 HydrophobicContact CG-CD1 4.11Å; K550-I573 HydrophobicContact CG-CG1 4Å
574T92.7Very high91.7Very high3 Ų360.8 Ų60.82%0.01831%0.308CS..PPolyproline II helixtrans-65.3147.4167.345.20000110.6L498 L545 R546 R547 S548 T549 Y551L498-T574 HydrophobicContact CD1-CG2 4.23Å; L498-T574 HydrophobicContact CD2-CG2 4.15Å; L498-T574 HydrophobicContact CG-CG2 3.92Å; L545-T574 HydrophobicContact CB-CG2 3.81Å; L545-T574 HydrophobicContact CD1-CG2 3.94Å; R546-T574 WeakPolarHBondContact O-CB 3.37Å; R546-T574 WeakPolarHBondContact O-CG2 3.5Å; R546-T574 PolarHBondContact O-OG1 2.86Å; R547-T574 VanDerWaalsContact C-OG1 3.27Å; R547-T574 WeakPolarHBondContact CA-OG1 3.46Å; S548-T574 WeakPolarHBondContact CA-O 3.41Å; S548-T574 PolarHBondContact N-O 3.29Å; S548-T574 PolarHBondContact N-OG1 2.86Å; S548-T574 VanDerWaalsContact N-OG1 3.08Å; T549-T574 PolarHBondContact N-OG1 2.88Å; T549-T574 PolarHBondContact O-N 2.97Å; T549-T574 PolarHBondContact O-OG1 3.07Å; Y551-T574 HydrophobicContact CD2-CG2 4.22Å; Y551-T574 HydrophobicContact CE2-CG2 4.1Å
575K91.8Very high92Very high106 Ų10660.4 Ų60.446%0.46131%0.305SS..PPolyproline II helixtrans-66.3152.4178.4-72.8178178.9153.50111.2A493 G494 S548A493-K575 HydrophobicContact CB-CG 4.34Å; A493-K575 WeakPolarHBondContact O-CD 3.46Å; A493-K575 WeakPolarHBondContact O-CE 3.26Å; A493-K575 PolarHBondContact O-NZ 3.21Å; G494-K575 PolarHBondContact O-N 3.37Å; S548-K575 PolarHBondContact N-O 3.26Å
576P91.8Very high92.3Very high15 Ų1557 Ų5710%0.09729%0.294CS..PPolyproline II helixtrans-63.9151.4163.929.4-34.8000110.5G607 A609 E658P576-G607 WeakPolarHBondContact CA-O 3.42Å; P576-A609 HydrophobicContact CB-CB 3.58Å; P576-A609 HydrophobicContact CG-CB 3.92Å; P576-E658 HydrophobicContact CG-CB 4.15Å; P576-E658 HydrophobicContact CG-CG 4.28Å
577D92.5Very high92.5Very high58 Ų5856.9 Ų56.931%0.3129%0.29SS..PPolyproline II helixtrans-84.8167.3166.9-157.8-6.5000110V495 G607 G659V495-D577 HydrophobicContact CG1-CB 3.63Å; D577-G607 PolarHBondContact N-O 3.45Å; D577-G607 WeakPolarHBondContact O-CA 3.19Å; D577-G659 WeakPolarHBondContact O-CA 3.34Å
578R90Very high92.5Very high138 Ų13863.3 Ų63.352%0.52131%0.313SS..PPolyproline II helixtrans-65.8153.5166.358.9176.9172-177.2-2.8110.5G659 Q661R578-G659 PolarHBondContact N-O 2.84Å; R578-Q661 VanDerWaalsContact CD-O 3.25Å; R578-Q661 WeakPolarHBondContact CD-O 3.49Å
579P93.6Very high92.4Very high2 Ų259.3 Ų59.31%0.01331%0.314CS..PPolyproline II helixtrans-66.8160.7176.7-15.730.3000112.1P603 D605 V611 S657 G660 S662P579-P603 HydrophobicContact CB-CB 4.25Å; P579-P603 HydrophobicContact CB-CG 3.81Å; P579-D605 WeakPolarHBondContact CA-O 3.46Å; P579-V611 HydrophobicContact CG-CG2 4.25Å; P579-S657 WeakPolarHBondContact CD-OG 3.3Å; P579-S657 WeakPolarHBondContact CG-OG 3.31Å; P579-G660 WeakPolarHBondContact CD-O 3.2Å; P579-S662 WeakPolarHBondContact O-CA 3.49Å; P579-S662 WeakPolarHBondContact O-CB 3.19Å
580S92.3Very high92.3Very high36 Ų3666.8 Ų66.825%0.25234%0.335SS..PPolyproline II helixtrans-62.916616573.90000110.9P603 D605 S662S580-P603 WeakPolarHBondContact O-CB 3.48Å; S580-P603 WeakPolarHBondContact OG-CB 3.14Å; S580-D605 PolarHBondContact N-O 3.24Å; S580-D605 PolarHBondContact OG-N 2.83Å; S580-D605 PolarHBondContact OG-O 3.13Å; S580-S662 VanDerWaalsContact O-CB 3.22Å; S580-S662 WeakPolarHBondContact O-CB 3.42Å
581C90.3Very high92.3Very high65 Ų6566.9 Ų66.944%0.43934%0.336SS..PPolyproline II helixtrans-53.3140167.850.30000110.7P663C581-P663 WeakPolarHBondContact CA-O 3.46Å; C581-P663 HydrophobicContact CB-CB 4.27Å
582P91.8Very high92.2Very high5 Ų567.3 Ų67.33%0.03234%0.337CS..PPolyproline II helixtrans-63.9155.9169.2-20.533.1000111.3L653 C655 P663 S665P582-L653 HydrophobicContact CB-CD1 3.65Å; P582-L653 HydrophobicContact CB-CG 4.01Å; P582-L653 HydrophobicContact CG-CD1 3.83Å; P582-L653 HydrophobicContact CG-CG 4.16Å; P582-C655 HydrophobicContact CG-CB 4.32Å; P582-P663 WeakPolarHBondContact CD-O 3.37Å; P582-S665 WeakPolarHBondContact O-CB 3.47Å
583C88.6Confident92.1Very high36 Ų3666.8 Ų66.824%0.24334%0.339CS..PPolyproline II helixtrans-56.8149.6168.7-68.90000110.8E601C583-E601 HydrophobicContact CB-CB 4.34Å
584R91.3Very high92.2Very high121 Ų12166.4 Ų66.446%0.45734%0.338SS..PPolyproline II helixtrans-52.4128171.5-168.7-179.8-173.5-1373.9109.4E666 T667R584-E666 HydrophobicContact CB-CB 3.95Å; R584-E666 WeakPolarHBondContact CD-OE2 3.46Å; R584-E666 HydrophobicContact CG-CB 3.84Å; R584-T667 PolarHBondContact NE-O 3.45Å; R584-T667 PolarHBondContact NH2-O 3.32Å
585P93.8Very high92.3Very high3 Ų366.7 Ų66.72%0.01934%0.34CS..PPolyproline II helixtrans-66.4145.4179.424.5-28.3000110.1M598 A599 W600 L653 L668P585-M598 HydrophobicContact CB-SD 4.43Å; P585-A599 WeakPolarHBondContact CA-O 3.2Å; P585-W600 HydrophobicContact CB-CB 4.37Å; P585-L653 HydrophobicContact CB-CD2 3.74Å; P585-L653 HydrophobicContact CG-CD2 3.56Å; P585-L668 HydrophobicContact CB-CD2 4.31Å; P585-L668 HydrophobicContact CG-CB 3.78Å; P585-L668 HydrophobicContact CG-CD2 4.22Å
586A93.8Very high92.5Very high52 Ų5261.7 Ų61.743%0.4332%0.318SS..EExtended strand (participates in β ladder)trans-115.8139.1-178.300000110.7M598 A599A586-M598 CarbonylContact O-C 3.54Å; A586-M598 VanDerWaalsContact O-CA 3.28Å; A586-M598 WeakPolarHBondContact O-CA 3.35Å; A586-A599 PolarHBondContact N-O 3.19Å; A586-A599 PolarHBondContact O-N 3.01Å
587I95.8Very high92.7Very high52 Ų5264.4 Ų64.427%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-63.8135.4172.9-61.2-65.4000109.7V591 F596 K597 L668 V670I587-V591 HydrophobicContact CG2-CG2 3.91Å; I587-F596 HydrophobicContact CD1-CB 4.22Å; I587-F596 HydrophobicContact CD1-CD2 3.38Å; I587-F596 HydrophobicContact CD1-CE2 3.99Å; I587-F596 HydrophobicContact CD1-CG 3.97Å; I587-K597 WeakPolarHBondContact CA-O 3.26Å; I587-L668 HydrophobicContact CD1-CD2 3.83Å; I587-L668 HydrophobicContact CG1-CD1 4.31Å; I587-L668 HydrophobicContact CG1-CD2 4.22Å; I587-V670 HydrophobicContact CD1-CB 4.18Å; I587-V670 HydrophobicContact CD1-CG2 3.86Å; I587-V670 HydrophobicContact CG1-CG2 4.35Å
588R93.1Very high92.8Very high149 Ų14961.6 Ų61.656%0.56231%0.314SS*.  trans-113.5116.8174.3-72.4-67.4-171.4164.6-1.2109.6K597 A599R588-K597 HydrophobicContact CB-CB 4.46Å; R588-K597 HydrophobicContact CB-CD 4.39Å; R588-K597 HydrophobicContact CB-CG 4.31Å; R588-K597 PolarHBondContact N-O 3.43Å; R588-A599 HydrophobicContact CG-CB 3.59Å
589G89.8Confident93.1Very high74 Ų7455.6 Ų55.676%0.76329%0.293SS*.SBendtrans81.5-154.4-178.900000113.3
590R91.1Very high93.2Very high223 Ų22356 Ų5684%0.84230%0.295SS*.PPolyproline II helixtrans-89.3134.8-178.8176.4-179.1-73.6-1133.7110.3
591V94.3Very high93.2Very high33 Ų3360 Ų6020%0.231%0.31CS..PPolyproline II helixtrans-69.6127.1167.6-177.40000108.9I587 F596 V670 T672I587-V591 HydrophobicContact CG2-CG2 3.91Å; V591-F596 HydrophobicContact CG1-CB 4.17Å; V591-F596 HydrophobicContact CG2-CB 4.39Å; V591-V670 HydrophobicContact CG1-CG2 4.08Å; V591-V670 HydrophobicContact CG2-CG2 3.81Å; V591-T672 HydrophobicContact CG1-CG2 4.48Å
592Q92.6Very high93.3Very high104 Ų10460.2 Ų60.249%0.48631%0.31SS..PPolyproline II helixtrans-97.5163.2174.5-50.4-163.3111.100110.1D594 S595 P673Q592-D594 WeakPolarHBondContact CB-OD1 3.38Å; Q592-D594 PolarHBondContact O-N 3.45Å; Q592-S595 CarbonylContact C-O 3.6Å; Q592-S595 WeakPolarHBondContact CA-O 3.41Å; Q592-S595 WeakPolarHBondContact CB-O 3.5Å; Q592-S595 WeakPolarHBondContact CB-OG 3.46Å; Q592-S595 PolarHBondContact N-O 2.99Å; Q592-S595 PolarHBondContact NE2-OG 2.87Å; Q592-S595 PolarHBondContact O-N 3.23Å; Q592-S595 VanDerWaalsContact O-O 3.06Å; Q592-P673 WeakPolarHBondContact O-CD 3.37Å
593P92.6Very high93.3Very high38 Ų3860.5 Ų60.525%0.24731%0.312CS..SBendtrans-63.1-29.3-177.9-19.631.1000114K644 P645 T672 P673 V675P593-K644 CarbonylContact O-C 3.56Å; P593-P645 HydrophobicContact CB-CB 4Å; P593-P645 HydrophobicContact CB-CG 3.84Å; P593-P645 VanDerWaalsContact O-CA 3.27Å; P593-P645 WeakPolarHBondContact O-CA 3.12Å; P593-T672 WeakPolarHBondContact O-CB 3.35Å; P593-T672 WeakPolarHBondContact O-CG2 3.18Å; P593-P673 HydrophobicContact CB-CG 4.41Å; P593-P673 HydrophobicContact CG-CG 4.03Å; P593-V675 HydrophobicContact CB-CG1 3.53Å; P593-V675 HydrophobicContact CG-CG1 3.52Å
594D93.1Very high93.4Very high82 Ų8268.2 Ų68.244%0.43934%0.341SS..SBendtrans-107.1-7.6-175.463.9-8.6000113.7Q592 D641 G642 L643Q592-D594 WeakPolarHBondContact CB-OD1 3.38Å; Q592-D594 PolarHBondContact O-N 3.45Å; D594-D641 CarbonylContact O-C 3.41Å; D594-D641 WeakPolarHBondContact O-CA 3.48Å; D594-G642 PolarHBondContact O-N 3.31Å; D594-L643 WeakPolarHBondContact CA-O 3.11Å; D594-L643 VanDerWaalsContact O-CB 3.29Å; D594-L643 WeakPolarHBondContact O-CB 3.38Å; D594-L643 WeakPolarHBondContact O-CG 3.26Å; D594-L643 PolarHBondContact O-N 3.31Å
595S94.6Very high93.4Very high8 Ų865 Ų656%0.05633%0.333CS..  trans-163.3151.9-166.655.70000114.2Q592 C640Q592-S595 CarbonylContact C-O 3.6Å; Q592-S595 WeakPolarHBondContact CA-O 3.41Å; Q592-S595 WeakPolarHBondContact CB-O 3.5Å; Q592-S595 WeakPolarHBondContact CB-OG 3.46Å; Q592-S595 PolarHBondContact N-O 2.99Å; Q592-S595 PolarHBondContact NE2-OG 2.87Å; Q592-S595 PolarHBondContact O-N 3.23Å; Q592-S595 VanDerWaalsContact O-O 3.06Å; S595-C640 CarbonylContact C-O 3.42Å; S595-C640 WeakPolarHBondContact CA-O 3.18Å; S595-C640 VanDerWaalsContact CB-O 3.23Å; S595-C640 WeakPolarHBondContact CB-O 3.49Å
596F96.3Very high93.2Very high2 Ų268 Ų681%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-144.1144.1166.467.6-93000111.6I587 V591 M598 L618 V639 C640 L643 A651 V670I587-F596 HydrophobicContact CD1-CB 4.22Å; I587-F596 HydrophobicContact CD1-CD2 3.38Å; I587-F596 HydrophobicContact CD1-CE2 3.99Å; I587-F596 HydrophobicContact CD1-CG 3.97Å; V591-F596 HydrophobicContact CG1-CB 4.17Å; V591-F596 HydrophobicContact CG2-CB 4.39Å; F596-M598 HydrophobicContact CD2-CB 4.28Å; F596-M598 HydrophobicContact CE2-CB 4.12Å; F596-M598 HydrophobicContact CE2-CG 4.07Å; F596-M598 HydrophobicContact CE2-SD 3.9Å; F596-L618 HydrophobicContact CE1-CD1 4.21Å; F596-L618 HydrophobicContact CZ-CD1 3.83Å; F596-V639 WeakPolarHBondContact O-CA 3.22Å; F596-C640 HydrophobicContact CD1-CB 4.28Å; F596-C640 HydrophobicContact CE1-CB 3.87Å; F596-C640 HydrophobicContact CE2-CB 4.31Å; F596-C640 HydrophobicContact CZ-CB 3.89Å; F596-C640 PolarHBondContact N-O 2.76Å; F596-C640 PolarHBondContact O-N 3.08Å; F596-L643 HydrophobicContact CD1-CD1 3.38Å; F596-L643 HydrophobicContact CE1-CD1 3.55Å; F596-A651 HydrophobicContact CZ-CB 4.42Å; F596-V670 HydrophobicContact CD1-CG1 3.78Å; F596-V670 HydrophobicContact CD2-CG1 4.48Å; F596-V670 HydrophobicContact CE1-CG1 3.48Å; F596-V670 VanDerWaalsContact CE1-CG1 3.48Å; F596-V670 HydrophobicContact CE2-CG1 4.21Å; F596-V670 HydrophobicContact CG-CG1 4.3Å; F596-V670 HydrophobicContact CZ-CG1 3.72Å
597K95.4Very high92.9Very high71 Ų7165.5 Ų65.531%0.30933%0.328SS..EExtended strand (participates in β ladder)trans-91.1134169.2-165.8176.5-167.1-169.30110.1I587 R588 E637 H638 V639I587-K597 WeakPolarHBondContact CA-O 3.26Å; R588-K597 HydrophobicContact CB-CB 4.46Å; R588-K597 HydrophobicContact CB-CD 4.39Å; R588-K597 HydrophobicContact CB-CG 4.31Å; R588-K597 PolarHBondContact N-O 3.43Å; K597-E637 VanDerWaalsContact CE-OE1 3.26Å; K597-E637 WeakPolarHBondContact CE-OE1 3.17Å; K597-E637 WeakPolarHBondContact CE-OE2 3.49Å; K597-E637 IonicContact NZ-OE1 3.47Å; K597-E637 PolarHBondContact NZ-OE1 2.99Å; K597-E637 IonicContact NZ-OE2 2.75Å; K597-E637 PolarHBondContact NZ-OE2 3.18Å; K597-H638 WeakPolarHBondContact CA-O 3.45Å; K597-V639 HydrophobicContact CB-CG2 4.02Å; K597-V639 HydrophobicContact CD-CG2 4.15Å; K597-V639 HydrophobicContact CG-CG2 3.82Å
598M95.1Very high92.5Very high0 Ų064.3 Ų64.30%033%0.329CS..EExtended strand (participates in β ladder)trans-126152.5171.258.3177.8168.100110.4P585 A586 F596 W600 V616 V630 E637 H638 C640 A651 L668P585-M598 HydrophobicContact CB-SD 4.43Å; A586-M598 CarbonylContact O-C 3.54Å; A586-M598 VanDerWaalsContact O-CA 3.28Å; A586-M598 WeakPolarHBondContact O-CA 3.35Å; F596-M598 HydrophobicContact CD2-CB 4.28Å; F596-M598 HydrophobicContact CE2-CB 4.12Å; F596-M598 HydrophobicContact CE2-CG 4.07Å; F596-M598 HydrophobicContact CE2-SD 3.9Å; M598-W600 HydrophobicContact CE-CZ3 4.34Å; M598-W600 HydrophobicContact CG-CZ3 4.15Å; M598-V616 HydrophobicContact CE-CB 4.29Å; M598-V616 HydrophobicContact CE-CG1 3.47Å; M598-V616 VanDerWaalsContact CE-CG1 3.47Å; M598-V616 HydrophobicContact SD-CG1 4.14Å; M598-V630 HydrophobicContact CE-CG2 4.42Å; M598-E637 VanDerWaalsContact O-CA 3.28Å; M598-E637 WeakPolarHBondContact O-CA 3.35Å; M598-E637 WeakPolarHBondContact O-CB 3.25Å; M598-H638 HydrophobicContact CE-CB 4.48Å; M598-H638 PolarHBondContact N-O 3.04Å; M598-H638 PolarHBondContact O-N 3.39Å; M598-C640 WeakPolarHBondContact CE-SG 3.41Å; M598-A651 HydrophobicContact SD-CB 4.06Å; M598-L668 HydrophobicContact CB-CD2 4.3Å
599A95.6Very high92.4Very high12 Ų1258 Ų5810%0.09931%0.308CS..EExtended strand (participates in β ladder)trans-132.7153.6171.600000110.3P585 A586 R588 L636 E637P585-A599 WeakPolarHBondContact CA-O 3.2Å; A586-A599 PolarHBondContact N-O 3.19Å; A586-A599 PolarHBondContact O-N 3.01Å; R588-A599 HydrophobicContact CG-CB 3.59Å; A599-L636 CarbonylContact C-O 3.56Å; A599-L636 VanDerWaalsContact CA-O 3.23Å; A599-L636 WeakPolarHBondContact CA-O 3.22Å; A599-L636 WeakPolarHBondContact CB-O 3.44Å; A599-E637 HydrophobicContact CB-CB 3.88Å
600W95.3Very high92.4Very high10 Ų1062.4 Ų62.44%0.03831%0.309CS..  trans-133.4163.2176.852.290.3000109.7P585 M598 Y614 V616 Y631 A635 L636 H638 L653P585-W600 HydrophobicContact CB-CB 4.37Å; M598-W600 HydrophobicContact CE-CZ3 4.34Å; M598-W600 HydrophobicContact CG-CZ3 4.15Å; W600-Y614 AromaticContact CD1-CD1 3.58Å; W600-Y614 AromaticContact CD1-CE1 3.86Å; W600-Y614 AromaticContact CD1-CG 3.9Å; W600-Y614 HydrophobicContact CZ2-CG 4.45Å; W600-Y614 AromaticContact NE1-CD1 3.3Å; W600-Y614 VanDerWaalsContact NE1-CD1 3.3Å; W600-Y614 AromaticContact NE1-CD2 3.54Å; W600-Y614 AromaticContact NE1-CE1 3.9Å; W600-Y614 AromaticContact NE1-CG 3.12Å; W600-V616 HydrophobicContact CE3-CG2 4.4Å; W600-V616 HydrophobicContact CH2-CG2 3.58Å; W600-V616 HydrophobicContact CZ2-CG2 3.93Å; W600-V616 HydrophobicContact CZ3-CG2 3.84Å; W600-Y631 AromaticContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CE1 4.26Å; W600-Y631 HydrophobicContact CH2-CG 4.46Å; W600-Y631 AromaticContact CZ2-CD1 3.89Å; W600-Y631 HydrophobicContact CZ2-CD1 3.89Å; W600-Y631 AromaticContact CZ2-CE1 3.98Å; W600-Y631 HydrophobicContact CZ2-CE1 3.98Å; W600-A635 WeakPolarHBondContact CZ2-O 3.45Å; W600-A635 PolarHBondContact NE1-O 2.83Å; W600-L636 PolarHBondContact N-O 3.33Å; W600-H638 HydrophobicContact CH2-CB 3.71Å; W600-H638 HydrophobicContact CZ3-CB 3.96Å; W600-L653 HydrophobicContact CB-CD1 3.98Å; W600-L653 HydrophobicContact CB-CD2 3.94Å; W600-L653 HydrophobicContact CD2-CD1 3.94Å; W600-L653 HydrophobicContact CD2-CD2 4.42Å; W600-L653 HydrophobicContact CG-CD1 3.53Å; W600-L653 HydrophobicContact CG-CD2 4.16Å
601E93.5Very high92.5Very high121 Ų12153.4 Ų53.457%0.56528%0.279SS*.  trans-104.7153.7176.8-65.7177.8163.400109.7C583C583-E601 HydrophobicContact CB-CB 4.34Å
602P91.8Very high92.4Very high68 Ų6856.1 Ų56.144%0.44230%0.295SS..  trans-53.6149.4169.3-24.234.1000111.7K604 Y614 L636P602-K604 PolarHBondContact O-N 3.4Å; P602-Y614 WeakPolarHBondContact CA-OH 3.41Å; P602-L636 HydrophobicContact CG-CD1 4.09Å; P602-L636 HydrophobicContact CG-CD2 4.07Å
603P93.1Very high92.5Very high11 Ų1154.6 Ų54.67%0.07129%0.287CS..  trans-60.2139.9175.529-36.6000110.2P579 S580 D605 V611P579-P603 HydrophobicContact CB-CB 4.25Å; P579-P603 HydrophobicContact CB-CG 3.81Å; S580-P603 WeakPolarHBondContact O-CB 3.48Å; S580-P603 WeakPolarHBondContact OG-CB 3.14Å; P603-D605 PolarHBondContact O-N 2.96Å; P603-D605 VanDerWaalsContact O-N 3.13Å; P603-V611 HydrophobicContact CG-CG2 3.85Å
604K90.8Very high92.7Very high198 Ų19853.3 Ų53.386%0.86128%0.277SS*.SBendtrans-59.8-24.5179.7-66.3-178.7-179176.80112.9P602P602-K604 PolarHBondContact O-N 3.4Å
605D91.1Very high92.9Very high54 Ų5449.7 Ų49.729%0.28926%0.258SS..  trans-127.5120.6171.1-177.11.2000109.1R547 P579 S580 P603 G607R547-D605 IonicContact CZ-OD1 3.79Å; R547-D605 IonicContact CZ-OD2 2.61Å; R547-D605 IonicContact NH1-OD1 2.7Å; R547-D605 PolarHBondContact NH1-OD1 2.85Å; R547-D605 IonicContact NH1-OD2 2.72Å; R547-D605 PolarHBondContact NH1-OD2 3.09Å; R547-D605 IonicContact NH2-OD1 3.55Å; R547-D605 PolarHBondContact NH2-OD1 3.39Å; R547-D605 IonicContact NH2-OD2 2.64Å; R547-D605 PolarHBondContact NH2-OD2 3.11Å; P579-D605 WeakPolarHBondContact CA-O 3.46Å; S580-D605 PolarHBondContact N-O 3.24Å; S580-D605 PolarHBondContact OG-N 2.83Å; S580-D605 PolarHBondContact OG-O 3.13Å; P603-D605 PolarHBondContact O-N 2.96Å; P603-D605 VanDerWaalsContact O-N 3.13Å; D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 PolarHBondContact OD1-N 2.94Å
606N89.4Confident93Very high66 Ų6649.3 Ų49.335%0.35326%0.256SS..  trans-86.7-2.5178.870.7-7.9000113.6G608 A609N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.45Å; N606-G608 WeakPolarHBondContact OD1-CA 3.46Å; N606-G608 PolarHBondContact OD1-N 3.41Å; N606-A609 VanDerWaalsContact CB-O 3.28Å; N606-A609 WeakPolarHBondContact CB-O 3.33Å; N606-A609 VanDerWaalsContact CG-O 3.23Å; N606-A609 PolarHBondContact ND2-O 3.39Å
607G87.8Confident92.9Very high0 Ų051 Ų510%026%0.264CS..THydrogen-bonded Turntrans79.13.2-175.700000114.5R547 P576 D577 D605R547-G607 VanDerWaalsContact CD-O 3.27Å; R547-G607 WeakPolarHBondContact CD-O 3.47Å; P576-G607 WeakPolarHBondContact CA-O 3.42Å; D577-G607 PolarHBondContact N-O 3.45Å; D577-G607 WeakPolarHBondContact O-CA 3.19Å; D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 PolarHBondContact OD1-N 2.94Å
608G86.8Confident92.9Very high27 Ų2748.5 Ų48.528%0.27825%0.253SS..THydrogen-bonded Turntrans90.111.7-175.900000114.9S548 N606S548-G608 VanDerWaalsContact CB-O 3.26Å; S548-G608 WeakPolarHBondContact CB-O 3.49Å; S548-G608 PolarHBondContact OG-O 2.77Å; N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.45Å; N606-G608 WeakPolarHBondContact OD1-CA 3.46Å; N606-G608 PolarHBondContact OD1-N 3.41Å
609A89.8Confident92.9Very high15 Ų1548.6 Ų48.612%0.12425%0.254CS..SBendtrans-135.1156.9168.400000110.2P576 N606 E658P576-A609 HydrophobicContact CB-CB 3.58Å; P576-A609 HydrophobicContact CG-CB 3.92Å; N606-A609 VanDerWaalsContact CB-O 3.28Å; N606-A609 WeakPolarHBondContact CB-O 3.33Å; N606-A609 VanDerWaalsContact CG-O 3.23Å; N606-A609 PolarHBondContact ND2-O 3.39Å; A609-E658 HydrophobicContact CB-CB 4.04Å
610E90.1Very high92.6Very high168 Ų16852.4 Ų52.479%0.78527%0.27SS*.  trans-71149.4179-63.9-165.6155.400112.5T612 S657E610-T612 PolarHBondContact O-N 2.69Å; E610-S657 WeakPolarHBondContact O-CA 3.35Å; E610-S657 WeakPolarHBondContact O-CB 3.44Å
611V93Very high92.2Very high34 Ų3453.1 Ų53.121%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-81114.6178.5175.40000109.4P579 P603 Y614 C655P579-V611 HydrophobicContact CG-CG2 4.25Å; P603-V611 HydrophobicContact CG-CG2 3.85Å; V611-Y614 HydrophobicContact CG1-CE1 4.03Å; V611-Y614 HydrophobicContact CG1-CE2 3.92Å; V611-C655 HydrophobicContact CG1-CB 3.63Å
612T93.6Very high91.6Very high89 Ų8952 Ų5255%0.54628%0.278SS..EExtended strand (participates in β ladder)trans-77.4-38.2-176.363.80000113.1E610 I656E610-T612 PolarHBondContact O-N 2.69Å; T612-I656 PolarHBondContact N-O 2.98Å; T612-I656 PolarHBondContact OG1-O 2.9Å
613K94.6Very high90.9Very high72 Ų7252.5 Ų52.531%0.31328%0.283SS..EExtended strand (participates in β ladder)trans-158158.1174.868176.2-169.7169.50113.2V615 S632 G633 C655 I656K613-V615 HydrophobicContact CD-CG2 4.38Å; K613-V615 HydrophobicContact CG-CG2 4.5Å; K613-S632 PolarHBondContact NZ-OG 2.94Å; K613-G633 WeakPolarHBondContact CA-O 3.31Å; K613-C655 CarbonylContact O-C 3.58Å; K613-C655 VanDerWaalsContact O-CA 3.3Å; K613-C655 WeakPolarHBondContact O-CA 3.46Å; K613-C655 WeakPolarHBondContact O-CB 3.33Å; K613-I656 HydrophobicContact CG-CB 4.4Å; K613-I656 HydrophobicContact CG-CD1 4.22Å; K613-I656 PolarHBondContact O-N 2.88Å
614Y96.6Very high90.1Very high11 Ų1153 Ų534%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-102.1145.3165.1-58-89000109.1W600 P602 V611 S632 G633 A635 L636 L653 Y654 C655W600-Y614 AromaticContact CD1-CD1 3.58Å; W600-Y614 AromaticContact CD1-CE1 3.86Å; W600-Y614 AromaticContact CD1-CG 3.9Å; W600-Y614 HydrophobicContact CZ2-CG 4.45Å; W600-Y614 AromaticContact NE1-CD1 3.3Å; W600-Y614 VanDerWaalsContact NE1-CD1 3.3Å; W600-Y614 AromaticContact NE1-CD2 3.54Å; W600-Y614 AromaticContact NE1-CE1 3.9Å; W600-Y614 AromaticContact NE1-CG 3.12Å; P602-Y614 WeakPolarHBondContact CA-OH 3.41Å; V611-Y614 HydrophobicContact CG1-CE1 4.03Å; V611-Y614 HydrophobicContact CG1-CE2 3.92Å; Y614-S632 WeakPolarHBondContact O-CA 3.44Å; Y614-G633 PolarHBondContact N-O 3.36Å; Y614-G633 PolarHBondContact O-N 2.96Å; Y614-A635 VanDerWaalsContact CD2-O 3.31Å; Y614-A635 WeakPolarHBondContact CD2-O 3.47Å; Y614-L636 HydrophobicContact CD2-CD2 4.23Å; Y614-L636 HydrophobicContact CE1-CD2 4.3Å; Y614-L636 HydrophobicContact CE2-CD2 3.53Å; Y614-L653 HydrophobicContact CD1-CD1 3.83Å; Y614-Y654 WeakPolarHBondContact CA-O 3.45Å; Y614-C655 HydrophobicContact CD1-CB 3.54Å; Y614-C655 HydrophobicContact CE1-CB 3.7Å; Y614-C655 HydrophobicContact CG-CB 4.3Å
615V96.5Very high89.5Confident6 Ų650.4 Ų50.44%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-125.1125.4174.5-1780000107.5K613 L629 Y631 L653 Y654 I656K613-V615 HydrophobicContact CD-CG2 4.38Å; K613-V615 HydrophobicContact CG-CG2 4.5Å; V615-L629 HydrophobicContact CG1-CD1 3.54Å; V615-Y631 CarbonylContact C-O 3.5Å; V615-Y631 WeakPolarHBondContact CA-O 3.42Å; V615-L653 CarbonylContact O-C 3.56Å; V615-L653 WeakPolarHBondContact O-CA 3.43Å; V615-L653 VanDerWaalsContact O-CB 3.3Å; V615-L653 WeakPolarHBondContact O-CB 3.43Å; V615-Y654 HydrophobicContact CB-CD1 4.12Å; V615-Y654 HydrophobicContact CB-CD2 4.18Å; V615-Y654 HydrophobicContact CB-CE1 3.71Å; V615-Y654 HydrophobicContact CB-CE2 3.79Å; V615-Y654 HydrophobicContact CB-CG 4.37Å; V615-Y654 HydrophobicContact CG1-CD1 4.43Å; V615-Y654 HydrophobicContact CG1-CE1 3.65Å; V615-Y654 HydrophobicContact CG1-CE2 4.37Å; V615-Y654 HydrophobicContact CG2-CD2 4.45Å; V615-Y654 HydrophobicContact CG2-CE2 3.84Å; V615-Y654 PolarHBondContact N-O 2.83Å; V615-Y654 PolarHBondContact O-N 3.43Å; V615-I656 HydrophobicContact CG2-CD1 4.24Å
616V96.4Very high89.4Confident0 Ų054.7 Ų54.70%031%0.307CS..EExtended strand (participates in β ladder)trans-120133.2-176.1-163.20000110.2M598 W600 V630 Y631 R652 L653M598-V616 HydrophobicContact CE-CB 4.29Å; M598-V616 HydrophobicContact CE-CG1 3.47Å; M598-V616 VanDerWaalsContact CE-CG1 3.47Å; M598-V616 HydrophobicContact SD-CG1 4.14Å; W600-V616 HydrophobicContact CE3-CG2 4.4Å; W600-V616 HydrophobicContact CH2-CG2 3.58Å; W600-V616 HydrophobicContact CZ2-CG2 3.93Å; W600-V616 HydrophobicContact CZ3-CG2 3.84Å; V616-V630 HydrophobicContact CB-CG2 4.12Å; V616-V630 HydrophobicContact CG1-CG2 4.19Å; V616-V630 WeakPolarHBondContact O-CG2 3.28Å; V616-V630 PolarHBondContact O-N 2.79Å; V616-Y631 HydrophobicContact CG2-CD1 4.11Å; V616-Y631 PolarHBondContact N-O 3.18Å; V616-Y631 PolarHBondContact O-N 2.94Å; V616-R652 WeakPolarHBondContact CG1-O 3.37Å; V616-L653 HydrophobicContact CB-CB 4.24Å; V616-L653 HydrophobicContact CG1-CB 4.13Å; V616-L653 HydrophobicContact CG2-CB 3.84Å
617E95.2Very high89.5Confident38 Ų3854.5 Ų54.518%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-118142.3-177.3-62.8176.4169.800110.2W627 G628 A651 R652E617-W627 HydrophobicContact CB-CB 4.25Å; E617-W627 HydrophobicContact CB-CE3 3.9Å; E617-G628 CarbonylContact C-O 3.5Å; E617-G628 VanDerWaalsContact CA-O 3.29Å; E617-G628 WeakPolarHBondContact CA-O 3.47Å; E617-A651 WeakPolarHBondContact O-CA 3.41Å; E617-R652 HydrophobicContact CB-CG 4.18Å; E617-R652 PolarHBondContact N-O 3.37Å; E617-R652 PolarHBondContact O-N 3.05Å; E617-R652 IonicContact OE2-CZ 2.7Å; E617-R652 IonicContact OE2-NE 2.66Å; E617-R652 PolarHBondContact OE2-NE 2.84Å; E617-R652 IonicContact OE2-NH2 2.84Å; E617-R652 PolarHBondContact OE2-NH2 2.79Å
618L95.8Very high89.7Confident18 Ų1856.3 Ų56.39%0.09432%0.32CS..EExtended strand (participates in β ladder)trans-126.5129.3179.3-166.973.8000110.3F596 G628 V630 C640 L643 Y649 Q650 A651F596-L618 HydrophobicContact CE1-CD1 4.21Å; F596-L618 HydrophobicContact CZ-CD1 3.83Å; L618-G628 PolarHBondContact N-O 3.11Å; L618-G628 PolarHBondContact O-N 2.99Å; L618-V630 HydrophobicContact CB-CG1 3.6Å; L618-V630 HydrophobicContact CB-CG2 4.16Å; L618-V630 HydrophobicContact CD2-CG1 4.12Å; L618-C640 HydrophobicContact CD2-CB 4.33Å; L618-L643 HydrophobicContact CD2-CD2 3.66Å; L618-Y649 HydrophobicContact CD2-CD1 4.03Å; L618-Y649 HydrophobicContact CG-CD1 4.16Å; L618-Q650 CarbonylContact C-O 3.47Å; L618-Q650 WeakPolarHBondContact CA-O 3.49Å; L618-A651 HydrophobicContact CD1-CB 3.81Å
619S93.8Very high90.1Very high2 Ų260.6 Ų60.61%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-106.2136.6168178.10000109.6L626 Y649 Q650S619-L626 WeakPolarHBondContact CA-O 3.19Å; S619-L626 VanDerWaalsContact CB-O 3.3Å; S619-L626 WeakPolarHBondContact CB-O 3.33Å; S619-L626 PolarHBondContact OG-O 2.64Å; S619-Y649 WeakPolarHBondContact O-CA 3.49Å; S619-Q650 PolarHBondContact N-O 3.44Å; S619-Q650 PolarHBondContact O-N 3.49Å
620E90.7Very high90.4Very high93 Ų9362.3 Ų62.344%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-73.3142.8163.7-171.7175.1162.500109.6K644 Y649E620-K644 WeakPolarHBondContact OE1-CD 3.33Å; E620-K644 IonicContact OE1-NZ 3.2Å; E620-K644 PolarHBondContact OE1-NZ 2.88Å; E620-K644 IonicContact OE2-NZ 3.53Å; E620-K644 PolarHBondContact OE2-NZ 2.8Å; E620-Y649 HydrophobicContact CB-CD1 4.33Å; E620-Y649 HydrophobicContact CB-CE1 3.93Å; E620-Y649 HydrophobicContact CG-CE1 3.86Å
621G85.1Confident90.7Very high25 Ų2556.5 Ų56.526%0.25832%0.316SS..SBendtrans75-168.5-177.400000114.1C648G621-C648 VanDerWaalsContact CA-O 3.24Å; G621-C648 WeakPolarHBondContact CA-O 3.34Å; G621-C648 PolarHBondContact N-O 2.95Å
622L82.8Confident90.8Very high97 Ų9757.6 Ų57.651%0.50833%0.325SS..SBendtrans-1052.9178.7-64.7176.1000113.6C648 Q650L622-C648 HydrophobicContact CD1-CB 4.44Å; L622-C648 HydrophobicContact CD2-CB 3.81Å; L622-C648 HydrophobicContact CG-CB 3.82Å; L622-Q650 HydrophobicContact CD2-CG 4.32Å; L622-Q650 PolarHBondContact O-NE2 2.9Å
623S75.3Confident90.9Very high79 Ų7953.8 Ų53.855%0.55230%0.304SS*.SBendtrans-81-22.8-172.259.10000114.3L625S623-L625 PolarHBondContact O-N 2.83Å; S623-L625 VanDerWaalsContact O-N 3.16Å
624G76.6Confident90.8Very high22 Ų2255.1 Ų55.123%0.22732%0.32CS..  trans59.522.7-177.100000114.2W627G624-W627 PolarHBondContact O-NE1 3.27Å
625L78.8Confident90.7Very high142 Ų14256.4 Ų56.474%0.74333%0.332SS*.  trans-79.4-33-175.1-80.3167.6000113.6S623S623-L625 PolarHBondContact O-N 2.83Å; S623-L625 VanDerWaalsContact O-N 3.16Å
626L87.9Confident90.6Very high144 Ų14459.5 Ų59.575%0.75435%0.348SS*.  trans-135.2116.2-175.9-67.3175.5000109.5S619S619-L626 WeakPolarHBondContact CA-O 3.19Å; S619-L626 VanDerWaalsContact CB-O 3.3Å; S619-L626 WeakPolarHBondContact CB-O 3.33Å; S619-L626 PolarHBondContact OG-O 2.64Å
627W93.1Very high90.6Very high62 Ų6264 Ų6424%0.23537%0.369CS..  trans-108.7116.6-178.4-6685.3000109.8E617 G624 Q650 R652 T667E617-W627 HydrophobicContact CB-CB 4.25Å; E617-W627 HydrophobicContact CB-CE3 3.9Å; G624-W627 PolarHBondContact O-NE1 3.27Å; W627-Q650 HydrophobicContact CH2-CB 3.7Å; W627-Q650 HydrophobicContact CZ3-CB 4.15Å; W627-Q650 VanDerWaalsContact CZ3-O 3.24Å; W627-Q650 WeakPolarHBondContact CZ3-O 3.33Å; W627-R652 VanDerWaalsContact CD2-CZ 3.44Å; W627-R652 VanDerWaalsContact CE2-CZ 3.44Å; W627-R652 HydrophobicContact CE3-CG 3.84Å; W627-R652 HydrophobicContact CH2-CB 4.46Å; W627-R652 HydrophobicContact CH2-CG 4.03Å; W627-R652 HydrophobicContact CZ3-CB 4.14Å; W627-R652 HydrophobicContact CZ3-CG 3.5Å; W627-T667 HydrophobicContact CH2-CG2 4.17Å
628G92.4Very high90.6Very high38 Ų3864.1 Ų64.139%0.39237%0.37SS..EExtended strand (participates in β ladder)trans-91.8138.7173.200000111.5E617 L618 V630E617-G628 CarbonylContact C-O 3.5Å; E617-G628 VanDerWaalsContact CA-O 3.29Å; E617-G628 WeakPolarHBondContact CA-O 3.47Å; L618-G628 PolarHBondContact N-O 3.11Å; L618-G628 PolarHBondContact O-N 2.99Å; G628-V630 PolarHBondContact O-N 2.85Å
629L94.8Very high90.6Very high118 Ų11866.3 Ų66.362%0.61838%0.384SS*.EExtended strand (participates in β ladder)trans-69.4119.8170.4174.463.6000109.7V615 Y631V615-L629 HydrophobicContact CG1-CD1 3.54Å; L629-Y631 VanDerWaalsContact CD1-O 3.27Å; L629-Y631 WeakPolarHBondContact CD1-O 3.33Å
630V94.9Very high90.7Very high50 Ų5066.3 Ų66.330%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-108.3-30.7175.3-660000112.9M598 V616 L618 G628 H638M598-V630 HydrophobicContact CE-CG2 4.42Å; V616-V630 HydrophobicContact CB-CG2 4.12Å; V616-V630 HydrophobicContact CG1-CG2 4.19Å; V616-V630 WeakPolarHBondContact O-CG2 3.28Å; V616-V630 PolarHBondContact O-N 2.79Å; L618-V630 HydrophobicContact CB-CG1 3.6Å; L618-V630 HydrophobicContact CB-CG2 4.16Å; L618-V630 HydrophobicContact CD2-CG1 4.12Å; G628-V630 PolarHBondContact O-N 2.85Å; V630-H638 PolarHBondContact O-CE1 3.28Å; V630-H638 PolarHBondContact O-NE2 3.12Å
631Y96.3Very high90.8Very high46 Ų4667.4 Ų67.418%0.1839%0.393CS..EExtended strand (participates in β ladder)trans-142.8142.2178.4-174.2-104.6000113.1W600 V615 V616 L629 G633 A635 H638W600-Y631 AromaticContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CE1 4.26Å; W600-Y631 HydrophobicContact CH2-CG 4.46Å; W600-Y631 AromaticContact CZ2-CD1 3.89Å; W600-Y631 HydrophobicContact CZ2-CD1 3.89Å; W600-Y631 AromaticContact CZ2-CE1 3.98Å; W600-Y631 HydrophobicContact CZ2-CE1 3.98Å; V615-Y631 CarbonylContact C-O 3.5Å; V615-Y631 WeakPolarHBondContact CA-O 3.42Å; V616-Y631 HydrophobicContact CG2-CD1 4.11Å; V616-Y631 PolarHBondContact N-O 3.18Å; V616-Y631 PolarHBondContact O-N 2.94Å; L629-Y631 VanDerWaalsContact CD1-O 3.27Å; L629-Y631 WeakPolarHBondContact CD1-O 3.33Å; Y631-G633 VanDerWaalsContact CE1-N 3.33Å; Y631-G633 WeakPolarHBondContact CE1-O 3.45Å; Y631-G633 VanDerWaalsContact OH-C 3.25Å; Y631-G633 WeakPolarHBondContact OH-CA 3.47Å; Y631-A635 HydrophobicContact CE1-CB 4.37Å; Y631-A635 WeakPolarHBondContact OH-CB 3.44Å; Y631-A635 PolarHBondContact OH-N 3.23Å; Y631-H638 HydrophobicContact CD2-CB 4.26Å; Y631-H638 AromaticContact CD2-CG 3.96Å; Y631-H638 AromaticContact CD2-ND1 3.62Å; Y631-H638 HydrophobicContact CG-CB 4.18Å
632S96.1Very high91Very high57 Ų5769.9 Ų69.940%0.39942%0.418SS..EExtended strand (participates in β ladder)trans-147.2100.5168.9157.80000109.9K613 Y614K613-S632 PolarHBondContact NZ-OG 2.94Å; Y614-S632 WeakPolarHBondContact O-CA 3.44Å
633G94.5Very high91.4Very high9 Ų966 Ų669%0.09340%0.398CS..EExtended strand (participates in β ladder)trans180-176.7-179.200000113.9K613 Y614 Y631K613-G633 WeakPolarHBondContact CA-O 3.31Å; Y614-G633 PolarHBondContact N-O 3.36Å; Y614-G633 PolarHBondContact O-N 2.96Å; Y631-G633 VanDerWaalsContact CE1-N 3.33Å; Y631-G633 WeakPolarHBondContact CE1-O 3.45Å; Y631-G633 VanDerWaalsContact OH-C 3.25Å; Y631-G633 WeakPolarHBondContact OH-CA 3.47Å
634P94.4Very high92.2Very high101 Ų10167.2 Ų67.266%0.65639%0.393SS*.SBendtrans-83.4-5.3-172.433.3-36.8000114.9
635A94.1Very high92.9Very high37 Ų3768 Ų6831%0.30639%0.394SS..  trans-70.1160.2-177.600000112.6W600 Y614 Y631W600-A635 WeakPolarHBondContact CZ2-O 3.45Å; W600-A635 PolarHBondContact NE1-O 2.83Å; Y614-A635 VanDerWaalsContact CD2-O 3.31Å; Y614-A635 WeakPolarHBondContact CD2-O 3.47Å; Y631-A635 HydrophobicContact CE1-CB 4.37Å; Y631-A635 WeakPolarHBondContact OH-CB 3.44Å; Y631-A635 PolarHBondContact OH-N 3.23Å
636L94.8Very high93.3Very high71 Ų7161.7 Ų61.737%0.37236%0.363SS..SBendtrans-103.45.6176.6-66.7176.1000113.1A599 W600 P602 Y614A599-L636 CarbonylContact C-O 3.56Å; A599-L636 VanDerWaalsContact CA-O 3.23Å; A599-L636 WeakPolarHBondContact CA-O 3.22Å; A599-L636 WeakPolarHBondContact CB-O 3.44Å; W600-L636 PolarHBondContact N-O 3.33Å; P602-L636 HydrophobicContact CG-CD1 4.09Å; P602-L636 HydrophobicContact CG-CD2 4.07Å; Y614-L636 HydrophobicContact CD2-CD2 4.23Å; Y614-L636 HydrophobicContact CE1-CD2 4.3Å; Y614-L636 HydrophobicContact CE2-CD2 3.53Å
637E95.6Very high93.5Very high94 Ų9456.6 Ų56.644%0.43934%0.339SS..EExtended strand (participates in β ladder)trans-149.6152.3176.652.5164.4-138.300111.8K597 M598 A599K597-E637 VanDerWaalsContact CE-OE1 3.26Å; K597-E637 WeakPolarHBondContact CE-OE1 3.17Å; K597-E637 WeakPolarHBondContact CE-OE2 3.49Å; K597-E637 IonicContact NZ-OE1 3.47Å; K597-E637 PolarHBondContact NZ-OE1 2.99Å; K597-E637 IonicContact NZ-OE2 2.75Å; K597-E637 PolarHBondContact NZ-OE2 3.18Å; M598-E637 VanDerWaalsContact O-CA 3.28Å; M598-E637 WeakPolarHBondContact O-CA 3.35Å; M598-E637 WeakPolarHBondContact O-CB 3.25Å; A599-E637 HydrophobicContact CB-CB 3.88Å
638H95.9Very high93.4Very high42 Ų4255.3 Ų55.319%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-152.8151.9178.4174.766.9000110.3K597 M598 W600 V630 Y631K597-H638 WeakPolarHBondContact CA-O 3.45Å; M598-H638 HydrophobicContact CE-CB 4.48Å; M598-H638 PolarHBondContact N-O 3.04Å; M598-H638 PolarHBondContact O-N 3.39Å; W600-H638 HydrophobicContact CH2-CB 3.71Å; W600-H638 HydrophobicContact CZ3-CB 3.96Å; V630-H638 PolarHBondContact O-CE1 3.28Å; V630-H638 PolarHBondContact O-NE2 3.12Å; Y631-H638 HydrophobicContact CD2-CB 4.26Å; Y631-H638 AromaticContact CD2-CG 3.96Å; Y631-H638 AromaticContact CD2-ND1 3.62Å; Y631-H638 HydrophobicContact CG-CB 4.18Å
639V96.1Very high93.5Very high63 Ų6354 Ų5438%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-103.8116.2171.7-178.40000107.1F596 K597F596-V639 WeakPolarHBondContact O-CA 3.22Å; K597-V639 HydrophobicContact CB-CG2 4.02Å; K597-V639 HydrophobicContact CD-CG2 4.15Å; K597-V639 HydrophobicContact CG-CG2 3.82Å
640C94Very high93.5Very high2 Ų249.2 Ų49.21%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-79125.9163.2-67.50000107.9S595 F596 M598 L618 L643S595-C640 CarbonylContact C-O 3.42Å; S595-C640 WeakPolarHBondContact CA-O 3.18Å; S595-C640 VanDerWaalsContact CB-O 3.23Å; S595-C640 WeakPolarHBondContact CB-O 3.49Å; F596-C640 HydrophobicContact CD1-CB 4.28Å; F596-C640 HydrophobicContact CE1-CB 3.87Å; F596-C640 HydrophobicContact CE2-CB 4.31Å; F596-C640 HydrophobicContact CZ-CB 3.89Å; F596-C640 PolarHBondContact N-O 2.76Å; F596-C640 PolarHBondContact O-N 3.08Å; M598-C640 WeakPolarHBondContact CE-SG 3.41Å; L618-C640 HydrophobicContact CD2-CB 4.33Å; C640-L643 HydrophobicContact CB-CD1 4.31Å
641D93Very high93.5Very high117 Ų11746.9 Ų46.963%0.62628%0.283SS*.  trans-125.3-176.3176.557.37.5000111.1D594 L643D594-D641 CarbonylContact O-C 3.41Å; D594-D641 WeakPolarHBondContact O-CA 3.48Å; D641-L643 PolarHBondContact O-N 2.91Å
642G89.4Confident93.4Very high76 Ų7647.1 Ų47.178%0.78428%0.284SS*.SBendtrans66.917.1-176.800000114.7D594D594-G642 PolarHBondContact O-N 3.31Å
643L92.8Very high93.4Very high17 Ų1744.4 Ų44.49%0.08927%0.265CS..PPolyproline II helixtrans-79.3159.5-176.6-48.8-179.9000111.7D594 F596 L618 C640 D641 Y649 T672D594-L643 WeakPolarHBondContact CA-O 3.11Å; D594-L643 VanDerWaalsContact O-CB 3.29Å; D594-L643 WeakPolarHBondContact O-CB 3.38Å; D594-L643 WeakPolarHBondContact O-CG 3.26Å; D594-L643 PolarHBondContact O-N 3.31Å; F596-L643 HydrophobicContact CD1-CD1 3.38Å; F596-L643 HydrophobicContact CE1-CD1 3.55Å; L618-L643 HydrophobicContact CD2-CD2 3.66Å; C640-L643 HydrophobicContact CB-CD1 4.31Å; D641-L643 PolarHBondContact O-N 2.91Å; L643-Y649 HydrophobicContact CB-CE2 3.91Å; L643-Y649 HydrophobicContact CD1-CD2 4.41Å; L643-Y649 HydrophobicContact CD1-CE2 4.4Å; L643-Y649 HydrophobicContact CD2-CD1 4.34Å; L643-Y649 HydrophobicContact CD2-CE1 3.99Å; L643-Y649 HydrophobicContact CD2-CE2 4.37Å; L643-Y649 HydrophobicContact CG-CE2 4.46Å; L643-T672 HydrophobicContact CB-CG2 4.13Å; L643-T672 HydrophobicContact CD1-CG2 3.99Å
644K90.6Very high93.5Very high104 Ų10445.8 Ų45.845%0.45227%0.267SS..PPolyproline II helixtrans-89.5134.8174.6-61.3169.6-167.3161.50109.3P593 E620 C647 Y649 T672P593-K644 CarbonylContact O-C 3.56Å; E620-K644 WeakPolarHBondContact OE1-CD 3.33Å; E620-K644 IonicContact OE1-NZ 3.2Å; E620-K644 PolarHBondContact OE1-NZ 2.88Å; E620-K644 IonicContact OE2-NZ 3.53Å; E620-K644 PolarHBondContact OE2-NZ 2.8Å; K644-C647 HydrophobicContact CB-CB 4.23Å; K644-Y649 PolarHBondContact N-OH 3.42Å; K644-T672 PolarHBondContact O-OG1 2.9Å
645P91.1Very high93.5Very high38 Ų3841 Ų4125%0.24724%0.236CC..THydrogen-bonded Turntrans-54.9150171.4-29.437.2000113.4P593 C647 V675 G705 G706P593-P645 HydrophobicContact CB-CB 4Å; P593-P645 HydrophobicContact CB-CG 3.84Å; P593-P645 VanDerWaalsContact O-CA 3.27Å; P593-P645 WeakPolarHBondContact O-CA 3.12Å; P645-C647 PolarHBondContact O-N 2.84Å; P645-C647 PolarHBondContact O-SG 3.48Å; P645-V675 HydrophobicContact CB-CG1 4.36Å; P645-V675 HydrophobicContact CB-CG2 3.99Å; P645-V675 HydrophobicContact CG-CG1 4.26Å; P645-V675 HydrophobicContact CG-CG2 3.98Å; P645-G705 WeakPolarHBondContact CB-O 3.39Å; P645-G706 VanDerWaalsContact O-CA 3.31Å; P645-G706 WeakPolarHBondContact O-CA 3.5Å
646G88.4Confident93.5Very high9 Ų941.2 Ų41.29%0.09323%0.232CC..THydrogen-bonded Turntrans67.2-9.4177.600000116.9Q671 T672 P673 G706G646-Q671 WeakPolarHBondContact O-CG 3.41Å; G646-Q671 PolarHBondContact O-NE2 2.78Å; G646-T672 CarbonylContact C-O 3.56Å; G646-T672 WeakPolarHBondContact CA-O 3.39Å; G646-T672 PolarHBondContact N-O 2.85Å; G646-T672 PolarHBondContact N-OG1 3.23Å; G646-P673 PolarHBondContact N-O 2.7Å; G646-G706 WeakPolarHBondContact CA-O 3.24Å
647C90.5Very high93.5Very high38 Ų3838.1 Ų38.126%0.25722%0.216SC..  trans-82.6143.6-172.2-67.70000112K644 P645 Y649 Q671 T672K644-C647 HydrophobicContact CB-CB 4.23Å; P645-C647 PolarHBondContact O-N 2.84Å; P645-C647 PolarHBondContact O-SG 3.48Å; C647-Y649 HydrophobicContact CB-CD2 4.42Å; C647-Y649 HydrophobicContact CB-CE2 3.65Å; C647-Y649 WeakPolarHBondContact O-CD2 3.08Å; C647-Q671 WeakPolarHBondContact O-CA 3.36Å; C647-T672 PolarHBondContact N-OG1 2.85Å; C647-T672 PolarHBondContact O-N 3.5Å; C647-T672 PolarHBondContact O-OG1 2.98Å
648C91.8Very high93.3Very high35 Ų3541.3 Ų41.324%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-80.7141.9168.9-62.70000109.9G621 L622 V670G621-C648 VanDerWaalsContact CA-O 3.24Å; G621-C648 WeakPolarHBondContact CA-O 3.34Å; G621-C648 PolarHBondContact N-O 2.95Å; L622-C648 HydrophobicContact CD1-CB 4.44Å; L622-C648 HydrophobicContact CD2-CB 3.81Å; L622-C648 HydrophobicContact CG-CB 3.82Å; C648-V670 CarbonylContact C-O 3.46Å; C648-V670 WeakPolarHBondContact CA-O 3.31Å
649Y93.7Very high92.9Very high9 Ų940.6 Ų40.64%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-131.7150.4175-69.2-85.6000110.4L618 S619 E620 L643 K644 C647 V670 T672L618-Y649 HydrophobicContact CD2-CD1 4.03Å; L618-Y649 HydrophobicContact CG-CD1 4.16Å; S619-Y649 WeakPolarHBondContact O-CA 3.49Å; E620-Y649 HydrophobicContact CB-CD1 4.33Å; E620-Y649 HydrophobicContact CB-CE1 3.93Å; E620-Y649 HydrophobicContact CG-CE1 3.86Å; L643-Y649 HydrophobicContact CB-CE2 3.91Å; L643-Y649 HydrophobicContact CD1-CD2 4.41Å; L643-Y649 HydrophobicContact CD1-CE2 4.4Å; L643-Y649 HydrophobicContact CD2-CD1 4.34Å; L643-Y649 HydrophobicContact CD2-CE1 3.99Å; L643-Y649 HydrophobicContact CD2-CE2 4.37Å; L643-Y649 HydrophobicContact CG-CE2 4.46Å; K644-Y649 PolarHBondContact N-OH 3.42Å; C647-Y649 HydrophobicContact CB-CD2 4.42Å; C647-Y649 HydrophobicContact CB-CE2 3.65Å; C647-Y649 WeakPolarHBondContact O-CD2 3.08Å; Y649-V670 PolarHBondContact N-O 2.95Å; Y649-V670 PolarHBondContact O-N 3.15Å; Y649-T672 HydrophobicContact CD2-CG2 4.26Å; Y649-T672 HydrophobicContact CE2-CG2 4.12Å
650Q94.8Very high92.6Very high19 Ų1938.9 Ų38.99%0.08923%0.23CC..EExtended strand (participates in β ladder)trans-117.6122.5173.9-70.7-174.8-12.500109.5L618 S619 L622 W627 T667 L668 Q669L618-Q650 CarbonylContact C-O 3.47Å; L618-Q650 WeakPolarHBondContact CA-O 3.49Å; S619-Q650 PolarHBondContact N-O 3.44Å; S619-Q650 PolarHBondContact O-N 3.49Å; L622-Q650 HydrophobicContact CD2-CG 4.32Å; L622-Q650 PolarHBondContact O-NE2 2.9Å; W627-Q650 HydrophobicContact CH2-CB 3.7Å; W627-Q650 HydrophobicContact CZ3-CB 4.15Å; W627-Q650 VanDerWaalsContact CZ3-O 3.24Å; W627-Q650 WeakPolarHBondContact CZ3-O 3.33Å; Q650-T667 HydrophobicContact CB-CG2 3.66Å; Q650-T667 HydrophobicContact CG-CG2 3.96Å; Q650-L668 CarbonylContact C-O 3.5Å; Q650-L668 WeakPolarHBondContact CA-O 3.36Å; Q650-Q669 HydrophobicContact CG-CG 4.25Å
651A94.9Very high92.6Very high0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-115.3136.5177.500000110.8F596 M598 E617 L618 T667 L668F596-A651 HydrophobicContact CZ-CB 4.42Å; M598-A651 HydrophobicContact SD-CB 4.06Å; E617-A651 WeakPolarHBondContact O-CA 3.41Å; L618-A651 HydrophobicContact CD1-CB 3.81Å; A651-T667 CarbonylContact O-C 3.19Å; A651-T667 WeakPolarHBondContact O-CA 3.32Å; A651-L668 HydrophobicContact CB-CB 4.35Å; A651-L668 PolarHBondContact N-O 3.06Å; A651-L668 PolarHBondContact O-N 2.91Å
652R94.9Very high92.7Very high52 Ų5237.9 Ų37.920%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-144154.2174.770.1-174.5-172.4-164.8-0110V616 E617 W627 L664V616-R652 WeakPolarHBondContact CG1-O 3.37Å; E617-R652 HydrophobicContact CB-CG 4.18Å; E617-R652 PolarHBondContact N-O 3.37Å; E617-R652 PolarHBondContact O-N 3.05Å; E617-R652 IonicContact OE2-CZ 2.7Å; E617-R652 IonicContact OE2-NE 2.66Å; E617-R652 PolarHBondContact OE2-NE 2.84Å; E617-R652 IonicContact OE2-NH2 2.84Å; E617-R652 PolarHBondContact OE2-NH2 2.79Å; W627-R652 VanDerWaalsContact CD2-CZ 3.44Å; W627-R652 VanDerWaalsContact CE2-CZ 3.44Å; W627-R652 HydrophobicContact CE3-CG 3.84Å; W627-R652 HydrophobicContact CH2-CB 4.46Å; W627-R652 HydrophobicContact CH2-CG 4.03Å; W627-R652 HydrophobicContact CZ3-CB 4.14Å; W627-R652 HydrophobicContact CZ3-CG 3.5Å; R652-L664 HydrophobicContact CG-CD2 4.06Å
653L96.3Very high93Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-134.1161.117770.7138.4000113.3P582 P585 W600 Y614 V615 V616 L664 S665P582-L653 HydrophobicContact CB-CD1 3.65Å; P582-L653 HydrophobicContact CB-CG 4.01Å; P582-L653 HydrophobicContact CG-CD1 3.83Å; P582-L653 HydrophobicContact CG-CG 4.16Å; P585-L653 HydrophobicContact CB-CD2 3.74Å; P585-L653 HydrophobicContact CG-CD2 3.56Å; W600-L653 HydrophobicContact CB-CD1 3.98Å; W600-L653 HydrophobicContact CB-CD2 3.94Å; W600-L653 HydrophobicContact CD2-CD1 3.94Å; W600-L653 HydrophobicContact CD2-CD2 4.42Å; W600-L653 HydrophobicContact CG-CD1 3.53Å; W600-L653 HydrophobicContact CG-CD2 4.16Å; Y614-L653 HydrophobicContact CD1-CD1 3.83Å; V615-L653 CarbonylContact O-C 3.56Å; V615-L653 WeakPolarHBondContact O-CA 3.43Å; V615-L653 VanDerWaalsContact O-CB 3.3Å; V615-L653 WeakPolarHBondContact O-CB 3.43Å; V616-L653 HydrophobicContact CB-CB 4.24Å; V616-L653 HydrophobicContact CG1-CB 4.13Å; V616-L653 HydrophobicContact CG2-CB 3.84Å; L653-L664 CarbonylContact O-C 3.55Å; L653-L664 WeakPolarHBondContact O-CA 3.47Å; L653-S665 PolarHBondContact N-OG 3.05Å; L653-S665 WeakPolarHBondContact O-CB 3.41Å; L653-S665 PolarHBondContact O-N 2.98Å; L653-S665 PolarHBondContact O-OG 3.41Å
654Y95.9Very high93Very high37 Ų3739.7 Ų39.715%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-133.3174.3162.962.6-88.7000109.6Y614 V615 I656 Q661 L664Y614-Y654 WeakPolarHBondContact CA-O 3.45Å; V615-Y654 HydrophobicContact CB-CD1 4.12Å; V615-Y654 HydrophobicContact CB-CD2 4.18Å; V615-Y654 HydrophobicContact CB-CE1 3.71Å; V615-Y654 HydrophobicContact CB-CE2 3.79Å; V615-Y654 HydrophobicContact CB-CG 4.37Å; V615-Y654 HydrophobicContact CG1-CD1 4.43Å; V615-Y654 HydrophobicContact CG1-CE1 3.65Å; V615-Y654 HydrophobicContact CG1-CE2 4.37Å; V615-Y654 HydrophobicContact CG2-CD2 4.45Å; V615-Y654 HydrophobicContact CG2-CE2 3.84Å; V615-Y654 PolarHBondContact N-O 2.83Å; V615-Y654 PolarHBondContact O-N 3.43Å; Y654-I656 HydrophobicContact CD2-CG1 4.32Å; Y654-I656 HydrophobicContact CE2-CD1 4Å; Y654-I656 HydrophobicContact CE2-CG1 4.16Å; Y654-Q661 VanDerWaalsContact CD2-CD 3.43Å; Y654-Q661 HydrophobicContact CD2-CG 3.57Å; Y654-Q661 VanDerWaalsContact CD2-NE2 3.33Å; Y654-Q661 HydrophobicContact CE2-CG 3.88Å; Y654-Q661 VanDerWaalsContact CE2-NE2 3.3Å; Y654-Q661 HydrophobicContact CG-CG 4.3Å; Y654-L664 HydrophobicContact CD1-CD2 3.71Å; Y654-L664 HydrophobicContact CG-CD2 4.39Å
655C94.9Very high93.2Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-135.7163.3175.669.80000111.8P582 V611 K613 Y614 Q661 S662P582-C655 HydrophobicContact CG-CB 4.32Å; V611-C655 HydrophobicContact CG1-CB 3.63Å; K613-C655 CarbonylContact O-C 3.58Å; K613-C655 VanDerWaalsContact O-CA 3.3Å; K613-C655 WeakPolarHBondContact O-CA 3.46Å; K613-C655 WeakPolarHBondContact O-CB 3.33Å; Y614-C655 HydrophobicContact CD1-CB 3.54Å; Y614-C655 HydrophobicContact CE1-CB 3.7Å; Y614-C655 HydrophobicContact CG-CB 4.3Å; C655-Q661 WeakPolarHBondContact O-CA 3.28Å; C655-S662 PolarHBondContact N-OG 2.88Å; C655-S662 PolarHBondContact O-N 2.97Å; C655-S662 PolarHBondContact O-OG 3.01Å; C655-S662 VanDerWaalsContact O-OG 3.11Å; C655-S662 PolarHBondContact SG-OG 2.94Å
656I94.1Very high93.3Very high43 Ų4340 Ų4022%0.22122%0.217CC..EExtended strand (participates in β ladder)trans-129.4124.4-175.9-65.4159.4000109T612 K613 V615 Y654 G660 Q661T612-I656 PolarHBondContact N-O 2.98Å; T612-I656 PolarHBondContact OG1-O 2.9Å; K613-I656 HydrophobicContact CG-CB 4.4Å; K613-I656 HydrophobicContact CG-CD1 4.22Å; K613-I656 PolarHBondContact O-N 2.88Å; V615-I656 HydrophobicContact CG2-CD1 4.24Å; Y654-I656 HydrophobicContact CD2-CG1 4.32Å; Y654-I656 HydrophobicContact CE2-CD1 4Å; Y654-I656 HydrophobicContact CE2-CG1 4.16Å; I656-G660 WeakPolarHBondContact CA-O 3.26Å; I656-Q661 HydrophobicContact CG1-CB 4.28Å
657S94.1Very high93.5Very high5 Ų541.7 Ų41.74%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-112.1-177.5163.272.20000110.1P579 E610 G659 G660P579-S657 WeakPolarHBondContact CD-OG 3.3Å; P579-S657 WeakPolarHBondContact CG-OG 3.31Å; E610-S657 WeakPolarHBondContact O-CA 3.35Å; E610-S657 WeakPolarHBondContact O-CB 3.44Å; S657-G659 PolarHBondContact O-N 2.84Å; S657-G659 PolarHBondContact OG-N 3.45Å; S657-G660 PolarHBondContact N-O 3.21Å; S657-G660 VanDerWaalsContact N-O 3.08Å; S657-G660 PolarHBondContact O-N 2.85Å
658E91.3Very high93.7Very high161 Ų16140.4 Ų40.475%0.75222%0.216SC*.THydrogen-bonded Turntrans-56.6-33.4171.5-171.1-174.3155.100112.7P576 A609 G660P576-E658 HydrophobicContact CG-CB 4.15Å; P576-E658 HydrophobicContact CG-CG 4.28Å; A609-E658 HydrophobicContact CB-CB 4.04Å; E658-G660 PolarHBondContact O-N 3.17Å
659G87.4Confident93.9Very high28 Ų2844 Ų4429%0.28923%0.229SC..THydrogen-bonded Turntrans-74.1-3.1174.600000114.5D577 R578 S657D577-G659 WeakPolarHBondContact O-CA 3.34Å; R578-G659 PolarHBondContact N-O 2.84Å; S657-G659 PolarHBondContact O-N 2.84Å; S657-G659 PolarHBondContact OG-N 3.45Å
660G90.4Very high93.9Very high26 Ų2644.2 Ų44.227%0.26823%0.232SC..EExtended strand (participates in β ladder)trans113.4-162.7170.900000114.9P579 I656 S657 E658P579-G660 WeakPolarHBondContact CD-O 3.2Å; I656-G660 WeakPolarHBondContact CA-O 3.26Å; S657-G660 PolarHBondContact N-O 3.21Å; S657-G660 VanDerWaalsContact N-O 3.08Å; S657-G660 PolarHBondContact O-N 2.85Å; E658-G660 PolarHBondContact O-N 3.17Å
661Q93.8Very high93.8Very high97 Ų9748.4 Ų48.445%0.45325%0.251SS..EExtended strand (participates in β ladder)trans-81.2130.8-178.9167.5166.6-6.600111.8R578 Y654 C655 I656R578-Q661 VanDerWaalsContact CD-O 3.25Å; R578-Q661 WeakPolarHBondContact CD-O 3.49Å; Y654-Q661 VanDerWaalsContact CD2-CD 3.43Å; Y654-Q661 HydrophobicContact CD2-CG 3.57Å; Y654-Q661 VanDerWaalsContact CD2-NE2 3.33Å; Y654-Q661 HydrophobicContact CE2-CG 3.88Å; Y654-Q661 VanDerWaalsContact CE2-NE2 3.3Å; Y654-Q661 HydrophobicContact CG-CG 4.3Å; C655-Q661 WeakPolarHBondContact O-CA 3.28Å; I656-Q661 HydrophobicContact CG1-CB 4.28Å
662S95.9Very high93.7Very high2 Ų248.5 Ų48.51%0.01425%0.252CS..PPolyproline II helixtrans-75160.1171.162.10000112.9P579 S580 C655P579-S662 WeakPolarHBondContact O-CA 3.49Å; P579-S662 WeakPolarHBondContact O-CB 3.19Å; S580-S662 VanDerWaalsContact O-CB 3.22Å; S580-S662 WeakPolarHBondContact O-CB 3.42Å; C655-S662 PolarHBondContact N-OG 2.88Å; C655-S662 PolarHBondContact O-N 2.97Å; C655-S662 PolarHBondContact O-OG 3.01Å; C655-S662 VanDerWaalsContact O-OG 3.11Å; C655-S662 PolarHBondContact SG-OG 2.94Å
663P94.6Very high93.6Very high60 Ų6048.6 Ų48.639%0.3926%0.259SS..PPolyproline II helixtrans-60.4152.7167.9-18.331.5000111.6C581 P582C581-P663 WeakPolarHBondContact CA-O 3.46Å; C581-P663 HydrophobicContact CB-CB 4.27Å; P582-P663 WeakPolarHBondContact CD-O 3.37Å
664L93.8Very high93.3Very high71 Ų7149.2 Ų49.237%0.37226%0.264SS..PPolyproline II helixtrans-58.8146.3175.5-70.6162.4000111.8R652 L653 Y654R652-L664 HydrophobicContact CG-CD2 4.06Å; L653-L664 CarbonylContact O-C 3.55Å; L653-L664 WeakPolarHBondContact O-CA 3.47Å; Y654-L664 HydrophobicContact CD1-CD2 3.71Å; Y654-L664 HydrophobicContact CG-CD2 4.39Å
665S95.3Very high93.2Very high8 Ų849.8 Ų49.86%0.05627%0.271CS..PPolyproline II helixtrans-64.5163.7169.274.80000111.2P582 L653P582-S665 WeakPolarHBondContact O-CB 3.47Å; L653-S665 PolarHBondContact N-OG 3.05Å; L653-S665 WeakPolarHBondContact O-CB 3.41Å; L653-S665 PolarHBondContact O-N 2.98Å; L653-S665 PolarHBondContact O-OG 3.41Å
666E92.6Very high93.1Very high139 Ų13952.3 Ų52.365%0.6529%0.288SS*.PPolyproline II helixtrans-54.5149.5158.7-67.2-179.8-179.900110.6R584R584-E666 HydrophobicContact CB-CB 3.95Å; R584-E666 WeakPolarHBondContact CD-OE2 3.46Å; R584-E666 HydrophobicContact CG-CB 3.84Å
667T93.2Very high93.1Very high46 Ų4650.4 Ų50.428%0.28228%0.278SS..PPolyproline II helixtrans-80.6123.8-179.8-61.40000111R584 W627 Q650 A651 Q669R584-T667 PolarHBondContact NE-O 3.45Å; R584-T667 PolarHBondContact NH2-O 3.32Å; W627-T667 HydrophobicContact CH2-CG2 4.17Å; Q650-T667 HydrophobicContact CB-CG2 3.66Å; Q650-T667 HydrophobicContact CG-CG2 3.96Å; A651-T667 CarbonylContact O-C 3.19Å; A651-T667 WeakPolarHBondContact O-CA 3.32Å; T667-Q669 HydrophobicContact CG2-CG 4.43Å
668L94.5Very high92.9Very high11 Ų1151 Ų516%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-75.7126.8162.4170.963.3000108.4P585 I587 M598 Q650 A651P585-L668 HydrophobicContact CB-CD2 4.31Å; P585-L668 HydrophobicContact CG-CB 3.78Å; P585-L668 HydrophobicContact CG-CD2 4.22Å; I587-L668 HydrophobicContact CD1-CD2 3.83Å; I587-L668 HydrophobicContact CG1-CD1 4.31Å; I587-L668 HydrophobicContact CG1-CD2 4.22Å; M598-L668 HydrophobicContact CB-CD2 4.3Å; Q650-L668 CarbonylContact C-O 3.5Å; Q650-L668 WeakPolarHBondContact CA-O 3.36Å; A651-L668 HydrophobicContact CB-CB 4.35Å; A651-L668 PolarHBondContact N-O 3.06Å; A651-L668 PolarHBondContact O-N 2.91Å
669Q94.9Very high92.9Very high109 Ų10947.1 Ų47.151%0.50927%0.274SS..EExtended strand (participates in β ladder)trans-104.3133.7168.5-59.1-166.4-17.400108.1Q650 T667Q650-Q669 HydrophobicContact CG-CG 4.25Å; T667-Q669 HydrophobicContact CG2-CG 4.43Å
670V93.8Very high93.2Very high15 Ų1546.1 Ų46.19%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-140.8144177.662.80000109.1I587 V591 F596 C648 Y649I587-V670 HydrophobicContact CD1-CB 4.18Å; I587-V670 HydrophobicContact CD1-CG2 3.86Å; I587-V670 HydrophobicContact CG1-CG2 4.35Å; V591-V670 HydrophobicContact CG1-CG2 4.08Å; V591-V670 HydrophobicContact CG2-CG2 3.81Å; F596-V670 HydrophobicContact CD1-CG1 3.78Å; F596-V670 HydrophobicContact CD2-CG1 4.48Å; F596-V670 HydrophobicContact CE1-CG1 3.48Å; F596-V670 VanDerWaalsContact CE1-CG1 3.48Å; F596-V670 HydrophobicContact CE2-CG1 4.21Å; F596-V670 HydrophobicContact CG-CG1 4.3Å; F596-V670 HydrophobicContact CZ-CG1 3.72Å; C648-V670 CarbonylContact C-O 3.46Å; C648-V670 WeakPolarHBondContact CA-O 3.31Å; Y649-V670 PolarHBondContact N-O 2.95Å; Y649-V670 PolarHBondContact O-N 3.15Å
671Q93.4Very high93.2Very high107 Ų10750.5 Ų50.550%0.528%0.279SS..EExtended strand (participates in β ladder)trans-115.4127.5171.3-173.2174.217.900108.3G646 C647G646-Q671 WeakPolarHBondContact O-CG 3.41Å; G646-Q671 PolarHBondContact O-NE2 2.78Å; C647-Q671 WeakPolarHBondContact O-CA 3.36Å
672T93.6Very high93.1Very high2 Ų248.1 Ų48.11%0.01227%0.272CS..PPolyproline II helixtrans-67.6141.3171.450.80000109.3V591 P593 L643 K644 G646 C647 Y649V591-T672 HydrophobicContact CG1-CG2 4.48Å; P593-T672 WeakPolarHBondContact O-CB 3.35Å; P593-T672 WeakPolarHBondContact O-CG2 3.18Å; L643-T672 HydrophobicContact CB-CG2 4.13Å; L643-T672 HydrophobicContact CD1-CG2 3.99Å; K644-T672 PolarHBondContact O-OG1 2.9Å; G646-T672 CarbonylContact C-O 3.56Å; G646-T672 WeakPolarHBondContact CA-O 3.39Å; G646-T672 PolarHBondContact N-O 2.85Å; G646-T672 PolarHBondContact N-OG1 3.23Å; C647-T672 PolarHBondContact N-OG1 2.85Å; C647-T672 PolarHBondContact O-N 3.5Å; C647-T672 PolarHBondContact O-OG1 2.98Å; Y649-T672 HydrophobicContact CD2-CG2 4.26Å; Y649-T672 HydrophobicContact CE2-CG2 4.12Å
673P91.8Very high93Very high54 Ų5448.1 Ų48.135%0.35127%0.272SS..PPolyproline II helixtrans-59.9148.9170.326.3-34000110.2Q592 P593 G646Q592-P673 WeakPolarHBondContact O-CD 3.37Å; P593-P673 HydrophobicContact CB-CG 4.41Å; P593-P673 HydrophobicContact CG-CG 4.03Å; G646-P673 PolarHBondContact N-O 2.7Å
674A91.1Very high92.9Very high13 Ų1351.9 Ų51.911%0.10728%0.278CS..PPolyproline II helixtrans-73151.916800000110.1G705 K755 A756A674-G705 CarbonylContact C-O 3.53Å; A674-G705 VanDerWaalsContact CA-O 3.26Å; A674-G705 WeakPolarHBondContact CA-O 3.19Å; A674-G705 WeakPolarHBondContact CB-O 3.33Å; A674-K755 VanDerWaalsContact CB-CE 3.45Å; A674-K755 HydrophobicContact CB-CG 4.37Å; A674-A756 HydrophobicContact CB-CB 4.34Å; A674-A756 WeakPolarHBondContact O-CB 3.06Å
675V93.1Very high92.9Very high48 Ų4851.3 Ų51.329%0.29128%0.275SS..PPolyproline II helixtrans-99162.9165.3-66.40000109.5P593 P645 G705 N754P593-V675 HydrophobicContact CB-CG1 3.53Å; P593-V675 HydrophobicContact CG-CG1 3.52Å; P645-V675 HydrophobicContact CB-CG1 4.36Å; P645-V675 HydrophobicContact CB-CG2 3.99Å; P645-V675 HydrophobicContact CG-CG1 4.26Å; P645-V675 HydrophobicContact CG-CG2 3.98Å; V675-G705 PolarHBondContact N-O 3.47Å; V675-N754 PolarHBondContact O-ND2 3.35Å; V675-N754 PolarHBondContact O-OD1 3.24Å
676P92.6Very high92.7Very high54 Ų5453.1 Ų53.135%0.35129%0.286SS..PPolyproline II helixtrans-56.7155.6167.5-22.433.6000111.7A756 F758P676-A756 HydrophobicContact CG-CB 4.45Å; P676-F758 VanDerWaalsContact CB-O 3.25Å; P676-F758 WeakPolarHBondContact CB-O 3.47Å
677P93.7Very high92.5Very high2 Ų249.7 Ų49.71%0.01329%0.288CS..PPolyproline II helixtrans-62.7161.5-177.2-21.333.7000113.1P701 V709 A752 N754 G759 P760P677-P701 HydrophobicContact CB-CG 3.78Å; P677-V709 HydrophobicContact CB-CG2 4.21Å; P677-V709 HydrophobicContact CG-CG2 3.93Å; P677-A752 HydrophobicContact CB-CB 3.98Å; P677-A752 HydrophobicContact CG-CB 4.04Å; P677-N754 HydrophobicContact CG-CB 3.86Å; P677-G759 WeakPolarHBondContact O-CA 3.07Å; P677-P760 WeakPolarHBondContact O-CD 3.09Å
678G90.3Very high92.1Very high17 Ų1756.6 Ų56.618%0.17531%0.314CS..PPolyproline II helixtrans-66170.4168.200000112.8C680 P701 V703G678-C680 PolarHBondContact O-N 3.08Å; G678-P701 VanDerWaalsContact O-CB 3.31Å; G678-P701 WeakPolarHBondContact O-CB 3.31Å; G678-V703 PolarHBondContact N-O 2.84Å
679P91.8Very high91.8Very high81 Ų8158.1 Ų58.153%0.52633%0.325SS..PPolyproline II helixtrans-59.2139.4174.425.3-32.9000110.6P760P679-P760 HydrophobicContact CB-CG 3.97Å; P679-P760 HydrophobicContact CG-CG 4.36Å
680C92.4Very high91.4Very high6 Ų657.9 Ų57.94%0.04132%0.322CS..PPolyproline II helixtrans-75.7152.6167.9-67.30000110.3G678 L750 S762G678-C680 PolarHBondContact O-N 3.08Å; C680-L750 HydrophobicContact CB-CD1 3.44Å; C680-L750 VanDerWaalsContact CB-CD1 3.44Å; C680-L750 HydrophobicContact CB-CG 4.03Å; C680-S762 WeakPolarHBondContact O-CB 3.42Å
681L92.1Very high91Very high119 Ų11958.6 Ų58.662%0.62333%0.329SS*.PPolyproline II helixtrans-62.8149.3162.9-64.9176.5000109.5
682P91.2Very high90.8Very high46 Ų4661.3 Ų61.330%0.29934%0.335SS..PPolyproline II helixtrans-54.7149176.9-27.737.2000112.5E763 C765P682-E763 HydrophobicContact CG-CB 3.89Å; P682-C765 HydrophobicContact CB-CB 4.13Å
683P93.4Very high90.7Very high3 Ų363.9 Ų63.92%0.01935%0.347CS..PPolyproline II helixtrans-65.8140.1177.927.1-29.7000109.9L696 W698 F748 L750 C765P683-L696 HydrophobicContact CB-CB 4.21Å; P683-L696 HydrophobicContact CB-CD1 4.46Å; P683-L696 HydrophobicContact CB-CD2 4.44Å; P683-W698 HydrophobicContact CB-CE3 4.36Å; P683-F748 HydrophobicContact CG-CB 3.89Å; P683-L750 HydrophobicContact CB-CD2 3.76Å; P683-L750 HydrophobicContact CG-CD2 4.01Å; P683-C765 HydrophobicContact CG-CB 3.87Å; P683-C765 WeakPolarHBondContact O-CB 3.38Å; P683-C765 PolarHBondContact O-SG 2.88Å
684R92.7Very high90.8Very high138 Ų13861.5 Ų61.552%0.52133%0.331SS..EExtended strand (participates in β ladder)trans-96.7138.4171.454.9176.3-177-66.81.4110.4L696 R697 W698R684-L696 WeakPolarHBondContact O-CA 3.38Å; R684-R697 HydrophobicContact CG-CB 4.48Å; R684-R697 WeakPolarHBondContact CG-O 3.43Å; R684-R697 PolarHBondContact N-O 2.85Å; R684-R697 PolarHBondContact O-N 3.34Å; R684-W698 PolarHBondContact NH1-O 3.3Å
685L93.3Very high90.9Very high59 Ų5964.8 Ų64.831%0.30934%0.344SS..EExtended strand (participates in β ladder)trans-63.8137169.3179.767.4000110.3P689 V694 V767L685-P689 HydrophobicContact CD1-CB 4.39Å; L685-P689 HydrophobicContact CD2-CB 4.09Å; L685-P689 HydrophobicContact CD2-CG 4.17Å; L685-V694 HydrophobicContact CD1-CB 4.04Å; L685-V694 HydrophobicContact CD1-CG1 4.42Å; L685-V767 HydrophobicContact CD1-CG1 4.06Å; L685-V767 HydrophobicContact CD2-CG1 4.17Å
686V91.5Very high91Very high47 Ų4762.5 Ų62.529%0.28533%0.33SS..PPolyproline II helixtrans-102.9121.7174.7-177.40000109.3Q695 R697V686-Q695 HydrophobicContact CB-CB 3.99Å; V686-Q695 PolarHBondContact N-O 3.49Å; V686-R697 HydrophobicContact CG2-CB 3.52Å
687G87.8Confident91.1Very high66 Ų6665 Ų6568%0.6833%0.333SS*.SBendtrans71.9-150.3-179.700000113.6
688K85.7Confident91.2Very high192 Ų19265 Ų6584%0.83533%0.333SS*.SBendtrans-94.4141.5172.7-67.3-176.8178.8-178.80109.2
689P87Confident91.3Very high43 Ų4365.4 Ų65.428%0.27934%0.336SS..PPolyproline II helixtrans-68.8136.1-179.730.2-31.6000109.7L685 V694 T768 G770L685-P689 HydrophobicContact CD1-CB 4.39Å; L685-P689 HydrophobicContact CD2-CB 4.09Å; L685-P689 HydrophobicContact CD2-CG 4.17Å; P689-V694 HydrophobicContact CB-CG1 4.18Å; P689-T768 WeakPolarHBondContact CB-O 3.37Å; P689-T768 WeakPolarHBondContact CG-O 3.48Å; P689-G770 WeakPolarHBondContact O-CA 3.3Å
690K88Confident91.3Very high103 Ų10365.5 Ų65.545%0.44834%0.337SS..PPolyproline II helixtrans-86.1169.3175.3-48-175.6-1591650109.7R692 E693 G770K690-R692 VanDerWaalsContact C-N 3.34Å; K690-R692 PolarHBondContact O-N 3.26Å; K690-E693 HydrophobicContact CB-CB 4.31Å; K690-E693 WeakPolarHBondContact CB-O 3.43Å; K690-E693 HydrophobicContact CD-CB 4.36Å; K690-E693 VanDerWaalsContact CD-OE2 3.31Å; K690-E693 WeakPolarHBondContact CD-OE2 3.16Å; K690-E693 WeakPolarHBondContact CE-OE2 3.45Å; K690-E693 PolarHBondContact N-O 3.35Å; K690-E693 VanDerWaalsContact N-O 3.08Å; K690-E693 IonicContact NZ-OE1 2.8Å; K690-E693 IonicContact NZ-OE2 2.66Å; K690-E693 PolarHBondContact NZ-OE2 3.14Å; K690-G770 PolarHBondContact O-N 2.85Å
691A85.7Confident91.4Very high30 Ų3065.8 Ų65.825%0.24834%0.339CS..SBendtrans-64.1-33-177.400000114.3P742 G770A691-P742 HydrophobicContact CB-CB 4.14Å; A691-P742 HydrophobicContact CB-CG 4.22Å; A691-P742 WeakPolarHBondContact O-CA 3.3Å; A691-P742 WeakPolarHBondContact O-CB 3.34Å; A691-P742 WeakPolarHBondContact O-CG 3.24Å; A691-G770 WeakPolarHBondContact CA-O 3.31Å
692R88.3Confident91.3Very high165 Ų16568.8 Ų68.862%0.62335%0.35SS*.SBendtrans-13012.6-177.2-61.1-168.9171.6-174.5-4.5114.4K690 G738 G739 L740 P742K690-R692 VanDerWaalsContact C-N 3.34Å; K690-R692 PolarHBondContact O-N 3.26Å; R692-G738 CarbonylContact O-C 3.57Å; R692-G738 WeakPolarHBondContact O-CA 3.47Å; R692-G739 PolarHBondContact O-N 2.94Å; R692-L740 WeakPolarHBondContact CA-O 3.28Å; R692-L740 WeakPolarHBondContact CB-O 3.25Å; R692-L740 WeakPolarHBondContact CG-O 3.32Å; R692-L740 PolarHBondContact O-N 3.46Å; R692-L740 VanDerWaalsContact O-N 3.1Å; R692-P742 HydrophobicContact CG-CG 4.2Å
693E91.3Very high91.2Very high56 Ų5671 Ų7126%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-153.9136.7-171.3-175.2-170.2-174.400110.5K690 S736 V737K690-E693 HydrophobicContact CB-CB 4.31Å; K690-E693 WeakPolarHBondContact CB-O 3.43Å; K690-E693 HydrophobicContact CD-CB 4.36Å; K690-E693 VanDerWaalsContact CD-OE2 3.31Å; K690-E693 WeakPolarHBondContact CD-OE2 3.16Å; K690-E693 WeakPolarHBondContact CE-OE2 3.45Å; K690-E693 PolarHBondContact N-O 3.35Å; K690-E693 VanDerWaalsContact N-O 3.08Å; K690-E693 IonicContact NZ-OE1 2.8Å; K690-E693 IonicContact NZ-OE2 2.66Å; K690-E693 PolarHBondContact NZ-OE2 3.14Å; E693-S736 VanDerWaalsContact CD-OG 3.28Å; E693-S736 VanDerWaalsContact CG-OG 3.26Å; E693-S736 WeakPolarHBondContact CG-OG 3.45Å; E693-S736 PolarHBondContact OE1-OG 2.82Å; E693-V737 WeakPolarHBondContact CA-O 3.23Å
694V93.4Very high90.9Very high3 Ų374 Ų742%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-126.9138.4169.3-600000110.4L685 P689 L696 V737 L740 F748 V767 T769L685-V694 HydrophobicContact CD1-CB 4.04Å; L685-V694 HydrophobicContact CD1-CG1 4.42Å; P689-V694 HydrophobicContact CB-CG1 4.18Å; V694-L696 HydrophobicContact CG2-CD2 4.42Å; V694-L696 HydrophobicContact CG2-CG 4.3Å; V694-V737 HydrophobicContact CG2-CB 4.24Å; V694-V737 PolarHBondContact N-O 2.85Å; V694-V737 PolarHBondContact O-N 2.9Å; V694-L740 HydrophobicContact CB-CD1 4.44Å; V694-L740 HydrophobicContact CG1-CD1 4.07Å; V694-L740 HydrophobicContact CG2-CD1 3.76Å; V694-F748 HydrophobicContact CG2-CE1 4.36Å; V694-F748 HydrophobicContact CG2-CE2 3.99Å; V694-F748 HydrophobicContact CG2-CZ 3.59Å; V694-V767 HydrophobicContact CB-CG1 4.45Å; V694-V767 HydrophobicContact CG1-CG1 3.86Å; V694-T769 HydrophobicContact CG1-CG2 4.19Å
695Q93.8Very high90.6Very high82 Ų8267.6 Ų67.638%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-99.1124174-74.4179.3-11.700109.1V686 C735 S736V686-Q695 HydrophobicContact CB-CB 3.99Å; V686-Q695 PolarHBondContact N-O 3.49Å; Q695-C735 WeakPolarHBondContact CA-O 3.34Å; Q695-S736 WeakPolarHBondContact CG-OG 3.36Å
696L95.3Very high90.2Very high0 Ų065.8 Ų65.80%035%0.35CS..EExtended strand (participates in β ladder)trans-115.1141.2-177.6-62.4177.4000109.3P683 R684 V694 W698 V714 D734 C735 V737 F748 V767P683-L696 HydrophobicContact CB-CB 4.21Å; P683-L696 HydrophobicContact CB-CD1 4.46Å; P683-L696 HydrophobicContact CB-CD2 4.44Å; R684-L696 WeakPolarHBondContact O-CA 3.38Å; V694-L696 HydrophobicContact CG2-CD2 4.42Å; V694-L696 HydrophobicContact CG2-CG 4.3Å; L696-W698 HydrophobicContact CB-CZ3 4.23Å; L696-V714 HydrophobicContact CD1-CG1 4.49Å; L696-D734 CarbonylContact O-C 3.54Å; L696-D734 WeakPolarHBondContact O-CA 3.35Å; L696-D734 WeakPolarHBondContact O-CB 3.27Å; L696-C735 PolarHBondContact N-O 2.81Å; L696-C735 PolarHBondContact O-N 2.81Å; L696-V737 HydrophobicContact CD1-CG2 4.3Å; L696-F748 HydrophobicContact CD1-CB 4.07Å; L696-F748 HydrophobicContact CD1-CD1 3.4Å; L696-F748 VanDerWaalsContact CD1-CD1 3.4Å; L696-F748 HydrophobicContact CD1-CD2 4.13Å; L696-F748 HydrophobicContact CD1-CE1 3.76Å; L696-F748 HydrophobicContact CD1-CE2 4.45Å; L696-F748 HydrophobicContact CD1-CG 3.59Å; L696-F748 HydrophobicContact CD1-CZ 4.28Å; L696-V767 HydrophobicContact CD2-CG2 4.38Å
697R95Very high90.1Very high106 Ų10664 Ų6440%0.434%0.34SS..EExtended strand (participates in β ladder)trans-135.2142.5173.3-173.4173.6-77.8-175.9-4.8109.8R684 V686 L733 D734R684-R697 HydrophobicContact CG-CB 4.48Å; R684-R697 WeakPolarHBondContact CG-O 3.43Å; R684-R697 PolarHBondContact N-O 2.85Å; R684-R697 PolarHBondContact O-N 3.34Å; V686-R697 HydrophobicContact CG2-CB 3.52Å; R697-L733 CarbonylContact C-O 3.5Å; R697-L733 VanDerWaalsContact CA-O 3.28Å; R697-L733 WeakPolarHBondContact CA-O 3.43Å; R697-L733 WeakPolarHBondContact CG-O 3.44Å; R697-D734 HydrophobicContact CB-CB 3.83Å; R697-D734 HydrophobicContact CG-CB 3.93Å; R697-D734 IonicContact CZ-OD2 2.77Å; R697-D734 IonicContact NE-OD2 3.33Å; R697-D734 PolarHBondContact NE-OD2 2.99Å; R697-D734 IonicContact NH2-OD2 2.61Å; R697-D734 PolarHBondContact NH2-OD2 3.23Å
698W95.3Very high90.1Very high4 Ų465.5 Ų65.52%0.01534%0.338CS..  trans-124.7-154.6178.248.497.2000110.4P683 R684 L696 Y712 V714 Y728 E732 L733 C735 L750P683-W698 HydrophobicContact CB-CE3 4.36Å; R684-W698 PolarHBondContact NH1-O 3.3Å; L696-W698 HydrophobicContact CB-CZ3 4.23Å; W698-Y712 AromaticContact CD1-CD1 3.8Å; W698-Y712 AromaticContact CD1-CE1 3.95Å; W698-Y712 HydrophobicContact CZ2-CG 4.47Å; W698-Y712 AromaticContact NE1-CD1 3.44Å; W698-Y712 AromaticContact NE1-CD2 3.49Å; W698-Y712 AromaticContact NE1-CE1 3.89Å; W698-Y712 AromaticContact NE1-CE2 3.97Å; W698-Y712 AromaticContact NE1-CG 3.24Å; W698-V714 HydrophobicContact CE3-CG2 4.44Å; W698-V714 HydrophobicContact CH2-CG2 3.62Å; W698-V714 HydrophobicContact CZ2-CG2 4.08Å; W698-V714 HydrophobicContact CZ3-CG2 3.81Å; W698-Y728 AromaticContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CE1 4.1Å; W698-Y728 HydrophobicContact CZ2-CD1 4.1Å; W698-Y728 AromaticContact CZ2-CE1 3.91Å; W698-Y728 HydrophobicContact CZ2-CE1 3.91Å; W698-E732 WeakPolarHBondContact CZ2-O 3.34Å; W698-L733 PolarHBondContact N-O 2.87Å; W698-C735 HydrophobicContact CH2-CB 3.95Å; W698-C735 HydrophobicContact CZ3-CB 4.34Å; W698-L750 HydrophobicContact CB-CD1 4.36Å; W698-L750 HydrophobicContact CB-CD2 3.57Å; W698-L750 HydrophobicContact CD2-CD1 4.36Å; W698-L750 HydrophobicContact CD2-CD2 3.85Å; W698-L750 HydrophobicContact CE3-CD2 4.06Å; W698-L750 HydrophobicContact CG-CD1 3.93Å; W698-L750 HydrophobicContact CG-CD2 3.66Å; W698-L750 HydrophobicContact CG-CG 4.48Å
699G92.6Very high90.5Very high24 Ų2458 Ų5825%0.24731%0.308CS..  trans-147.4168.1168.600000108.1
700P92.2Very high90.7Very high84 Ų8459.1 Ų59.155%0.54532%0.317SS..  trans-61.1153.9171.827.8-34.9000111.1Y712P700-Y712 WeakPolarHBondContact CA-OH 3.45Å
701P93Very high91Very high12 Ų1257.8 Ų57.88%0.07831%0.309CS..  trans-63.6150.7171.529.3-34.4000110.5P677 G678 V703 V709 A752P677-P701 HydrophobicContact CB-CG 3.78Å; G678-P701 VanDerWaalsContact O-CB 3.31Å; G678-P701 WeakPolarHBondContact O-CB 3.31Å; P701-V703 PolarHBondContact O-N 3.48Å; P701-V709 HydrophobicContact CG-CG2 3.89Å; P701-A752 HydrophobicContact CG-CB 3.99Å
702Q90.1Very high91.5Very high182 Ų18257 Ų5785%0.8530%0.3SS*.SBendtrans-65.1-23.1179.9-68.6-175.1-7.600113.5
703V89Confident91.9Very high92 Ų9249.2 Ų49.256%0.55827%0.271SS*.  trans-125.2116.7177.1-179.20000107.6G678 P701 G705G678-V703 PolarHBondContact N-O 2.84Å; P701-V703 PolarHBondContact O-N 3.48Å; V703-G705 VanDerWaalsContact C-N 3.32Å
704D88Confident92.1Very high67 Ų6746.5 Ų46.536%0.35826%0.258SS..  trans-79.3-16.5-178.977.5-27.7000112.9G706 S707 N754D704-G706 PolarHBondContact OD1-N 2.93Å; D704-S707 WeakPolarHBondContact CB-O 3.11Å; D704-S707 VanDerWaalsContact O-O 3.09Å; D704-S707 PolarHBondContact OD2-N 2.66Å; D704-S707 VanDerWaalsContact OD2-N 3.12Å; D704-S707 VanDerWaalsContact OD2-O 3.1Å; D704-N754 PolarHBondContact O-ND2 3.47Å
705G87Confident92.1Very high3 Ų347.3 Ų47.33%0.03126%0.262CS..  trans86.914.3-177.300000114.7P645 A674 V675 V703P645-G705 WeakPolarHBondContact CB-O 3.39Å; A674-G705 CarbonylContact C-O 3.53Å; A674-G705 VanDerWaalsContact CA-O 3.26Å; A674-G705 WeakPolarHBondContact CA-O 3.19Å; A674-G705 WeakPolarHBondContact CB-O 3.33Å; V675-G705 PolarHBondContact N-O 3.47Å; V703-G705 VanDerWaalsContact C-N 3.32Å
706G84.3Confident92.1Very high21 Ų2144.4 Ų44.422%0.21625%0.248CC..SBendtrans8325.1-174.800000113.4P645 G646 D704P645-G706 VanDerWaalsContact O-CA 3.31Å; P645-G706 WeakPolarHBondContact O-CA 3.5Å; G646-G706 WeakPolarHBondContact CA-O 3.24Å; D704-G706 PolarHBondContact OD1-N 2.93Å
707S88.8Confident92Very high8 Ų844.6 Ų44.66%0.05625%0.25CC..SBendtrans-161.1134.9175-177.90000109.1D704 V709 K755D704-S707 WeakPolarHBondContact CB-O 3.11Å; D704-S707 VanDerWaalsContact O-O 3.09Å; D704-S707 PolarHBondContact OD2-N 2.66Å; D704-S707 VanDerWaalsContact OD2-N 3.12Å; D704-S707 VanDerWaalsContact OD2-O 3.1Å; S707-V709 PolarHBondContact O-N 3.38Å; S707-K755 VanDerWaalsContact OG-CD 3.32Å; S707-K755 WeakPolarHBondContact OG-CD 3.45Å; S707-K755 WeakPolarHBondContact OG-CG 3.46Å
708P89.3Confident91.6Very high99 Ų9941 Ų4164%0.64325%0.246SC*.  trans-54.4141.917424.4-34.7000110.7S710 N754P708-S710 PolarHBondContact O-N 3.08Å; P708-N754 WeakPolarHBondContact O-CB 3.42Å
709V92.9Very high90.9Very high35 Ų3543.8 Ų43.821%0.21226%0.264CS..  trans-67.4126.8175.11760000108.8P677 P701 S707 Y712 A752 A753P677-V709 HydrophobicContact CB-CG2 4.21Å; P677-V709 HydrophobicContact CG-CG2 3.93Å; P701-V709 HydrophobicContact CG-CG2 3.89Å; S707-V709 PolarHBondContact O-N 3.38Å; V709-Y712 HydrophobicContact CG1-CD1 4.49Å; V709-Y712 HydrophobicContact CG1-CE1 3.91Å; V709-Y712 HydrophobicContact CG1-CE2 4.15Å; V709-A752 HydrophobicContact CG1-CB 3.8Å; V709-A752 HydrophobicContact CG2-CB 4.2Å; V709-A753 CarbonylContact C-O 3.58Å; V709-A753 WeakPolarHBondContact CG1-O 3.31Å
710S92.2Very high90Very high65 Ų6552.1 Ų52.146%0.45530%0.297SS..  trans-86.2-41.5-177.8-52.10000111.9P708 A753P708-S710 PolarHBondContact O-N 3.08Å; S710-A753 PolarHBondContact N-O 2.88Å
711Y94.2Very high89.2Confident75 Ų7550.4 Ų50.429%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-161.3169-179.463.5-90.4000111.9Q729 G730 A753 F758Y711-Q729 HydrophobicContact CD2-CG 3.92Å; Y711-Q729 HydrophobicContact CE2-CG 4.1Å; Y711-Q729 VanDerWaalsContact CE2-NE2 3.33Å; Y711-G730 CarbonylContact C-O 3.55Å; Y711-G730 WeakPolarHBondContact CA-O 3.45Å; Y711-G730 WeakPolarHBondContact CB-O 3.29Å; Y711-A753 HydrophobicContact CD1-CB 4.2Å; Y711-A753 HydrophobicContact CD2-CB 4.03Å; Y711-A753 HydrophobicContact CE1-CB 3.82Å; Y711-A753 HydrophobicContact CE2-CB 3.63Å; Y711-A753 HydrophobicContact CG-CB 4.3Å; Y711-A753 PolarHBondContact N-O 2.97Å; Y711-A753 PolarHBondContact O-N 3.35Å; Y711-F758 HydrophobicContact CD2-CE1 4.48Å; Y711-F758 AromaticContact CE2-CE1 3.62Å; Y711-F758 HydrophobicContact CE2-CE1 3.62Å; Y711-F758 AromaticContact CE2-CZ 3.6Å; Y711-F758 HydrophobicContact CE2-CZ 3.6Å
712Y96.2Very high88.4Confident15 Ų1556.4 Ų56.46%0.05931%0.314CS..EExtended strand (participates in β ladder)trans-117154.8174.6-55.1-89.5000109.9W698 P700 V709 Q729 G730 E732 L733 L750 K751 A752W698-Y712 AromaticContact CD1-CD1 3.8Å; W698-Y712 AromaticContact CD1-CE1 3.95Å; W698-Y712 HydrophobicContact CZ2-CG 4.47Å; W698-Y712 AromaticContact NE1-CD1 3.44Å; W698-Y712 AromaticContact NE1-CD2 3.49Å; W698-Y712 AromaticContact NE1-CE1 3.89Å; W698-Y712 AromaticContact NE1-CE2 3.97Å; W698-Y712 AromaticContact NE1-CG 3.24Å; P700-Y712 WeakPolarHBondContact CA-OH 3.45Å; V709-Y712 HydrophobicContact CG1-CD1 4.49Å; V709-Y712 HydrophobicContact CG1-CE1 3.91Å; V709-Y712 HydrophobicContact CG1-CE2 4.15Å; Y712-Q729 WeakPolarHBondContact O-CA 3.36Å; Y712-G730 PolarHBondContact N-O 2.64Å; Y712-G730 PolarHBondContact O-N 3.02Å; Y712-E732 WeakPolarHBondContact CD2-O 3.48Å; Y712-L733 HydrophobicContact CD2-CD2 4.39Å; Y712-L733 HydrophobicContact CE1-CD2 4.36Å; Y712-L733 HydrophobicContact CE2-CD2 3.58Å; Y712-L750 HydrophobicContact CD1-CD1 3.97Å; Y712-K751 CarbonylContact C-O 3.56Å; Y712-K751 WeakPolarHBondContact CA-O 3.29Å; Y712-A752 HydrophobicContact CD1-CB 3.92Å; Y712-A752 HydrophobicContact CE1-CB 3.87Å
713S95.6Very high88.1Confident0 Ų055.5 Ų55.50%031%0.309CS..EExtended strand (participates in β ladder)trans-125.1132.5167.5157.70000108.6E726 Y728 L750 K751S713-E726 VanDerWaalsContact CB-OE2 3.24Å; S713-E726 WeakPolarHBondContact CB-OE2 3.47Å; S713-E726 PolarHBondContact OG-OE2 2.95Å; S713-Y728 CarbonylContact C-O 3.47Å; S713-Y728 WeakPolarHBondContact CA-O 3.33Å; S713-L750 CarbonylContact O-C 3.49Å; S713-L750 WeakPolarHBondContact O-CA 3.34Å; S713-L750 WeakPolarHBondContact O-CB 3.27Å; S713-K751 PolarHBondContact N-O 3.19Å; S713-K751 PolarHBondContact O-N 3.12Å; S713-K751 WeakPolarHBondContact OG-CE 3.34Å
714V95.5Very high88.1Confident0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-114.2128.5177.1-1730000109.3L696 W698 E726 V727 Y728 F748 R749 L750L696-V714 HydrophobicContact CD1-CG1 4.49Å; W698-V714 HydrophobicContact CE3-CG2 4.44Å; W698-V714 HydrophobicContact CH2-CG2 3.62Å; W698-V714 HydrophobicContact CZ2-CG2 4.08Å; W698-V714 HydrophobicContact CZ3-CG2 3.81Å; V714-E726 WeakPolarHBondContact O-CA 3.25Å; V714-V727 HydrophobicContact CB-CG2 4.31Å; V714-V727 HydrophobicContact CG1-CG2 4.16Å; V714-V727 WeakPolarHBondContact O-CG2 3.43Å; V714-V727 PolarHBondContact O-N 2.63Å; V714-Y728 HydrophobicContact CG2-CD1 4.14Å; V714-Y728 PolarHBondContact N-O 2.9Å; V714-Y728 PolarHBondContact O-N 2.98Å; V714-F748 HydrophobicContact CG1-CD1 4.43Å; V714-R749 WeakPolarHBondContact CA-O 3.18Å; V714-L750 HydrophobicContact CB-CB 4.43Å; V714-L750 HydrophobicContact CG2-CB 3.93Å
715E94.5Very high88.2Confident20 Ų2059.4 Ų59.49%0.09332%0.317CS..EExtended strand (participates in β ladder)trans-109.3139.8176.5-68.5177.6-152.300111.1S724 R725 F748 R749 K751E715-S724 VanDerWaalsContact OE2-CB 3.25Å; E715-S724 WeakPolarHBondContact OE2-CB 3.38Å; E715-S724 PolarHBondContact OE2-OG 2.96Å; E715-R725 CarbonylContact C-O 3.52Å; E715-R725 VanDerWaalsContact CA-O 3.31Å; E715-R725 WeakPolarHBondContact CA-O 3.32Å; E715-F748 WeakPolarHBondContact O-CA 3.47Å; E715-R749 PolarHBondContact N-O 2.83Å; E715-R749 PolarHBondContact O-N 2.85Å; E715-R749 IonicContact OE2-NH2 3.39Å; E715-K751 IonicContact OE1-NZ 2.69Å; E715-K751 PolarHBondContact OE1-NZ 3.16Å
716I94.1Very high88.5Confident20 Ų2063.2 Ų63.210%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-110.3139.8170.2-161.3176.3000110.5S724 R725 V727 V737 L740 Y746 S747 F748I716-S724 CarbonylContact O-C 3.48Å; I716-S724 VanDerWaalsContact O-CA 3.28Å; I716-S724 WeakPolarHBondContact O-CA 3.37Å; I716-R725 PolarHBondContact N-O 2.81Å; I716-R725 PolarHBondContact O-N 2.91Å; I716-V727 HydrophobicContact CB-CG1 4.07Å; I716-V727 HydrophobicContact CB-CG2 4.25Å; I716-V727 HydrophobicContact CG2-CG1 3.46Å; I716-V727 VanDerWaalsContact CG2-CG1 3.46Å; I716-V737 HydrophobicContact CD1-CG1 4.3Å; I716-L740 HydrophobicContact CD1-CD2 3.49Å; I716-L740 VanDerWaalsContact CD1-CD2 3.49Å; I716-Y746 HydrophobicContact CD1-CD1 3.41Å; I716-Y746 VanDerWaalsContact CD1-CD1 3.41Å; I716-Y746 HydrophobicContact CD1-CE1 4.1Å; I716-Y746 HydrophobicContact CD1-CG 3.86Å; I716-Y746 HydrophobicContact CG1-CD1 3.89Å; I716-Y746 HydrophobicContact CG1-CG 4.37Å; I716-S747 CarbonylContact C-O 3.57Å; I716-S747 WeakPolarHBondContact CA-O 3.41Å; I716-F748 HydrophobicContact CB-CD1 4.11Å; I716-F748 HydrophobicContact CB-CE1 3.92Å; I716-F748 HydrophobicContact CD1-CD1 4.35Å; I716-F748 HydrophobicContact CD1-CE1 3.42Å; I716-F748 VanDerWaalsContact CD1-CE1 3.42Å; I716-F748 HydrophobicContact CD1-CE2 4.46Å; I716-F748 HydrophobicContact CD1-CZ 3.48Å; I716-F748 VanDerWaalsContact CD1-CZ 3.48Å; I716-F748 HydrophobicContact CG1-CD1 3.9Å; I716-F748 HydrophobicContact CG1-CE1 3.46Å; I716-F748 VanDerWaalsContact CG1-CE1 3.46Å; I716-F748 HydrophobicContact CG1-CE2 4.5Å; I716-F748 HydrophobicContact CG1-CZ 3.8Å
717S92.9Very high88.9Confident5 Ų564.9 Ų64.94%0.03534%0.34CS..EExtended strand (participates in β ladder)trans-112.6143.2162.6-65.50000109.7E722 S724 S747S717-E722 PolarHBondContact OG-O 3.16Å; S717-S724 WeakPolarHBondContact OG-CB 3.31Å; S717-S747 PolarHBondContact N-O 3.1Å; S717-S747 PolarHBondContact O-N 2.99Å; S717-S747 VanDerWaalsContact O-N 3.17Å
718G86.9Confident89.2Confident30 Ų3066.1 Ų66.131%0.30934%0.344SS..EExtended strand (participates in β ladder)trans-81.2166-173.500000114.3Q720 S721G718-Q720 PolarHBondContact O-N 2.78Å; G718-S721 PolarHBondContact N-O 2.84Å; G718-S721 VanDerWaalsContact N-O 3.16Å; G718-S721 PolarHBondContact O-N 3.34Å; G718-S721 VanDerWaalsContact O-O 3.14Å
719P79.1Confident89.4Confident63 Ų6366.8 Ų66.841%0.40934%0.338SS..THydrogen-bonded Turntrans-63-12.6-178.325.2-36.5000115.3K744 T745P719-K744 HydrophobicContact CB-CB 4.16Å; P719-K744 HydrophobicContact CG-CB 4.09Å; P719-K744 HydrophobicContact CG-CG 4.41Å; P719-T745 WeakPolarHBondContact CA-O 3.36Å; P719-T745 WeakPolarHBondContact CB-O 3.47Å
720Q74.9Confident89.4Confident199 Ų19966 Ų6693%0.9334%0.336SS*.THydrogen-bonded Turntrans-141.113.3179.8-66.9-173.6-28.900112.9G718G718-Q720 PolarHBondContact O-N 2.78Å
721S75.8Confident89.4Confident47 Ų4767.1 Ų67.133%0.32934%0.344SS..EExtended strand (participates in β ladder)trans-139.7128175.2-177.20000110.2G718 E723G718-S721 PolarHBondContact N-O 2.84Å; G718-S721 VanDerWaalsContact N-O 3.16Å; G718-S721 PolarHBondContact O-N 3.34Å; G718-S721 VanDerWaalsContact O-O 3.14Å; S721-E723 PolarHBondContact O-N 2.67Å; S721-E723 WeakPolarHBondContact OG-CB 3.38Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 3.06Å
722E75.9Confident89.4Confident139 Ų13969.2 Ų69.265%0.6536%0.357SS*.EExtended strand (participates in β ladder)trans-75.1-12.6172.7-71.4-142.9108.800112.9S717 S724 R764S717-E722 PolarHBondContact OG-O 3.16Å; E722-S724 PolarHBondContact O-N 3.16Å; E722-R764 IonicContact OE1-CZ 3.57Å; E722-R764 VanDerWaalsContact OE1-CZ 3.27Å; E722-R764 IonicContact OE1-NH1 2.77Å; E722-R764 PolarHBondContact OE1-NH1 3.01Å; E722-R764 IonicContact OE1-NH2 3.48Å; E722-R764 PolarHBondContact OE1-NH2 2.82Å
723E84.1Confident89.2Confident162 Ų16271.6 Ų71.676%0.75737%0.37SS*.EExtended strand (participates in β ladder)trans-54.4124.5173.6-64.1178.2138.700109.8S721S721-E723 PolarHBondContact O-N 2.67Å; S721-E723 WeakPolarHBondContact OG-CB 3.38Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 3.06Å
724S88Confident89.2Confident51 Ų5174.4 Ų74.436%0.35739%0.385SS..EExtended strand (participates in β ladder)trans-100.3136.4177.762.80000111.5E715 I716 S717 E722 R749E715-S724 VanDerWaalsContact OE2-CB 3.25Å; E715-S724 WeakPolarHBondContact OE2-CB 3.38Å; E715-S724 PolarHBondContact OE2-OG 2.96Å; I716-S724 CarbonylContact O-C 3.48Å; I716-S724 VanDerWaalsContact O-CA 3.28Å; I716-S724 WeakPolarHBondContact O-CA 3.37Å; S717-S724 WeakPolarHBondContact OG-CB 3.31Å; E722-S724 PolarHBondContact O-N 3.16Å; S724-R749 PolarHBondContact OG-NH2 3.17Å; S724-R749 VanDerWaalsContact OG-NH2 3.12Å
725R90.6Very high89.1Confident190 Ų19075.1 Ų75.172%0.71739%0.39SS*.EExtended strand (participates in β ladder)trans-122.7137.1177.6170.4174.9171.31750.2109.9E715 I716E715-R725 CarbonylContact C-O 3.52Å; E715-R725 VanDerWaalsContact CA-O 3.31Å; E715-R725 WeakPolarHBondContact CA-O 3.32Å; I716-R725 PolarHBondContact N-O 2.81Å; I716-R725 PolarHBondContact O-N 2.91Å
726E93.7Very high89Confident83 Ų8376.9 Ų76.939%0.38841%0.405SS..EExtended strand (participates in β ladder)trans-66.5131.7171.8-168.2170.176.800111.3S713 V714S713-E726 VanDerWaalsContact CB-OE2 3.24Å; S713-E726 WeakPolarHBondContact CB-OE2 3.47Å; S713-E726 PolarHBondContact OG-OE2 2.95Å; V714-E726 WeakPolarHBondContact O-CA 3.25Å
727V92.7Very high89Confident56 Ų5676.4 Ų76.434%0.33940%0.403SS..EExtended strand (participates in β ladder)trans-123.1-13.5-179.6-72.20000113.6V714 I716 V737V714-V727 HydrophobicContact CB-CG2 4.31Å; V714-V727 HydrophobicContact CG1-CG2 4.16Å; V714-V727 WeakPolarHBondContact O-CG2 3.43Å; V714-V727 PolarHBondContact O-N 2.63Å; I716-V727 HydrophobicContact CB-CG1 4.07Å; I716-V727 HydrophobicContact CB-CG2 4.25Å; I716-V727 HydrophobicContact CG2-CG1 3.46Å; I716-V727 VanDerWaalsContact CG2-CG1 3.46Å; V727-V737 HydrophobicContact CB-CG1 4.07Å; V727-V737 HydrophobicContact CB-CG2 4.35Å; V727-V737 HydrophobicContact CG1-CG1 4.11Å; V727-V737 HydrophobicContact CG2-CG1 4.17Å; V727-V737 HydrophobicContact CG2-CG2 3.88Å
728Y94.3Very high88.8Confident35 Ų3578.4 Ų78.414%0.13742%0.424CS..EExtended strand (participates in β ladder)trans-149.5138.5173.2177.8-92.4000109.9W698 S713 V714 G730 E732 C735W698-Y728 AromaticContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CE1 4.1Å; W698-Y728 HydrophobicContact CZ2-CD1 4.1Å; W698-Y728 AromaticContact CZ2-CE1 3.91Å; W698-Y728 HydrophobicContact CZ2-CE1 3.91Å; S713-Y728 CarbonylContact C-O 3.47Å; S713-Y728 WeakPolarHBondContact CA-O 3.33Å; V714-Y728 HydrophobicContact CG2-CD1 4.14Å; V714-Y728 PolarHBondContact N-O 2.9Å; V714-Y728 PolarHBondContact O-N 2.98Å; Y728-G730 WeakPolarHBondContact OH-CA 3.12Å; Y728-E732 VanDerWaalsContact OH-CB 3.23Å; Y728-E732 WeakPolarHBondContact OH-CB 3.48Å; Y728-E732 PolarHBondContact OH-N 2.88Å; Y728-E732 PolarHBondContact OH-OE2 2.57Å; Y728-C735 HydrophobicContact CD1-CB 4.37Å; Y728-C735 HydrophobicContact CD2-CB 3.33Å; Y728-C735 HydrophobicContact CE2-CB 3.83Å; Y728-C735 HydrophobicContact CG-CB 3.64Å
729Q94.1Very high88.9Confident113 Ų11380.7 Ų80.753%0.52845%0.448SS..EExtended strand (participates in β ladder)trans-138.9120.2165.7-169.3-173.520.100108.2Y711 Y712Y711-Q729 HydrophobicContact CD2-CG 3.92Å; Y711-Q729 HydrophobicContact CE2-CG 4.1Å; Y711-Q729 VanDerWaalsContact CE2-NE2 3.33Å; Y712-Q729 WeakPolarHBondContact O-CA 3.36Å
730G92.6Very high89.4Confident17 Ų1778.2 Ų78.218%0.17543%0.431CS..EExtended strand (participates in β ladder)trans174.1171.4-173.900000113.9Y711 Y712 Y728Y711-G730 CarbonylContact C-O 3.55Å; Y711-G730 WeakPolarHBondContact CA-O 3.45Å; Y711-G730 WeakPolarHBondContact CB-O 3.29Å; Y712-G730 PolarHBondContact N-O 2.64Å; Y712-G730 PolarHBondContact O-N 3.02Å; Y728-G730 WeakPolarHBondContact OH-CA 3.12Å
731S92.7Very high90Very high89 Ų8973.1 Ų73.162%0.62241%0.41SS*.SBendtrans-88.9-6.1-175.151.80000114.8
732E92.8Very high90.6Very high119 Ų11971.1 Ų71.156%0.55640%0.395SS*.SBendtrans-76.9164.6-178.9-50.2160.7129.300110.7W698 Y712 Y728W698-E732 WeakPolarHBondContact CZ2-O 3.34Å; Y712-E732 WeakPolarHBondContact CD2-O 3.48Å; Y728-E732 VanDerWaalsContact OH-CB 3.23Å; Y728-E732 WeakPolarHBondContact OH-CB 3.48Å; Y728-E732 PolarHBondContact OH-N 2.88Å; Y728-E732 PolarHBondContact OH-OE2 2.57Å
733L93.5Very high91Very high65 Ų6565.6 Ų65.634%0.3438%0.376SS..SBendtrans-100.27.3-179-70.5175.6000113R697 W698 Y712R697-L733 CarbonylContact C-O 3.5Å; R697-L733 VanDerWaalsContact CA-O 3.28Å; R697-L733 WeakPolarHBondContact CA-O 3.43Å; R697-L733 WeakPolarHBondContact CG-O 3.44Å; W698-L733 PolarHBondContact N-O 2.87Å; Y712-L733 HydrophobicContact CD2-CD2 4.39Å; Y712-L733 HydrophobicContact CE1-CD2 4.36Å; Y712-L733 HydrophobicContact CE2-CD2 3.58Å
734D94.2Very high91.3Very high59 Ų5961.9 Ų61.932%0.31636%0.357SS..EExtended strand (participates in β ladder)trans-149.2156.9176.440.6-14.4000113L696 R697L696-D734 CarbonylContact O-C 3.54Å; L696-D734 WeakPolarHBondContact O-CA 3.35Å; L696-D734 WeakPolarHBondContact O-CB 3.27Å; R697-D734 HydrophobicContact CB-CB 3.83Å; R697-D734 HydrophobicContact CG-CB 3.93Å; R697-D734 IonicContact CZ-OD2 2.77Å; R697-D734 IonicContact NE-OD2 3.33Å; R697-D734 PolarHBondContact NE-OD2 2.99Å; R697-D734 IonicContact NH2-OD2 2.61Å; R697-D734 PolarHBondContact NH2-OD2 3.23Å
735C93.1Very high91.4Very high16 Ų1661.9 Ų61.911%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-148.5162.7173.670.10000111.2Q695 L696 W698 Y728Q695-C735 WeakPolarHBondContact CA-O 3.34Å; L696-C735 PolarHBondContact N-O 2.81Å; L696-C735 PolarHBondContact O-N 2.81Å; W698-C735 HydrophobicContact CH2-CB 3.95Å; W698-C735 HydrophobicContact CZ3-CB 4.34Å; Y728-C735 HydrophobicContact CD1-CB 4.37Å; Y728-C735 HydrophobicContact CD2-CB 3.33Å; Y728-C735 HydrophobicContact CE2-CB 3.83Å; Y728-C735 HydrophobicContact CG-CB 3.64Å
736S93.3Very high91.5Very high57 Ų5753.8 Ų53.840%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-112.8119.8169.4-150.40000110E693 Q695E693-S736 VanDerWaalsContact CD-OG 3.28Å; E693-S736 VanDerWaalsContact CG-OG 3.26Å; E693-S736 WeakPolarHBondContact CG-OG 3.45Å; E693-S736 PolarHBondContact OE1-OG 2.82Å; Q695-S736 WeakPolarHBondContact CG-OG 3.36Å
737V92.8Very high91.4Very high9 Ų950.5 Ų50.56%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-100.2100.1179.6-172.60000108.6E693 V694 L696 I716 V727 L740 F748E693-V737 WeakPolarHBondContact CA-O 3.23Å; V694-V737 HydrophobicContact CG2-CB 4.24Å; V694-V737 PolarHBondContact N-O 2.85Å; V694-V737 PolarHBondContact O-N 2.9Å; L696-V737 HydrophobicContact CD1-CG2 4.3Å; I716-V737 HydrophobicContact CD1-CG1 4.3Å; V727-V737 HydrophobicContact CB-CG1 4.07Å; V727-V737 HydrophobicContact CB-CG2 4.35Å; V727-V737 HydrophobicContact CG1-CG1 4.11Å; V727-V737 HydrophobicContact CG2-CG1 4.17Å; V727-V737 HydrophobicContact CG2-CG2 3.88Å; V737-L740 HydrophobicContact CG1-CD2 4.2Å; V737-F748 HydrophobicContact CB-CE1 4.21Å; V737-F748 HydrophobicContact CG1-CE1 4.16Å; V737-F748 HydrophobicContact CG2-CE1 4.05Å
738G90.3Very high91.5Very high47 Ų4747.9 Ų47.949%0.48530%0.295SS..EExtended strand (participates in β ladder)trans-88.8178.417600000113.7R692 L740R692-G738 CarbonylContact O-C 3.57Å; R692-G738 WeakPolarHBondContact O-CA 3.47Å; G738-L740 VanDerWaalsContact C-N 3.33Å
739G87.8Confident91.5Very high78 Ų7848.5 Ų48.580%0.80430%0.297SS*.SBendtrans78.414.117700000114.7R692R692-G739 PolarHBondContact O-N 2.94Å
740L90.7Very high91.5Very high12 Ų1243.1 Ų43.16%0.06327%0.272CS..PPolyproline II helixtrans-82.5156.2-177.6-54.7-178.1000112.1R692 V694 I716 V737 G738 Y746 F748 T769R692-L740 WeakPolarHBondContact CA-O 3.28Å; R692-L740 WeakPolarHBondContact CB-O 3.25Å; R692-L740 WeakPolarHBondContact CG-O 3.32Å; R692-L740 PolarHBondContact O-N 3.46Å; R692-L740 VanDerWaalsContact O-N 3.1Å; V694-L740 HydrophobicContact CB-CD1 4.44Å; V694-L740 HydrophobicContact CG1-CD1 4.07Å; V694-L740 HydrophobicContact CG2-CD1 3.76Å; I716-L740 HydrophobicContact CD1-CD2 3.49Å; I716-L740 VanDerWaalsContact CD1-CD2 3.49Å; V737-L740 HydrophobicContact CG1-CD2 4.2Å; G738-L740 VanDerWaalsContact C-N 3.33Å; L740-Y746 HydrophobicContact CB-CD2 4.47Å; L740-Y746 HydrophobicContact CB-CE2 3.84Å; L740-Y746 HydrophobicContact CD1-CD2 4.32Å; L740-Y746 HydrophobicContact CD1-CE2 4.49Å; L740-Y746 HydrophobicContact CD2-CD1 4.2Å; L740-Y746 HydrophobicContact CD2-CD2 4.38Å; L740-Y746 HydrophobicContact CD2-CE1 3.94Å; L740-Y746 HydrophobicContact CD2-CE2 4.14Å; L740-Y746 HydrophobicContact CD2-CG 4.4Å; L740-Y746 HydrophobicContact CG-CE2 4.37Å; L740-F748 HydrophobicContact CD1-CZ 4.26Å; L740-T769 HydrophobicContact CB-CG2 3.72Å; L740-T769 HydrophobicContact CD1-CG2 3.85Å; L740-T769 HydrophobicContact CG-CG2 4.45Å
741L87.9Confident91.6Very high92 Ų9244.1 Ų44.148%0.48227%0.271SS..PPolyproline II helixtrans-82.4137.9174.4-63176.3000110.4K744 Y746 T769L741-K744 HydrophobicContact CB-CB 4.34Å; L741-K744 HydrophobicContact CB-CG 3.63Å; L741-K744 HydrophobicContact CD1-CG 4.48Å; L741-Y746 WeakPolarHBondContact CB-OH 3.45Å; L741-Y746 PolarHBondContact N-OH 2.9Å; L741-T769 WeakPolarHBondContact O-CB 3.24Å; L741-T769 PolarHBondContact O-OG1 3.3Å
742P87.5Confident91.8Very high4 Ų439.9 Ų39.93%0.02624%0.242CC..THydrogen-bonded Turntrans-69.5145.1179.8-15.428.3000113.9A691 R692 K744 T769 N800A691-P742 HydrophobicContact CB-CB 4.14Å; A691-P742 HydrophobicContact CB-CG 4.22Å; A691-P742 WeakPolarHBondContact O-CA 3.3Å; A691-P742 WeakPolarHBondContact O-CB 3.34Å; A691-P742 WeakPolarHBondContact O-CG 3.24Å; R692-P742 HydrophobicContact CG-CG 4.2Å; P742-K744 VanDerWaalsContact C-N 3.26Å; P742-K744 PolarHBondContact O-N 2.86Å; P742-T769 WeakPolarHBondContact CA-OG1 3.4Å; P742-N800 HydrophobicContact CB-CB 3.98Å; P742-N800 HydrophobicContact CG-CB 4.35Å
743G85.4Confident91.8Very high23 Ų2334.2 Ų34.224%0.23722%0.215CC..THydrogen-bonded Turntrans62.226.3-179.400000115.4T769 G770 G801G743-T769 PolarHBondContact N-OG1 2.95Å; G743-G770 PolarHBondContact N-O 2.81Å; G743-G770 VanDerWaalsContact N-O 3.12Å; G743-G801 VanDerWaalsContact CA-CA 3.48Å
744K89Confident91.8Very high84 Ų8431.5 Ų31.537%0.36520%0.201SC..  trans-116.6140.5178.7-56.3-54.7178.3-172.80110.3P719 L741 P742 Y746 T768 T769P719-K744 HydrophobicContact CB-CB 4.16Å; P719-K744 HydrophobicContact CG-CB 4.09Å; P719-K744 HydrophobicContact CG-CG 4.41Å; L741-K744 HydrophobicContact CB-CB 4.34Å; L741-K744 HydrophobicContact CB-CG 3.63Å; L741-K744 HydrophobicContact CD1-CG 4.48Å; P742-K744 VanDerWaalsContact C-N 3.26Å; P742-K744 PolarHBondContact O-N 2.86Å; K744-Y746 HydrophobicContact CB-CD2 4.42Å; K744-Y746 HydrophobicContact CB-CE2 3.85Å; K744-Y746 WeakPolarHBondContact O-CD2 3.4Å; K744-T768 WeakPolarHBondContact O-CA 3.37Å; K744-T769 PolarHBondContact N-OG1 3.27Å; K744-T769 PolarHBondContact O-N 2.98Å; K744-T769 PolarHBondContact O-OG1 3.22Å
745T90.5Very high91.6Very high52 Ų5235 Ų3532%0.31921%0.214SC..EExtended strand (participates in β ladder)trans-84129.8173.7-55.30000110.3P719 E766 V767 T768P719-T745 WeakPolarHBondContact CA-O 3.36Å; P719-T745 WeakPolarHBondContact CB-O 3.47Å; T745-E766 HydrophobicContact CG2-CB 3.85Å; T745-E766 HydrophobicContact CG2-CG 4.3Å; T745-V767 WeakPolarHBondContact CA-O 3.46Å; T745-T768 PolarHBondContact OG1-OG1 3.2Å
746Y92.1Very high91.4Very high20 Ų2036.5 Ų36.58%0.07823%0.227CC..EExtended strand (participates in β ladder)trans-118.3141.9173.7-70.8-91.9000109.4I716 L740 L741 K744 E766 V767 T769I716-Y746 HydrophobicContact CD1-CD1 3.41Å; I716-Y746 VanDerWaalsContact CD1-CD1 3.41Å; I716-Y746 HydrophobicContact CD1-CE1 4.1Å; I716-Y746 HydrophobicContact CD1-CG 3.86Å; I716-Y746 HydrophobicContact CG1-CD1 3.89Å; I716-Y746 HydrophobicContact CG1-CG 4.37Å; L740-Y746 HydrophobicContact CB-CD2 4.47Å; L740-Y746 HydrophobicContact CB-CE2 3.84Å; L740-Y746 HydrophobicContact CD1-CD2 4.32Å; L740-Y746 HydrophobicContact CD1-CE2 4.49Å; L740-Y746 HydrophobicContact CD2-CD1 4.2Å; L740-Y746 HydrophobicContact CD2-CD2 4.38Å; L740-Y746 HydrophobicContact CD2-CE1 3.94Å; L740-Y746 HydrophobicContact CD2-CE2 4.14Å; L740-Y746 HydrophobicContact CD2-CG 4.4Å; L740-Y746 HydrophobicContact CG-CE2 4.37Å; L741-Y746 WeakPolarHBondContact CB-OH 3.45Å; L741-Y746 PolarHBondContact N-OH 2.9Å; K744-Y746 HydrophobicContact CB-CD2 4.42Å; K744-Y746 HydrophobicContact CB-CE2 3.85Å; K744-Y746 WeakPolarHBondContact O-CD2 3.4Å; Y746-E766 WeakPolarHBondContact O-CA 3.47Å; Y746-V767 PolarHBondContact N-O 2.62Å; Y746-V767 PolarHBondContact O-N 3.12Å; Y746-T769 HydrophobicContact CD2-CG2 4.11Å; Y746-T769 HydrophobicContact CE2-CG2 4.08Å
747S93Very high91.3Very high14 Ų1435.1 Ų35.110%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-99.5122.4176.7149.80000109.6I716 S717 R764I716-S747 CarbonylContact C-O 3.57Å; I716-S747 WeakPolarHBondContact CA-O 3.41Å; S717-S747 PolarHBondContact N-O 3.1Å; S717-S747 PolarHBondContact O-N 2.99Å; S717-S747 VanDerWaalsContact O-N 3.17Å; S747-R764 WeakPolarHBondContact OG-CD 3.34Å; S747-R764 WeakPolarHBondContact OG-CG 3.26Å
748F94.2Very high91.3Very high0 Ų038.7 Ų38.70%024%0.237CC..EExtended strand (participates in β ladder)trans-108.3138.3177.6-63.4-86.2000111.4P683 V694 L696 V714 E715 I716 V737 L740 C765 V767P683-F748 HydrophobicContact CG-CB 3.89Å; V694-F748 HydrophobicContact CG2-CE1 4.36Å; V694-F748 HydrophobicContact CG2-CE2 3.99Å; V694-F748 HydrophobicContact CG2-CZ 3.59Å; L696-F748 HydrophobicContact CD1-CB 4.07Å; L696-F748 HydrophobicContact CD1-CD1 3.4Å; L696-F748 VanDerWaalsContact CD1-CD1 3.4Å; L696-F748 HydrophobicContact CD1-CD2 4.13Å; L696-F748 HydrophobicContact CD1-CE1 3.76Å; L696-F748 HydrophobicContact CD1-CE2 4.45Å; L696-F748 HydrophobicContact CD1-CG 3.59Å; L696-F748 HydrophobicContact CD1-CZ 4.28Å; V714-F748 HydrophobicContact CG1-CD1 4.43Å; E715-F748 WeakPolarHBondContact O-CA 3.47Å; I716-F748 HydrophobicContact CB-CD1 4.11Å; I716-F748 HydrophobicContact CB-CE1 3.92Å; I716-F748 HydrophobicContact CD1-CD1 4.35Å; I716-F748 HydrophobicContact CD1-CE1 3.42Å; I716-F748 VanDerWaalsContact CD1-CE1 3.42Å; I716-F748 HydrophobicContact CD1-CE2 4.46Å; I716-F748 HydrophobicContact CD1-CZ 3.48Å; I716-F748 VanDerWaalsContact CD1-CZ 3.48Å; I716-F748 HydrophobicContact CG1-CD1 3.9Å; I716-F748 HydrophobicContact CG1-CE1 3.46Å; I716-F748 VanDerWaalsContact CG1-CE1 3.46Å; I716-F748 HydrophobicContact CG1-CE2 4.5Å; I716-F748 HydrophobicContact CG1-CZ 3.8Å; V737-F748 HydrophobicContact CB-CE1 4.21Å; V737-F748 HydrophobicContact CG1-CE1 4.16Å; V737-F748 HydrophobicContact CG2-CE1 4.05Å; L740-F748 HydrophobicContact CD1-CZ 4.26Å; F748-C765 PolarHBondContact N-O 2.86Å; F748-C765 PolarHBondContact O-N 2.98Å; F748-V767 HydrophobicContact CD2-CB 4.28Å; F748-V767 HydrophobicContact CD2-CG2 4.16Å; F748-V767 HydrophobicContact CE2-CB 4.05Å; F748-V767 HydrophobicContact CE2-CG2 4.36Å
749R94.1Very high91.4Very high48 Ų4836.9 Ų36.918%0.18122%0.218CC..EExtended strand (participates in β ladder)trans-133.5152.6169.6-65.1179.3-65.4-165.72.6109.2V714 E715 S724 L761 S762 R764V714-R749 WeakPolarHBondContact CA-O 3.18Å; E715-R749 PolarHBondContact N-O 2.83Å; E715-R749 PolarHBondContact O-N 2.85Å; E715-R749 IonicContact OE2-NH2 3.39Å; S724-R749 PolarHBondContact OG-NH2 3.17Å; S724-R749 VanDerWaalsContact OG-NH2 3.12Å; R749-L761 HydrophobicContact CB-CB 4.44Å; R749-L761 HydrophobicContact CB-CD2 3.96Å; R749-S762 WeakPolarHBondContact CA-OG 3.4Å; R749-R764 HydrophobicContact CG-CB 4.45Å; R749-R764 HydrophobicContact CG-CG 3.87Å
750L94.9Very high91.7Very high0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-137.4152.2173.476.2106.9000113.3C680 P683 W698 Y712 S713 V714 L761 S762C680-L750 HydrophobicContact CB-CD1 3.44Å; C680-L750 VanDerWaalsContact CB-CD1 3.44Å; C680-L750 HydrophobicContact CB-CG 4.03Å; P683-L750 HydrophobicContact CB-CD2 3.76Å; P683-L750 HydrophobicContact CG-CD2 4.01Å; W698-L750 HydrophobicContact CB-CD1 4.36Å; W698-L750 HydrophobicContact CB-CD2 3.57Å; W698-L750 HydrophobicContact CD2-CD1 4.36Å; W698-L750 HydrophobicContact CD2-CD2 3.85Å; W698-L750 HydrophobicContact CE3-CD2 4.06Å; W698-L750 HydrophobicContact CG-CD1 3.93Å; W698-L750 HydrophobicContact CG-CD2 3.66Å; W698-L750 HydrophobicContact CG-CG 4.48Å; Y712-L750 HydrophobicContact CD1-CD1 3.97Å; S713-L750 CarbonylContact O-C 3.49Å; S713-L750 WeakPolarHBondContact O-CA 3.34Å; S713-L750 WeakPolarHBondContact O-CB 3.27Å; V714-L750 HydrophobicContact CB-CB 4.43Å; V714-L750 HydrophobicContact CG2-CB 3.93Å; L750-L761 CarbonylContact O-C 3.57Å; L750-S762 PolarHBondContact N-OG 3.48Å; L750-S762 PolarHBondContact O-N 2.81Å
751K94.4Very high91.8Very high38 Ų3838.8 Ų38.817%0.16521%0.213CC..EExtended strand (participates in β ladder)trans-130136.6178.854.7-169.3177-153.40109.6Y712 S713 E715 F758 L761Y712-K751 CarbonylContact C-O 3.56Å; Y712-K751 WeakPolarHBondContact CA-O 3.29Å; S713-K751 PolarHBondContact N-O 3.19Å; S713-K751 PolarHBondContact O-N 3.12Å; S713-K751 WeakPolarHBondContact OG-CE 3.34Å; E715-K751 IonicContact OE1-NZ 2.69Å; E715-K751 PolarHBondContact OE1-NZ 3.16Å; K751-F758 HydrophobicContact CB-CD1 4.4Å; K751-F758 HydrophobicContact CD-CD1 3.75Å; K751-F758 HydrophobicContact CD-CE1 4.16Å; K751-F758 HydrophobicContact CD-CG 4.25Å; K751-F758 HydrophobicContact CG-CD1 3.71Å; K751-F758 HydrophobicContact CG-CE1 4.08Å; K751-L761 HydrophobicContact CB-CD2 3.96Å; K751-L761 HydrophobicContact CB-CG 4.44Å; K751-L761 HydrophobicContact CD-CD2 3.89Å; K751-L761 HydrophobicContact CD-CG 4.36Å; K751-L761 HydrophobicContact CG-CD2 4Å
752A95.4Very high92.1Very high0 Ų034.7 Ų34.70%019%0.192CC..EExtended strand (participates in β ladder)trans-88.7150.1172.800000110.6P677 P701 V709 Y712 F758 G759P677-A752 HydrophobicContact CB-CB 3.98Å; P677-A752 HydrophobicContact CG-CB 4.04Å; P701-A752 HydrophobicContact CG-CB 3.99Å; V709-A752 HydrophobicContact CG1-CB 3.8Å; V709-A752 HydrophobicContact CG2-CB 4.2Å; Y712-A752 HydrophobicContact CD1-CB 3.92Å; Y712-A752 HydrophobicContact CE1-CB 3.87Å; A752-F758 WeakPolarHBondContact O-CA 3.39Å; A752-G759 PolarHBondContact O-N 3.49Å
753A94.1Very high92.3Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-126.4137.8173.300000111.3V709 S710 Y711 G757 F758V709-A753 CarbonylContact C-O 3.58Å; V709-A753 WeakPolarHBondContact CG1-O 3.31Å; S710-A753 PolarHBondContact N-O 2.88Å; Y711-A753 HydrophobicContact CD1-CB 4.2Å; Y711-A753 HydrophobicContact CD2-CB 4.03Å; Y711-A753 HydrophobicContact CE1-CB 3.82Å; Y711-A753 HydrophobicContact CE2-CB 3.63Å; Y711-A753 HydrophobicContact CG-CB 4.3Å; Y711-A753 PolarHBondContact N-O 2.97Å; Y711-A753 PolarHBondContact O-N 3.35Å; A753-G757 VanDerWaalsContact CA-O 3.31Å; A753-G757 WeakPolarHBondContact CA-O 3.41Å; A753-F758 HydrophobicContact CB-CD1 3.75Å; A753-F758 HydrophobicContact CB-CE1 3.98Å; A753-F758 HydrophobicContact CB-CG 4.24Å
754N93.4Very high92.5Very high9 Ų946.1 Ų46.15%0.04824%0.235CC..EExtended strand (participates in β ladder)trans-122.8-167.6169.772.911.8000110V675 P677 D704 P708 A756 G757V675-N754 PolarHBondContact O-ND2 3.35Å; V675-N754 PolarHBondContact O-OD1 3.24Å; P677-N754 HydrophobicContact CG-CB 3.86Å; D704-N754 PolarHBondContact O-ND2 3.47Å; P708-N754 WeakPolarHBondContact O-CB 3.42Å; N754-A756 PolarHBondContact O-N 2.87Å; N754-A756 WeakPolarHBondContact OD1-CA 3.39Å; N754-A756 WeakPolarHBondContact OD1-CB 3.23Å; N754-A756 PolarHBondContact OD1-N 3.48Å; N754-G757 PolarHBondContact N-O 2.7Å; N754-G757 PolarHBondContact O-N 2.91Å
755K89.3Confident92.6Very high133 Ų13343.3 Ų43.358%0.57823%0.225SC*.THydrogen-bonded Turntrans-59.9-15.9179.279.1-169.6177.7-154.60115.4A674 S707A674-K755 VanDerWaalsContact CB-CE 3.45Å; A674-K755 HydrophobicContact CB-CG 4.37Å; S707-K755 VanDerWaalsContact OG-CD 3.32Å; S707-K755 WeakPolarHBondContact OG-CD 3.45Å; S707-K755 WeakPolarHBondContact OG-CG 3.46Å
756A89Confident92.7Very high46 Ų4647.6 Ų47.638%0.3824%0.242SC..THydrogen-bonded Turntrans-98.1-7.117800000113.5A674 P676 N754A674-A756 HydrophobicContact CB-CB 4.34Å; A674-A756 WeakPolarHBondContact O-CB 3.06Å; P676-A756 HydrophobicContact CG-CB 4.45Å; N754-A756 PolarHBondContact O-N 2.87Å; N754-A756 WeakPolarHBondContact OD1-CA 3.39Å; N754-A756 WeakPolarHBondContact OD1-CB 3.23Å; N754-A756 PolarHBondContact OD1-N 3.48Å
757G91.1Very high92.6Very high28 Ų2847 Ų4729%0.28924%0.24SC..EExtended strand (participates in β ladder)trans121.3-166177.100000114A753 N754A753-G757 VanDerWaalsContact CA-O 3.31Å; A753-G757 WeakPolarHBondContact CA-O 3.41Å; N754-G757 PolarHBondContact N-O 2.7Å; N754-G757 PolarHBondContact O-N 2.91Å
758F92.4Very high92.4Very high84 Ų8449.8 Ų49.837%0.36826%0.257SS..EExtended strand (participates in β ladder)trans-76.9133.2177.7-73.8-77.7000112.3P676 Y711 K751 A752 A753P676-F758 VanDerWaalsContact CB-O 3.25Å; P676-F758 WeakPolarHBondContact CB-O 3.47Å; Y711-F758 HydrophobicContact CD2-CE1 4.48Å; Y711-F758 AromaticContact CE2-CE1 3.62Å; Y711-F758 HydrophobicContact CE2-CE1 3.62Å; Y711-F758 AromaticContact CE2-CZ 3.6Å; Y711-F758 HydrophobicContact CE2-CZ 3.6Å; K751-F758 HydrophobicContact CB-CD1 4.4Å; K751-F758 HydrophobicContact CD-CD1 3.75Å; K751-F758 HydrophobicContact CD-CE1 4.16Å; K751-F758 HydrophobicContact CD-CG 4.25Å; K751-F758 HydrophobicContact CG-CD1 3.71Å; K751-F758 HydrophobicContact CG-CE1 4.08Å; A752-F758 WeakPolarHBondContact O-CA 3.39Å; A753-F758 HydrophobicContact CB-CD1 3.75Å; A753-F758 HydrophobicContact CB-CE1 3.98Å; A753-F758 HydrophobicContact CB-CG 4.24Å
759G92.8Very high92.2Very high9 Ų950 Ų509%0.09326%0.258CS..  trans-73.6177.3163.300000112.5P677 A752P677-G759 WeakPolarHBondContact O-CA 3.07Å; A752-G759 PolarHBondContact O-N 3.49Å
760P93.5Very high91.8Very high72 Ų7248 Ų4847%0.46825%0.253SS..PPolyproline II helixtrans-65.6154.8174.829.2-33.6000111.7P677 P679P677-P760 WeakPolarHBondContact O-CD 3.09Å; P679-P760 HydrophobicContact CB-CG 3.97Å; P679-P760 HydrophobicContact CG-CG 4.36Å
761L93Very high91.4Very high58 Ų5851.2 Ų51.230%0.30427%0.273SS..PPolyproline II helixtrans-63.9146.8171.2-74.5163.9000111R749 L750 K751R749-L761 HydrophobicContact CB-CB 4.44Å; R749-L761 HydrophobicContact CB-CD2 3.96Å; L750-L761 CarbonylContact O-C 3.57Å; K751-L761 HydrophobicContact CB-CD2 3.96Å; K751-L761 HydrophobicContact CB-CG 4.44Å; K751-L761 HydrophobicContact CD-CD2 3.89Å; K751-L761 HydrophobicContact CD-CG 4.36Å; K751-L761 HydrophobicContact CG-CD2 4Å
762S94.3Very high90.9Very high6 Ų649.7 Ų49.74%0.04227%0.268CS..PPolyproline II helixtrans-60.7165.2165.873.20000111.7C680 R749 L750C680-S762 WeakPolarHBondContact O-CB 3.42Å; R749-S762 WeakPolarHBondContact CA-OG 3.4Å; L750-S762 PolarHBondContact N-OG 3.48Å; L750-S762 PolarHBondContact O-N 2.81Å
763E91.5Very high90.5Very high157 Ų15751.3 Ų51.373%0.73428%0.281SS*.PPolyproline II helixtrans-58.9160161.1-51.2-178.7145.100110.6P682P682-E763 HydrophobicContact CG-CB 3.89Å
764R90.1Very high90.1Very high111 Ų11151.5 Ų51.542%0.41928%0.283SS..PPolyproline II helixtrans-71.3126.9179.8-68.6178.2169166.5-5.3110.2E722 S747 R749E722-R764 IonicContact OE1-CZ 3.57Å; E722-R764 VanDerWaalsContact OE1-CZ 3.27Å; E722-R764 IonicContact OE1-NH1 2.77Å; E722-R764 PolarHBondContact OE1-NH1 3.01Å; E722-R764 IonicContact OE1-NH2 3.48Å; E722-R764 PolarHBondContact OE1-NH2 2.82Å; S747-R764 WeakPolarHBondContact OG-CD 3.34Å; S747-R764 WeakPolarHBondContact OG-CG 3.26Å; R749-R764 HydrophobicContact CG-CB 4.45Å; R749-R764 HydrophobicContact CG-CG 3.87Å
765C90.8Very high89.7Confident25 Ų2555 Ų5517%0.16930%0.299CS..EExtended strand (participates in β ladder)trans-97.1118.1160.81770000109P682 P683 F748P682-C765 HydrophobicContact CB-CB 4.13Å; P683-C765 HydrophobicContact CG-CB 3.87Å; P683-C765 WeakPolarHBondContact O-CB 3.38Å; P683-C765 PolarHBondContact O-SG 2.88Å; F748-C765 PolarHBondContact N-O 2.86Å; F748-C765 PolarHBondContact O-N 2.98Å
766E92.4Very high89.6Confident141 Ų14152.9 Ų52.966%0.65929%0.291SS*.EExtended strand (participates in β ladder)trans-89.5128.2172.8-70.8-175.5-168.500110.9T745 Y746T745-E766 HydrophobicContact CG2-CB 3.85Å; T745-E766 HydrophobicContact CG2-CG 4.3Å; Y746-E766 WeakPolarHBondContact O-CA 3.47Å
767V90.6Very high89.6Confident9 Ų950.9 Ų50.96%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-131119.51781800000109.2L685 V694 L696 T745 Y746 F748L685-V767 HydrophobicContact CD1-CG1 4.06Å; L685-V767 HydrophobicContact CD2-CG1 4.17Å; V694-V767 HydrophobicContact CB-CG1 4.45Å; V694-V767 HydrophobicContact CG1-CG1 3.86Å; L696-V767 HydrophobicContact CD2-CG2 4.38Å; T745-V767 WeakPolarHBondContact CA-O 3.46Å; Y746-V767 PolarHBondContact N-O 2.62Å; Y746-V767 PolarHBondContact O-N 3.12Å; F748-V767 HydrophobicContact CD2-CB 4.28Å; F748-V767 HydrophobicContact CD2-CG2 4.16Å; F748-V767 HydrophobicContact CE2-CB 4.05Å; F748-V767 HydrophobicContact CE2-CG2 4.36Å
768T89.8Confident89.4Confident72 Ų7255.9 Ų55.944%0.44229%0.288SS..EExtended strand (participates in β ladder)trans-81.2127.2167.1-44.70000109.8P689 K744 T745P689-T768 WeakPolarHBondContact CB-O 3.37Å; P689-T768 WeakPolarHBondContact CG-O 3.48Å; K744-T768 WeakPolarHBondContact O-CA 3.37Å; T745-T768 PolarHBondContact OG1-OG1 3.2Å
769T89.6Confident89.1Confident5 Ų554.7 Ų54.73%0.03129%0.293CS..PPolyproline II helixtrans-62154.5171.647.80000111.2V694 L740 L741 P742 G743 K744 Y746V694-T769 HydrophobicContact CG1-CG2 4.19Å; L740-T769 HydrophobicContact CB-CG2 3.72Å; L740-T769 HydrophobicContact CD1-CG2 3.85Å; L740-T769 HydrophobicContact CG-CG2 4.45Å; L741-T769 WeakPolarHBondContact O-CB 3.24Å; L741-T769 PolarHBondContact O-OG1 3.3Å; P742-T769 WeakPolarHBondContact CA-OG1 3.4Å; G743-T769 PolarHBondContact N-OG1 2.95Å; K744-T769 PolarHBondContact N-OG1 3.27Å; K744-T769 PolarHBondContact O-N 2.98Å; K744-T769 PolarHBondContact O-OG1 3.22Å; Y746-T769 HydrophobicContact CD2-CG2 4.11Å; Y746-T769 HydrophobicContact CE2-CG2 4.08Å
770G86.1Confident89Confident6 Ų654.4 Ų54.46%0.06229%0.29CS..PPolyproline II helixtrans-60.5158.2175.500000111.8P689 K690 A691 G743P689-G770 WeakPolarHBondContact O-CA 3.3Å; K690-G770 PolarHBondContact O-N 2.85Å; A691-G770 WeakPolarHBondContact CA-O 3.31Å; G743-G770 PolarHBondContact N-O 2.81Å; G743-G770 VanDerWaalsContact N-O 3.12Å
771P85.3Confident88.8Confident66 Ų6653.8 Ų53.843%0.42929%0.291SS..PPolyproline II helixtrans-63.9141.1170.629.7-34.8000109.7N800 A802 A850P771-N800 CarbonylContact C-O 3.5Å; P771-N800 VanDerWaalsContact CA-O 3.28Å; P771-N800 WeakPolarHBondContact CA-O 3.44Å; P771-A802 HydrophobicContact CB-CB 3.81Å; P771-A850 HydrophobicContact CB-CB 3.99Å; P771-A850 HydrophobicContact CG-CB 4.16Å; P771-A850 WeakPolarHBondContact O-CB 3.28Å
772G85.4Confident88.6Confident6 Ų653 Ų536%0.06229%0.288CS..  trans-108.1163.7172.800000111.2N800 N848G772-N800 PolarHBondContact N-O 2.78Å; G772-N848 PolarHBondContact O-ND2 3.24Å; G772-N848 PolarHBondContact O-OD1 3.48Å
773A85.8Confident88.2Confident34 Ų3456.7 Ų56.728%0.28131%0.311SS..PPolyproline II helixtrans-54.2153.1164.600000110.5N800A773-N800 WeakPolarHBondContact O-CB 3.19Å; A773-N800 PolarHBondContact O-ND2 2.87Å
774P86.8Confident87.8Confident4 Ų451.9 Ų51.93%0.02629%0.294CS..PPolyproline II helixtrans-57.9154.5179.8-25.137.4000112.5P797 V804 A846 N848 G853P774-P797 HydrophobicContact CB-CG 3.99Å; P774-V804 HydrophobicContact CB-CG2 4.25Å; P774-V804 HydrophobicContact CG-CG2 4.09Å; P774-A846 HydrophobicContact CB-CB 3.7Å; P774-A846 HydrophobicContact CG-CB 3.93Å; P774-N848 HydrophobicContact CG-CB 4Å; P774-G853 WeakPolarHBondContact O-CA 3.37Å
775E84.9Confident87.4Confident82 Ų8252.9 Ų52.938%0.38330%0.301SS..PPolyproline II helixtrans-67164.8169.7-58.4-163.2131.800111.1C777 P797 P798 N800E775-C777 PolarHBondContact O-N 2.9Å; E775-P797 HydrophobicContact CB-CB 4.44Å; E775-P797 WeakPolarHBondContact O-CB 3.4Å; E775-P798 WeakPolarHBondContact OE2-CG 3.26Å; E775-N800 VanDerWaalsContact CG-ND2 3.26Å; E775-N800 WeakPolarHBondContact CG-ND2 3.25Å
776Q87.2Confident87Confident90 Ų9053.6 Ų53.642%0.42131%0.307SS..PPolyproline II helixtrans-55.5129.6176.3-160.1-175.36.800109.8P854 F855 E857Q776-P854 HydrophobicContact CB-CG 3.87Å; Q776-P854 HydrophobicContact CG-CB 4.45Å; Q776-P854 HydrophobicContact CG-CG 4.08Å; Q776-F855 WeakPolarHBondContact CG-O 3.43Å; Q776-F855 PolarHBondContact NE2-O 3.11Å; Q776-E857 PolarHBondContact NE2-OE1 2.87Å
777C87.3Confident86.5Confident4 Ų448.6 Ų48.63%0.02729%0.287CS..PPolyproline II helixtrans-64.3145.2173.3-68.70000109.8E775 V844 S856E775-C777 PolarHBondContact O-N 2.9Å; C777-V844 HydrophobicContact CB-CG1 3.77Å; C777-S856 WeakPolarHBondContact O-CA 3.45Å; C777-S856 WeakPolarHBondContact O-CB 3.23Å
778K87.4Confident86.2Confident133 Ų13350.9 Ų50.958%0.57830%0.303SS*.PPolyproline II helixtrans-57150.4165.3-68.6-179.8-178.3172.20109.5E795K778-E795 WeakPolarHBondContact CD-OE2 3.39Å; K778-E795 WeakPolarHBondContact CE-OE2 3.08Å; K778-E795 IonicContact NZ-OE1 2.66Å; K778-E795 PolarHBondContact NZ-OE1 2.92Å; K778-E795 IonicContact NZ-OE2 2.76Å; K778-E795 PolarHBondContact NZ-OE2 3.06Å
779A87.3Confident85.9Confident58 Ų5847.9 Ų47.948%0.47929%0.285SS..PPolyproline II helixtrans-47.5124169.600000110.7V859A779-V859 HydrophobicContact CB-CG2 3.63Å
780P90.4Very high85.9Confident3 Ų347.6 Ų47.62%0.01928%0.283CS..PPolyproline II helixtrans-71.4138.7-173.227.1-35.5000112.6T782 V792 S793 W794 V844 S856 V859P780-T782 PolarHBondContact O-N 2.91Å; P780-V792 HydrophobicContact CB-CG1 3.69Å; P780-V792 HydrophobicContact CG-CG1 4.19Å; P780-S793 CarbonylContact C-O 3.51Å; P780-S793 VanDerWaalsContact CA-O 3.31Å; P780-S793 WeakPolarHBondContact CA-O 3.17Å; P780-S793 WeakPolarHBondContact CB-O 3.34Å; P780-W794 HydrophobicContact CB-CB 4.38Å; P780-V844 HydrophobicContact CB-CG1 4.21Å; P780-V844 HydrophobicContact CG-CG1 4.34Å; P780-S856 WeakPolarHBondContact CD-OG 3.13Å; P780-V859 HydrophobicContact CG-CB 4.32Å; P780-V859 HydrophobicContact CG-CG2 4.2Å; P780-V859 WeakPolarHBondContact O-CG2 3.42Å
781A89.1Confident86.1Confident60 Ų6049.9 Ų49.950%0.49629%0.293SS..EExtended strand (participates in β ladder)trans-79.9120.5177.300000111S793A781-S793 PolarHBondContact N-O 2.85Å; A781-S793 PolarHBondContact O-N 2.7Å; A781-S793 PolarHBondContact O-OG 2.74Å
782T88.5Confident86.4Confident40 Ų4046.7 Ų46.725%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-103.6129.7-178.958.30000111.6P780 I791 V792 C842 V859 C861P780-T782 PolarHBondContact O-N 2.91Å; T782-I791 CarbonylContact C-O 3.52Å; T782-I791 WeakPolarHBondContact CA-O 3.32Å; T782-V792 HydrophobicContact CG2-CG1 4.32Å; T782-V792 HydrophobicContact CG2-CG2 4.26Å; T782-C842 WeakPolarHBondContact CG2-SG 3.27Å; T782-V859 HydrophobicContact CG2-CG1 3.84Å; T782-C861 HydrophobicContact CG2-CB 3.87Å; T782-C861 WeakPolarHBondContact OG1-CB 3.29Å
783T87.1Confident86.7Confident84 Ų8448.2 Ų48.252%0.51528%0.282SS..EExtended strand (participates in β ladder)trans-123.4115.2176.7-59.40000110.1K785 I791T783-K785 PolarHBondContact O-N 2.69Å; T783-I791 PolarHBondContact N-O 2.76Å; T783-I791 PolarHBondContact O-N 3.04Å
784C82.5Confident87Confident56 Ų5647.4 Ų47.438%0.37827%0.272SS..EExtended strand (participates in β ladder)trans-73.1120.6177.3-59.20000110.3V790 Q862 P864C784-V790 HydrophobicContact CB-CG2 4.48Å; C784-Q862 PolarHBondContact SG-O 2.76Å; C784-Q862 VanDerWaalsContact SG-O 3.32Å; C784-P864 HydrophobicContact CB-CG 4.48Å
785K82.4Confident87.1Confident132 Ų13252.6 Ų52.657%0.57430%0.296SS*.EExtended strand (participates in β ladder)trans-97.1-31.4-179.4-171.9-176.7-179.8176.50112T783 C789 I791 E830T783-K785 PolarHBondContact O-N 2.69Å; K785-C789 HydrophobicContact CB-CB 4.29Å; K785-C789 PolarHBondContact N-O 3.47Å; K785-I791 HydrophobicContact CD-CD1 4.22Å; K785-E830 VanDerWaalsContact CD-OE1 3.31Å; K785-E830 WeakPolarHBondContact CD-OE1 3.35Å; K785-E830 IonicContact NZ-OE1 3.14Å; K785-E830 PolarHBondContact NZ-OE1 3Å
786S81.7Confident87.2Confident40 Ų4051.6 Ų51.628%0.2830%0.298SS..EExtended strand (participates in β ladder)trans-158.6172.5172.675.20000109.8S788 C789S786-S788 PolarHBondContact O-N 2.52Å; S786-S788 PolarHBondContact OG-N 3.45Å; S786-S788 PolarHBondContact OG-OG 3.12Å; S786-C789 PolarHBondContact N-O 3.38Å; S786-C789 VanDerWaalsContact N-O 3.13Å; S786-C789 PolarHBondContact O-N 3.43Å; S786-C789 VanDerWaalsContact O-O 3.12Å; S786-C789 VanDerWaalsContact OG-CB 3.27Å; S786-C789 WeakPolarHBondContact OG-CB 3.47Å; S786-C789 PolarHBondContact OG-N 2.77Å
787P81.8Confident87.1Confident37 Ų3747.8 Ų47.824%0.2428%0.281CS..THydrogen-bonded Turntrans-56-14.1171.5-28.637.4000115.6P836 T863 P864P787-P836 HydrophobicContact CB-CB 4.01Å; P787-P836 HydrophobicContact CB-CG 3.93Å; P787-P836 WeakPolarHBondContact O-CA 3.5Å; P787-T863 WeakPolarHBondContact O-CB 3.47Å; P787-P864 WeakPolarHBondContact CB-O 3.33Å; P787-P864 HydrophobicContact CG-CG 4.17Å
788S83.3Confident86.7Confident56 Ų5651.4 Ų51.439%0.39230%0.304SS..THydrogen-bonded Turntrans-124.211.4-18060.70000114.4S786 K832 G833 L834S786-S788 PolarHBondContact O-N 2.52Å; S786-S788 PolarHBondContact OG-N 3.45Å; S786-S788 PolarHBondContact OG-OG 3.12Å; S788-K832 CarbonylContact O-C 3.55Å; S788-G833 PolarHBondContact O-N 2.88Å; S788-L834 VanDerWaalsContact CA-O 3.27Å; S788-L834 WeakPolarHBondContact CA-O 3.47Å; S788-L834 VanDerWaalsContact CB-O 3.23Å; S788-L834 WeakPolarHBondContact CB-O 3.38Å; S788-L834 PolarHBondContact O-N 2.9Å; S788-L834 VanDerWaalsContact O-N 3.11Å
789C85.3Confident86Confident9 Ų948.1 Ų48.16%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-147.3125.1-175.3-170.90000112.7K785 S786 M831K785-C789 HydrophobicContact CB-CB 4.29Å; K785-C789 PolarHBondContact N-O 3.47Å; S786-C789 PolarHBondContact N-O 3.38Å; S786-C789 VanDerWaalsContact N-O 3.13Å; S786-C789 PolarHBondContact O-N 3.43Å; S786-C789 VanDerWaalsContact O-O 3.12Å; S786-C789 VanDerWaalsContact OG-CB 3.27Å; S786-C789 WeakPolarHBondContact OG-CB 3.47Å; S786-C789 PolarHBondContact OG-N 2.77Å; C789-M831 VanDerWaalsContact CA-O 3.26Å; C789-M831 WeakPolarHBondContact CA-O 3.49Å; C789-M831 PolarHBondContact SG-O 3.28Å
790V88.8Confident85.7Confident0 Ų045.9 Ų45.90%028%0.278CS..EExtended strand (participates in β ladder)trans-125.9133175.2175.80000109C784 V792 M831 L834 T863C784-V790 HydrophobicContact CB-CG2 4.48Å; V790-V792 HydrophobicContact CG1-CG2 4.27Å; V790-M831 PolarHBondContact N-O 3.3Å; V790-M831 WeakPolarHBondContact O-CB 3.45Å; V790-M831 PolarHBondContact O-N 2.85Å; V790-L834 HydrophobicContact CB-CD1 3.83Å; V790-L834 HydrophobicContact CG2-CD1 3.63Å; V790-T863 HydrophobicContact CG2-CG2 4.06Å
791I90.4Very high84.9Confident53 Ų5348 Ų4827%0.27230%0.3SS..EExtended strand (participates in β ladder)trans-91.6125.2169-62.7169000107.5T782 T783 K785 H829 E830T782-I791 CarbonylContact C-O 3.52Å; T782-I791 WeakPolarHBondContact CA-O 3.32Å; T783-I791 PolarHBondContact N-O 2.76Å; T783-I791 PolarHBondContact O-N 3.04Å; K785-I791 HydrophobicContact CD-CD1 4.22Å; I791-H829 WeakPolarHBondContact CA-O 3.21Å; I791-E830 HydrophobicContact CG1-CB 4.34Å; I791-E830 HydrophobicContact CG1-CG 4Å
792V91.4Very high84.6Confident0 Ų045.5 Ų45.50%028%0.279CS..EExtended strand (participates in β ladder)trans-106.1136.2172.4-170.40000108.3P780 T782 V790 W794 L809 S828 H829 M831P780-V792 HydrophobicContact CB-CG1 3.69Å; P780-V792 HydrophobicContact CG-CG1 4.19Å; T782-V792 HydrophobicContact CG2-CG1 4.32Å; T782-V792 HydrophobicContact CG2-CG2 4.26Å; V790-V792 HydrophobicContact CG1-CG2 4.27Å; V792-W794 HydrophobicContact CB-CZ3 4.39Å; V792-W794 HydrophobicContact CG1-CE3 4.25Å; V792-W794 HydrophobicContact CG1-CZ3 4.29Å; V792-L809 HydrophobicContact CB-CD1 4.48Å; V792-L809 HydrophobicContact CB-CD2 3.99Å; V792-L809 HydrophobicContact CG1-CD1 3.83Å; V792-L809 HydrophobicContact CG1-CD2 4.24Å; V792-L809 HydrophobicContact CG2-CD2 4.3Å; V792-S828 CarbonylContact O-C 3.57Å; V792-S828 WeakPolarHBondContact O-CA 3.45Å; V792-S828 WeakPolarHBondContact O-CB 3.46Å; V792-H829 PolarHBondContact N-O 3.39Å; V792-H829 PolarHBondContact O-N 3.22Å; V792-M831 HydrophobicContact CG2-CG 4.48Å; V792-M831 HydrophobicContact CG2-SD 3.54Å; V792-M831 VanDerWaalsContact CG2-SD 3.54Å
793S91.6Very high84.3Confident37 Ų3747.7 Ų47.726%0.25929%0.294SS..EExtended strand (participates in β ladder)trans-141150-175.7590000111.6P780 A781 L827P780-S793 CarbonylContact C-O 3.51Å; P780-S793 VanDerWaalsContact CA-O 3.31Å; P780-S793 WeakPolarHBondContact CA-O 3.17Å; P780-S793 WeakPolarHBondContact CB-O 3.34Å; A781-S793 PolarHBondContact N-O 2.85Å; A781-S793 PolarHBondContact O-N 2.7Å; A781-S793 PolarHBondContact O-OG 2.74Å; S793-L827 WeakPolarHBondContact CA-O 3.4Å
794W92.9Very high84.3Confident17 Ų1745.1 Ų45.16%0.06428%0.278CS..  trans-149.4157.8-173.553.291.4000112.1P780 V792 F807 L809 Y822 G826 L827 H829 V844P780-W794 HydrophobicContact CB-CB 4.38Å; V792-W794 HydrophobicContact CB-CZ3 4.39Å; V792-W794 HydrophobicContact CG1-CE3 4.25Å; V792-W794 HydrophobicContact CG1-CZ3 4.29Å; W794-F807 AromaticContact CD1-CD1 3.54Å; W794-F807 AromaticContact CD1-CE1 3.69Å; W794-F807 AromaticContact CD1-CG 3.92Å; W794-F807 HydrophobicContact CZ2-CB 4.03Å; W794-F807 AromaticContact NE1-CD1 3.31Å; W794-F807 VanDerWaalsContact NE1-CD1 3.31Å; W794-F807 AromaticContact NE1-CD2 3.58Å; W794-F807 AromaticContact NE1-CE1 3.81Å; W794-F807 AromaticContact NE1-CG 3.17Å; W794-L809 HydrophobicContact CH2-CB 4.37Å; W794-L809 HydrophobicContact CH2-CD2 4.35Å; W794-L809 HydrophobicContact CZ3-CD1 4.2Å; W794-L809 HydrophobicContact CZ3-CD2 3.99Å; W794-L809 HydrophobicContact CZ3-CG 4.48Å; W794-Y822 AromaticContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CE1 4.25Å; W794-Y822 AromaticContact CZ2-CD1 3.9Å; W794-Y822 HydrophobicContact CZ2-CD1 3.9Å; W794-Y822 AromaticContact CZ2-CE1 3.95Å; W794-Y822 HydrophobicContact CZ2-CE1 3.95Å; W794-G826 WeakPolarHBondContact CZ2-O 3.45Å; W794-G826 PolarHBondContact NE1-O 2.79Å; W794-G826 VanDerWaalsContact NE1-O 3.11Å; W794-L827 PolarHBondContact N-O 3Å; W794-H829 HydrophobicContact CH2-CB 3.95Å; W794-H829 HydrophobicContact CZ3-CB 4.24Å; W794-V844 HydrophobicContact CB-CG1 3.91Å; W794-V844 HydrophobicContact CD2-CB 4.47Å; W794-V844 HydrophobicContact CD2-CG1 4.48Å; W794-V844 HydrophobicContact CD2-CG2 3.91Å; W794-V844 HydrophobicContact CE3-CG2 4.42Å; W794-V844 HydrophobicContact CG-CG1 4.09Å; W794-V844 HydrophobicContact CG-CG2 4.05Å; W794-V844 HydrophobicContact CZ2-CG2 4.47Å
795E88.9Confident84.6Confident114 Ų11445.8 Ų45.853%0.53328%0.281SS..PPolyproline II helixtrans-92.5153.6172.3-64.9178.3-167.700110.5K778K778-E795 WeakPolarHBondContact CD-OE2 3.39Å; K778-E795 WeakPolarHBondContact CE-OE2 3.08Å; K778-E795 IonicContact NZ-OE1 2.66Å; K778-E795 PolarHBondContact NZ-OE1 2.92Å; K778-E795 IonicContact NZ-OE2 2.76Å; K778-E795 PolarHBondContact NZ-OE2 3.06Å
796S85.8Confident85Confident61 Ų6141.2 Ų41.243%0.42726%0.261SS..PPolyproline II helixtrans-70.6129.8168.3-177.30000110.1
797P85.9Confident85.6Confident10 Ų1039.7 Ų39.77%0.06525%0.249CC..PPolyproline II helixtrans-67.5164.8171.729.8-35.3000111.4P774 E775 C799 V804 A846P774-P797 HydrophobicContact CB-CG 3.99Å; E775-P797 HydrophobicContact CB-CB 4.44Å; E775-P797 WeakPolarHBondContact O-CB 3.4Å; P797-C799 PolarHBondContact O-N 2.82Å; P797-V804 HydrophobicContact CG-CG2 4.21Å; P797-A846 HydrophobicContact CG-CB 3.64Å
798P78.1Confident86.1Confident79 Ų7941.7 Ų41.751%0.51325%0.252SS..PPolyproline II helixtrans-54.4135.8173.7-27.237.1000112.8E775 N800E775-P798 WeakPolarHBondContact OE2-CG 3.26Å; P798-N800 PolarHBondContact O-N 2.82Å
799C72.6Confident86.5Confident64 Ų6439 Ų3943%0.43223%0.234SC..  trans-78.5106.9-179.1-68.60000111.1P797 G801P797-C799 PolarHBondContact O-N 2.82Å; C799-G801 PolarHBondContact O-N 2.92Å
800N80.7Confident86.8Confident12 Ų1239.9 Ų39.96%0.06424%0.237CC..SBendtrans-73.154.6178-88-17.2000113P742 P771 G772 A773 E775 P798 A802P742-N800 HydrophobicContact CB-CB 3.98Å; P742-N800 HydrophobicContact CG-CB 4.35Å; P771-N800 CarbonylContact C-O 3.5Å; P771-N800 VanDerWaalsContact CA-O 3.28Å; P771-N800 WeakPolarHBondContact CA-O 3.44Å; G772-N800 PolarHBondContact N-O 2.78Å; A773-N800 WeakPolarHBondContact O-CB 3.19Å; A773-N800 PolarHBondContact O-ND2 2.87Å; E775-N800 VanDerWaalsContact CG-ND2 3.26Å; E775-N800 WeakPolarHBondContact CG-ND2 3.25Å; P798-N800 PolarHBondContact O-N 2.82Å; N800-A802 VanDerWaalsContact C-N 3.25Å; N800-A802 PolarHBondContact O-N 3.42Å
801G74Confident86.9Confident47 Ų4743.7 Ų43.749%0.48525%0.251SS..SBendtrans81.1-7.1-177.900000115.7G743 C799G743-G801 VanDerWaalsContact CA-CA 3.48Å; C799-G801 PolarHBondContact O-N 2.92Å
802A82.8Confident86.8Confident7 Ų741.5 Ų41.56%0.05824%0.241CC..SBendtrans-140.3142.9173.100000110.6P771 N800 N848 V849P771-A802 HydrophobicContact CB-CB 3.81Å; N800-A802 VanDerWaalsContact C-N 3.25Å; N800-A802 PolarHBondContact O-N 3.42Å; A802-N848 HydrophobicContact CB-CB 4.37Å; A802-N848 PolarHBondContact O-ND2 2.97Å; A802-V849 HydrophobicContact CB-CG2 3.79Å
803P83.2Confident86.3Confident87 Ų8744.4 Ų44.457%0.56527%0.266SS*.  trans-67.3146.2178.929.6-35.5000111.3N848P803-N848 WeakPolarHBondContact O-CB 3.26Å
804V87.1Confident85.7Confident29 Ų2944.9 Ų44.918%0.17627%0.272CS..EExtended strand (participates in β ladder)trans-65.9131.7170.4-179.30000109.2P774 P797 F807 A846 V847P774-V804 HydrophobicContact CB-CG2 4.25Å; P774-V804 HydrophobicContact CG-CG2 4.09Å; P797-V804 HydrophobicContact CG-CG2 4.21Å; V804-F807 HydrophobicContact CB-CZ 4.39Å; V804-F807 HydrophobicContact CG1-CD1 4.45Å; V804-F807 HydrophobicContact CG1-CD2 4.33Å; V804-F807 HydrophobicContact CG1-CE1 3.98Å; V804-F807 HydrophobicContact CG1-CE2 3.83Å; V804-F807 HydrophobicContact CG1-CZ 3.64Å; V804-A846 HydrophobicContact CG1-CB 3.83Å; V804-A846 HydrophobicContact CG2-CB 4.19Å; V804-V847 WeakPolarHBondContact CG1-O 3.41Å
805T88.3Confident84.8Confident71 Ų7149.6 Ų49.644%0.43629%0.294SS..EExtended strand (participates in β ladder)trans-109.5-25.1-176.852.50000113.1V847 V849T805-V847 PolarHBondContact N-O 3.19Å; T805-V847 PolarHBondContact OG1-O 3.06Å; T805-V849 HydrophobicContact CG2-CG1 4.39Å
806E91.3Very high84Confident35 Ų3548.3 Ų48.316%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-154144.2-174.2-168.6-150.2145.500109.5R808 S823 V847E806-R808 WeakPolarHBondContact OE1-CD 3.45Å; E806-R808 WeakPolarHBondContact OE1-CG 3.5Å; E806-R808 IonicContact OE1-CZ 3.84Å; E806-R808 IonicContact OE1-NE 2.73Å; E806-R808 PolarHBondContact OE1-NE 2.91Å; E806-R808 IonicContact OE1-NH2 3.13Å; E806-R808 PolarHBondContact OE1-NH2 3.23Å; E806-R808 IonicContact OE2-CZ 2.68Å; E806-R808 IonicContact OE2-NE 2.69Å; E806-R808 IonicContact OE2-NH2 2.65Å; E806-R808 PolarHBondContact OE2-NH2 3.06Å; E806-S823 PolarHBondContact OE1-OG 2.81Å; E806-V847 HydrophobicContact CB-CB 4.14Å; E806-V847 HydrophobicContact CB-CG2 4.44Å; E806-V847 PolarHBondContact N-O 2.83Å; E806-V847 PolarHBondContact O-N 3.06Å
807F92.9Very high83.7Confident8 Ų848.7 Ų48.74%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-114.8142.4166.2-63.6-89.8000109.5W794 V804 S823 G824 G826 L827 V844 Q845 A846W794-F807 AromaticContact CD1-CD1 3.54Å; W794-F807 AromaticContact CD1-CE1 3.69Å; W794-F807 AromaticContact CD1-CG 3.92Å; W794-F807 HydrophobicContact CZ2-CB 4.03Å; W794-F807 AromaticContact NE1-CD1 3.31Å; W794-F807 VanDerWaalsContact NE1-CD1 3.31Å; W794-F807 AromaticContact NE1-CD2 3.58Å; W794-F807 AromaticContact NE1-CE1 3.81Å; W794-F807 AromaticContact NE1-CG 3.17Å; V804-F807 HydrophobicContact CB-CZ 4.39Å; V804-F807 HydrophobicContact CG1-CD1 4.45Å; V804-F807 HydrophobicContact CG1-CD2 4.33Å; V804-F807 HydrophobicContact CG1-CE1 3.98Å; V804-F807 HydrophobicContact CG1-CE2 3.83Å; V804-F807 HydrophobicContact CG1-CZ 3.64Å; F807-S823 WeakPolarHBondContact O-CA 3.23Å; F807-G824 PolarHBondContact N-O 2.83Å; F807-G824 PolarHBondContact O-N 2.84Å; F807-G826 VanDerWaalsContact CD2-O 3.26Å; F807-G826 WeakPolarHBondContact CD2-O 3.25Å; F807-L827 HydrophobicContact CD2-CD2 4.36Å; F807-L827 HydrophobicContact CE1-CD2 4.38Å; F807-L827 HydrophobicContact CE2-CD2 3.56Å; F807-L827 HydrophobicContact CZ-CD2 3.57Å; F807-V844 HydrophobicContact CB-CG2 4.15Å; F807-V844 HydrophobicContact CD1-CG2 4.26Å; F807-Q845 CarbonylContact C-O 3.52Å; F807-Q845 WeakPolarHBondContact CA-O 3.43Å; F807-A846 HydrophobicContact CD1-CB 3.92Å; F807-A846 HydrophobicContact CE1-CB 3.84Å
808R92.6Very high83.7Confident79 Ų7949.2 Ų49.230%0.29832%0.317SS..EExtended strand (participates in β ladder)trans-117.5119.4173.3-63.6177.7-175.1160.112.5109.7E806 Y822 V844 Q845E806-R808 WeakPolarHBondContact OE1-CD 3.45Å; E806-R808 WeakPolarHBondContact OE1-CG 3.5Å; E806-R808 IonicContact OE1-CZ 3.84Å; E806-R808 IonicContact OE1-NE 2.73Å; E806-R808 PolarHBondContact OE1-NE 2.91Å; E806-R808 IonicContact OE1-NH2 3.13Å; E806-R808 PolarHBondContact OE1-NH2 3.23Å; E806-R808 IonicContact OE2-CZ 2.68Å; E806-R808 IonicContact OE2-NE 2.69Å; E806-R808 IonicContact OE2-NH2 2.65Å; E806-R808 PolarHBondContact OE2-NH2 3.06Å; R808-Y822 VanDerWaalsContact CA-O 3.32Å; R808-Y822 WeakPolarHBondContact CA-O 3.49Å; R808-V844 WeakPolarHBondContact O-CA 3.4Å; R808-Q845 HydrophobicContact CB-CG 3.82Å; R808-Q845 PolarHBondContact N-O 2.97Å; R808-Q845 PolarHBondContact O-N 2.94Å
809L92.4Very high84Confident0 Ų052.3 Ų52.30%032%0.324CS..EExtended strand (participates in β ladder)trans-99.3126174.9-176.268.9000109.2V792 W794 V820 C821 Y822 H829 M831 C842 V844V792-L809 HydrophobicContact CB-CD1 4.48Å; V792-L809 HydrophobicContact CB-CD2 3.99Å; V792-L809 HydrophobicContact CG1-CD1 3.83Å; V792-L809 HydrophobicContact CG1-CD2 4.24Å; V792-L809 HydrophobicContact CG2-CD2 4.3Å; W794-L809 HydrophobicContact CH2-CB 4.37Å; W794-L809 HydrophobicContact CH2-CD2 4.35Å; W794-L809 HydrophobicContact CZ3-CD1 4.2Å; W794-L809 HydrophobicContact CZ3-CD2 3.99Å; W794-L809 HydrophobicContact CZ3-CG 4.48Å; L809-V820 WeakPolarHBondContact O-CA 3.46Å; L809-C821 PolarHBondContact O-N 3.47Å; L809-C821 PolarHBondContact O-SG 3.06Å; L809-Y822 PolarHBondContact N-O 3.19Å; L809-Y822 PolarHBondContact O-N 2.76Å; L809-H829 HydrophobicContact CD2-CB 4.08Å; L809-M831 HydrophobicContact CD2-SD 4.27Å; L809-C842 HydrophobicContact CD1-CB 4.44Å; L809-V844 HydrophobicContact CD1-CB 4.14Å
810E92.1Very high84.8Confident28 Ų2853 Ų5313%0.13133%0.326CS..EExtended strand (participates in β ladder)trans-106.6147.2168.1-73-175.4168.200110.8M818 Q819 V820 C842 R843 F855E810-M818 HydrophobicContact CB-CB 4.06Å; E810-M818 HydrophobicContact CB-SD 4.37Å; E810-Q819 VanDerWaalsContact CA-O 3.29Å; E810-Q819 WeakPolarHBondContact CA-O 3.31Å; E810-V820 HydrophobicContact CG-CB 4.47Å; E810-V820 HydrophobicContact CG-CG2 3.73Å; E810-C842 CarbonylContact O-C 3.53Å; E810-C842 VanDerWaalsContact O-CA 3.25Å; E810-C842 WeakPolarHBondContact O-CA 3.42Å; E810-R843 HydrophobicContact CB-CG 4.04Å; E810-R843 PolarHBondContact N-O 2.87Å; E810-R843 PolarHBondContact O-N 2.93Å; E810-R843 IonicContact OE2-CZ 2.74Å; E810-R843 IonicContact OE2-NE 3.2Å; E810-R843 PolarHBondContact OE2-NE 3.49Å; E810-R843 IonicContact OE2-NH2 2.68Å; E810-R843 PolarHBondContact OE2-NH2 2.82Å; E810-F855 HydrophobicContact CB-CE1 4.32Å; E810-F855 VanDerWaalsContact CD-CE1 3.47Å; E810-F855 HydrophobicContact CG-CE1 3.79Å; E810-F855 HydrophobicContact CG-CZ 4.05Å; E810-F855 VanDerWaalsContact OE1-CZ 3.26Å; E810-F855 WeakPolarHBondContact OE1-CZ 3.49Å; E810-F855 WeakPolarHBondContact OE2-CE1 3.42Å; E810-F855 VanDerWaalsContact OE2-CZ 3.22Å; E810-F855 WeakPolarHBondContact OE2-CZ 3.3Å
811W90.8Very high85Confident80 Ų8054.4 Ų54.430%0.30334%0.337SS..EExtended strand (participates in β ladder)trans-143.2152.517678.2-62000111.6M818 Q819 C821 M831 L834 Y840 F841W811-M818 CarbonylContact O-C 3.46Å; W811-M818 WeakPolarHBondContact O-CA 3.49Å; W811-Q819 VanDerWaalsContact CD1-O 3.24Å; W811-Q819 PolarHBondContact N-O 3.27Å; W811-Q819 PolarHBondContact O-N 3.22Å; W811-C821 HydrophobicContact CG-CB 4.32Å; W811-M831 HydrophobicContact CB-CE 3.57Å; W811-M831 HydrophobicContact CB-SD 4.11Å; W811-M831 HydrophobicContact CD2-CE 3.61Å; W811-M831 HydrophobicContact CE3-CE 3.45Å; W811-M831 VanDerWaalsContact CE3-CE 3.45Å; W811-M831 HydrophobicContact CG-CE 3.67Å; W811-M831 HydrophobicContact CG-SD 4.45Å; W811-M831 HydrophobicContact CZ3-CE 4.36Å; W811-L834 HydrophobicContact CE3-CD2 3.85Å; W811-L834 HydrophobicContact CH2-CD2 4.02Å; W811-L834 HydrophobicContact CZ3-CD2 3.32Å; W811-Y840 AromaticContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CE1 4.09Å; W811-Y840 HydrophobicContact CE3-CG 4.45Å; W811-Y840 AromaticContact CZ3-CD1 3.69Å; W811-Y840 HydrophobicContact CZ3-CD1 3.69Å; W811-Y840 AromaticContact CZ3-CE1 3.52Å; W811-Y840 HydrophobicContact CZ3-CE1 3.52Å; W811-F841 CarbonylContact C-O 3.49Å; W811-F841 WeakPolarHBondContact CA-O 3.4Å
812G87.5Confident85.8Confident6 Ų654.5 Ų54.56%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-170.1160.917300000113.4A814 Y840 F841G812-A814 VanDerWaalsContact C-N 3.26Å; G812-A814 PolarHBondContact O-N 3.06Å; G812-Y840 WeakPolarHBondContact O-CA 3.43Å; G812-F841 PolarHBondContact N-O 2.8Å; G812-F841 PolarHBondContact O-N 2.82Å
813A80.9Confident86.2Confident62 Ų6257.8 Ų57.851%0.51235%0.345SS..SBendtrans-74.8-15.1175.700000113.3Y840A813-Y840 HydrophobicContact CB-CD1 4.38Å; A813-Y840 HydrophobicContact CB-CE1 4.24Å
814A78.9Confident86.5Confident47 Ų4754.1 Ų54.139%0.38832%0.323SS..SBendtrans-139.7151.9169.500000109.8G812 G816 S817G812-A814 VanDerWaalsContact C-N 3.26Å; G812-A814 PolarHBondContact O-N 3.06Å; A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 3.05Å; A814-S817 PolarHBondContact O-N 3.22Å; A814-S817 VanDerWaalsContact O-N 3.08Å; A814-S817 PolarHBondContact O-OG 2.69Å
815E74.1Confident86.6Confident115 Ų11557.6 Ų57.654%0.53735%0.346SS..G310 helixtrans-62.4-33.4-172.1-163.8-179.5178.900113.4S817 M818 F841E815-S817 VanDerWaalsContact C-N 3.35Å; E815-S817 PolarHBondContact O-N 2.87Å; E815-M818 HydrophobicContact CB-CE 4.27Å; E815-M818 HydrophobicContact CG-CE 3.66Å; E815-F841 HydrophobicContact CB-CG 4.48Å
816G71.4Confident86.5Confident87 Ų8755.3 Ų55.390%0.89734%0.337SS*.G310 helixtrans-82.2-0.317700000115.8A814A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 3.05Å
817S80.8Confident86.5Confident70 Ų7057.9 Ų57.949%0.4935%0.351SS..G310 helixtrans-126.922.4-175.562.60000114.1A814 E815A814-S817 PolarHBondContact O-N 3.22Å; A814-S817 VanDerWaalsContact O-N 3.08Å; A814-S817 PolarHBondContact O-OG 2.69Å; E815-S817 VanDerWaalsContact C-N 3.35Å; E815-S817 PolarHBondContact O-N 2.87Å
818M85.3Confident86.4Confident21 Ų2160.8 Ų60.810%0.10337%0.372CS..  trans-66.6149.3178.1-53.4-166.8-148.300113.1E810 W811 E815 F841 R843 A858E810-M818 HydrophobicContact CB-CB 4.06Å; E810-M818 HydrophobicContact CB-SD 4.37Å; W811-M818 CarbonylContact O-C 3.46Å; W811-M818 WeakPolarHBondContact O-CA 3.49Å; E815-M818 HydrophobicContact CB-CE 4.27Å; E815-M818 HydrophobicContact CG-CE 3.66Å; M818-F841 HydrophobicContact CE-CB 3.67Å; M818-F841 HydrophobicContact SD-CB 4.3Å; M818-R843 HydrophobicContact CE-CG 4.36Å; M818-R843 HydrophobicContact SD-CG 3.76Å; M818-A858 HydrophobicContact CE-CB 3.92Å
819Q84.9Confident86.4Confident143 Ų14359.7 Ų59.767%0.66837%0.37SS*.EExtended strand (participates in β ladder)trans-132.6153.9174.7-60.1-171.25.900110.9E810 W811 C821E810-Q819 VanDerWaalsContact CA-O 3.29Å; E810-Q819 WeakPolarHBondContact CA-O 3.31Å; W811-Q819 VanDerWaalsContact CD1-O 3.24Å; W811-Q819 PolarHBondContact N-O 3.27Å; W811-Q819 PolarHBondContact O-N 3.22Å; Q819-C821 PolarHBondContact O-N 3.16Å
820V88Confident86.3Confident78 Ų7862.5 Ų62.547%0.47338%0.384SS..EExtended strand (participates in β ladder)trans-70.8120179-178.60000110.3L809 E810 Y822L809-V820 WeakPolarHBondContact O-CA 3.46Å; E810-V820 HydrophobicContact CG-CB 4.47Å; E810-V820 HydrophobicContact CG-CG2 3.73Å; V820-Y822 WeakPolarHBondContact CG1-O 3.16Å
821C86.3Confident86Confident43 Ų4361.6 Ų61.629%0.29138%0.379SS..EExtended strand (participates in β ladder)trans-103.6-23.117352.60000113.8L809 W811 Q819L809-C821 PolarHBondContact O-N 3.47Å; L809-C821 PolarHBondContact O-SG 3.06Å; W811-C821 HydrophobicContact CG-CB 4.32Å; Q819-C821 PolarHBondContact O-N 3.16Å
822Y90.6Very high85.8Confident49 Ų4964.4 Ų64.419%0.19239%0.394CS..EExtended strand (participates in β ladder)trans-138.4141.8177.6-179.8-101000111.9W794 R808 L809 V820 G824 G826 H829W794-Y822 AromaticContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CE1 4.25Å; W794-Y822 AromaticContact CZ2-CD1 3.9Å; W794-Y822 HydrophobicContact CZ2-CD1 3.9Å; W794-Y822 AromaticContact CZ2-CE1 3.95Å; W794-Y822 HydrophobicContact CZ2-CE1 3.95Å; R808-Y822 VanDerWaalsContact CA-O 3.32Å; R808-Y822 WeakPolarHBondContact CA-O 3.49Å; L809-Y822 PolarHBondContact N-O 3.19Å; L809-Y822 PolarHBondContact O-N 2.76Å; V820-Y822 WeakPolarHBondContact CG1-O 3.16Å; Y822-G824 WeakPolarHBondContact CE1-O 3.28Å; Y822-G824 WeakPolarHBondContact OH-CA 3.44Å; Y822-G826 WeakPolarHBondContact OH-CA 3.28Å; Y822-G826 PolarHBondContact OH-N 2.97Å; Y822-H829 HydrophobicContact CD2-CB 4.46Å; Y822-H829 AromaticContact CD2-CE1 3.95Å; Y822-H829 AromaticContact CD2-ND1 3.36Å; Y822-H829 WeakPolarHBondContact CD2-ND1 3.46Å; Y822-H829 HydrophobicContact CG-CB 4.19Å; Y822-H829 AromaticContact CG-ND1 3.8Å
823S90.3Very high85.6Confident76 Ų7667.4 Ų67.453%0.53143%0.425SS..EExtended strand (participates in β ladder)trans-143.2113.5175.3155.50000107E806 F807E806-S823 PolarHBondContact OE1-OG 2.81Å; F807-S823 WeakPolarHBondContact O-CA 3.23Å
824G89.4Confident85.8Confident9 Ų964.8 Ų64.89%0.09340%0.402CS..EExtended strand (participates in β ladder)trans163.8177.9179.400000114.5F807 Y822 G826F807-G824 PolarHBondContact N-O 2.83Å; F807-G824 PolarHBondContact O-N 2.84Å; Y822-G824 WeakPolarHBondContact CE1-O 3.28Å; Y822-G824 WeakPolarHBondContact OH-CA 3.44Å; G824-G826 VanDerWaalsContact C-N 3.26Å; G824-G826 PolarHBondContact O-N 2.83Å
825P89.6Confident85.9Confident103 Ų10367.7 Ų67.767%0.66941%0.411SS*.SBendtrans-80.83.6-172.633.6-37.6000114.8
826G87.6Confident86.3Confident23 Ų2363.1 Ų63.124%0.23739%0.391CS..  trans-72.6157.9-178.600000113.6W794 F807 Y822 G824W794-G826 WeakPolarHBondContact CZ2-O 3.45Å; W794-G826 PolarHBondContact NE1-O 2.79Å; W794-G826 VanDerWaalsContact NE1-O 3.11Å; F807-G826 VanDerWaalsContact CD2-O 3.26Å; F807-G826 WeakPolarHBondContact CD2-O 3.25Å; Y822-G826 WeakPolarHBondContact OH-CA 3.28Å; Y822-G826 PolarHBondContact OH-N 2.97Å; G824-G826 VanDerWaalsContact C-N 3.26Å; G824-G826 PolarHBondContact O-N 2.83Å
827L90.8Very high86.6Confident88 Ų8860 Ų6046%0.46136%0.357SS..SBendtrans-102.95.2175.6-66.3178000113.3S793 W794 F807S793-L827 WeakPolarHBondContact CA-O 3.4Å; W794-L827 PolarHBondContact N-O 3Å; F807-L827 HydrophobicContact CD2-CD2 4.36Å; F807-L827 HydrophobicContact CE1-CD2 4.38Å; F807-L827 HydrophobicContact CE2-CD2 3.56Å; F807-L827 HydrophobicContact CZ-CD2 3.57Å
828S90.3Very high86.6Confident69 Ų6958.6 Ų58.648%0.48335%0.346SS..EExtended strand (participates in β ladder)trans-157158.5173.661.60000112.6V792V792-S828 CarbonylContact O-C 3.57Å; V792-S828 WeakPolarHBondContact O-CA 3.45Å; V792-S828 WeakPolarHBondContact O-CB 3.46Å
829H91.7Very high86.7Confident56 Ų5661 Ų6126%0.25936%0.359SS..EExtended strand (participates in β ladder)trans-145.2144.8177-17372.2000111.1I791 V792 W794 L809 Y822I791-H829 WeakPolarHBondContact CA-O 3.21Å; V792-H829 PolarHBondContact N-O 3.39Å; V792-H829 PolarHBondContact O-N 3.22Å; W794-H829 HydrophobicContact CH2-CB 3.95Å; W794-H829 HydrophobicContact CZ3-CB 4.24Å; L809-H829 HydrophobicContact CD2-CB 4.08Å; Y822-H829 HydrophobicContact CD2-CB 4.46Å; Y822-H829 AromaticContact CD2-CE1 3.95Å; Y822-H829 AromaticContact CD2-ND1 3.36Å; Y822-H829 WeakPolarHBondContact CD2-ND1 3.46Å; Y822-H829 HydrophobicContact CG-CB 4.19Å; Y822-H829 AromaticContact CG-ND1 3.8Å
830E91.1Very high86.9Confident60 Ų6054.9 Ų54.928%0.2833%0.33SS..EExtended strand (participates in β ladder)trans-106.995.3-177.8-173-174.6-155.600110.2K785 I791 K832K785-E830 VanDerWaalsContact CD-OE1 3.31Å; K785-E830 WeakPolarHBondContact CD-OE1 3.35Å; K785-E830 IonicContact NZ-OE1 3.14Å; K785-E830 PolarHBondContact NZ-OE1 3Å; I791-E830 HydrophobicContact CG1-CB 4.34Å; I791-E830 HydrophobicContact CG1-CG 4Å; E830-K832 HydrophobicContact CG-CG 4.47Å; E830-K832 WeakPolarHBondContact OE2-CE 3.39Å; E830-K832 IonicContact OE2-NZ 2.73Å; E830-K832 PolarHBondContact OE2-NZ 3.49Å
831M86.8Confident87Confident8 Ų853.6 Ų53.64%0.03932%0.318CS..EExtended strand (participates in β ladder)trans-72.8134.3177.4-66.8168.547.800110.4C789 V790 V792 L809 W811 L834C789-M831 VanDerWaalsContact CA-O 3.26Å; C789-M831 WeakPolarHBondContact CA-O 3.49Å; C789-M831 PolarHBondContact SG-O 3.28Å; V790-M831 PolarHBondContact N-O 3.3Å; V790-M831 WeakPolarHBondContact O-CB 3.45Å; V790-M831 PolarHBondContact O-N 2.85Å; V792-M831 HydrophobicContact CG2-CG 4.48Å; V792-M831 HydrophobicContact CG2-SD 3.54Å; V792-M831 VanDerWaalsContact CG2-SD 3.54Å; L809-M831 HydrophobicContact CD2-SD 4.27Å; W811-M831 HydrophobicContact CB-CE 3.57Å; W811-M831 HydrophobicContact CB-SD 4.11Å; W811-M831 HydrophobicContact CD2-CE 3.61Å; W811-M831 HydrophobicContact CE3-CE 3.45Å; W811-M831 VanDerWaalsContact CE3-CE 3.45Å; W811-M831 HydrophobicContact CG-CE 3.67Å; W811-M831 HydrophobicContact CG-SD 4.45Å; W811-M831 HydrophobicContact CZ3-CE 4.36Å; M831-L834 HydrophobicContact CB-CD1 4.27Å; M831-L834 HydrophobicContact CE-CD1 4.4Å; M831-L834 HydrophobicContact CE-CD2 3.96Å
832K86.1Confident87.2Confident139 Ų13951.5 Ų51.560%0.60430%0.304SS*.EExtended strand (participates in β ladder)trans-136.2154.5-173.4-70.6169.5-175160.10111.1S788 E830S788-K832 CarbonylContact O-C 3.55Å; E830-K832 HydrophobicContact CG-CG 4.47Å; E830-K832 WeakPolarHBondContact OE2-CE 3.39Å; E830-K832 IonicContact OE2-NZ 2.73Å; E830-K832 PolarHBondContact OE2-NZ 3.49Å
833G82.2Confident87.2Confident70 Ų7052.3 Ų52.372%0.72231%0.306SS*.SBendtrans79.622.3-178.600000113S788S788-G833 PolarHBondContact O-N 2.88Å
834L85.7Confident87.4Confident6 Ų648.7 Ų48.73%0.03128%0.281CS..PPolyproline II helixtrans-72.5152.6174.3-55.5176.2000110.3S788 V790 W811 M831 Y840 T863S788-L834 VanDerWaalsContact CA-O 3.27Å; S788-L834 WeakPolarHBondContact CA-O 3.47Å; S788-L834 VanDerWaalsContact CB-O 3.23Å; S788-L834 WeakPolarHBondContact CB-O 3.38Å; S788-L834 PolarHBondContact O-N 2.9Å; S788-L834 VanDerWaalsContact O-N 3.11Å; V790-L834 HydrophobicContact CB-CD1 3.83Å; V790-L834 HydrophobicContact CG2-CD1 3.63Å; W811-L834 HydrophobicContact CE3-CD2 3.85Å; W811-L834 HydrophobicContact CH2-CD2 4.02Å; W811-L834 HydrophobicContact CZ3-CD2 3.32Å; M831-L834 HydrophobicContact CB-CD1 4.27Å; M831-L834 HydrophobicContact CE-CD1 4.4Å; M831-L834 HydrophobicContact CE-CD2 3.96Å; L834-Y840 HydrophobicContact CB-CD2 4.49Å; L834-Y840 HydrophobicContact CB-CE2 3.78Å; L834-Y840 HydrophobicContact CD1-CD2 4.43Å; L834-Y840 HydrophobicContact CD2-CD2 4.26Å; L834-Y840 HydrophobicContact CD2-CE1 4.3Å; L834-Y840 HydrophobicContact CD2-CE2 4Å; L834-Y840 HydrophobicContact CD2-CG 4.49Å; L834-Y840 HydrophobicContact CG-CE2 4.31Å; L834-T863 HydrophobicContact CB-CG2 3.85Å; L834-T863 HydrophobicContact CD1-CG2 3.96Å
835L81.8Confident87.5Confident108 Ų10849.2 Ų49.257%0.56528%0.281SS*.PPolyproline II helixtrans-81.1139.4172.3-62175.3000109.6T838 Y840 T863L835-T838 WeakPolarHBondContact CB-OG1 3.22Å; L835-T838 WeakPolarHBondContact O-CB 3.1Å; L835-Y840 WeakPolarHBondContact CB-OH 3.17Å; L835-Y840 PolarHBondContact N-OH 3.01Å; L835-T863 WeakPolarHBondContact O-CB 3.48Å; L835-T863 PolarHBondContact O-OG1 2.88Å
836P80.9Confident87.6Confident19 Ų1944.3 Ų44.312%0.12325%0.25CC..THydrogen-bonded Turntrans-58156.7172.1-27.636.9000113.8P787 T838 T863 H924P787-P836 HydrophobicContact CB-CB 4.01Å; P787-P836 HydrophobicContact CB-CG 3.93Å; P787-P836 WeakPolarHBondContact O-CA 3.5Å; P836-T838 PolarHBondContact O-N 2.84Å; P836-T838 PolarHBondContact O-OG1 3.25Å; P836-T863 VanDerWaalsContact C-OG1 3.3Å; P836-H924 HydrophobicContact CB-CB 3.82Å; P836-H924 HydrophobicContact CG-CB 4.26Å
837A78.9Confident87.7Confident21 Ų2143.9 Ų43.917%0.17424%0.242CC..THydrogen-bonded Turntrans53.73.6179.600000116.7Q862 T863 P864 C865 H924A837-Q862 PolarHBondContact O-NE2 3.47Å; A837-T863 WeakPolarHBondContact CA-O 3.4Å; A837-T863 PolarHBondContact N-O 2.81Å; A837-T863 PolarHBondContact N-OG1 2.93Å; A837-T863 VanDerWaalsContact N-OG1 3.12Å; A837-P864 PolarHBondContact N-O 2.81Å; A837-C865 HydrophobicContact CB-CB 4.47Å; A837-H924 WeakPolarHBondContact CB-O 3.4Å
838T81.4Confident87.6Confident42 Ų4240 Ų4026%0.25822%0.222SC..  trans-90.7138.1-169-60.10000110.4L835 P836 Y840 T863L835-T838 WeakPolarHBondContact CB-OG1 3.22Å; L835-T838 WeakPolarHBondContact O-CB 3.1Å; P836-T838 PolarHBondContact O-N 2.84Å; P836-T838 PolarHBondContact O-OG1 3.25Å; T838-Y840 HydrophobicContact CG2-CD2 4.35Å; T838-Y840 HydrophobicContact CG2-CE1 4.06Å; T838-Y840 HydrophobicContact CG2-CE2 3.71Å; T838-Y840 WeakPolarHBondContact O-CD2 3.38Å; T838-T863 PolarHBondContact N-OG1 2.89Å; T838-T863 PolarHBondContact O-N 2.85Å; T838-T863 PolarHBondContact O-OG1 2.86Å
839N86.3Confident87.4Confident72 Ų7242.4 Ų42.439%0.38523%0.233SC..EExtended strand (participates in β ladder)trans-77.8127174.5-76.8-23.5000110.5L860 Q862N839-L860 HydrophobicContact CB-CD1 3.68Å; N839-Q862 WeakPolarHBondContact OD1-CB 3.35Å; N839-Q862 WeakPolarHBondContact OD1-CG 3.45Å
840Y88.4Confident86.9Confident14 Ų1442 Ų426%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-125.5128.4173.4-66.5-72.6000110.1W811 G812 A813 L834 L835 T838 C861 T863W811-Y840 AromaticContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CE1 4.09Å; W811-Y840 HydrophobicContact CE3-CG 4.45Å; W811-Y840 AromaticContact CZ3-CD1 3.69Å; W811-Y840 HydrophobicContact CZ3-CD1 3.69Å; W811-Y840 AromaticContact CZ3-CE1 3.52Å; W811-Y840 HydrophobicContact CZ3-CE1 3.52Å; G812-Y840 WeakPolarHBondContact O-CA 3.43Å; A813-Y840 HydrophobicContact CB-CD1 4.38Å; A813-Y840 HydrophobicContact CB-CE1 4.24Å; L834-Y840 HydrophobicContact CB-CD2 4.49Å; L834-Y840 HydrophobicContact CB-CE2 3.78Å; L834-Y840 HydrophobicContact CD1-CD2 4.43Å; L834-Y840 HydrophobicContact CD2-CD2 4.26Å; L834-Y840 HydrophobicContact CD2-CE1 4.3Å; L834-Y840 HydrophobicContact CD2-CE2 4Å; L834-Y840 HydrophobicContact CD2-CG 4.49Å; L834-Y840 HydrophobicContact CG-CE2 4.31Å; L835-Y840 WeakPolarHBondContact CB-OH 3.17Å; L835-Y840 PolarHBondContact N-OH 3.01Å; T838-Y840 HydrophobicContact CG2-CD2 4.35Å; T838-Y840 HydrophobicContact CG2-CE1 4.06Å; T838-Y840 HydrophobicContact CG2-CE2 3.71Å; T838-Y840 WeakPolarHBondContact O-CD2 3.38Å; Y840-C861 PolarHBondContact N-O 2.94Å; Y840-C861 PolarHBondContact O-N 2.69Å; Y840-C861 PolarHBondContact O-SG 2.74Å; Y840-T863 HydrophobicContact CD2-CG2 4.12Å; Y840-T863 HydrophobicContact CE2-CG2 4.03Å
841F90.6Very high86.6Confident50 Ų5040.4 Ų40.422%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-87.5142168.2-62-93.4000108.8W811 G812 E815 M818 A858 V859 L860W811-F841 CarbonylContact C-O 3.49Å; W811-F841 WeakPolarHBondContact CA-O 3.4Å; G812-F841 PolarHBondContact N-O 2.8Å; G812-F841 PolarHBondContact O-N 2.82Å; E815-F841 HydrophobicContact CB-CG 4.48Å; M818-F841 HydrophobicContact CE-CB 3.67Å; M818-F841 HydrophobicContact SD-CB 4.3Å; F841-A858 HydrophobicContact CD1-CB 4.44Å; F841-V859 CarbonylContact C-O 3.54Å; F841-V859 WeakPolarHBondContact CA-O 3.48Å; F841-L860 HydrophobicContact CD1-CB 4.36Å; F841-L860 HydrophobicContact CE1-CB 4.24Å; F841-L860 HydrophobicContact CE1-CD1 4.34Å; F841-L860 HydrophobicContact CE2-CD1 4.42Å; F841-L860 HydrophobicContact CZ-CD1 4.23Å
842C90.4Very high86.7Confident0 Ų043.3 Ų43.30%026%0.257CS..EExtended strand (participates in β ladder)trans-138.4144.5171.265.40000111.6T782 L809 E810 V859T782-C842 WeakPolarHBondContact CG2-SG 3.27Å; L809-C842 HydrophobicContact CD1-CB 4.44Å; E810-C842 CarbonylContact O-C 3.53Å; E810-C842 VanDerWaalsContact O-CA 3.25Å; E810-C842 WeakPolarHBondContact O-CA 3.42Å; C842-V859 PolarHBondContact N-O 2.85Å; C842-V859 PolarHBondContact O-N 2.83Å; C842-V859 PolarHBondContact SG-O 3.04Å
843R92Very high86.8Confident65 Ų6536.8 Ų36.825%0.24523%0.23CC..EExtended strand (participates in β ladder)trans-147.4147.2178.665.7-176.2-174-167-1.6111.1E810 M818 F855 S856E810-R843 HydrophobicContact CB-CG 4.04Å; E810-R843 PolarHBondContact N-O 2.87Å; E810-R843 PolarHBondContact O-N 2.93Å; E810-R843 IonicContact OE2-CZ 2.74Å; E810-R843 IonicContact OE2-NE 3.2Å; E810-R843 PolarHBondContact OE2-NE 3.49Å; E810-R843 IonicContact OE2-NH2 2.68Å; E810-R843 PolarHBondContact OE2-NH2 2.82Å; M818-R843 HydrophobicContact CE-CG 4.36Å; M818-R843 HydrophobicContact SD-CG 3.76Å; R843-F855 HydrophobicContact CB-CB 4.42Å; R843-F855 HydrophobicContact CB-CD1 4.42Å; R843-F855 HydrophobicContact CG-CB 4.22Å; R843-F855 HydrophobicContact CG-CD1 3.68Å; R843-F855 HydrophobicContact CG-CE1 4.27Å; R843-F855 HydrophobicContact CG-CG 4.1Å; R843-S856 WeakPolarHBondContact CA-OG 3.47Å
844V92.9Very high87.1Confident0 Ų037 Ų370%022%0.219CC..EExtended strand (participates in β ladder)trans-125.7137.6-176.4650000111.4C777 P780 W794 F807 R808 L809 S856C777-V844 HydrophobicContact CB-CG1 3.77Å; P780-V844 HydrophobicContact CB-CG1 4.21Å; P780-V844 HydrophobicContact CG-CG1 4.34Å; W794-V844 HydrophobicContact CB-CG1 3.91Å; W794-V844 HydrophobicContact CD2-CB 4.47Å; W794-V844 HydrophobicContact CD2-CG1 4.48Å; W794-V844 HydrophobicContact CD2-CG2 3.91Å; W794-V844 HydrophobicContact CE3-CG2 4.42Å; W794-V844 HydrophobicContact CG-CG1 4.09Å; W794-V844 HydrophobicContact CG-CG2 4.05Å; W794-V844 HydrophobicContact CZ2-CG2 4.47Å; F807-V844 HydrophobicContact CB-CG2 4.15Å; F807-V844 HydrophobicContact CD1-CG2 4.26Å; R808-V844 WeakPolarHBondContact O-CA 3.4Å; L809-V844 HydrophobicContact CD1-CB 4.14Å; V844-S856 PolarHBondContact N-OG 2.86Å; V844-S856 PolarHBondContact O-N 2.94Å
845Q92.3Very high87.3Confident21 Ų2139 Ų3910%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-118.9147.1170.160.5-176.1-1300110.6F807 R808 V852 G853 F855F807-Q845 CarbonylContact C-O 3.52Å; F807-Q845 WeakPolarHBondContact CA-O 3.43Å; R808-Q845 HydrophobicContact CB-CG 3.82Å; R808-Q845 PolarHBondContact N-O 2.97Å; R808-Q845 PolarHBondContact O-N 2.94Å; Q845-V852 HydrophobicContact CG-CG1 4.3Å; Q845-G853 PolarHBondContact OE1-O 2.93Å; Q845-F855 HydrophobicContact CB-CD1 3.7Å; Q845-F855 HydrophobicContact CB-CE1 4.06Å; Q845-F855 HydrophobicContact CB-CG 4.09Å; Q845-F855 HydrophobicContact CG-CD1 3.75Å; Q845-F855 HydrophobicContact CG-CE1 3.55Å; Q845-F855 HydrophobicContact CG-CG 4.43Å; Q845-F855 HydrophobicContact CG-CZ 4.07Å
846A91.1Very high87.7Confident0 Ų034.2 Ų34.20%020%0.202CC..EExtended strand (participates in β ladder)trans-100.8147.1174.800000110.9P774 P797 V804 F807 G853P774-A846 HydrophobicContact CB-CB 3.7Å; P774-A846 HydrophobicContact CG-CB 3.93Å; P797-A846 HydrophobicContact CG-CB 3.64Å; V804-A846 HydrophobicContact CG1-CB 3.83Å; V804-A846 HydrophobicContact CG2-CB 4.19Å; F807-A846 HydrophobicContact CD1-CB 3.92Å; F807-A846 HydrophobicContact CE1-CB 3.84Å; A846-G853 PolarHBondContact O-N 2.87Å
847V90Very high88.1Confident13 Ų1339.2 Ų39.28%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-125.8140.3179.5-168.90000109.3V804 T805 E806 V852V804-V847 WeakPolarHBondContact CG1-O 3.41Å; T805-V847 PolarHBondContact N-O 3.19Å; T805-V847 PolarHBondContact OG1-O 3.06Å; E806-V847 HydrophobicContact CB-CB 4.14Å; E806-V847 HydrophobicContact CB-CG2 4.44Å; E806-V847 PolarHBondContact N-O 2.83Å; E806-V847 PolarHBondContact O-N 3.06Å; V847-V852 HydrophobicContact CG1-CG2 3.92Å; V847-V852 HydrophobicContact CG2-CB 4.49Å; V847-V852 HydrophobicContact CG2-CG1 4.29Å; V847-V852 HydrophobicContact CG2-CG2 4.07Å
848N88.9Confident88.6Confident7 Ų739.9 Ų39.94%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-134.5-178.7168.570.713.4000110.9G772 P774 A802 P803 A850 G851G772-N848 PolarHBondContact O-ND2 3.24Å; G772-N848 PolarHBondContact O-OD1 3.48Å; P774-N848 HydrophobicContact CG-CB 4Å; A802-N848 HydrophobicContact CB-CB 4.37Å; A802-N848 PolarHBondContact O-ND2 2.97Å; P803-N848 WeakPolarHBondContact O-CB 3.26Å; N848-A850 PolarHBondContact O-N 3.02Å; N848-A850 WeakPolarHBondContact OD1-CA 3.5Å; N848-A850 WeakPolarHBondContact OD1-CB 3.23Å; N848-A850 PolarHBondContact OD1-N 2.77Å; N848-G851 PolarHBondContact N-O 2.93Å; N848-G851 PolarHBondContact O-N 2.9Å; N848-G851 PolarHBondContact OD1-N 2.92Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; N848-G851 PolarHBondContact OD1-O 2.91Å
849V85.5Confident89Confident120 Ų12039.4 Ų39.473%0.72723%0.226SC*.THydrogen-bonded Turntrans-63.4-9.7179.4-61.20000115A802 T805A802-V849 HydrophobicContact CB-CG2 3.79Å; T805-V849 HydrophobicContact CG2-CG1 4.39Å
850A82.6Confident89.1Confident46 Ų4640.3 Ų40.338%0.3823%0.231SC..THydrogen-bonded Turntrans-100.5-12.417500000113.3P771 N848P771-A850 HydrophobicContact CB-CB 3.99Å; P771-A850 HydrophobicContact CG-CB 4.16Å; P771-A850 WeakPolarHBondContact O-CB 3.28Å; N848-A850 PolarHBondContact O-N 3.02Å; N848-A850 WeakPolarHBondContact OD1-CA 3.5Å; N848-A850 WeakPolarHBondContact OD1-CB 3.23Å; N848-A850 PolarHBondContact OD1-N 2.77Å
851G84.5Confident88.9Confident27 Ų2739.9 Ų39.928%0.27823%0.23SC..EExtended strand (participates in β ladder)trans151.1-175172.900000115N848N848-G851 PolarHBondContact N-O 2.93Å; N848-G851 PolarHBondContact O-N 2.9Å; N848-G851 PolarHBondContact OD1-N 2.92Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; N848-G851 PolarHBondContact OD1-O 2.91Å
852V88.3Confident88.6Confident69 Ų6942.9 Ų42.942%0.41824%0.244SC..EExtended strand (participates in β ladder)trans-88.9126.4173.1-179.40000108.4Q845 V847Q845-V852 HydrophobicContact CG-CG1 4.3Å; V847-V852 HydrophobicContact CG1-CG2 3.92Å; V847-V852 HydrophobicContact CG2-CB 4.49Å; V847-V852 HydrophobicContact CG2-CG1 4.29Å; V847-V852 HydrophobicContact CG2-CG2 4.07Å
853G87.1Confident88.3Confident3 Ų343 Ų433%0.03125%0.245CC..PPolyproline II helixtrans-79.7166171.900000111.6P774 Q845 A846P774-G853 WeakPolarHBondContact O-CA 3.37Å; Q845-G853 PolarHBondContact OE1-O 2.93Å; A846-G853 PolarHBondContact O-N 2.87Å
854P89.5Confident87.8Confident75 Ų7542.6 Ų42.649%0.48725%0.251SS..PPolyproline II helixtrans-67.6152.1177.828.7-33.4000111.8Q776Q776-P854 HydrophobicContact CB-CG 3.87Å; Q776-P854 HydrophobicContact CG-CB 4.45Å; Q776-P854 HydrophobicContact CG-CG 4.08Å
855F89Confident87.1Confident48 Ų4844.9 Ų44.921%0.21127%0.267CS..PPolyproline II helixtrans-60145.2169.5-69-78.7000111.8Q776 E810 R843 Q845Q776-F855 WeakPolarHBondContact CG-O 3.43Å; Q776-F855 PolarHBondContact NE2-O 3.11Å; E810-F855 HydrophobicContact CB-CE1 4.32Å; E810-F855 VanDerWaalsContact CD-CE1 3.47Å; E810-F855 HydrophobicContact CG-CE1 3.79Å; E810-F855 HydrophobicContact CG-CZ 4.05Å; E810-F855 VanDerWaalsContact OE1-CZ 3.26Å; E810-F855 WeakPolarHBondContact OE1-CZ 3.49Å; E810-F855 WeakPolarHBondContact OE2-CE1 3.42Å; E810-F855 VanDerWaalsContact OE2-CZ 3.22Å; E810-F855 WeakPolarHBondContact OE2-CZ 3.3Å; R843-F855 HydrophobicContact CB-CB 4.42Å; R843-F855 HydrophobicContact CB-CD1 4.42Å; R843-F855 HydrophobicContact CG-CB 4.22Å; R843-F855 HydrophobicContact CG-CD1 3.68Å; R843-F855 HydrophobicContact CG-CE1 4.27Å; R843-F855 HydrophobicContact CG-CG 4.1Å; Q845-F855 HydrophobicContact CB-CD1 3.7Å; Q845-F855 HydrophobicContact CB-CE1 4.06Å; Q845-F855 HydrophobicContact CB-CG 4.09Å; Q845-F855 HydrophobicContact CG-CD1 3.75Å; Q845-F855 HydrophobicContact CG-CE1 3.55Å; Q845-F855 HydrophobicContact CG-CG 4.43Å; Q845-F855 HydrophobicContact CG-CZ 4.07Å
856S91.3Very high86.7Confident6 Ų645.4 Ų45.44%0.04227%0.272CS..PPolyproline II helixtrans-52.7160.2162.170.80000111.5C777 P780 R843 V844C777-S856 WeakPolarHBondContact O-CA 3.45Å; C777-S856 WeakPolarHBondContact O-CB 3.23Å; P780-S856 WeakPolarHBondContact CD-OG 3.13Å; R843-S856 WeakPolarHBondContact CA-OG 3.47Å; V844-S856 PolarHBondContact N-OG 2.86Å; V844-S856 PolarHBondContact O-N 2.94Å
857E89.6Confident86.3Confident125 Ų12547.7 Ų47.758%0.58429%0.286SS*.PPolyproline II helixtrans-49143.1157.8-57.2-52.2116.700110.3Q776 V859Q776-E857 PolarHBondContact NE2-OE1 2.87Å; E857-V859 PolarHBondContact O-N 3.3Å
858A88.3Confident86Confident35 Ų3547.1 Ų47.129%0.28928%0.283SS..PPolyproline II helixtrans-76.8122.1-178.900000110.5M818 F841M818-A858 HydrophobicContact CE-CB 3.92Å; F841-A858 HydrophobicContact CD1-CB 4.44Å
859V90.1Very high85.7Confident31 Ų3148.1 Ų48.119%0.18829%0.292CS..EExtended strand (participates in β ladder)trans-94.1118.2175.81720000109.4A779 P780 T782 F841 C842 E857A779-V859 HydrophobicContact CB-CG2 3.63Å; P780-V859 HydrophobicContact CG-CB 4.32Å; P780-V859 HydrophobicContact CG-CG2 4.2Å; P780-V859 WeakPolarHBondContact O-CG2 3.42Å; T782-V859 HydrophobicContact CG2-CG1 3.84Å; F841-V859 CarbonylContact C-O 3.54Å; F841-V859 WeakPolarHBondContact CA-O 3.48Å; C842-V859 PolarHBondContact N-O 2.85Å; C842-V859 PolarHBondContact O-N 2.83Å; C842-V859 PolarHBondContact SG-O 3.04Å; E857-V859 PolarHBondContact O-N 3.3Å
860L88.5Confident85.7Confident92 Ų9244.7 Ų44.748%0.48228%0.277SS..EExtended strand (participates in β ladder)trans-73.4121.2166.317461.6000109.5N839 F841N839-L860 HydrophobicContact CB-CD1 3.68Å; F841-L860 HydrophobicContact CD1-CB 4.36Å; F841-L860 HydrophobicContact CE1-CB 4.24Å; F841-L860 HydrophobicContact CE1-CD1 4.34Å; F841-L860 HydrophobicContact CE2-CD1 4.42Å; F841-L860 HydrophobicContact CZ-CD1 4.23Å
861C84.7Confident85.8Confident5 Ų542.8 Ų42.83%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-119.9137.2164.563.80000110.2T782 Y840T782-C861 HydrophobicContact CG2-CB 3.87Å; T782-C861 WeakPolarHBondContact OG1-CB 3.29Å; Y840-C861 PolarHBondContact N-O 2.94Å; Y840-C861 PolarHBondContact O-N 2.69Å; Y840-C861 PolarHBondContact O-SG 2.74Å
862Q83.6Confident85.6Confident112 Ų11244.1 Ų44.152%0.52327%0.265SS..EExtended strand (participates in β ladder)trans-104.4127.1173.8-165.917613.400108.8C784 A837 N839C784-Q862 PolarHBondContact SG-O 2.76Å; C784-Q862 VanDerWaalsContact SG-O 3.32Å; A837-Q862 PolarHBondContact O-NE2 3.47Å; N839-Q862 WeakPolarHBondContact OD1-CB 3.35Å; N839-Q862 WeakPolarHBondContact OD1-CG 3.45Å
863T85.4Confident85.2Confident2 Ų245.3 Ų45.31%0.01227%0.269CS..PPolyproline II helixtrans-65139.5168.645.90000109.4P787 V790 L834 L835 P836 A837 T838 Y840P787-T863 WeakPolarHBondContact O-CB 3.47Å; V790-T863 HydrophobicContact CG2-CG2 4.06Å; L834-T863 HydrophobicContact CB-CG2 3.85Å; L834-T863 HydrophobicContact CD1-CG2 3.96Å; L835-T863 WeakPolarHBondContact O-CB 3.48Å; L835-T863 PolarHBondContact O-OG1 2.88Å; P836-T863 VanDerWaalsContact C-OG1 3.3Å; A837-T863 WeakPolarHBondContact CA-O 3.4Å; A837-T863 PolarHBondContact N-O 2.81Å; A837-T863 PolarHBondContact N-OG1 2.93Å; A837-T863 VanDerWaalsContact N-OG1 3.12Å; T838-T863 PolarHBondContact N-OG1 2.89Å; T838-T863 PolarHBondContact O-N 2.85Å; T838-T863 PolarHBondContact O-OG1 2.86Å; Y840-T863 HydrophobicContact CD2-CG2 4.12Å; Y840-T863 HydrophobicContact CE2-CG2 4.03Å
864P80.1Confident85Confident57 Ų5747.1 Ų47.137%0.3728%0.278SS..PPolyproline II helixtrans-62.7154.9175.325.3-32.2000110.9C784 P787 A837C784-P864 HydrophobicContact CB-CG 4.48Å; P787-P864 WeakPolarHBondContact CB-O 3.33Å; P787-P864 HydrophobicContact CG-CG 4.17Å; A837-P864 PolarHBondContact N-O 2.81Å
865C80.1Confident84.6Confident49 Ų4949.2 Ų49.233%0.33128%0.277SS..PPolyproline II helixtrans-64162.7175.7-52.80000111.6A837 H924 G925 L970A837-C865 HydrophobicContact CB-CB 4.47Å; C865-H924 VanDerWaalsContact CA-O 3.3Å; C865-H924 WeakPolarHBondContact CA-O 3.31Å; C865-H924 VanDerWaalsContact CB-O 3.31Å; C865-H924 WeakPolarHBondContact CB-O 3.41Å; C865-G925 PolarHBondContact SG-O 2.87Å; C865-L970 HydrophobicContact CB-CD1 3.66Å
866S83.3Confident84.2Confident31 Ų3151.4 Ų51.422%0.21729%0.29CS..  trans-135.7172.4-176.5-169.40000112H924 N968S866-H924 PolarHBondContact N-O 2.68Å; S866-N968 PolarHBondContact O-ND2 3.32Å
867V83.1Confident83.6Confident48 Ų4852.1 Ų52.129%0.29129%0.293SS..SBendtrans-61.7153.7164.6-59.30000110.6H924 L970V867-H924 PolarHBondContact O-ND1 3.18Å; V867-L970 HydrophobicContact CG1-CB 4.42Å
868P83.7Confident82.6Confident2 Ų252.8 Ų52.81%0.01329%0.294CS..PPolyproline II helixtrans-63.8163.2-172.9-23.536.1000114C922 I928 A966 N968 G973 P974P868-C922 WeakPolarHBondContact CA-O 3.36Å; P868-I928 HydrophobicContact CB-CG1 4.32Å; P868-I928 HydrophobicContact CG-CG1 4.14Å; P868-A966 HydrophobicContact CB-CB 3.83Å; P868-A966 HydrophobicContact CG-CB 4.17Å; P868-N968 HydrophobicContact CG-CB 3.82Å; P868-G973 WeakPolarHBondContact O-CA 3.35Å; P868-P974 WeakPolarHBondContact O-CD 3.18Å
869A82.8Confident81.5Confident27 Ų2755.5 Ų55.522%0.22330%0.301CS..PPolyproline II helixtrans-68.8168.217100000112.6P921 C922A869-P921 HydrophobicContact CB-CB 4.15Å; A869-P921 WeakPolarHBondContact O-CB 3.42Å; A869-C922 HydrophobicContact CB-CB 4.07Å; A869-C922 PolarHBondContact N-O 3.47Å
870A84.1Confident80.2Confident49 Ų4957.8 Ų57.841%0.40532%0.318SS..PPolyproline II helixtrans-63135.7174.400000111.2P974A870-P974 HydrophobicContact CB-CG 3.97Å
871V84.4Confident79Confident5 Ų557.2 Ų57.23%0.0331%0.313CS..PPolyproline II helixtrans-64.1134.7171.8176.70000109.5I874 W918 P921 Y931 I964 A966 S976V871-I874 HydrophobicContact CG1-CD1 4.47Å; V871-I874 HydrophobicContact CG1-CG1 4.46Å; V871-W918 HydrophobicContact CG1-CB 3.64Å; V871-W918 VanDerWaalsContact CG1-CD1 3.48Å; V871-W918 HydrophobicContact CG1-CG 3.63Å; V871-P921 HydrophobicContact CG2-CG 3.96Å; V871-Y931 HydrophobicContact CG2-CD1 3.87Å; V871-Y931 HydrophobicContact CG2-CE1 3.97Å; V871-I964 HydrophobicContact CB-CB 4.4Å; V871-I964 HydrophobicContact CG1-CB 4.27Å; V871-I964 HydrophobicContact CG1-CG2 4.37Å; V871-I964 HydrophobicContact CG2-CG2 4.15Å; V871-A966 HydrophobicContact CG2-CB 4.08Å; V871-S976 WeakPolarHBondContact O-CB 3.02Å
872S81.2Confident78Confident55 Ų5557.6 Ų57.639%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-123.6168.7-176.271.80000111.8D919S872-D919 PolarHBondContact O-N 2.89Å
873N80.1Confident76.9Confident94 Ų9458.3 Ų58.350%0.50332%0.318SS..EExtended strand (participates in β ladder)trans46.272.9172-56.9-19.5000114.3Y875 W918 D919N873-Y875 HydrophobicContact CB-CE2 4.19Å; N873-Y875 VanDerWaalsContact O-CD2 3.3Å; N873-Y875 WeakPolarHBondContact O-CD2 3.45Å; N873-Y875 WeakPolarHBondContact O-CE2 3.48Å; N873-W918 WeakPolarHBondContact O-CA 3.42Å; N873-D919 HydrophobicContact CB-CB 4.33Å; N873-D919 WeakPolarHBondContact CB-OD2 3.18Å; N873-D919 PolarHBondContact ND2-OD2 2.98Å
874I82.2Confident75.7Confident42 Ų4267.1 Ų67.122%0.21535%0.351CS..EExtended strand (participates in β ladder)trans-94121.7-177.9-46179.2000110.4V871 S917 W918 I964 S976 F979V871-I874 HydrophobicContact CG1-CD1 4.47Å; V871-I874 HydrophobicContact CG1-CG1 4.46Å; I874-S917 CarbonylContact C-O 3.58Å; I874-S917 WeakPolarHBondContact CA-O 3.48Å; I874-S917 VanDerWaalsContact CG2-O 3.31Å; I874-S917 WeakPolarHBondContact CG2-O 3.44Å; I874-W918 HydrophobicContact CG1-CB 4.08Å; I874-W918 HydrophobicContact CG2-CB 4.45Å; I874-I964 HydrophobicContact CD1-CB 4.38Å; I874-I964 HydrophobicContact CD1-CD1 3.96Å; I874-I964 HydrophobicContact CD1-CG1 4.01Å; I874-I964 HydrophobicContact CG2-CD1 4.22Å; I874-S976 VanDerWaalsContact CD1-OG 3.32Å; I874-S976 WeakPolarHBondContact CD1-OG 3.44Å; I874-F979 HydrophobicContact CB-CD1 4.36Å; I874-F979 HydrophobicContact CB-CE1 3.98Å; I874-F979 HydrophobicContact CB-CZ 4.37Å; I874-F979 HydrophobicContact CD1-CD1 4.12Å; I874-F979 HydrophobicContact CD1-CE1 3.73Å; I874-F979 HydrophobicContact CG1-CE1 4.45Å; I874-F979 HydrophobicContact CG2-CD1 4.33Å; I874-F979 HydrophobicContact CG2-CE1 3.51Å; I874-F979 HydrophobicContact CG2-CE2 4.38Å; I874-F979 HydrophobicContact CG2-CZ 3.52Å
875Y81.4Confident74.6Confident118 Ų11868 Ų6846%0.46335%0.349SS..EExtended strand (participates in β ladder)trans-106.5159.2-176.8-46.1-77.8000111.9N873 V916 S917 D919N873-Y875 HydrophobicContact CB-CE2 4.19Å; N873-Y875 VanDerWaalsContact O-CD2 3.3Å; N873-Y875 WeakPolarHBondContact O-CD2 3.45Å; N873-Y875 WeakPolarHBondContact O-CE2 3.48Å; Y875-V916 WeakPolarHBondContact O-CA 3.47Å; Y875-S917 PolarHBondContact N-O 3.21Å; Y875-S917 PolarHBondContact O-N 3.49Å; Y875-D919 WeakPolarHBondContact CE2-OD1 3.47Å; Y875-D919 PolarHBondContact OH-OD2 2.87Å
876I79.8Confident73.4Confident94 Ų9469.9 Ų69.948%0.48235%0.353SS..EExtended strand (participates in β ladder)trans-109.5129177.2-56161.5000108.5L981I876-L981 HydrophobicContact CD1-CD1 3.77Å; I876-L981 HydrophobicContact CD1-CD2 4.29Å; I876-L981 HydrophobicContact CG1-CD1 4.43Å; I876-L981 HydrophobicContact CG1-CD2 4.07Å; I876-L981 HydrophobicContact CG2-CD1 4.34Å; I876-L981 HydrophobicContact CG2-CD2 3.91Å
877L78.9Confident71.7Confident21 Ų2172.1 Ų72.111%0.1137%0.368CS..  trans-75.9139.5177.9-58.7177.5000110.9E881 F885 G915L877-E881 HydrophobicContact CB-CB 4.38Å; L877-F885 HydrophobicContact CD1-CD2 4.08Å; L877-F885 HydrophobicContact CD1-CE2 3.72Å; L877-G915 PolarHBondContact N-O 3.41Å
878K70Confident70Confident140 Ų14076.2 Ų76.261%0.60939%0.388SS*.  trans-77.4162.7178.7-65.1168.6-176.2163.70111.4S880 E881 L882K878-S880 PolarHBondContact O-N 2.77Å; K878-E881 HydrophobicContact CB-CG 4.24Å; K878-E881 WeakPolarHBondContact CB-OE2 3.15Å; K878-E881 PolarHBondContact N-OE2 3.27Å; K878-E881 CarbonylContact O-C 3.57Å; K878-E881 WeakPolarHBondContact O-CA 3.34Å; K878-E881 WeakPolarHBondContact O-CB 3.4Å; K878-E881 PolarHBondContact O-N 2.65Å; K878-L882 PolarHBondContact O-N 2.9Å
879E64.3Low68.2Low92 Ų9279.9 Ų79.943%0.4342%0.419SS..Hα-helixtrans-58.3-35.4178.7-160.5159-17000112.6E881 Q883 P910 K984E879-E881 VanDerWaalsContact C-N 3.29Å; E879-E881 PolarHBondContact O-N 2.91Å; E879-Q883 WeakPolarHBondContact O-CG 3.19Å; E879-Q883 PolarHBondContact O-N 2.87Å; E879-P910 WeakPolarHBondContact OE1-CG 3.15Å; E879-K984 IonicContact OE1-NZ 2.66Å; E879-K984 PolarHBondContact OE1-NZ 2.73Å; E879-K984 IonicContact OE2-NZ 2.59Å; E879-K984 PolarHBondContact OE2-NZ 2.82Å
880S62.8Low66.2Low79 Ų7985.3 Ų85.355%0.55244%0.444SS*.Hα-helixtrans-73.8-12.1172.458.50000115K878 R884K878-S880 PolarHBondContact O-N 2.77Å; S880-R884 WeakPolarHBondContact O-CB 3.4Å
881E63.3Low64.3Low80 Ų8090.8 Ų90.837%0.37446%0.461SS..Hα-helixtrans-100.9-36178.3-63.1169.9145.900110.1L877 K878 E879 Q883 R884 F885L877-E881 HydrophobicContact CB-CB 4.38Å; K878-E881 HydrophobicContact CB-CG 4.24Å; K878-E881 WeakPolarHBondContact CB-OE2 3.15Å; K878-E881 PolarHBondContact N-OE2 3.27Å; K878-E881 CarbonylContact O-C 3.57Å; K878-E881 WeakPolarHBondContact O-CA 3.34Å; K878-E881 WeakPolarHBondContact O-CB 3.4Å; K878-E881 PolarHBondContact O-N 2.65Å; E879-E881 VanDerWaalsContact C-N 3.29Å; E879-E881 PolarHBondContact O-N 2.91Å; E881-Q883 VanDerWaalsContact C-N 3.28Å; E881-Q883 PolarHBondContact O-N 2.96Å; E881-R884 PolarHBondContact O-N 3.4Å; E881-F885 PolarHBondContact O-N 3.08Å
882L63.6Low62.1Low12 Ų1298.3 Ų98.36%0.06350%0.501CS..Hα-helixtrans-55.6-40.3166.9-79.8159.7000112.2K878 R884 I950K878-L882 PolarHBondContact O-N 2.9Å; L882-R884 VanDerWaalsContact C-N 3.31Å; L882-I950 HydrophobicContact CD2-CD1 3.95Å; L882-I950 HydrophobicContact CD2-CG1 4.03Å; L882-I950 HydrophobicContact CD2-CG2 4.03Å
883Q59.6Low60.2Low127 Ų127104.8 Ų104.859%0.59353%0.525SS*.THydrogen-bonded Turntrans-78-11.4174.8-70.3178.5-5.900114.3E879 E881E879-Q883 WeakPolarHBondContact O-CG 3.19Å; E879-Q883 PolarHBondContact O-N 2.87Å; E881-Q883 VanDerWaalsContact C-N 3.28Å; E881-Q883 PolarHBondContact O-N 2.96Å
884R61.1Low58.3Low187 Ų187109.4 Ų109.471%0.70654%0.544SS*.THydrogen-bonded Turntrans-103.5-1.1-177.4-156.1173.5-171172.83.2112.8S880 E881 L882 E886 S887S880-R884 WeakPolarHBondContact O-CB 3.4Å; E881-R884 PolarHBondContact O-N 3.4Å; L882-R884 VanDerWaalsContact C-N 3.31Å; R884-E886 VanDerWaalsContact C-N 3.26Å; R884-E886 PolarHBondContact O-N 3.13Å; R884-S887 PolarHBondContact O-N 3.46Å; R884-S887 PolarHBondContact O-OG 3.02Å
885F57.5Low56.1Low77 Ų77116.5 Ų116.534%0.33858%0.576SS.*THydrogen-bonded Turntrans-75.8-12.2-177-136.6-84.1000113.4L877 E881 K948 I950L877-F885 HydrophobicContact CD1-CD2 4.08Å; L877-F885 HydrophobicContact CD1-CE2 3.72Å; E881-F885 PolarHBondContact O-N 3.08Å; F885-K948 HydrophobicContact CE2-CB 3.96Å; F885-K948 HydrophobicContact CE2-CD 4.3Å; F885-K948 HydrophobicContact CZ-CB 3.66Å; F885-I950 HydrophobicContact CB-CD1 3.64Å; F885-I950 HydrophobicContact CD1-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CG1 4.38Å; F885-I950 HydrophobicContact CG-CD1 3.59Å; F885-I950 HydrophobicContact CG-CG1 4.34Å
886E54.7Low54Low88 Ų88120.3 Ų120.341%0.41160%0.598SS.*THydrogen-bonded Turntrans-73.9-32.4172.6-69-178.713700112.1R884 L888 A889 Y908R884-E886 VanDerWaalsContact C-N 3.26Å; R884-E886 PolarHBondContact O-N 3.13Å; E886-L888 PolarHBondContact O-N 3.11Å; E886-A889 PolarHBondContact O-N 3.31Å; E886-Y908 HydrophobicContact CG-CE2 4.48Å
887S47.7Very low52.1Low77 Ų77125.2 Ų125.254%0.53862%0.619SS.*THydrogen-bonded Turntrans-81.226.8-170.5830000115.6R884R884-S887 PolarHBondContact O-N 3.46Å; R884-S887 PolarHBondContact O-OG 3.02Å
888L47.3Very low50.2Low135 Ų135132 Ų13271%0.70766%0.655SS**THydrogen-bonded Turntrans-145.114.2-179.8-79.5174000112.2E886E886-L888 PolarHBondContact O-N 3.11Å
889A45.3Very low48.6Very low79 Ų79134.3 Ų134.365%0.65367%0.668SS**SBendtrans-101.5-9.7173.400000113E886E886-A889 PolarHBondContact O-N 3.31Å
890D41.3Very low47.3Very low140 Ų140135.2 Ų135.275%0.74969%0.691SS**SBendtrans-112.719.8-168-53.3-36000113.2
891E42.9Very low46.2Very low164 Ų164140 Ų14077%0.76671%0.705SS**SBendtrans-102.6-0.6-179.4-70.2-167.9150.500114.6
892D39.5Very low45.3Very low163 Ų163141.7 Ų141.787%0.87273%0.726SS**SBendtrans-116.5-0.1-173.7-85.8-45.6000115.5
893E41.9Very low43.9Very low191 Ų191152.9 Ų152.989%0.89377%0.767SS**  trans-127.397.1176.2-70-171.8164.400111.8
894E38.5Very low43Very low192 Ų192152.2 Ų152.290%0.89777%0.773SS**  trans-83.4162.8161.6-67.9-171.7133.800110.8
895E37.4Very low42.2Very low191 Ų191151.3 Ų151.389%0.89378%0.777SS**  trans73.980.1176.3-55-168.7168.100118.2
896E37.2Very low41.8Very low197 Ų197151.3 Ų151.392%0.92178%0.783SS**  -171.5128.8108.3-101.1-175.8174.800111.4
897E39Very low42Very low197 Ų197152.4 Ų152.492%0.92180%0.796SS**  trans-97.1103174-73.6-170.4127.100111.2
898D39.1Very low42.8Very low163 Ų163151.2 Ų151.287%0.87278%0.78SS**  trans-172.3170.9142.8-110.4-33.4000112.8
899E37Very low43.6Very low190 Ų190146.8 Ų146.889%0.88876%0.76SS**  trans59.157.9174.3-61.3-156.2157.100118.7E901E899-E901 PolarHBondContact O-N 3.19Å
900A37.6Very low44.7Very low110 Ų110144.3 Ų144.391%0.90974%0.738SS**  trans-77.477.3169.300000114.3
901E37.8Very low46.1Very low181 Ų181137.8 Ų137.885%0.84670%0.703SS**  trans-138.1108.7169.1-153.5166.4-134.200115.6E899E899-E901 PolarHBondContact O-N 3.19Å
902S44.5Very low47.5Very low115 Ų115132.4 Ų132.480%0.80468%0.681SS**  trans71.161.1159.272.80000121.1
903R35.9Very low49.4Very low246 Ų246125 Ų12593%0.92864%0.642SS**PPolyproline II helixtrans-81.3137.4149.5-79.2-172.4178178.63.1110.9
904P39.3Very low51.3Low113 Ų113116.6 Ų116.673%0.73460%0.603SS**PPolyproline II helixtrans-80.1132.5179.131.1-33.7000112.1V906P904-V906 PolarHBondContact O-N 2.59Å
905Q44.6Very low53.4Low168 Ų168107.5 Ų107.579%0.78556%0.562SS**PPolyproline II helixtrans-63.4125.9173.7-69.3-176.9-44.500111.4V907Q905-V907 PolarHBondContact O-N 3.45Å; Q905-V907 VanDerWaalsContact O-N 3.16Å
906V49.9Very low55.6Low77 Ų7798.4 Ų98.447%0.46752%0.519SS..  trans-90.978.4-177.9-174.70000109.5P904 Y908P904-V906 PolarHBondContact O-N 2.59Å; V906-Y908 HydrophobicContact CG1-CD1 4.3Å; V906-Y908 HydrophobicContact CG1-CE1 3.76Å; V906-Y908 PolarHBondContact O-N 2.85Å
907V58.8Low57.9Low112 Ų11289.7 Ų89.768%0.67948%0.48SS*.  trans-64.998.3-179.7-176.30000110.7Q905 S909Q905-V907 PolarHBondContact O-N 3.45Å; Q905-V907 VanDerWaalsContact O-N 3.16Å; V907-S909 PolarHBondContact O-N 2.85Å
908Y64Low60.3Low52 Ų5280.5 Ų80.520%0.20444%0.437CS..  trans-63.2102.4178.3-64.7-60.5000111.7E886 V906 Q952E886-Y908 HydrophobicContact CG-CE2 4.48Å; V906-Y908 HydrophobicContact CG1-CD1 4.3Å; V906-Y908 HydrophobicContact CG1-CE1 3.76Å; V906-Y908 PolarHBondContact O-N 2.85Å; Y908-Q952 HydrophobicContact CE1-CG 4.39Å; Y908-Q952 VanDerWaalsContact CE1-NE2 3.32Å
909S64.8Low62.4Low41 Ų4175.3 Ų75.329%0.28741%0.409SS..  trans-76.1132177.7-179.80000111.3V907 S911 T912 C913V907-S909 PolarHBondContact O-N 2.85Å; S909-S911 PolarHBondContact O-N 2.89Å; S909-S911 WeakPolarHBondContact OG-CB 3.46Å; S909-S911 PolarHBondContact OG-N 2.92Å; S909-S911 PolarHBondContact OG-OG 3.32Å; S909-T912 PolarHBondContact O-N 2.83Å; S909-C913 WeakPolarHBondContact O-CB 3.12Å; S909-C913 PolarHBondContact O-N 3.39Å
910P67.6Low64.5Low28 Ų2870.5 Ų70.518%0.18239%0.394CS..THydrogen-bonded Turntrans-65.7-6.3171.433.5-41.9000113.1E879 K984E879-P910 WeakPolarHBondContact OE1-CG 3.15Å; P910-K984 HydrophobicContact CB-CB 4.5Å; P910-K984 HydrophobicContact CB-CD 3.91Å; P910-K984 HydrophobicContact CB-CG 4.05Å; P910-K984 HydrophobicContact CG-CB 4.45Å; P910-K984 HydrophobicContact CG-CD 3.65Å; P910-K984 HydrophobicContact CG-CG 4.21Å; P910-K984 PolarHBondContact O-N 3.37Å
911S71.3Confident66.7Low2 Ų266 Ų661%0.01436%0.355CS..THydrogen-bonded Turntrans-85.3-14.9172.7-44.20000112.6S909 P956 K984 P985S909-S911 PolarHBondContact O-N 2.89Å; S909-S911 WeakPolarHBondContact OG-CB 3.46Å; S909-S911 PolarHBondContact OG-N 2.92Å; S909-S911 PolarHBondContact OG-OG 3.32Å; S911-P956 WeakPolarHBondContact O-CA 3.45Å; S911-K984 WeakPolarHBondContact CA-O 3.14Å; S911-K984 WeakPolarHBondContact CB-O 3.29Å; S911-P985 WeakPolarHBondContact CB-O 3.48Å; S911-P985 PolarHBondContact OG-O 3.11Å
912T72.8Confident68.7Low51 Ų5160.8 Ų60.831%0.31334%0.338SS..THydrogen-bonded Turntrans-134.6-4.6-177.358.80000114.7S909 H953 L954 P956S909-T912 PolarHBondContact O-N 2.83Å; T912-H953 PolarHBondContact O-N 2.88Å; T912-L954 WeakPolarHBondContact CA-O 3.37Å; T912-L954 WeakPolarHBondContact O-CB 3.39Å; T912-L954 PolarHBondContact O-N 3.46Å; T912-P956 HydrophobicContact CG2-CG 4.4Å
913C78.4Confident70.3Confident8 Ų858.3 Ų58.35%0.05432%0.316CS..  trans-132.8148.2-178-57.50000111.5S909 I950 I951S909-C913 WeakPolarHBondContact O-CB 3.12Å; S909-C913 PolarHBondContact O-N 3.39Å; C913-I950 HydrophobicContact CB-CG2 4.2Å; C913-I951 CarbonylContact C-O 3.55Å; C913-I951 VanDerWaalsContact CA-O 3.28Å; C913-I951 WeakPolarHBondContact CA-O 3.32Å
914L81.6Confident72.4Confident14 Ų1448.6 Ų48.67%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-134.6124.7173.1-67.6176.9000110.3I951 L954 Y960 L981 T983L914-I951 PolarHBondContact N-O 3.47Å; L914-I951 PolarHBondContact O-N 2.86Å; L914-L954 HydrophobicContact CB-CD1 3.76Å; L914-L954 HydrophobicContact CD1-CD1 3.58Å; L914-L954 HydrophobicContact CG-CD1 3.49Å; L914-L954 VanDerWaalsContact CG-CD1 3.49Å; L914-Y960 HydrophobicContact CD1-CD2 4.17Å; L914-L981 HydrophobicContact CB-CD2 4.13Å; L914-L981 HydrophobicContact CD1-CB 4.11Å; L914-L981 HydrophobicContact CD1-CD2 3.92Å; L914-L981 HydrophobicContact CD1-CG 3.8Å; L914-L981 HydrophobicContact CD2-CD2 3.85Å; L914-L981 HydrophobicContact CD2-CG 3.81Å; L914-L981 HydrophobicContact CG-CD2 4.18Å; L914-L981 HydrophobicContact CG-CG 4.34Å; L914-T983 HydrophobicContact CD1-CG2 4.22Å; L914-T983 HydrophobicContact CD2-CG2 4.06Å; L914-T983 HydrophobicContact CG-CG2 3.96Å
915G82.2Confident73.8Confident2 Ų245 Ų452%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-96.6132.8178.500000112.5L877L877-G915 PolarHBondContact N-O 3.41Å
916V84.9Confident75.4Confident0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans-132.5151.3-177.3-70.30000111.6Y875 W918 K948 Y949 I951 I962 F979Y875-V916 WeakPolarHBondContact O-CA 3.47Å; V916-W918 HydrophobicContact CG2-CZ3 4.13Å; V916-K948 WeakPolarHBondContact O-CA 3.23Å; V916-Y949 WeakPolarHBondContact CG2-O 3.36Å; V916-Y949 PolarHBondContact N-O 3.47Å; V916-Y949 PolarHBondContact O-N 3.13Å; V916-I951 HydrophobicContact CG2-CD1 4.16Å; V916-I951 HydrophobicContact CG2-CG1 4.32Å; V916-I962 HydrophobicContact CG1-CD1 4.2Å; V916-F979 HydrophobicContact CG1-CE2 4.08Å; V916-F979 HydrophobicContact CG1-CZ 3.87Å
917S85.2Confident76.9Confident14 Ų1442 Ų4210%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-145.8153.9176.9-177.30000110.5I874 Y875 T947 K948I874-S917 CarbonylContact C-O 3.58Å; I874-S917 WeakPolarHBondContact CA-O 3.48Å; I874-S917 VanDerWaalsContact CG2-O 3.31Å; I874-S917 WeakPolarHBondContact CG2-O 3.44Å; Y875-S917 PolarHBondContact N-O 3.21Å; Y875-S917 PolarHBondContact O-N 3.49Å; S917-T947 CarbonylContact C-O 3.54Å; S917-T947 WeakPolarHBondContact CA-O 3.28Å; S917-T947 WeakPolarHBondContact CB-O 3.47Å; S917-T947 PolarHBondContact OG-O 2.74Å; S917-K948 VanDerWaalsContact OG-CG 3.31Å; S917-K948 WeakPolarHBondContact OG-CG 3.34Å
918W89Confident78.1Confident3 Ų337.9 Ų37.91%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-148.5157.6-178.955.391.4000112V871 N873 I874 V916 Y931 I933 V943 V946 T947 I964V871-W918 HydrophobicContact CG1-CB 3.64Å; V871-W918 VanDerWaalsContact CG1-CD1 3.48Å; V871-W918 HydrophobicContact CG1-CG 3.63Å; N873-W918 WeakPolarHBondContact O-CA 3.42Å; I874-W918 HydrophobicContact CG1-CB 4.08Å; I874-W918 HydrophobicContact CG2-CB 4.45Å; V916-W918 HydrophobicContact CG2-CZ3 4.13Å; W918-Y931 AromaticContact CD1-CE1 3.92Å; W918-Y931 HydrophobicContact CZ2-CD1 4.27Å; W918-Y931 AromaticContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CE2 4.35Å; W918-Y931 AromaticContact CZ2-CG 3.79Å; W918-Y931 HydrophobicContact CZ2-CG 3.79Å; W918-Y931 AromaticContact NE1-CD1 3.39Å; W918-Y931 AromaticContact NE1-CD2 3.94Å; W918-Y931 AromaticContact NE1-CE1 3.21Å; W918-Y931 AromaticContact NE1-CE2 3.8Å; W918-Y931 AromaticContact NE1-CG 3.76Å; W918-Y931 AromaticContact NE1-CZ 3.44Å; W918-I933 HydrophobicContact CH2-CD1 3.86Å; W918-I933 HydrophobicContact CH2-CG1 4.44Å; W918-I933 HydrophobicContact CZ3-CD1 4.1Å; W918-V943 HydrophobicContact CH2-CG2 4.21Å; W918-V943 HydrophobicContact CZ2-CG2 4.29Å; W918-V946 WeakPolarHBondContact CZ2-O 3.47Å; W918-T947 PolarHBondContact N-O 3.17Å; W918-T947 WeakPolarHBondContact O-CB 3.39Å; W918-I964 HydrophobicContact CD2-CD1 3.8Å; W918-I964 HydrophobicContact CE3-CD1 3.38Å; W918-I964 HydrophobicContact CG-CD1 4.41Å; W918-I964 HydrophobicContact CH2-CD1 4.44Å; W918-I964 HydrophobicContact CZ3-CD1 3.77Å
919D83.6Confident79Confident55 Ų5539 Ų3929%0.29423%0.234SC..EExtended strand (participates in β ladder)trans-74.7138.1172.6-66.7-17.6000109.9S872 N873 Y875S872-D919 PolarHBondContact O-N 2.89Å; N873-D919 HydrophobicContact CB-CB 4.33Å; N873-D919 WeakPolarHBondContact CB-OD2 3.18Å; N873-D919 PolarHBondContact ND2-OD2 2.98Å; Y875-D919 WeakPolarHBondContact CE2-OD1 3.47Å; Y875-D919 PolarHBondContact OH-OD2 2.87Å
920P81.6Confident80Confident89 Ų8937.7 Ų37.758%0.57823%0.225SC*.PPolyproline II helixtrans-66.9126.6178.527.3-32.5000110.1T947P920-T947 HydrophobicContact CB-CG2 3.99Å; P920-T947 HydrophobicContact CG-CG2 4.29Å
921P83.6Confident81Confident14 Ų1436.6 Ų36.69%0.09122%0.217CC..PPolyproline II helixtrans-74.8167.8178.431.9-34.2000111.6A869 V871 D923 I928 Y931 A966A869-P921 HydrophobicContact CB-CB 4.15Å; A869-P921 WeakPolarHBondContact O-CB 3.42Å; V871-P921 HydrophobicContact CG2-CG 3.96Å; P921-D923 PolarHBondContact O-N 2.88Å; P921-I928 HydrophobicContact CG-CD1 3.74Å; P921-I928 WeakPolarHBondContact O-CD1 3.48Å; P921-Y931 HydrophobicContact CG-CE1 4.26Å; P921-A966 HydrophobicContact CG-CB 3.61Å
922C79.7Confident81.8Confident72 Ų7237.8 Ų37.849%0.48622%0.223SC..PPolyproline II helixtrans-62131.1172-173.40000110.7P868 A869 H924P868-C922 WeakPolarHBondContact CA-O 3.36Å; A869-C922 HydrophobicContact CB-CB 4.07Å; A869-C922 PolarHBondContact N-O 3.47Å; C922-H924 VanDerWaalsContact C-N 3.29Å; C922-H924 PolarHBondContact O-N 2.74Å
923D77.8Confident82.5Confident64 Ų6435.4 Ų35.434%0.34221%0.209SC..  trans-77-14.7-177.671.9-14000113.5P921 G925 S926 I928 N968P921-D923 PolarHBondContact O-N 2.88Å; D923-G925 PolarHBondContact O-N 3.07Å; D923-G925 PolarHBondContact OD1-N 3.3Å; D923-S926 PolarHBondContact O-N 2.91Å; D923-S926 VanDerWaalsContact O-O 3.06Å; D923-I928 HydrophobicContact CB-CD1 4.5Å; D923-I928 HydrophobicContact CB-CG1 4.17Å; D923-N968 PolarHBondContact O-ND2 3.12Å; D923-N968 VanDerWaalsContact O-ND2 3.08Å
924H79.4Confident82.8Confident41 Ų4135.7 Ų35.719%0.1921%0.21CC..THydrogen-bonded Turntrans50.937.2-173-66.4145.2000113.6P836 A837 C865 S866 V867 C922P836-H924 HydrophobicContact CB-CB 3.82Å; P836-H924 HydrophobicContact CG-CB 4.26Å; A837-H924 WeakPolarHBondContact CB-O 3.4Å; C865-H924 VanDerWaalsContact CA-O 3.3Å; C865-H924 WeakPolarHBondContact CA-O 3.31Å; C865-H924 VanDerWaalsContact CB-O 3.31Å; C865-H924 WeakPolarHBondContact CB-O 3.41Å; S866-H924 PolarHBondContact N-O 2.68Å; V867-H924 PolarHBondContact O-ND1 3.18Å; C922-H924 VanDerWaalsContact C-N 3.29Å; C922-H924 PolarHBondContact O-N 2.74Å
925G69.4Low82.8Confident38 Ų3835.5 Ų35.539%0.39221%0.209SC..THydrogen-bonded Turntrans76.318.817600000115.7C865 D923C865-G925 PolarHBondContact SG-O 2.87Å; D923-G925 PolarHBondContact O-N 3.07Å; D923-G925 PolarHBondContact OD1-N 3.3Å
926S77.8Confident82.4Confident21 Ų2137.9 Ų37.915%0.14723%0.234CC..SBendtrans-137.9123.8159.1168.70000108.6D923 N968 S969D923-S926 PolarHBondContact O-N 2.91Å; D923-S926 VanDerWaalsContact O-O 3.06Å; S926-N968 WeakPolarHBondContact O-CB 3.44Å; S926-N968 PolarHBondContact O-ND2 3.28Å; S926-S969 PolarHBondContact OG-OG 2.87Å
927E80.7Confident81.5Confident160 Ų16047 Ų4775%0.74828%0.276SS*.  trans-46.7137.6-178-62.6176.6169.800113.1T929 N968E927-T929 PolarHBondContact O-N 2.84Å; E927-N968 WeakPolarHBondContact O-CB 3.33Å
928I84.1Confident80.7Confident27 Ų2751.4 Ų51.414%0.13829%0.291CS..EExtended strand (participates in β ladder)trans-73.1115.6177.6-63169.9000108.3P868 P921 D923 Y931 P945 A966 Q967P868-I928 HydrophobicContact CB-CG1 4.32Å; P868-I928 HydrophobicContact CG-CG1 4.14Å; P921-I928 HydrophobicContact CG-CD1 3.74Å; P921-I928 WeakPolarHBondContact O-CD1 3.48Å; D923-I928 HydrophobicContact CB-CD1 4.5Å; D923-I928 HydrophobicContact CB-CG1 4.17Å; I928-Y931 HydrophobicContact CG2-CD2 4.46Å; I928-Y931 HydrophobicContact CG2-CE1 4.14Å; I928-Y931 HydrophobicContact CG2-CE2 3.95Å; I928-P945 WeakPolarHBondContact O-CB 3.49Å; I928-A966 HydrophobicContact CD1-CB 4.22Å; I928-A966 HydrophobicContact CG1-CB 4.49Å; I928-A966 HydrophobicContact CG2-CB 4.05Å; I928-Q967 CarbonylContact C-O 3.4Å; I928-Q967 WeakPolarHBondContact CA-O 3.35Å; I928-Q967 WeakPolarHBondContact CG2-O 3.43Å
929T84.1Confident80Confident75 Ų7559.5 Ų59.546%0.4633%0.329SS..EExtended strand (participates in β ladder)trans-90.3-27.8-176.752.60000112.7E927 Q967E927-T929 PolarHBondContact O-N 2.84Å; T929-Q967 PolarHBondContact N-O 3.22Å; T929-Q967 PolarHBondContact OG1-O 2.84Å
930S85.5Confident79.7Confident13 Ų1359.9 Ų59.99%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-160166.7-179.257.90000112.5V943 Q967S930-V943 CarbonylContact C-O 3.57Å; S930-V943 WeakPolarHBondContact CA-O 3.29Å; S930-V943 WeakPolarHBondContact CB-O 3.36Å; S930-Q967 PolarHBondContact N-O 3.11Å; S930-Q967 PolarHBondContact O-N 3.24Å; S930-Q967 WeakPolarHBondContact OG-CB 3.34Å; S930-Q967 PolarHBondContact OG-OE1 2.99Å
931Y88.5Confident79.7Confident6 Ų657.8 Ų57.82%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-121.9145.6165.5-58.5-96.1000109.8V871 W918 P921 I928 V942 V943 V946 I964 Q965 A966V871-Y931 HydrophobicContact CG2-CD1 3.87Å; V871-Y931 HydrophobicContact CG2-CE1 3.97Å; W918-Y931 AromaticContact CD1-CE1 3.92Å; W918-Y931 HydrophobicContact CZ2-CD1 4.27Å; W918-Y931 AromaticContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CE2 4.35Å; W918-Y931 AromaticContact CZ2-CG 3.79Å; W918-Y931 HydrophobicContact CZ2-CG 3.79Å; W918-Y931 AromaticContact NE1-CD1 3.39Å; W918-Y931 AromaticContact NE1-CD2 3.94Å; W918-Y931 AromaticContact NE1-CE1 3.21Å; W918-Y931 AromaticContact NE1-CE2 3.8Å; W918-Y931 AromaticContact NE1-CG 3.76Å; W918-Y931 AromaticContact NE1-CZ 3.44Å; P921-Y931 HydrophobicContact CG-CE1 4.26Å; I928-Y931 HydrophobicContact CG2-CD2 4.46Å; I928-Y931 HydrophobicContact CG2-CE1 4.14Å; I928-Y931 HydrophobicContact CG2-CE2 3.95Å; Y931-V942 WeakPolarHBondContact O-CA 3.41Å; Y931-V943 HydrophobicContact CD2-CG2 4.5Å; Y931-V943 PolarHBondContact N-O 2.75Å; Y931-V943 PolarHBondContact O-N 2.92Å; Y931-V946 WeakPolarHBondContact CD2-O 3.29Å; Y931-V946 VanDerWaalsContact CE2-O 3.25Å; Y931-V946 WeakPolarHBondContact CE2-O 3.32Å; Y931-I964 HydrophobicContact CD1-CG2 4.3Å; Y931-Q965 CarbonylContact C-O 3.6Å; Y931-Q965 VanDerWaalsContact CA-O 3.3Å; Y931-Q965 WeakPolarHBondContact CA-O 3.24Å; Y931-A966 HydrophobicContact CD1-CB 3.69Å; Y931-A966 HydrophobicContact CE1-CB 3.66Å
932L87.9Confident79.6Confident27 Ų2761.4 Ų61.414%0.14134%0.341CS..EExtended strand (participates in β ladder)trans-106.7116.3170.5-63.695.6000109.8P940 V941 V942 I964 Q965 Q967 T972L932-P940 HydrophobicContact CB-CB 4.47Å; L932-P940 HydrophobicContact CD2-CB 4.48Å; L932-V941 WeakPolarHBondContact CA-O 3.14Å; L932-V942 HydrophobicContact CD2-CG2 4.02Å; L932-V942 HydrophobicContact CG-CG2 4.15Å; L932-I964 WeakPolarHBondContact O-CA 3.46Å; L932-Q965 HydrophobicContact CB-CG 3.96Å; L932-Q965 HydrophobicContact CD1-CG 4.17Å; L932-Q965 PolarHBondContact N-O 3.34Å; L932-Q965 PolarHBondContact O-N 2.98Å; L932-Q967 HydrophobicContact CD1-CB 4.2Å; L932-T972 HydrophobicContact CD1-CG2 3.78Å
933I86.9Confident79.8Confident1 Ų158.4 Ų58.41%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-96.7108.7175.9-53.9175.8000108.2W918 P940 V941 V943 Y949 I951 I962 I964W918-I933 HydrophobicContact CH2-CD1 3.86Å; W918-I933 HydrophobicContact CH2-CG1 4.44Å; W918-I933 HydrophobicContact CZ3-CD1 4.1Å; I933-P940 CarbonylContact O-C 3.6Å; I933-P940 WeakPolarHBondContact O-CA 3.46Å; I933-V941 PolarHBondContact N-O 2.78Å; I933-V941 PolarHBondContact O-N 2.86Å; I933-V943 HydrophobicContact CD1-CG1 3.93Å; I933-V943 HydrophobicContact CD1-CG2 4.18Å; I933-V943 HydrophobicContact CG1-CG2 4.42Å; I933-Y949 HydrophobicContact CD1-CD1 3.7Å; I933-Y949 HydrophobicContact CD1-CE1 4.49Å; I933-Y949 HydrophobicContact CD1-CG 4.06Å; I933-I951 HydrophobicContact CG2-CD1 4.03Å; I933-I962 HydrophobicContact CG2-CG2 3.83Å; I933-I964 HydrophobicContact CG1-CD1 4.33Å; I933-I964 HydrophobicContact CG1-CG1 4.26Å; I933-I964 HydrophobicContact CG1-CG2 4.24Å; I933-I964 HydrophobicContact CG2-CG1 4.38Å
934D85.8Confident79.9Confident13 Ų1357.1 Ų57.17%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-93.8132.1175.3177.224.4000111.2G936 P940 I962 R963 F975D934-G936 PolarHBondContact OD1-N 3.5Å; D934-P940 HydrophobicContact CB-CB 4.28Å; D934-P940 HydrophobicContact CB-CG 4.17Å; D934-I962 WeakPolarHBondContact O-CA 3.36Å; D934-R963 HydrophobicContact CB-CG 3.89Å; D934-R963 PolarHBondContact N-O 2.85Å; D934-R963 PolarHBondContact O-N 3.07Å; D934-R963 VanDerWaalsContact O-N 3.07Å; D934-R963 IonicContact OD2-CZ 2.67Å; D934-R963 IonicContact OD2-NE 2.87Å; D934-R963 PolarHBondContact OD2-NE 2.75Å; D934-R963 IonicContact OD2-NH2 3.35Å; D934-R963 PolarHBondContact OD2-NH2 3.01Å; D934-F975 HydrophobicContact CB-CE1 3.85Å; D934-F975 HydrophobicContact CB-CZ 4.24Å
935L81Confident80Confident10 Ų1059.5 Ų59.55%0.05234%0.342CS..  trans-103.63.8-179.2-79.5155.5000113.1E937 R938 V941 I951 Y960 R961 I962L935-E937 VanDerWaalsContact C-N 3.28Å; L935-E937 PolarHBondContact O-N 2.57Å; L935-R938 HydrophobicContact CB-CB 4.24Å; L935-V941 HydrophobicContact CD1-CG2 4.43Å; L935-I951 HydrophobicContact CD1-CG2 3.84Å; L935-I951 HydrophobicContact CD2-CD1 4.16Å; L935-I951 HydrophobicContact CD2-CG2 4.35Å; L935-Y960 HydrophobicContact CD2-CD1 4.26Å; L935-Y960 HydrophobicContact CD2-CG 4.42Å; L935-R961 CarbonylContact C-O 3.5Å; L935-R961 VanDerWaalsContact CA-O 3.25Å; L935-R961 WeakPolarHBondContact CA-O 3.3Å; L935-I962 HydrophobicContact CD2-CD1 4.44Å; L935-I962 HydrophobicContact CD2-CG1 3.91Å
936G74.7Confident80.6Confident53 Ų5361.1 Ų61.155%0.54634%0.343SS..SBendtrans82.8-50.217400000114.8D934D934-G936 PolarHBondContact OD1-N 3.5Å
937E65.2Low80.8Confident191 Ų19162.5 Ų62.589%0.89335%0.351SS*.SBendtrans-113.78.6-179.1-67.3179.2-161.800113.1L935L935-E937 VanDerWaalsContact C-N 3.28Å; L935-E937 PolarHBondContact O-N 2.57Å
938R69.3Low80.9Confident107 Ų10760 Ų6040%0.40434%0.338SS..SBendtrans-124.7161.7171-70.5-175.3172.8-176.1-0.8109.3L935 H953L935-R938 HydrophobicContact CB-CB 4.24Å; R938-H953 PolarHBondContact NH1-O 2.76Å; R938-H953 PolarHBondContact NH2-O 2.97Å
939Q73.1Confident80.9Confident173 Ų17362.6 Ų62.681%0.80835%0.346SS*.PPolyproline II helixtrans-60.5143.3170.7-69.5-176-7.100110.4V941Q939-V941 PolarHBondContact O-N 2.77Å
940P77.1Confident80.9Confident62 Ų6259.6 Ų59.640%0.40333%0.327SS..PPolyproline II helixtrans-60.9134177.2-23.534.2000111.9L932 I933 D934L932-P940 HydrophobicContact CB-CB 4.47Å; L932-P940 HydrophobicContact CD2-CB 4.48Å; I933-P940 CarbonylContact O-C 3.6Å; I933-P940 WeakPolarHBondContact O-CA 3.46Å; D934-P940 HydrophobicContact CB-CB 4.28Å; D934-P940 HydrophobicContact CB-CG 4.17Å
941V81.8Confident80.8Confident45 Ų4559.2 Ų59.227%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-83.6119.1175.1-176.20000108.2L932 I933 L935 Q939 V943 Y949L932-V941 WeakPolarHBondContact CA-O 3.14Å; I933-V941 PolarHBondContact N-O 2.78Å; I933-V941 PolarHBondContact O-N 2.86Å; L935-V941 HydrophobicContact CD1-CG2 4.43Å; Q939-V941 PolarHBondContact O-N 2.77Å; V941-V943 HydrophobicContact CG1-CG1 3.99Å; V941-Y949 HydrophobicContact CG1-CE1 4.14Å
942V83Confident80.3Confident90 Ų9062.4 Ų62.455%0.54534%0.339SS..EExtended strand (participates in β ladder)trans-81.2125.8168.9-171.30000108Y931 L932Y931-V942 WeakPolarHBondContact O-CA 3.41Å; L932-V942 HydrophobicContact CD2-CG2 4.02Å; L932-V942 HydrophobicContact CG-CG2 4.15Å
943V83.8Confident79.8Confident9 Ų968.4 Ų68.46%0.05537%0.367CS..EExtended strand (participates in β ladder)trans-118.3155.8173.7-55.80000109.5W918 S930 Y931 I933 V941 V946 Y949W918-V943 HydrophobicContact CH2-CG2 4.21Å; W918-V943 HydrophobicContact CZ2-CG2 4.29Å; S930-V943 CarbonylContact C-O 3.57Å; S930-V943 WeakPolarHBondContact CA-O 3.29Å; S930-V943 WeakPolarHBondContact CB-O 3.36Å; Y931-V943 HydrophobicContact CD2-CG2 4.5Å; Y931-V943 PolarHBondContact N-O 2.75Å; Y931-V943 PolarHBondContact O-N 2.92Å; I933-V943 HydrophobicContact CD1-CG1 3.93Å; I933-V943 HydrophobicContact CD1-CG2 4.18Å; I933-V943 HydrophobicContact CG1-CG2 4.42Å; V941-V943 HydrophobicContact CG1-CG1 3.99Å; V943-V946 HydrophobicContact CB-CG2 4.5Å; V943-V946 HydrophobicContact CG2-CG2 4.43Å; V943-Y949 HydrophobicContact CB-CD2 4.26Å; V943-Y949 HydrophobicContact CB-CE2 4.44Å; V943-Y949 HydrophobicContact CG1-CD1 3.95Å; V943-Y949 HydrophobicContact CG1-CD2 3.59Å; V943-Y949 HydrophobicContact CG1-CE1 3.92Å; V943-Y949 HydrophobicContact CG1-CE2 3.56Å; V943-Y949 HydrophobicContact CG1-CG 3.79Å
944G78.7Confident79.4Confident37 Ų3768.7 Ų68.738%0.38137%0.368SS..  trans-65.6-168.1176.700000113.5V946G944-V946 PolarHBondContact O-N 3.46Å
945P81.6Confident79Confident92 Ų9273.7 Ų73.760%0.59739%0.391SS*.SBendtrans-7330.9-175.732.4-37.7000114.5I928I928-P945 WeakPolarHBondContact O-CB 3.49Å
946V82.3Confident78.6Confident71 Ų7174.9 Ų74.943%0.4340%0.399SS..  trans-90.3149.3-179.3-63.80000112.1W918 Y931 V943 G944 K948W918-V946 WeakPolarHBondContact CZ2-O 3.47Å; Y931-V946 WeakPolarHBondContact CD2-O 3.29Å; Y931-V946 VanDerWaalsContact CE2-O 3.25Å; Y931-V946 WeakPolarHBondContact CE2-O 3.32Å; V943-V946 HydrophobicContact CB-CG2 4.5Å; V943-V946 HydrophobicContact CG2-CG2 4.43Å; G944-V946 PolarHBondContact O-N 3.46Å; V946-K948 WeakPolarHBondContact CG2-O 3.42Å
947T82.1Confident78.7Confident50 Ų5076.4 Ų76.431%0.30740%0.395SS..SBendtrans-101.811.4178.449.20000113.5S917 W918 P920S917-T947 CarbonylContact C-O 3.54Å; S917-T947 WeakPolarHBondContact CA-O 3.28Å; S917-T947 WeakPolarHBondContact CB-O 3.47Å; S917-T947 PolarHBondContact OG-O 2.74Å; W918-T947 PolarHBondContact N-O 3.17Å; W918-T947 WeakPolarHBondContact O-CB 3.39Å; P920-T947 HydrophobicContact CB-CG2 3.99Å; P920-T947 HydrophobicContact CG-CG2 4.29Å
948K83Confident79.3Confident109 Ų10969.8 Ų69.847%0.47437%0.367SS..EExtended strand (participates in β ladder)trans-145.4138.7-178.5-65.7178.1-179.1176.50109.4F885 V916 S917 V946F885-K948 HydrophobicContact CE2-CB 3.96Å; F885-K948 HydrophobicContact CE2-CD 4.3Å; F885-K948 HydrophobicContact CZ-CB 3.66Å; V916-K948 WeakPolarHBondContact O-CA 3.23Å; S917-K948 VanDerWaalsContact OG-CG 3.31Å; S917-K948 WeakPolarHBondContact OG-CG 3.34Å; V946-K948 WeakPolarHBondContact CG2-O 3.42Å
949Y83.9Confident79.8Confident80 Ų8068.7 Ų68.731%0.31438%0.376SS..EExtended strand (participates in β ladder)trans-154147.9177.8-168.8-108.4000112.6V916 I933 V941 V943 I951V916-Y949 WeakPolarHBondContact CG2-O 3.36Å; V916-Y949 PolarHBondContact N-O 3.47Å; V916-Y949 PolarHBondContact O-N 3.13Å; I933-Y949 HydrophobicContact CD1-CD1 3.7Å; I933-Y949 HydrophobicContact CD1-CE1 4.49Å; I933-Y949 HydrophobicContact CD1-CG 4.06Å; V941-Y949 HydrophobicContact CG1-CE1 4.14Å; V943-Y949 HydrophobicContact CB-CD2 4.26Å; V943-Y949 HydrophobicContact CB-CE2 4.44Å; V943-Y949 HydrophobicContact CG1-CD1 3.95Å; V943-Y949 HydrophobicContact CG1-CD2 3.59Å; V943-Y949 HydrophobicContact CG1-CE1 3.92Å; V943-Y949 HydrophobicContact CG1-CE2 3.56Å; V943-Y949 HydrophobicContact CG1-CG 3.79Å; Y949-I951 HydrophobicContact CD1-CG1 3.97Å; Y949-I951 HydrophobicContact CE1-CG1 4.3Å
950I83.1Confident80.2Confident12 Ų1261.7 Ų61.76%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-109115.2174.7-60.6175.9000109L882 F885 C913 Q952L882-I950 HydrophobicContact CD2-CD1 3.95Å; L882-I950 HydrophobicContact CD2-CG1 4.03Å; L882-I950 HydrophobicContact CD2-CG2 4.03Å; F885-I950 HydrophobicContact CB-CD1 3.64Å; F885-I950 HydrophobicContact CD1-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CG1 4.38Å; F885-I950 HydrophobicContact CG-CD1 3.59Å; F885-I950 HydrophobicContact CG-CG1 4.34Å; C913-I950 HydrophobicContact CB-CG2 4.2Å; I950-Q952 HydrophobicContact CG2-CG 4.12Å
951I83.4Confident80.5Confident6 Ų666.1 Ų66.13%0.03135%0.351CS..EExtended strand (participates in β ladder)trans-84.8115.4177.3-51.8177.9000108.4C913 L914 V916 I933 L935 Y949 L954 I962C913-I951 CarbonylContact C-O 3.55Å; C913-I951 VanDerWaalsContact CA-O 3.28Å; C913-I951 WeakPolarHBondContact CA-O 3.32Å; L914-I951 PolarHBondContact N-O 3.47Å; L914-I951 PolarHBondContact O-N 2.86Å; V916-I951 HydrophobicContact CG2-CD1 4.16Å; V916-I951 HydrophobicContact CG2-CG1 4.32Å; I933-I951 HydrophobicContact CG2-CD1 4.03Å; L935-I951 HydrophobicContact CD1-CG2 3.84Å; L935-I951 HydrophobicContact CD2-CD1 4.16Å; L935-I951 HydrophobicContact CD2-CG2 4.35Å; Y949-I951 HydrophobicContact CD1-CG1 3.97Å; Y949-I951 HydrophobicContact CE1-CG1 4.3Å; I951-L954 HydrophobicContact CB-CD1 4.31Å; I951-L954 HydrophobicContact CG2-CD1 4.04Å; I951-L954 HydrophobicContact CG2-CD2 3.92Å; I951-L954 HydrophobicContact CG2-CG 4.19Å; I951-I962 HydrophobicContact CD1-CD1 3.95Å
952Q79.1Confident80.7Confident72 Ų7264 Ų6434%0.33634%0.338SS..  trans-103.7175.2-174.8-54.1-173.922.800112.6Y908 I950 L954Y908-Q952 HydrophobicContact CE1-CG 4.39Å; Y908-Q952 VanDerWaalsContact CE1-NE2 3.32Å; I950-Q952 HydrophobicContact CG2-CG 4.12Å; Q952-L954 VanDerWaalsContact C-N 3.29Å; Q952-L954 PolarHBondContact O-N 3.19Å
953H76.7Confident80.9Confident154 Ų15463.8 Ų63.871%0.71333%0.328SS*.SBendtrans5342.9178.4-49-62.8000113.8T912 R938T912-H953 PolarHBondContact O-N 2.88Å; R938-H953 PolarHBondContact NH1-O 2.76Å; R938-H953 PolarHBondContact NH2-O 2.97Å
954L79.8Confident81.2Confident6 Ų663.4 Ų63.43%0.03133%0.325CS..PPolyproline II helixtrans-90.1155.2171.5-57.5174.9000110T912 L914 I951 Q952 Y960 T983T912-L954 WeakPolarHBondContact CA-O 3.37Å; T912-L954 WeakPolarHBondContact O-CB 3.39Å; T912-L954 PolarHBondContact O-N 3.46Å; L914-L954 HydrophobicContact CB-CD1 3.76Å; L914-L954 HydrophobicContact CD1-CD1 3.58Å; L914-L954 HydrophobicContact CG-CD1 3.49Å; L914-L954 VanDerWaalsContact CG-CD1 3.49Å; I951-L954 HydrophobicContact CB-CD1 4.31Å; I951-L954 HydrophobicContact CG2-CD1 4.04Å; I951-L954 HydrophobicContact CG2-CD2 3.92Å; I951-L954 HydrophobicContact CG2-CG 4.19Å; Q952-L954 VanDerWaalsContact C-N 3.29Å; Q952-L954 PolarHBondContact O-N 3.19Å; L954-Y960 HydrophobicContact CB-CE2 3.8Å; L954-Y960 HydrophobicContact CD1-CD2 4.37Å; L954-Y960 HydrophobicContact CD1-CE2 4.33Å; L954-Y960 HydrophobicContact CD2-CD1 4.25Å; L954-Y960 HydrophobicContact CD2-CD2 4.23Å; L954-Y960 HydrophobicContact CD2-CE1 3.89Å; L954-Y960 HydrophobicContact CD2-CE2 3.86Å; L954-Y960 HydrophobicContact CD2-CG 4.41Å; L954-Y960 HydrophobicContact CG-CE2 4.22Å; L954-T983 HydrophobicContact CB-CG2 3.99Å; L954-T983 HydrophobicContact CD1-CG2 4.3Å
955Q75.9Confident81.7Confident119 Ų11962.7 Ų62.756%0.55631%0.312SS*.PPolyproline II helixtrans-80.5143.9177.5-70.2-66.1-12.500110.4T958 Y960 T983Q955-T958 HydrophobicContact CB-CG2 4.39Å; Q955-T958 WeakPolarHBondContact CB-OG1 3.31Å; Q955-T958 WeakPolarHBondContact O-CB 3.38Å; Q955-Y960 PolarHBondContact N-OH 3.26Å; Q955-T983 PolarHBondContact O-OG1 2.72Å
956P73.6Confident81.9Confident35 Ų3558.3 Ų58.323%0.22728%0.284CS..THydrogen-bonded Turntrans-58.2152.7170.3-25.235.4000113.3S911 T912 T958 L986S911-P956 WeakPolarHBondContact O-CA 3.45Å; T912-P956 HydrophobicContact CG2-CG 4.4Å; P956-T958 PolarHBondContact O-N 2.87Å; P956-T958 PolarHBondContact O-OG1 3.08Å; P956-L986 HydrophobicContact CB-CG 4.39Å; P956-L986 HydrophobicContact CG-CD1 4.27Å; P956-L986 HydrophobicContact CG-CG 4.22Å
957D76.6Confident82.2Confident85 Ų8557.8 Ų57.846%0.45528%0.276SS..THydrogen-bonded Turntrans48.524.4179.9-150.559.3000115.8K982 T983 K984D957-K982 VanDerWaalsContact C-CE 3.45Å; D957-K982 VanDerWaalsContact CG-CE 3.45Å; D957-K982 WeakPolarHBondContact O-CE 3.44Å; D957-K982 VanDerWaalsContact OD1-CE 3.3Å; D957-K982 WeakPolarHBondContact OD1-CE 3.44Å; D957-K982 IonicContact OD1-NZ 2.68Å; D957-K982 PolarHBondContact OD1-NZ 2.61Å; D957-K982 WeakPolarHBondContact OD2-CE 3.28Å; D957-K982 IonicContact OD2-NZ 2.67Å; D957-K982 PolarHBondContact OD2-NZ 2.64Å; D957-T983 WeakPolarHBondContact CA-O 3.48Å; D957-T983 PolarHBondContact N-OG1 2.6Å; D957-K984 PolarHBondContact N-O 2.79Å
958T77.6Confident82.3Confident51 Ų5155.5 Ų55.531%0.31326%0.262SS..  trans-109.6139.2-170.2-61.40000111.6Q955 P956 Y960 K982 T983Q955-T958 HydrophobicContact CB-CG2 4.39Å; Q955-T958 WeakPolarHBondContact CB-OG1 3.31Å; Q955-T958 WeakPolarHBondContact O-CB 3.38Å; P956-T958 PolarHBondContact O-N 2.87Å; P956-T958 PolarHBondContact O-OG1 3.08Å; T958-Y960 HydrophobicContact CG2-CD2 4.46Å; T958-Y960 HydrophobicContact CG2-CE1 4.35Å; T958-Y960 HydrophobicContact CG2-CE2 3.73Å; T958-K982 WeakPolarHBondContact O-CA 3.36Å; T958-T983 PolarHBondContact N-OG1 2.7Å; T958-T983 PolarHBondContact O-N 3.26Å; T958-T983 VanDerWaalsContact O-N 3.11Å; T958-T983 PolarHBondContact O-OG1 3.03Å
959S80.2Confident82.2Confident84 Ų8454.7 Ų54.759%0.58727%0.27SS*.EExtended strand (participates in β ladder)trans-99.7121.5-178.6-62.50000112.5L981 K982S959-L981 CarbonylContact C-O 3.52Å; S959-L981 WeakPolarHBondContact CA-O 3.48Å; S959-K982 WeakPolarHBondContact OG-CG 3.29Å
960Y81.4Confident82Confident27 Ų2755.4 Ų55.411%0.10628%0.279CS..EExtended strand (participates in β ladder)trans-104.3155.9179-65.2-83.2000111.8L914 L935 L954 Q955 T958 K980 L981 T983L914-Y960 HydrophobicContact CD1-CD2 4.17Å; L935-Y960 HydrophobicContact CD2-CD1 4.26Å; L935-Y960 HydrophobicContact CD2-CG 4.42Å; L954-Y960 HydrophobicContact CB-CE2 3.8Å; L954-Y960 HydrophobicContact CD1-CD2 4.37Å; L954-Y960 HydrophobicContact CD1-CE2 4.33Å; L954-Y960 HydrophobicContact CD2-CD1 4.25Å; L954-Y960 HydrophobicContact CD2-CD2 4.23Å; L954-Y960 HydrophobicContact CD2-CE1 3.89Å; L954-Y960 HydrophobicContact CD2-CE2 3.86Å; L954-Y960 HydrophobicContact CD2-CG 4.41Å; L954-Y960 HydrophobicContact CG-CE2 4.22Å; Q955-Y960 PolarHBondContact N-OH 3.26Å; T958-Y960 HydrophobicContact CG2-CD2 4.46Å; T958-Y960 HydrophobicContact CG2-CE1 4.35Å; T958-Y960 HydrophobicContact CG2-CE2 3.73Å; Y960-K980 WeakPolarHBondContact O-CA 3.26Å; Y960-L981 PolarHBondContact N-O 3.2Å; Y960-L981 PolarHBondContact O-N 2.88Å; Y960-L981 VanDerWaalsContact O-N 3.09Å; Y960-T983 HydrophobicContact CE2-CG2 4.48Å
961R83.6Confident81.9Confident154 Ų15455.9 Ų55.958%0.58129%0.287SS*.EExtended strand (participates in β ladder)trans-112.6127.2171.4-60.1-177.6-167.3-172.37.3107.9L935 T978 F979 K980L935-R961 CarbonylContact C-O 3.5Å; L935-R961 VanDerWaalsContact CA-O 3.25Å; L935-R961 WeakPolarHBondContact CA-O 3.3Å; R961-T978 HydrophobicContact CB-CG2 3.94Å; R961-F979 WeakPolarHBondContact CA-O 3.44Å; R961-K980 HydrophobicContact CG-CG 4.28Å
962I85.1Confident82Confident0 Ų058.7 Ų58.70%031%0.305CS..EExtended strand (participates in β ladder)trans-123.3135.7-174.1-55.5170.4000109.6V916 I933 D934 L935 I951 I964 T978 F979V916-I962 HydrophobicContact CG1-CD1 4.2Å; I933-I962 HydrophobicContact CG2-CG2 3.83Å; D934-I962 WeakPolarHBondContact O-CA 3.36Å; L935-I962 HydrophobicContact CD2-CD1 4.44Å; L935-I962 HydrophobicContact CD2-CG1 3.91Å; I951-I962 HydrophobicContact CD1-CD1 3.95Å; I962-I964 HydrophobicContact CG2-CG1 4.4Å; I962-T978 WeakPolarHBondContact O-CA 3.45Å; I962-F979 HydrophobicContact CB-CD1 4.08Å; I962-F979 HydrophobicContact CB-CE1 3.52Å; I962-F979 HydrophobicContact CB-CE2 4.02Å; I962-F979 HydrophobicContact CB-CZ 3.5Å; I962-F979 HydrophobicContact CD1-CE2 3.91Å; I962-F979 HydrophobicContact CD1-CZ 3.92Å; I962-F979 HydrophobicContact CG1-CE2 4.47Å; I962-F979 HydrophobicContact CG1-CZ 4.29Å; I962-F979 HydrophobicContact CG2-CD1 4.45Å; I962-F979 HydrophobicContact CG2-CE1 3.49Å; I962-F979 VanDerWaalsContact CG2-CE1 3.49Å; I962-F979 HydrophobicContact CG2-CE2 4.44Å; I962-F979 HydrophobicContact CG2-CZ 3.49Å; I962-F979 VanDerWaalsContact CG2-CZ 3.49Å; I962-F979 PolarHBondContact N-O 2.84Å; I962-F979 WeakPolarHBondContact O-CD1 3.3Å; I962-F979 PolarHBondContact O-N 2.95Å
963R87.9Confident82.2Confident87 Ų8755.5 Ų55.533%0.32829%0.291SS..EExtended strand (participates in β ladder)trans-142.7150.2168.161.1178.4177.4155.12.4109.8D934 F975D934-R963 HydrophobicContact CB-CG 3.89Å; D934-R963 PolarHBondContact N-O 2.85Å; D934-R963 PolarHBondContact O-N 3.07Å; D934-R963 VanDerWaalsContact O-N 3.07Å; D934-R963 IonicContact OD2-CZ 2.67Å; D934-R963 IonicContact OD2-NE 2.87Å; D934-R963 PolarHBondContact OD2-NE 2.75Å; D934-R963 IonicContact OD2-NH2 3.35Å; D934-R963 PolarHBondContact OD2-NH2 3.01Å; R963-F975 HydrophobicContact CB-CD1 4.18Å; R963-F975 HydrophobicContact CG-CD1 3.61Å; R963-F975 HydrophobicContact CG-CE1 3.97Å; R963-F975 HydrophobicContact CG-CG 4.23Å; R963-F975 VanDerWaalsContact NH1-CD2 3.33Å
964I89Confident82.7Confident0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-131138.3-171.7-48.5-177.4000109.7V871 I874 W918 Y931 L932 I933 I962 S976V871-I964 HydrophobicContact CB-CB 4.4Å; V871-I964 HydrophobicContact CG1-CB 4.27Å; V871-I964 HydrophobicContact CG1-CG2 4.37Å; V871-I964 HydrophobicContact CG2-CG2 4.15Å; I874-I964 HydrophobicContact CD1-CB 4.38Å; I874-I964 HydrophobicContact CD1-CD1 3.96Å; I874-I964 HydrophobicContact CD1-CG1 4.01Å; I874-I964 HydrophobicContact CG2-CD1 4.22Å; W918-I964 HydrophobicContact CD2-CD1 3.8Å; W918-I964 HydrophobicContact CE3-CD1 3.38Å; W918-I964 HydrophobicContact CG-CD1 4.41Å; W918-I964 HydrophobicContact CH2-CD1 4.44Å; W918-I964 HydrophobicContact CZ3-CD1 3.77Å; Y931-I964 HydrophobicContact CD1-CG2 4.3Å; L932-I964 WeakPolarHBondContact O-CA 3.46Å; I933-I964 HydrophobicContact CG1-CD1 4.33Å; I933-I964 HydrophobicContact CG1-CG1 4.26Å; I933-I964 HydrophobicContact CG1-CG2 4.24Å; I933-I964 HydrophobicContact CG2-CG1 4.38Å; I962-I964 HydrophobicContact CG2-CG1 4.4Å; I964-S976 PolarHBondContact N-OG 2.66Å; I964-S976 WeakPolarHBondContact O-CB 3.19Å; I964-S976 PolarHBondContact O-N 2.95Å; I964-S976 PolarHBondContact O-OG 3Å
965Q89Confident82.9Confident22 Ų2254.4 Ų54.410%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-127.4144.3168.361.4-176.423.200110.7Y931 L932 G973 F975Y931-Q965 CarbonylContact C-O 3.6Å; Y931-Q965 VanDerWaalsContact CA-O 3.3Å; Y931-Q965 WeakPolarHBondContact CA-O 3.24Å; L932-Q965 HydrophobicContact CB-CG 3.96Å; L932-Q965 HydrophobicContact CD1-CG 4.17Å; L932-Q965 PolarHBondContact N-O 3.34Å; L932-Q965 PolarHBondContact O-N 2.98Å; Q965-G973 PolarHBondContact OE1-O 2.87Å; Q965-F975 HydrophobicContact CB-CD1 3.93Å; Q965-F975 HydrophobicContact CB-CE1 4.32Å; Q965-F975 HydrophobicContact CB-CG 4.26Å; Q965-F975 HydrophobicContact CG-CD1 3.93Å; Q965-F975 HydrophobicContact CG-CE1 3.79Å; Q965-F975 HydrophobicContact CG-CG 4.45Å; Q965-F975 HydrophobicContact CG-CZ 4.2Å
966A87.3Confident83.4Confident0 Ų049.3 Ų49.30%027%0.268CS..EExtended strand (participates in β ladder)trans-87.4154.1174.300000111.1P868 V871 P921 I928 Y931 G973P868-A966 HydrophobicContact CB-CB 3.83Å; P868-A966 HydrophobicContact CG-CB 4.17Å; V871-A966 HydrophobicContact CG2-CB 4.08Å; P921-A966 HydrophobicContact CG-CB 3.61Å; I928-A966 HydrophobicContact CD1-CB 4.22Å; I928-A966 HydrophobicContact CG1-CB 4.49Å; I928-A966 HydrophobicContact CG2-CB 4.05Å; Y931-A966 HydrophobicContact CD1-CB 3.69Å; Y931-A966 HydrophobicContact CE1-CB 3.66Å; A966-G973 PolarHBondContact O-N 3.36Å
967Q87.3Confident83.7Confident60 Ų6056.2 Ų56.228%0.2830%0.297SS..EExtended strand (participates in β ladder)trans-131.7140.6177.4178.1175.3-3.800110I928 T929 S930 L932 G971 T972I928-Q967 CarbonylContact C-O 3.4Å; I928-Q967 WeakPolarHBondContact CA-O 3.35Å; I928-Q967 WeakPolarHBondContact CG2-O 3.43Å; T929-Q967 PolarHBondContact N-O 3.22Å; T929-Q967 PolarHBondContact OG1-O 2.84Å; S930-Q967 PolarHBondContact N-O 3.11Å; S930-Q967 PolarHBondContact O-N 3.24Å; S930-Q967 WeakPolarHBondContact OG-CB 3.34Å; S930-Q967 PolarHBondContact OG-OE1 2.99Å; L932-Q967 HydrophobicContact CD1-CB 4.2Å; Q967-G971 WeakPolarHBondContact CA-O 3.37Å; Q967-T972 HydrophobicContact CB-CG2 4.1Å; Q967-T972 HydrophobicContact CG-CG2 4.06Å
968N84.6Confident84Confident2 Ų256.3 Ų56.31%0.01130%0.301CS..EExtended strand (participates in β ladder)trans-126.9-172.6168.468.912.5000110.6S866 P868 D923 S926 E927 L970 G971S866-N968 PolarHBondContact O-ND2 3.32Å; P868-N968 HydrophobicContact CG-CB 3.82Å; D923-N968 PolarHBondContact O-ND2 3.12Å; D923-N968 VanDerWaalsContact O-ND2 3.08Å; S926-N968 WeakPolarHBondContact O-CB 3.44Å; S926-N968 PolarHBondContact O-ND2 3.28Å; E927-N968 WeakPolarHBondContact O-CB 3.33Å; N968-L970 PolarHBondContact O-N 3.06Å; N968-L970 VanDerWaalsContact O-N 3.11Å; N968-L970 WeakPolarHBondContact OD1-CB 3.46Å; N968-L970 PolarHBondContact OD1-N 3.44Å; N968-G971 PolarHBondContact N-O 3.39Å; N968-G971 PolarHBondContact O-N 2.63Å; N968-G971 VanDerWaalsContact O-N 3.09Å; N968-G971 PolarHBondContact OD1-N 3.36Å; N968-G971 PolarHBondContact OD1-O 2.86Å
969S81.6Confident84.1Confident92 Ų9255.8 Ų55.864%0.64330%0.295SS*.THydrogen-bonded Turntrans-58.2-21.8179.871.60000114.7S926S926-S969 PolarHBondContact OG-OG 2.87Å
970L80.3Confident84.1Confident96 Ų9659.3 Ų59.350%0.50330%0.299SS..THydrogen-bonded Turntrans-93.2-12.6-178.9-58.8172.9000112.9C865 V867 N968C865-L970 HydrophobicContact CB-CD1 3.66Å; V867-L970 HydrophobicContact CG1-CB 4.42Å; N968-L970 PolarHBondContact O-N 3.06Å; N968-L970 VanDerWaalsContact O-N 3.11Å; N968-L970 WeakPolarHBondContact OD1-CB 3.46Å; N968-L970 PolarHBondContact OD1-N 3.44Å
971G80.9Confident84Confident22 Ų2259.4 Ų59.423%0.22730%0.301CS..EExtended strand (participates in β ladder)trans136-169.3176.100000114.4Q967 N968Q967-G971 WeakPolarHBondContact CA-O 3.37Å; N968-G971 PolarHBondContact N-O 3.39Å; N968-G971 PolarHBondContact O-N 2.63Å; N968-G971 VanDerWaalsContact O-N 3.09Å; N968-G971 PolarHBondContact OD1-N 3.36Å; N968-G971 PolarHBondContact OD1-O 2.86Å
972T84.6Confident83.7Confident65 Ų6556.8 Ų56.840%0.39930%0.295SS..EExtended strand (participates in β ladder)trans-85.1130.9178.953.30000111.6L932 Q967L932-T972 HydrophobicContact CD1-CG2 3.78Å; Q967-T972 HydrophobicContact CB-CG2 4.1Å; Q967-T972 HydrophobicContact CG-CG2 4.06Å
973G84.2Confident83.3Confident4 Ų457 Ų574%0.04130%0.296CS..  trans-71.8179.116500000112.4P868 Q965 A966P868-G973 WeakPolarHBondContact O-CA 3.35Å; Q965-G973 PolarHBondContact OE1-O 2.87Å; A966-G973 PolarHBondContact O-N 3.36Å
974P86.1Confident82.7Confident72 Ų7256 Ų5647%0.46829%0.294SS..PPolyproline II helixtrans-75.7150.9-179.730.5-34.4000113.2P868 A870P868-P974 WeakPolarHBondContact O-CD 3.18Å; A870-P974 HydrophobicContact CB-CG 3.97Å
975F84.9Confident81.7Confident66 Ų6658.5 Ų58.529%0.28931%0.31SS..PPolyproline II helixtrans-61.7141.5172.3-77.2-72.2000113.6D934 R963 Q965D934-F975 HydrophobicContact CB-CE1 3.85Å; D934-F975 HydrophobicContact CB-CZ 4.24Å; R963-F975 HydrophobicContact CB-CD1 4.18Å; R963-F975 HydrophobicContact CG-CD1 3.61Å; R963-F975 HydrophobicContact CG-CE1 3.97Å; R963-F975 HydrophobicContact CG-CG 4.23Å; R963-F975 VanDerWaalsContact NH1-CD2 3.33Å; Q965-F975 HydrophobicContact CB-CD1 3.93Å; Q965-F975 HydrophobicContact CB-CE1 4.32Å; Q965-F975 HydrophobicContact CB-CG 4.26Å; Q965-F975 HydrophobicContact CG-CD1 3.93Å; Q965-F975 HydrophobicContact CG-CE1 3.79Å; Q965-F975 HydrophobicContact CG-CG 4.45Å; Q965-F975 HydrophobicContact CG-CZ 4.2Å
976S86.3Confident80.8Confident11 Ų1162.8 Ų62.88%0.07733%0.333CS..PPolyproline II helixtrans-61.9168.4166.375.10000112.8V871 I874 I964V871-S976 WeakPolarHBondContact O-CB 3.02Å; I874-S976 VanDerWaalsContact CD1-OG 3.32Å; I874-S976 WeakPolarHBondContact CD1-OG 3.44Å; I964-S976 PolarHBondContact N-OG 2.66Å; I964-S976 WeakPolarHBondContact O-CB 3.19Å; I964-S976 PolarHBondContact O-N 2.95Å; I964-S976 PolarHBondContact O-OG 3Å
977H80.3Confident80Confident180 Ų18065.8 Ų65.883%0.83335%0.352SS*.PPolyproline II helixtrans-59.8139166.2-63.3-68.9000111.6
978T81.1Confident79.2Confident87 Ų8764.1 Ų64.153%0.53435%0.347SS..PPolyproline II helixtrans-79.6123.3-178.7-48.10000111.5R961 I962R961-T978 HydrophobicContact CB-CG2 3.94Å; I962-T978 WeakPolarHBondContact O-CA 3.45Å
979F79.4Confident78.6Confident41 Ų4172.3 Ų72.318%0.1839%0.385CS..EExtended strand (participates in β ladder)trans-108.1168.9172.967.2-76.6000111.7I874 V916 R961 I962I874-F979 HydrophobicContact CB-CD1 4.36Å; I874-F979 HydrophobicContact CB-CE1 3.98Å; I874-F979 HydrophobicContact CB-CZ 4.37Å; I874-F979 HydrophobicContact CD1-CD1 4.12Å; I874-F979 HydrophobicContact CD1-CE1 3.73Å; I874-F979 HydrophobicContact CG1-CE1 4.45Å; I874-F979 HydrophobicContact CG2-CD1 4.33Å; I874-F979 HydrophobicContact CG2-CE1 3.51Å; I874-F979 HydrophobicContact CG2-CE2 4.38Å; I874-F979 HydrophobicContact CG2-CZ 3.52Å; V916-F979 HydrophobicContact CG1-CE2 4.08Å; V916-F979 HydrophobicContact CG1-CZ 3.87Å; R961-F979 WeakPolarHBondContact CA-O 3.44Å; I962-F979 HydrophobicContact CB-CD1 4.08Å; I962-F979 HydrophobicContact CB-CE1 3.52Å; I962-F979 HydrophobicContact CB-CE2 4.02Å; I962-F979 HydrophobicContact CB-CZ 3.5Å; I962-F979 HydrophobicContact CD1-CE2 3.91Å; I962-F979 HydrophobicContact CD1-CZ 3.92Å; I962-F979 HydrophobicContact CG1-CE2 4.47Å; I962-F979 HydrophobicContact CG1-CZ 4.29Å; I962-F979 HydrophobicContact CG2-CD1 4.45Å; I962-F979 HydrophobicContact CG2-CE1 3.49Å; I962-F979 VanDerWaalsContact CG2-CE1 3.49Å; I962-F979 HydrophobicContact CG2-CE2 4.44Å; I962-F979 HydrophobicContact CG2-CZ 3.49Å; I962-F979 VanDerWaalsContact CG2-CZ 3.49Å; I962-F979 PolarHBondContact N-O 2.84Å; I962-F979 WeakPolarHBondContact O-CD1 3.3Å; I962-F979 PolarHBondContact O-N 2.95Å
980K80.4Confident78.4Confident157 Ų15770 Ų7068%0.68337%0.368SS*.EExtended strand (participates in β ladder)trans-126.2140.3-177.1-69.9178-178173.30110.7Y960 R961Y960-K980 WeakPolarHBondContact O-CA 3.26Å; R961-K980 HydrophobicContact CG-CG 4.28Å
981L79.4Confident78.2Confident29 Ų2966.3 Ų66.315%0.15235%0.35CS..EExtended strand (participates in β ladder)trans-148.3143.7-178.7-170.452.1000111.1I876 L914 S959 Y960I876-L981 HydrophobicContact CD1-CD1 3.77Å; I876-L981 HydrophobicContact CD1-CD2 4.29Å; I876-L981 HydrophobicContact CG1-CD1 4.43Å; I876-L981 HydrophobicContact CG1-CD2 4.07Å; I876-L981 HydrophobicContact CG2-CD1 4.34Å; I876-L981 HydrophobicContact CG2-CD2 3.91Å; L914-L981 HydrophobicContact CB-CD2 4.13Å; L914-L981 HydrophobicContact CD1-CB 4.11Å; L914-L981 HydrophobicContact CD1-CD2 3.92Å; L914-L981 HydrophobicContact CD1-CG 3.8Å; L914-L981 HydrophobicContact CD2-CD2 3.85Å; L914-L981 HydrophobicContact CD2-CG 3.81Å; L914-L981 HydrophobicContact CG-CD2 4.18Å; L914-L981 HydrophobicContact CG-CG 4.34Å; S959-L981 CarbonylContact C-O 3.52Å; S959-L981 WeakPolarHBondContact CA-O 3.48Å; Y960-L981 PolarHBondContact N-O 3.2Å; Y960-L981 PolarHBondContact O-N 2.88Å; Y960-L981 VanDerWaalsContact O-N 3.09Å
982K78Confident78.1Confident100 Ų10073.4 Ų73.444%0.43537%0.37SS..EExtended strand (participates in β ladder)trans-119.7138-177-164.5-168.5-173.9-158.10110.9D957 T958 S959D957-K982 VanDerWaalsContact C-CE 3.45Å; D957-K982 VanDerWaalsContact CG-CE 3.45Å; D957-K982 WeakPolarHBondContact O-CE 3.44Å; D957-K982 VanDerWaalsContact OD1-CE 3.3Å; D957-K982 WeakPolarHBondContact OD1-CE 3.44Å; D957-K982 IonicContact OD1-NZ 2.68Å; D957-K982 PolarHBondContact OD1-NZ 2.61Å; D957-K982 WeakPolarHBondContact OD2-CE 3.28Å; D957-K982 IonicContact OD2-NZ 2.67Å; D957-K982 PolarHBondContact OD2-NZ 2.64Å; T958-K982 WeakPolarHBondContact O-CA 3.36Å; S959-K982 WeakPolarHBondContact OG-CG 3.29Å
983T77.2Confident78Confident4 Ų470.5 Ų70.53%0.02535%0.352CS..  trans-77.2159.4170.647.70000112.2L914 L954 Q955 D957 T958 Y960L914-T983 HydrophobicContact CD1-CG2 4.22Å; L914-T983 HydrophobicContact CD2-CG2 4.06Å; L914-T983 HydrophobicContact CG-CG2 3.96Å; L954-T983 HydrophobicContact CB-CG2 3.99Å; L954-T983 HydrophobicContact CD1-CG2 4.3Å; Q955-T983 PolarHBondContact O-OG1 2.72Å; D957-T983 WeakPolarHBondContact CA-O 3.48Å; D957-T983 PolarHBondContact N-OG1 2.6Å; T958-T983 PolarHBondContact N-OG1 2.7Å; T958-T983 PolarHBondContact O-N 3.26Å; T958-T983 VanDerWaalsContact O-N 3.11Å; T958-T983 PolarHBondContact O-OG1 3.03Å; Y960-T983 HydrophobicContact CE2-CG2 4.48Å
984K74.7Confident77.9Confident66 Ų6674.3 Ų74.329%0.28737%0.368SS..  trans-75.8162.4175.2-68.7-165.5-163.8172.90112.9E879 P910 S911 D957E879-K984 IonicContact OE1-NZ 2.66Å; E879-K984 PolarHBondContact OE1-NZ 2.73Å; E879-K984 IonicContact OE2-NZ 2.59Å; E879-K984 PolarHBondContact OE2-NZ 2.82Å; P910-K984 HydrophobicContact CB-CB 4.5Å; P910-K984 HydrophobicContact CB-CD 3.91Å; P910-K984 HydrophobicContact CB-CG 4.05Å; P910-K984 HydrophobicContact CG-CB 4.45Å; P910-K984 HydrophobicContact CG-CD 3.65Å; P910-K984 HydrophobicContact CG-CG 4.21Å; P910-K984 PolarHBondContact O-N 3.37Å; S911-K984 WeakPolarHBondContact CA-O 3.14Å; S911-K984 WeakPolarHBondContact CB-O 3.29Å; D957-K984 PolarHBondContact N-O 2.79Å
985P68.8Low77.7Confident52 Ų5272.8 Ų72.834%0.33836%0.359SS..  trans-73.8-176.2167.931.8-37.3000112.7S911 A1065S911-P985 WeakPolarHBondContact CB-O 3.48Å; S911-P985 PolarHBondContact OG-O 3.11Å; P985-A1065 VanDerWaalsContact O-CB 3.3Å; P985-A1065 WeakPolarHBondContact O-CB 3.31Å
986L69.4Low77.6Confident113 Ų11373.5 Ų73.559%0.59237%0.369SS*.PPolyproline II helixtrans-93.9153.7-179.1-78159.7000113.5P956 N1063P956-L986 HydrophobicContact CB-CG 4.39Å; P956-L986 HydrophobicContact CG-CD1 4.27Å; P956-L986 HydrophobicContact CG-CG 4.22Å; L986-N1063 PolarHBondContact O-ND2 2.85Å; L986-N1063 VanDerWaalsContact O-ND2 3.12Å
987P69.6Low77.1Confident62 Ų6275.5 Ų75.540%0.40339%0.386SS..PPolyproline II helixtrans-66.1153.8171.4-2133.6000113.7A1065P987-A1065 HydrophobicContact CG-CB 4.14Å
988P72.3Confident77.2Confident26 Ų2673.7 Ų73.717%0.16938%0.376CS..PPolyproline II helixtrans-87.6156.5-173.635.4-34.5000113.4A1061 N1063 G1068P988-A1061 HydrophobicContact CB-CB 4.36Å; P988-A1061 HydrophobicContact CG-CB 4.07Å; P988-N1063 HydrophobicContact CG-CB 4.35Å; P988-G1068 WeakPolarHBondContact O-CA 3.36Å
989Q71.6Confident77Confident174 Ų17471.6 Ų71.681%0.81337%0.365SS*.PPolyproline II helixtrans-87.8153.7174.8-67.8-170.77.500112.8
990P76.4Confident76.8Confident44 Ų4473.4 Ų73.429%0.28637%0.373SS..PPolyproline II helixtrans-69.6145.4-178.724.4-33.3000114P1069P990-P1069 VanDerWaalsContact CB-O 3.31Å; P990-P1069 WeakPolarHBondContact CB-O 3.49Å; P990-P1069 WeakPolarHBondContact CD-O 3.39Å; P990-P1069 WeakPolarHBondContact CG-O 3.41Å
991P77.4Confident76.9Confident18 Ų1870.6 Ų70.612%0.11736%0.363CS..PPolyproline II helixtrans-80.3159.8179.434.7-37.9000113.3W1007 Y1022 I1059P991-W1007 HydrophobicContact CG-CB 4.46Å; P991-Y1022 HydrophobicContact CB-CE1 4.17Å; P991-Y1022 HydrophobicContact CG-CD1 3.71Å; P991-Y1022 HydrophobicContact CG-CE1 3.81Å; P991-I1059 HydrophobicContact CG-CD1 3.89Å; P991-I1059 HydrophobicContact CG-CG1 3.97Å; P991-I1059 HydrophobicContact CG-CG2 3.94Å; P991-I1059 WeakPolarHBondContact O-CG2 3.22Å
992R77.8Confident77Confident171 Ų17170.9 Ų70.965%0.64537%0.366SS*.PPolyproline II helixtrans-73.3145.7170.6-161.1-173.6-162.7-154.613.5111.5E994 W1007 G1008R992-E994 IonicContact CZ-OE1 3.14Å; R992-E994 IonicContact NE-OE1 2.7Å; R992-E994 IonicContact NH1-OE1 2.69Å; R992-E994 PolarHBondContact NH1-OE1 3.4Å; R992-W1007 WeakPolarHBondContact O-CA 3.38Å; R992-W1007 WeakPolarHBondContact O-CB 3.34Å; R992-G1008 PolarHBondContact O-N 2.78Å
993L83.4Confident77.4Confident4 Ų466.3 Ų66.32%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-120.4131.9-179.3-176.367.5000111.6L1005 W1007 L1024 F1057 I1059 Y1074L993-L1005 HydrophobicContact CD1-CB 4.17Å; L993-L1005 HydrophobicContact CD1-CD1 4.47Å; L993-W1007 HydrophobicContact CD1-CB 4.06Å; L993-W1007 HydrophobicContact CD1-CD2 4.35Å; L993-W1007 HydrophobicContact CD1-CE3 3.64Å; L993-W1007 HydrophobicContact CD1-CZ3 4.47Å; L993-L1024 HydrophobicContact CD1-CD1 3.93Å; L993-L1024 HydrophobicContact CD2-CD1 3.79Å; L993-F1057 HydrophobicContact CD2-CB 3.57Å; L993-F1057 HydrophobicContact CD2-CG 4.49Å; L993-I1059 HydrophobicContact CB-CG2 4.46Å; L993-Y1074 HydrophobicContact CB-CD1 4.17Å; L993-Y1074 HydrophobicContact CB-CD2 3.82Å; L993-Y1074 HydrophobicContact CB-CE1 4.11Å; L993-Y1074 HydrophobicContact CB-CE2 3.77Å; L993-Y1074 HydrophobicContact CB-CG 4.02Å; L993-Y1074 HydrophobicContact CD2-CD2 3.99Å; L993-Y1074 HydrophobicContact CD2-CG 4.18Å; L993-Y1074 HydrophobicContact CG-CD2 4.45Å; L993-Y1074 HydrophobicContact CG-CG 4.46Å; L993-Y1074 PolarHBondContact N-OH 3.11Å; L993-Y1074 VanDerWaalsContact O-CD1 3.23Å; L993-Y1074 WeakPolarHBondContact O-CD1 3.35Å; L993-Y1074 WeakPolarHBondContact O-CE1 3.36Å
994E82.4Confident77.8Confident83 Ų8372.4 Ų72.439%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-137.6150.9-173.6-62.6-178.2172.100112.1R992 L1005 K1006R992-E994 IonicContact CZ-OE1 3.14Å; R992-E994 IonicContact NE-OE1 2.7Å; R992-E994 IonicContact NH1-OE1 2.69Å; R992-E994 PolarHBondContact NH1-OE1 3.4Å; E994-L1005 CarbonylContact O-C 3.55Å; E994-L1005 VanDerWaalsContact O-CA 3.27Å; E994-L1005 WeakPolarHBondContact O-CA 3.45Å; E994-K1006 PolarHBondContact N-O 2.84Å; E994-K1006 PolarHBondContact O-N 3Å
995C81.9Confident78.4Confident40 Ų4069.2 Ų69.227%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-106.2127.6175.5-175.20000111.3R1004 L1005 F1076C995-R1004 CarbonylContact C-O 3.45Å; C995-R1004 WeakPolarHBondContact CA-O 3.33Å; C995-L1005 HydrophobicContact CB-CD2 3.79Å; C995-F1076 HydrophobicContact CB-CD1 3.55Å; C995-F1076 HydrophobicContact CB-CD2 4.17Å; C995-F1076 HydrophobicContact CB-CE1 3.49Å; C995-F1076 VanDerWaalsContact CB-CE1 3.49Å; C995-F1076 HydrophobicContact CB-CE2 4.12Å; C995-F1076 HydrophobicContact CB-CG 3.91Å; C995-F1076 HydrophobicContact CB-CZ 3.8Å
996T81.1Confident79.1Confident82 Ų8270.3 Ų70.350%0.50335%0.354SS..EExtended strand (participates in β ladder)trans-108.6-18.8-166.157.40000114.5R1004 K1006T996-R1004 PolarHBondContact N-O 2.79Å; T996-R1004 PolarHBondContact OG1-O 3.01Å; T996-K1006 HydrophobicContact CG2-CB 3.91Å
997A77.4Confident79.9Confident52 Ų5265.1 Ų65.143%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-159.7143.8175.100000110.4L1003 R1004A997-L1003 CarbonylContact O-C 3.58Å; A997-L1003 WeakPolarHBondContact O-CA 3.09Å; A997-R1004 HydrophobicContact CB-CB 4.33Å; A997-R1004 PolarHBondContact O-N 3.09Å
998F80.4Confident80Confident143 Ų14362.9 Ų62.963%0.62732%0.315SS*.EExtended strand (participates in β ladder)trans-140.6155.4178.661.1-96.1000112.9T1002 L1003 P1079F998-T1002 CarbonylContact C-O 3.6Å; F998-T1002 VanDerWaalsContact CA-O 3.32Å; F998-T1002 WeakPolarHBondContact CA-O 3.45Å; F998-L1003 HydrophobicContact CB-CD2 3.62Å; F998-P1079 HydrophobicContact CD2-CG 4.23Å; F998-P1079 HydrophobicContact CE2-CG 4.42Å
999S77.4Confident79.7Confident42 Ų4269.7 Ų69.729%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-142.8176.4168.179.30000109Q1001 T1002 T1078S999-Q1001 PolarHBondContact O-N 3.03Å; S999-Q1001 PolarHBondContact OG-N 2.85Å; S999-T1002 PolarHBondContact N-O 2.9Å; S999-T1002 PolarHBondContact O-N 3.47Å; S999-T1002 PolarHBondContact OG-N 2.8Å; S999-T1002 PolarHBondContact OG-OG1 3.37Å; S999-T1078 WeakPolarHBondContact O-CG2 3.29Å
1000H76.3Confident79.2Confident79 Ų7962.4 Ų62.437%0.36632%0.322SS..THydrogen-bonded Turntrans-62.9-5.3175.975-88000114.1N1050 E1051 P1079H1000-N1050 CarbonylContact O-C 3.59Å; H1000-E1051 HydrophobicContact CB-CB 4.15Å; H1000-E1051 PolarHBondContact O-N 2.85Å; H1000-P1079 HydrophobicContact CB-CG 4.33Å; H1000-P1079 WeakPolarHBondContact CB-O 3.16Å
1001Q82.4Confident78.3Confident99 Ų9965.6 Ų65.646%0.46334%0.343SS..THydrogen-bonded Turntrans-136.85.6176.1-50.7-175.227.300116.2S999 R1048 L1049S999-Q1001 PolarHBondContact O-N 3.03Å; S999-Q1001 PolarHBondContact OG-N 2.85Å; Q1001-R1048 PolarHBondContact O-N 3.08Å; Q1001-R1048 VanDerWaalsContact O-N 3.13Å; Q1001-L1049 VanDerWaalsContact CA-O 3.32Å; Q1001-L1049 WeakPolarHBondContact CA-O 3.35Å; Q1001-L1049 WeakPolarHBondContact CB-O 3.18Å; Q1001-L1049 PolarHBondContact O-N 3.34Å
1002T82Confident77.3Confident35 Ų3568.8 Ų68.822%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-149.2150.3-173.763.70000114F998 S999 V1046 Q1047F998-T1002 CarbonylContact C-O 3.6Å; F998-T1002 VanDerWaalsContact CA-O 3.32Å; F998-T1002 WeakPolarHBondContact CA-O 3.45Å; S999-T1002 PolarHBondContact N-O 2.9Å; S999-T1002 PolarHBondContact O-N 3.47Å; S999-T1002 PolarHBondContact OG-N 2.8Å; S999-T1002 PolarHBondContact OG-OG1 3.37Å; T1002-V1046 WeakPolarHBondContact CA-O 3.46Å; T1002-Q1047 HydrophobicContact CG2-CB 4.29Å; T1002-Q1047 HydrophobicContact CG2-CG 4.14Å
1003L84.4Confident76.1Confident3 Ų371.2 Ų71.22%0.01638%0.379CS..EExtended strand (participates in β ladder)trans-132.6154.1171.1-65.5170.8000110.8A997 F998 V1046 L1049 F1076A997-L1003 CarbonylContact O-C 3.58Å; A997-L1003 WeakPolarHBondContact O-CA 3.09Å; F998-L1003 HydrophobicContact CB-CD2 3.62Å; L1003-V1046 HydrophobicContact CB-CB 4.49Å; L1003-V1046 PolarHBondContact N-O 2.77Å; L1003-V1046 PolarHBondContact O-N 2.7Å; L1003-L1049 HydrophobicContact CB-CD1 4.09Å; L1003-L1049 HydrophobicContact CD1-CD1 3.65Å; L1003-L1049 HydrophobicContact CG-CD1 3.52Å; L1003-F1076 HydrophobicContact CD1-CB 3.86Å; L1003-F1076 HydrophobicContact CD2-CB 4.33Å
1004R85.7Confident74.4Confident132 Ų13275 Ų7550%0.49841%0.405SS..EExtended strand (participates in β ladder)trans-133.1116.7174.4-167.4-178.3-169178.62.9111.7C995 T996 A997 K1045C995-R1004 CarbonylContact C-O 3.45Å; C995-R1004 WeakPolarHBondContact CA-O 3.33Å; T996-R1004 PolarHBondContact N-O 2.79Å; T996-R1004 PolarHBondContact OG1-O 3.01Å; A997-R1004 HydrophobicContact CB-CB 4.33Å; A997-R1004 PolarHBondContact O-N 3.09Å; R1004-K1045 HydrophobicContact CG-CB 4.33Å; R1004-K1045 HydrophobicContact CG-CG 4.46Å
1005L87.4Confident72.8Confident0 Ų077.5 Ų77.50%043%0.426CS..EExtended strand (participates in β ladder)trans-101.1149.5-173.3-53.7-177.4000112.4L993 E994 C995 W1007 T1043 H1044 V1046 F1057 F1076L993-L1005 HydrophobicContact CD1-CB 4.17Å; L993-L1005 HydrophobicContact CD1-CD1 4.47Å; E994-L1005 CarbonylContact O-C 3.55Å; E994-L1005 VanDerWaalsContact O-CA 3.27Å; E994-L1005 WeakPolarHBondContact O-CA 3.45Å; C995-L1005 HydrophobicContact CB-CD2 3.79Å; L1005-W1007 HydrophobicContact CB-CZ3 4.5Å; L1005-T1043 CarbonylContact O-C 3.59Å; L1005-T1043 VanDerWaalsContact O-CA 3.27Å; L1005-T1043 WeakPolarHBondContact O-CA 3.37Å; L1005-T1043 WeakPolarHBondContact O-CB 3.25Å; L1005-H1044 PolarHBondContact N-O 2.81Å; L1005-H1044 PolarHBondContact O-N 3.39Å; L1005-V1046 HydrophobicContact CD1-CG2 4.48Å; L1005-F1057 HydrophobicContact CD1-CD1 3.61Å; L1005-F1057 HydrophobicContact CD1-CD2 4.19Å; L1005-F1057 HydrophobicContact CD1-CE1 3.69Å; L1005-F1057 HydrophobicContact CD1-CE2 4.27Å; L1005-F1057 HydrophobicContact CD1-CG 3.88Å; L1005-F1057 HydrophobicContact CD1-CZ 4.04Å; L1005-F1076 HydrophobicContact CD2-CD2 3.74Å; L1005-F1076 HydrophobicContact CD2-CE2 3.55Å; L1005-F1076 HydrophobicContact CD2-CZ 4.33Å
1006K83.9Confident71.3Confident75 Ų7579.6 Ų79.633%0.32644%0.438SS..EExtended strand (participates in β ladder)trans-134.5146.9173.5178.8-174.8175.4-150.40109.6E994 T996 G1008 H1042 T1043E994-K1006 PolarHBondContact N-O 2.84Å; E994-K1006 PolarHBondContact O-N 3Å; T996-K1006 HydrophobicContact CG2-CB 3.91Å; K1006-G1008 WeakPolarHBondContact CE-O 3.25Å; K1006-H1042 CarbonylContact C-O 3.5Å; K1006-H1042 WeakPolarHBondContact CA-O 3.41Å; K1006-T1043 HydrophobicContact CB-CG2 4.03Å; K1006-T1043 HydrophobicContact CG-CG2 3.94Å
1007W86.7Confident69.9Low3 Ų381 Ų811%0.01145%0.451CS..EExtended strand (participates in β ladder)trans-143.7150.8170.656.189.1000112P991 R992 L993 L1005 Y1022 L1024 Y1037 C1041 H1042 H1044 I1059P991-W1007 HydrophobicContact CG-CB 4.46Å; R992-W1007 WeakPolarHBondContact O-CA 3.38Å; R992-W1007 WeakPolarHBondContact O-CB 3.34Å; L993-W1007 HydrophobicContact CD1-CB 4.06Å; L993-W1007 HydrophobicContact CD1-CD2 4.35Å; L993-W1007 HydrophobicContact CD1-CE3 3.64Å; L993-W1007 HydrophobicContact CD1-CZ3 4.47Å; L1005-W1007 HydrophobicContact CB-CZ3 4.5Å; W1007-Y1022 AromaticContact NE1-CD2 3.76Å; W1007-Y1022 AromaticContact NE1-CG 3.88Å; W1007-L1024 HydrophobicContact CE3-CD2 4.47Å; W1007-L1024 HydrophobicContact CH2-CB 4.43Å; W1007-L1024 HydrophobicContact CH2-CD2 3.87Å; W1007-L1024 HydrophobicContact CZ3-CD2 3.67Å; W1007-Y1037 HydrophobicContact CH2-CD1 4.17Å; W1007-Y1037 AromaticContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CE1 4.12Å; W1007-Y1037 HydrophobicContact CZ2-CG 4.49Å; W1007-C1041 VanDerWaalsContact CE2-O 3.24Å; W1007-C1041 VanDerWaalsContact CZ2-O 3.23Å; W1007-C1041 WeakPolarHBondContact CZ2-O 3.44Å; W1007-C1041 PolarHBondContact NE1-O 3.4Å; W1007-H1042 PolarHBondContact N-O 3.24Å; W1007-H1042 WeakPolarHBondContact O-CB 3.41Å; W1007-H1042 PolarHBondContact O-CD2 2.79Å; W1007-H1044 HydrophobicContact CH2-CB 3.74Å; W1007-H1044 HydrophobicContact CZ3-CB 3.81Å; W1007-I1059 HydrophobicContact CB-CD1 3.94Å; W1007-I1059 HydrophobicContact CD2-CD1 3.56Å; W1007-I1059 HydrophobicContact CE3-CD1 4.34Å; W1007-I1059 HydrophobicContact CG-CD1 3.34Å
1008G72Confident68.9Low16 Ų1683.5 Ų83.517%0.16546%0.457CS..SBendtrans67.5168.6-176.700000114.6R992 K1006 G1010R992-G1008 PolarHBondContact O-N 2.78Å; K1006-G1008 WeakPolarHBondContact CE-O 3.25Å; G1008-G1010 PolarHBondContact O-N 2.85Å
1009D65.6Low68Low169 Ų16978.6 Ų78.690%0.90444%0.443SS*.SBendtrans-80.920.5-173.7-65-54.5000114.5
1010G60Low67.6Low21 Ų2179 Ų7922%0.21645%0.445CS..  trans81.8175.8-179.100000113.4G1008 H1042G1008-G1010 PolarHBondContact O-N 2.85Å; G1010-H1042 PolarHBondContact O-NE2 2.67Å
1011P58.9Low67.7Low111 Ų11179.4 Ų79.472%0.72145%0.447SS*.  trans-66.4130-17727.2-34000111.2
1012P55.4Low67.9Low85 Ų8576.2 Ų76.255%0.55243%0.43SS*.  trans-65.3157.4173.228.2-34.4000111.2S1014P1012-S1014 PolarHBondContact O-N 2.83Å
1013K52.6Low68.2Low222 Ų22275.7 Ų75.797%0.96543%0.425SS*.SBendtrans-70.30.4-174.8-69.5-176.2177.3178.20115.2
1014S48.3Very low68.3Low82 Ų8275.5 Ų75.557%0.57343%0.425SS*.SBendtrans-144.8129.8174.453.30000109.3P1012P1012-S1014 PolarHBondContact O-N 2.83Å
1015V48.7Very low68.5Low137 Ų13770.1 Ų70.183%0.8341%0.405SS*.  trans-93.4102173.2-177.90000108.2
1016T51.3Low68.4Low84 Ų8472 Ų7252%0.51542%0.415SS..  trans-88.7163.2162.747.70000109.9D1018T1016-D1018 PolarHBondContact O-N 2.87Å
1017S50.8Low68.4Low111 Ų11168.8 Ų68.878%0.77640%0.402SS*.THydrogen-bonded Turntrans-55.9-35173.634.30000112.8A1019S1017-A1019 PolarHBondContact O-N 2.68Å; S1017-A1019 VanDerWaalsContact O-N 3.16Å
1018D56.3Low67.9Low104 Ų10471.5 Ų71.556%0.55642%0.417SS*.THydrogen-bonded Turntrans-84.39.8-165.5-38.6-7.5000112.5T1016T1016-D1018 PolarHBondContact O-N 2.87Å
1019A62.3Low67.7Low40 Ų4080.9 Ų80.933%0.33145%0.453SS..PPolyproline II helixtrans-66.5129.1-179.600000111S1017 Q1021S1017-A1019 PolarHBondContact O-N 2.68Å; S1017-A1019 VanDerWaalsContact O-N 3.16Å; A1019-Q1021 PolarHBondContact O-N 2.99Å
1020P68.8Low68Low52 Ų5277.6 Ų77.634%0.33844%0.443SS..PPolyproline II helixtrans-65.4133.4-176.326.6-34.6000111.4F1062P1020-F1062 WeakPolarHBondContact CA-O 3.26Å
1021Q79Confident68.3Low87 Ų8779 Ų7941%0.40746%0.458SS..EExtended strand (participates in β ladder)trans-93.4151.9176.9-64.2-175.138.700110.7A1019 A1061 F1062A1019-Q1021 PolarHBondContact O-N 2.99Å; Q1021-A1061 CarbonylContact O-C 3.43Å; Q1021-A1061 WeakPolarHBondContact O-CA 3.31Å; Q1021-F1062 HydrophobicContact CB-CD1 3.97Å; Q1021-F1062 HydrophobicContact CB-CD2 4.17Å; Q1021-F1062 HydrophobicContact CB-CE1 3.43Å; Q1021-F1062 VanDerWaalsContact CB-CE1 3.43Å; Q1021-F1062 HydrophobicContact CB-CE2 3.69Å; Q1021-F1062 HydrophobicContact CB-CG 4.3Å; Q1021-F1062 HydrophobicContact CB-CZ 3.28Å; Q1021-F1062 HydrophobicContact CG-CE2 4.25Å; Q1021-F1062 HydrophobicContact CG-CZ 4.17Å; Q1021-F1062 PolarHBondContact N-O 2.8Å; Q1021-F1062 VanDerWaalsContact N-O 3.1Å; Q1021-F1062 WeakPolarHBondContact O-CD1 3.35Å; Q1021-F1062 PolarHBondContact O-N 2.97Å
1022Y85.8Confident69.3Low31 Ų3182.4 Ų82.412%0.12246%0.456CS..EExtended strand (participates in β ladder)trans-117.2155.3-172.9-58-63.1000113.5P991 W1007 K1038 G1039 H1042 Q1060 A1061P991-Y1022 HydrophobicContact CB-CE1 4.17Å; P991-Y1022 HydrophobicContact CG-CD1 3.71Å; P991-Y1022 HydrophobicContact CG-CE1 3.81Å; W1007-Y1022 AromaticContact NE1-CD2 3.76Å; W1007-Y1022 AromaticContact NE1-CG 3.88Å; Y1022-K1038 CarbonylContact O-C 3.56Å; Y1022-K1038 VanDerWaalsContact O-CA 3.26Å; Y1022-K1038 WeakPolarHBondContact O-CA 3.5Å; Y1022-G1039 PolarHBondContact N-O 2.89Å; Y1022-G1039 PolarHBondContact O-N 2.98Å; Y1022-H1042 AromaticContact CE2-CE1 3.79Å; Y1022-H1042 AromaticContact CE2-NE2 3.7Å; Y1022-Q1060 CarbonylContact C-O 3.54Å; Y1022-Q1060 VanDerWaalsContact CA-O 3.31Å; Y1022-Q1060 WeakPolarHBondContact CA-O 3.44Å; Y1022-A1061 HydrophobicContact CD1-CB 3.85Å; Y1022-A1061 HydrophobicContact CE1-CB 3.88Å
1023H87.9Confident70.5Confident24 Ų2480.8 Ų80.811%0.11144%0.441CS..EExtended strand (participates in β ladder)trans-139104.1176.7-174.1179.4000112Q1025 S1035 Y1037 K1038 I1059 Q1060H1023-Q1025 PolarHBondContact CE1-NE2 3.05Å; H1023-S1035 PolarHBondContact NE2-OG 3.39Å; H1023-Y1037 CarbonylContact C-O 3.55Å; H1023-Y1037 WeakPolarHBondContact CA-O 3.4Å; H1023-Y1037 PolarHBondContact CD2-O 3.16Å; H1023-K1038 HydrophobicContact CB-CB 4.37Å; H1023-K1038 HydrophobicContact CB-CD 4.15Å; H1023-K1038 HydrophobicContact CB-CG 3.95Å; H1023-I1059 VanDerWaalsContact O-CA 3.26Å; H1023-I1059 WeakPolarHBondContact O-CA 3.43Å; H1023-Q1060 HydrophobicContact CB-CG 3.96Å; H1023-Q1060 PolarHBondContact N-O 2.86Å; H1023-Q1060 PolarHBondContact O-N 2.7Å
1024L87.4Confident72Confident0 Ų074.3 Ų74.30%042%0.416CS..EExtended strand (participates in β ladder)trans-92.6138.8178.6179.976.2000112.1L993 W1007 L1036 Y1037 H1044 I1059L993-L1024 HydrophobicContact CD1-CD1 3.93Å; L993-L1024 HydrophobicContact CD2-CD1 3.79Å; W1007-L1024 HydrophobicContact CE3-CD2 4.47Å; W1007-L1024 HydrophobicContact CH2-CB 4.43Å; W1007-L1024 HydrophobicContact CH2-CD2 3.87Å; W1007-L1024 HydrophobicContact CZ3-CD2 3.67Å; L1024-L1036 HydrophobicContact CD2-CB 4.21Å; L1024-L1036 HydrophobicContact CD2-CD1 4.4Å; L1024-L1036 HydrophobicContact CG-CB 4.49Å; L1024-L1036 PolarHBondContact O-N 2.96Å; L1024-Y1037 PolarHBondContact N-O 2.95Å; L1024-Y1037 PolarHBondContact O-N 3.15Å; L1024-H1044 HydrophobicContact CD2-CB 4.43Å; L1024-I1059 HydrophobicContact CB-CD1 4.28Å; L1024-I1059 HydrophobicContact CD1-CB 4.2Å; L1024-I1059 HydrophobicContact CD1-CD1 4.37Å
1025Q88.6Confident73.6Confident18 Ų1873.7 Ų73.78%0.08441%0.411CS..EExtended strand (participates in β ladder)trans-133.5152.5176.1-47.8-177.5-12.200111.4H1023 F1033 I1034 F1057 R1058 F1070H1023-Q1025 PolarHBondContact CE1-NE2 3.05Å; Q1025-F1033 HydrophobicContact CB-CB 3.96Å; Q1025-F1033 HydrophobicContact CB-CD1 4.35Å; Q1025-I1034 CarbonylContact C-O 3.52Å; Q1025-I1034 WeakPolarHBondContact CA-O 3.34Å; Q1025-I1034 WeakPolarHBondContact CB-O 3.14Å; Q1025-F1057 CarbonylContact O-C 3.52Å; Q1025-F1057 VanDerWaalsContact O-CA 3.25Å; Q1025-F1057 WeakPolarHBondContact O-CA 3.48Å; Q1025-R1058 HydrophobicContact CB-CG 4.16Å; Q1025-R1058 PolarHBondContact N-O 2.93Å; Q1025-R1058 PolarHBondContact O-N 3.26Å; Q1025-R1058 VanDerWaalsContact OE1-CZ 3.31Å; Q1025-F1070 HydrophobicContact CG-CE1 4.37Å
1026M86.9Confident75.2Confident41 Ų4169.6 Ų69.620%0.20238%0.384CS..EExtended strand (participates in β ladder)trans-120.3136.1176.6-179.7-17875.900110.4F1033 I1034 L1036 V1046 T1056 F1057M1026-F1033 CarbonylContact O-C 3.54Å; M1026-F1033 WeakPolarHBondContact O-CA 3.35Å; M1026-I1034 PolarHBondContact N-O 2.88Å; M1026-I1034 PolarHBondContact O-N 2.86Å; M1026-L1036 HydrophobicContact CB-CD1 3.62Å; M1026-L1036 HydrophobicContact CB-CD2 4.25Å; M1026-L1036 HydrophobicContact CB-CG 3.77Å; M1026-L1036 HydrophobicContact CE-CD2 4.48Å; M1026-L1036 HydrophobicContact CG-CD1 4.44Å; M1026-L1036 HydrophobicContact SD-CD1 4.23Å; M1026-V1046 HydrophobicContact SD-CG1 4.4Å; M1026-T1056 CarbonylContact C-O 3.58Å; M1026-T1056 VanDerWaalsContact CA-O 3.28Å; M1026-T1056 WeakPolarHBondContact CA-O 3.49Å; M1026-T1056 VanDerWaalsContact CG-O 3.3Å; M1026-T1056 WeakPolarHBondContact CG-O 3.32Å; M1026-F1057 HydrophobicContact CB-CD1 3.67Å; M1026-F1057 HydrophobicContact CB-CE1 3.69Å; M1026-F1057 HydrophobicContact CG-CD1 3.78Å; M1026-F1057 HydrophobicContact CG-CE1 3.41Å; M1026-F1057 VanDerWaalsContact CG-CE1 3.41Å; M1026-F1057 HydrophobicContact CG-CZ 3.93Å; M1026-F1057 HydrophobicContact SD-CE1 3.61Å; M1026-F1057 HydrophobicContact SD-CZ 3.89Å
1027G82.9Confident76.8Confident6 Ų668 Ų686%0.06237%0.37CS..EExtended strand (participates in β ladder)trans-77.9137.417600000112.4R1032 T1056G1027-R1032 WeakPolarHBondContact CA-O 3.13Å; G1027-T1056 WeakPolarHBondContact CA-OG1 3.41Å; G1027-T1056 PolarHBondContact N-O 2.8Å
1028D76.2Confident78.4Confident60 Ų6067.4 Ų67.432%0.32135%0.353SS..  trans-87.8-178167.970.726.8000112.3S1030 G1031 R1032 I1034D1028-S1030 PolarHBondContact O-N 3Å; D1028-S1030 VanDerWaalsContact OD1-CA 3.3Å; D1028-S1030 WeakPolarHBondContact OD1-CA 3.23Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.46Å; D1028-S1030 PolarHBondContact OD1-N 2.84Å; D1028-S1030 PolarHBondContact OD1-OG 2.89Å; D1028-G1031 PolarHBondContact O-N 3.18Å; D1028-G1031 VanDerWaalsContact O-N 3.1Å; D1028-G1031 PolarHBondContact OD1-N 2.89Å; D1028-R1032 PolarHBondContact N-O 2.85Å; D1028-R1032 PolarHBondContact OD1-N 2.86Å; D1028-I1034 HydrophobicContact CB-CD1 4.15Å
1029K67.3Low79.4Confident214 Ų21462.9 Ų62.993%0.9333%0.33SS*.THydrogen-bonded Turntrans-67-9.9179.3-67-172.9177.2-175.20114.5
1030S72.7Confident80.2Confident99 Ų9964.9 Ų64.969%0.69234%0.34SS*.THydrogen-bonded Turntrans-96.8-1.4174.374.90000113D1028 R1032D1028-S1030 PolarHBondContact O-N 3Å; D1028-S1030 VanDerWaalsContact OD1-CA 3.3Å; D1028-S1030 WeakPolarHBondContact OD1-CA 3.23Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.46Å; D1028-S1030 PolarHBondContact OD1-N 2.84Å; D1028-S1030 PolarHBondContact OD1-OG 2.89Å; S1030-R1032 VanDerWaalsContact C-N 3.3Å
1031G65.8Low80.6Confident51 Ų5165.5 Ų65.553%0.52635%0.345SS..SBendtrans82.33.3-17400000114D1028D1028-G1031 PolarHBondContact O-N 3.18Å; D1028-G1031 VanDerWaalsContact O-N 3.1Å; D1028-G1031 PolarHBondContact OD1-N 2.89Å
1032R79.6Confident80.6Confident182 Ų18262.9 Ų62.969%0.68733%0.333SS*.PPolyproline II helixtrans-79.3131177.6-172.7179.5-176173.93.1110.2G1027 D1028 S1030G1027-R1032 WeakPolarHBondContact CA-O 3.13Å; D1028-R1032 PolarHBondContact N-O 2.85Å; D1028-R1032 PolarHBondContact OD1-N 2.86Å; S1030-R1032 VanDerWaalsContact C-N 3.3Å
1033F82.1Confident80.4Confident51 Ų5164.9 Ų64.922%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-87122.2177.5-72.5-84.7000111.8Q1025 M1026 R1058 V1073Q1025-F1033 HydrophobicContact CB-CB 3.96Å; Q1025-F1033 HydrophobicContact CB-CD1 4.35Å; M1026-F1033 CarbonylContact O-C 3.54Å; M1026-F1033 WeakPolarHBondContact O-CA 3.35Å; F1033-R1058 HydrophobicContact CD1-CB 4.49Å; F1033-R1058 HydrophobicContact CD1-CG 3.7Å; F1033-R1058 HydrophobicContact CE1-CB 4.26Å; F1033-R1058 HydrophobicContact CE1-CG 3.94Å; F1033-R1058 HydrophobicContact CG-CG 4.15Å; F1033-V1073 HydrophobicContact CE1-CG1 4.12Å; F1033-V1073 HydrophobicContact CE1-CG2 4.31Å; F1033-V1073 HydrophobicContact CE2-CG2 4.29Å; F1033-V1073 HydrophobicContact CZ-CB 4.38Å; F1033-V1073 HydrophobicContact CZ-CG1 3.81Å; F1033-V1073 HydrophobicContact CZ-CG2 3.57Å
1034I82.6Confident80.3Confident86 Ų8666.6 Ų66.644%0.44136%0.356SS..EExtended strand (participates in β ladder)trans-104132.4179.4-56.9175.5000108.7Q1025 M1026 D1028 L1036Q1025-I1034 CarbonylContact C-O 3.52Å; Q1025-I1034 WeakPolarHBondContact CA-O 3.34Å; Q1025-I1034 WeakPolarHBondContact CB-O 3.14Å; M1026-I1034 PolarHBondContact N-O 2.88Å; M1026-I1034 PolarHBondContact O-N 2.86Å; D1028-I1034 HydrophobicContact CB-CD1 4.15Å; I1034-L1036 PolarHBondContact O-N 2.63Å
1035S82.9Confident80.2Confident69 Ų6971.6 Ų71.648%0.48338%0.378SS..EExtended strand (participates in β ladder)trans-65.2122.7179.9-171.60000111.9H1023H1023-S1035 PolarHBondContact NE2-OG 3.39Å
1036L83.2Confident80Confident51 Ų5171.5 Ų71.527%0.26738%0.378SS..EExtended strand (participates in β ladder)trans-99.8-30.7173.4-68.9-167.1000113L1024 M1026 I1034 V1046 F1057L1024-L1036 HydrophobicContact CD2-CB 4.21Å; L1024-L1036 HydrophobicContact CD2-CD1 4.4Å; L1024-L1036 HydrophobicContact CG-CB 4.49Å; L1024-L1036 PolarHBondContact O-N 2.96Å; M1026-L1036 HydrophobicContact CB-CD1 3.62Å; M1026-L1036 HydrophobicContact CB-CD2 4.25Å; M1026-L1036 HydrophobicContact CB-CG 3.77Å; M1026-L1036 HydrophobicContact CE-CD2 4.48Å; M1026-L1036 HydrophobicContact CG-CD1 4.44Å; M1026-L1036 HydrophobicContact SD-CD1 4.23Å; I1034-L1036 PolarHBondContact O-N 2.63Å; L1036-V1046 HydrophobicContact CD1-CG2 4.34Å; L1036-F1057 HydrophobicContact CD1-CD1 4.26Å; L1036-F1057 HydrophobicContact CD1-CE1 3.94Å
1037Y84.6Confident79.8Confident52 Ų5274.6 Ų74.620%0.20439%0.392CS..EExtended strand (participates in β ladder)trans-161.2136.9-176.7179.3-100.9000112W1007 H1023 L1024 G1039 C1041W1007-Y1037 HydrophobicContact CH2-CD1 4.17Å; W1007-Y1037 AromaticContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CE1 4.12Å; W1007-Y1037 HydrophobicContact CZ2-CG 4.49Å; H1023-Y1037 CarbonylContact C-O 3.55Å; H1023-Y1037 WeakPolarHBondContact CA-O 3.4Å; H1023-Y1037 PolarHBondContact CD2-O 3.16Å; L1024-Y1037 PolarHBondContact N-O 2.95Å; L1024-Y1037 PolarHBondContact O-N 3.15Å; Y1037-G1039 WeakPolarHBondContact CE1-O 3.05Å; Y1037-G1039 WeakPolarHBondContact OH-CA 3.43Å; Y1037-C1041 HydrophobicContact CE1-CB 3.91Å; Y1037-C1041 HydrophobicContact CE2-CB 4.24Å; Y1037-C1041 VanDerWaalsContact OH-CB 3.25Å; Y1037-C1041 WeakPolarHBondContact OH-CB 3.4Å; Y1037-C1041 PolarHBondContact OH-N 3.09Å; Y1037-C1041 PolarHBondContact OH-SG 2.96Å; Y1037-C1041 VanDerWaalsContact OH-SG 3.37Å
1038K83.1Confident79.7Confident98 Ų9885.2 Ų85.243%0.42643%0.431SS..EExtended strand (participates in β ladder)trans-132.3133.7164.4-169.3166.8-171.9168.20109.1Y1022 H1023 F1062 E1067Y1022-K1038 CarbonylContact O-C 3.56Å; Y1022-K1038 VanDerWaalsContact O-CA 3.26Å; Y1022-K1038 WeakPolarHBondContact O-CA 3.5Å; H1023-K1038 HydrophobicContact CB-CB 4.37Å; H1023-K1038 HydrophobicContact CB-CD 4.15Å; H1023-K1038 HydrophobicContact CB-CG 3.95Å; K1038-F1062 HydrophobicContact CD-CE1 4.31Å; K1038-F1062 HydrophobicContact CD-CZ 4.36Å; K1038-F1062 HydrophobicContact CG-CE1 4.12Å; K1038-F1062 HydrophobicContact CG-CZ 4.25Å; K1038-E1067 IonicContact NZ-OE1 3.17Å; K1038-E1067 PolarHBondContact NZ-OE1 3.06Å
1039G78.8Confident80Confident8 Ų882.9 Ų82.98%0.08242%0.418CS..EExtended strand (participates in β ladder)trans141-168.6-177.400000114.3Y1022 Y1037Y1022-G1039 PolarHBondContact N-O 2.89Å; Y1022-G1039 PolarHBondContact O-N 2.98Å; Y1037-G1039 WeakPolarHBondContact CE1-O 3.05Å; Y1037-G1039 WeakPolarHBondContact OH-CA 3.43Å
1040P77.6Confident80.5Confident83 Ų8377.7 Ų77.754%0.53940%0.4SS..SBendtrans-87.50.6-171.134.6-37.4000115.9H1042P1040-H1042 PolarHBondContact O-CE1 3.06Å; P1040-H1042 PolarHBondContact O-ND1 3.04Å
1041C78.4Confident80.8Confident65 Ų6574.2 Ų74.244%0.43937%0.373SS..  trans-74.8156-179.9-650000112.6W1007 Y1037W1007-C1041 VanDerWaalsContact CE2-O 3.24Å; W1007-C1041 VanDerWaalsContact CZ2-O 3.23Å; W1007-C1041 WeakPolarHBondContact CZ2-O 3.44Å; W1007-C1041 PolarHBondContact NE1-O 3.4Å; Y1037-C1041 HydrophobicContact CE1-CB 3.91Å; Y1037-C1041 HydrophobicContact CE2-CB 4.24Å; Y1037-C1041 VanDerWaalsContact OH-CB 3.25Å; Y1037-C1041 WeakPolarHBondContact OH-CB 3.4Å; Y1037-C1041 PolarHBondContact OH-N 3.09Å; Y1037-C1041 PolarHBondContact OH-SG 2.96Å; Y1037-C1041 VanDerWaalsContact OH-SG 3.37Å
1042H78.5Confident81.3Confident32 Ų3274.8 Ų74.815%0.14837%0.369CS..  trans-115.13.6-170.8-7067.5000114.2K1006 W1007 G1010 Y1022 P1040K1006-H1042 CarbonylContact C-O 3.5Å; K1006-H1042 WeakPolarHBondContact CA-O 3.41Å; W1007-H1042 PolarHBondContact N-O 3.24Å; W1007-H1042 WeakPolarHBondContact O-CB 3.41Å; W1007-H1042 PolarHBondContact O-CD2 2.79Å; G1010-H1042 PolarHBondContact O-NE2 2.67Å; Y1022-H1042 AromaticContact CE2-CE1 3.79Å; Y1022-H1042 AromaticContact CE2-NE2 3.7Å; P1040-H1042 PolarHBondContact O-CE1 3.06Å; P1040-H1042 PolarHBondContact O-ND1 3.04Å
1043T82Confident81.3Confident73 Ų7368.1 Ų68.145%0.44835%0.349SS..EExtended strand (participates in β ladder)trans-149.5153.9-179.6640000112.8L1005 K1006L1005-T1043 CarbonylContact O-C 3.59Å; L1005-T1043 VanDerWaalsContact O-CA 3.27Å; L1005-T1043 WeakPolarHBondContact O-CA 3.37Å; L1005-T1043 WeakPolarHBondContact O-CB 3.25Å; K1006-T1043 HydrophobicContact CB-CG2 4.03Å; K1006-T1043 HydrophobicContact CG-CG2 3.94Å
1044H85.7Confident81.2Confident59 Ų5969.1 Ų69.127%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-152.4154.2176.1-167.890.2000112.3L1005 W1007 L1024L1005-H1044 PolarHBondContact N-O 2.81Å; L1005-H1044 PolarHBondContact O-N 3.39Å; W1007-H1044 HydrophobicContact CH2-CB 3.74Å; W1007-H1044 HydrophobicContact CZ3-CB 3.81Å; L1024-H1044 HydrophobicContact CD2-CB 4.43Å
1045K84.4Confident81.3Confident105 Ų10567.1 Ų67.146%0.45735%0.349SS..EExtended strand (participates in β ladder)trans-121.4121.5-178.7-171.9-163.2178.6-161.70111.6R1004 Q1047R1004-K1045 HydrophobicContact CG-CB 4.33Å; R1004-K1045 HydrophobicContact CG-CG 4.46Å; K1045-Q1047 HydrophobicContact CD-CG 4.05Å; K1045-Q1047 HydrophobicContact CG-CG 4.14Å; K1045-Q1047 VanDerWaalsContact NZ-CD 3.34Å
1046V84.5Confident81.5Confident16 Ų1665.8 Ų65.810%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-101.1138.8179.3-164.60000110T1002 L1003 L1005 M1026 L1036 L1049 F1057T1002-V1046 WeakPolarHBondContact CA-O 3.46Å; L1003-V1046 HydrophobicContact CB-CB 4.49Å; L1003-V1046 PolarHBondContact N-O 2.77Å; L1003-V1046 PolarHBondContact O-N 2.7Å; L1005-V1046 HydrophobicContact CD1-CG2 4.48Å; M1026-V1046 HydrophobicContact SD-CG1 4.4Å; L1036-V1046 HydrophobicContact CD1-CG2 4.34Å; V1046-L1049 HydrophobicContact CG1-CD2 3.98Å; V1046-F1057 HydrophobicContact CG2-CE1 4.14Å; V1046-F1057 HydrophobicContact CG2-CZ 4.33Å
1047Q82.9Confident81.7Confident106 Ų10663.3 Ų63.350%0.49533%0.326SS..EExtended strand (participates in β ladder)trans-143.5165.4-169.7-55.9-173.482.400111.5T1002 K1045T1002-Q1047 HydrophobicContact CG2-CB 4.29Å; T1002-Q1047 HydrophobicContact CG2-CG 4.14Å; K1045-Q1047 HydrophobicContact CD-CG 4.05Å; K1045-Q1047 HydrophobicContact CG-CG 4.14Å; K1045-Q1047 VanDerWaalsContact NZ-CD 3.34Å
1048R81.5Confident81.9Confident230 Ų23064 Ų6487%0.86833%0.328SS*.SBendtrans6345.8-174.8-60.4-179.4-73.2137.3-4.3112.9Q1001Q1001-R1048 PolarHBondContact O-N 3.08Å; Q1001-R1048 VanDerWaalsContact O-N 3.13Å
1049L81.8Confident82.2Confident11 Ų1159.4 Ų59.46%0.05831%0.308CS..PPolyproline II helixtrans-90.9161.1173.8-50.8179.9000110.5Q1001 L1003 V1046 Y1055 T1078Q1001-L1049 VanDerWaalsContact CA-O 3.32Å; Q1001-L1049 WeakPolarHBondContact CA-O 3.35Å; Q1001-L1049 WeakPolarHBondContact CB-O 3.18Å; Q1001-L1049 PolarHBondContact O-N 3.34Å; L1003-L1049 HydrophobicContact CB-CD1 4.09Å; L1003-L1049 HydrophobicContact CD1-CD1 3.65Å; L1003-L1049 HydrophobicContact CG-CD1 3.52Å; V1046-L1049 HydrophobicContact CG1-CD2 3.98Å; L1049-Y1055 HydrophobicContact CB-CE2 3.85Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.29Å; L1049-Y1055 HydrophobicContact CD1-CE2 4.18Å; L1049-Y1055 HydrophobicContact CD2-CD1 4.19Å; L1049-Y1055 HydrophobicContact CD2-CD2 4.33Å; L1049-Y1055 HydrophobicContact CD2-CE1 3.78Å; L1049-Y1055 HydrophobicContact CD2-CE2 3.94Å; L1049-Y1055 HydrophobicContact CD2-CG 4.45Å; L1049-Y1055 HydrophobicContact CG-CE2 4.2Å; L1049-T1078 HydrophobicContact CB-CG2 4.13Å; L1049-T1078 HydrophobicContact CD1-CG2 4.17Å
1050N78.9Confident82.5Confident104 Ų10459.5 Ų59.556%0.55631%0.306SS*.PPolyproline II helixtrans-94.3151.2176-67.1-27.2000110.4H1000 T1053 Y1055 T1078H1000-N1050 CarbonylContact O-C 3.59Å; N1050-T1053 WeakPolarHBondContact CB-OG1 3.45Å; N1050-T1053 WeakPolarHBondContact O-CB 3.4Å; N1050-Y1055 PolarHBondContact N-OH 3.33Å; N1050-T1078 PolarHBondContact O-OG1 3.08Å
1051E78.3Confident82.8Confident27 Ų2755.6 Ų55.613%0.12628%0.281CS..THydrogen-bonded Turntrans-62152.2172.658.9162.7-166.100112.3H1000 T1053 P1079 S1081 K1110H1000-E1051 HydrophobicContact CB-CB 4.15Å; H1000-E1051 PolarHBondContact O-N 2.85Å; E1051-T1053 PolarHBondContact O-N 2.89Å; E1051-T1053 VanDerWaalsContact O-N 3.11Å; E1051-T1053 PolarHBondContact O-OG1 2.9Å; E1051-P1079 WeakPolarHBondContact CA-O 3.45Å; E1051-P1079 WeakPolarHBondContact CB-O 3.43Å; E1051-S1081 VanDerWaalsContact OE2-CB 3.31Å; E1051-S1081 WeakPolarHBondContact OE2-CB 3.41Å; E1051-S1081 PolarHBondContact OE2-N 3.12Å; E1051-S1081 PolarHBondContact OE2-OG 3.36Å; E1051-K1110 WeakPolarHBondContact OE1-CD 3.44Å; E1051-K1110 WeakPolarHBondContact OE1-CE 3.42Å; E1051-K1110 IonicContact OE1-NZ 2.84Å; E1051-K1110 PolarHBondContact OE1-NZ 2.83Å
1052S76Confident82.8Confident62 Ų6254.1 Ų54.143%0.43427%0.267SS..THydrogen-bonded Turntrans5426.2178.3-160.70000115.3T1078 P1079S1052-T1078 WeakPolarHBondContact CA-O 3.12Å; S1052-T1078 PolarHBondContact N-O 3.4Å; S1052-T1078 VanDerWaalsContact N-O 3.08Å; S1052-T1078 PolarHBondContact N-OG1 3.39Å; S1052-T1078 VanDerWaalsContact N-OG1 3.16Å; S1052-P1079 PolarHBondContact N-O 3.03Å
1053T78.5Confident82.7Confident43 Ų4355.2 Ų55.226%0.26427%0.274SS..  trans-119138.3-171.3-55.90000111.8N1050 E1051 Y1055 T1077 T1078N1050-T1053 WeakPolarHBondContact CB-OG1 3.45Å; N1050-T1053 WeakPolarHBondContact O-CB 3.4Å; E1051-T1053 PolarHBondContact O-N 2.89Å; E1051-T1053 VanDerWaalsContact O-N 3.11Å; E1051-T1053 PolarHBondContact O-OG1 2.9Å; T1053-Y1055 HydrophobicContact CG2-CD2 4.5Å; T1053-Y1055 HydrophobicContact CG2-CE1 4.45Å; T1053-Y1055 HydrophobicContact CG2-CE2 3.71Å; T1053-Y1055 WeakPolarHBondContact O-CE2 3.08Å; T1053-T1077 WeakPolarHBondContact O-CA 3.43Å; T1053-T1078 PolarHBondContact N-OG1 2.88Å; T1053-T1078 PolarHBondContact O-N 3.13Å; T1053-T1078 VanDerWaalsContact O-N 3.17Å; T1053-T1078 PolarHBondContact O-OG1 3.31Å
1054S81.6Confident82Confident72 Ų7259 Ų5950%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-99.2145.1-179.1-55.50000112.9F1076 T1077S1054-F1076 CarbonylContact C-O 3.58Å; S1054-F1076 WeakPolarHBondContact CA-O 3.22Å; S1054-T1077 WeakPolarHBondContact OG-CG2 3.39Å; S1054-T1077 PolarHBondContact OG-OG1 3.22Å
1055Y83.3Confident80.9Confident43 Ų4357.4 Ų57.417%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-137.8144.7-177-61.2-91.3000111.1L1049 N1050 T1053 T1075 F1076L1049-Y1055 HydrophobicContact CB-CE2 3.85Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.29Å; L1049-Y1055 HydrophobicContact CD1-CE2 4.18Å; L1049-Y1055 HydrophobicContact CD2-CD1 4.19Å; L1049-Y1055 HydrophobicContact CD2-CD2 4.33Å; L1049-Y1055 HydrophobicContact CD2-CE1 3.78Å; L1049-Y1055 HydrophobicContact CD2-CE2 3.94Å; L1049-Y1055 HydrophobicContact CD2-CG 4.45Å; L1049-Y1055 HydrophobicContact CG-CE2 4.2Å; N1050-Y1055 PolarHBondContact N-OH 3.33Å; T1053-Y1055 HydrophobicContact CG2-CD2 4.5Å; T1053-Y1055 HydrophobicContact CG2-CE1 4.45Å; T1053-Y1055 HydrophobicContact CG2-CE2 3.71Å; T1053-Y1055 WeakPolarHBondContact O-CE2 3.08Å; Y1055-T1075 WeakPolarHBondContact O-CA 3.15Å; Y1055-F1076 PolarHBondContact N-O 2.75Å; Y1055-F1076 PolarHBondContact O-N 3.49Å
1056T87.1Confident80Confident41 Ų4153.9 Ų53.925%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-116.9150.8-171.5580000113.8M1026 G1027 V1073 Y1074 T1075M1026-T1056 CarbonylContact C-O 3.58Å; M1026-T1056 VanDerWaalsContact CA-O 3.28Å; M1026-T1056 WeakPolarHBondContact CA-O 3.49Å; M1026-T1056 VanDerWaalsContact CG-O 3.3Å; M1026-T1056 WeakPolarHBondContact CG-O 3.32Å; G1027-T1056 WeakPolarHBondContact CA-OG1 3.41Å; G1027-T1056 PolarHBondContact N-O 2.8Å; T1056-V1073 HydrophobicContact CG2-CG1 4.39Å; T1056-Y1074 CarbonylContact C-O 3.59Å; T1056-Y1074 WeakPolarHBondContact CA-O 3.17Å; T1056-T1075 HydrophobicContact CG2-CG2 4.14Å
1057F88.8Confident79.5Confident0 Ų058.5 Ų58.50%030%0.298CS..EExtended strand (participates in β ladder)trans-149152.6-172.3-56.3-91000113.5L993 L1005 Q1025 M1026 L1036 V1046 V1073 Y1074 F1076L993-F1057 HydrophobicContact CD2-CB 3.57Å; L993-F1057 HydrophobicContact CD2-CG 4.49Å; L1005-F1057 HydrophobicContact CD1-CD1 3.61Å; L1005-F1057 HydrophobicContact CD1-CD2 4.19Å; L1005-F1057 HydrophobicContact CD1-CE1 3.69Å; L1005-F1057 HydrophobicContact CD1-CE2 4.27Å; L1005-F1057 HydrophobicContact CD1-CG 3.88Å; L1005-F1057 HydrophobicContact CD1-CZ 4.04Å; Q1025-F1057 CarbonylContact O-C 3.52Å; Q1025-F1057 VanDerWaalsContact O-CA 3.25Å; Q1025-F1057 WeakPolarHBondContact O-CA 3.48Å; M1026-F1057 HydrophobicContact CB-CD1 3.67Å; M1026-F1057 HydrophobicContact CB-CE1 3.69Å; M1026-F1057 HydrophobicContact CG-CD1 3.78Å; M1026-F1057 HydrophobicContact CG-CE1 3.41Å; M1026-F1057 VanDerWaalsContact CG-CE1 3.41Å; M1026-F1057 HydrophobicContact CG-CZ 3.93Å; M1026-F1057 HydrophobicContact SD-CE1 3.61Å; M1026-F1057 HydrophobicContact SD-CZ 3.89Å; L1036-F1057 HydrophobicContact CD1-CD1 4.26Å; L1036-F1057 HydrophobicContact CD1-CE1 3.94Å; V1046-F1057 HydrophobicContact CG2-CE1 4.14Å; V1046-F1057 HydrophobicContact CG2-CZ 4.33Å; F1057-V1073 CarbonylContact O-C 3.57Å; F1057-V1073 WeakPolarHBondContact O-CA 3.38Å; F1057-Y1074 PolarHBondContact N-O 3.44Å; F1057-Y1074 PolarHBondContact O-N 3.01Å; F1057-F1076 AromaticContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CE2 4.16Å; F1057-F1076 AromaticContact CE2-CD2 3.88Å; F1057-F1076 HydrophobicContact CE2-CD2 3.88Å
1058R88.1Confident79.1Confident67 Ų6753.6 Ų53.625%0.25328%0.276SS..EExtended strand (participates in β ladder)trans-148.2159.8172.371.6179.6-174.2168.81.6112.6Q1025 F1033 F1070Q1025-R1058 HydrophobicContact CB-CG 4.16Å; Q1025-R1058 PolarHBondContact N-O 2.93Å; Q1025-R1058 PolarHBondContact O-N 3.26Å; Q1025-R1058 VanDerWaalsContact OE1-CZ 3.31Å; F1033-R1058 HydrophobicContact CD1-CB 4.49Å; F1033-R1058 HydrophobicContact CD1-CG 3.7Å; F1033-R1058 HydrophobicContact CE1-CB 4.26Å; F1033-R1058 HydrophobicContact CE1-CG 3.94Å; F1033-R1058 HydrophobicContact CG-CG 4.15Å; R1058-F1070 HydrophobicContact CG-CD1 4.21Å
1059I88.7Confident78.9Confident0 Ų046.7 Ų46.70%026%0.261CS..EExtended strand (participates in β ladder)trans-147.1144-175-171.8162.1000114P991 L993 W1007 H1023 L1024 S1071P991-I1059 HydrophobicContact CG-CD1 3.89Å; P991-I1059 HydrophobicContact CG-CG1 3.97Å; P991-I1059 HydrophobicContact CG-CG2 3.94Å; P991-I1059 WeakPolarHBondContact O-CG2 3.22Å; L993-I1059 HydrophobicContact CB-CG2 4.46Å; W1007-I1059 HydrophobicContact CB-CD1 3.94Å; W1007-I1059 HydrophobicContact CD2-CD1 3.56Å; W1007-I1059 HydrophobicContact CE3-CD1 4.34Å; W1007-I1059 HydrophobicContact CG-CD1 3.34Å; H1023-I1059 VanDerWaalsContact O-CA 3.26Å; H1023-I1059 WeakPolarHBondContact O-CA 3.43Å; L1024-I1059 HydrophobicContact CB-CD1 4.28Å; L1024-I1059 HydrophobicContact CD1-CB 4.2Å; L1024-I1059 HydrophobicContact CD1-CD1 4.37Å; I1059-S1071 PolarHBondContact N-OG 3.3Å; I1059-S1071 VanDerWaalsContact O-CB 3.24Å; I1059-S1071 WeakPolarHBondContact O-CB 3.43Å; I1059-S1071 PolarHBondContact O-N 2.84Å; I1059-S1071 PolarHBondContact O-OG 2.85Å
1060Q86.5Confident78.9Confident10 Ų1049.6 Ų49.65%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-125.2171.7170.673.8175.323.600113.3Y1022 H1023 E1067 G1068 F1070Y1022-Q1060 CarbonylContact C-O 3.54Å; Y1022-Q1060 VanDerWaalsContact CA-O 3.31Å; Y1022-Q1060 WeakPolarHBondContact CA-O 3.44Å; H1023-Q1060 HydrophobicContact CB-CG 3.96Å; H1023-Q1060 PolarHBondContact N-O 2.86Å; H1023-Q1060 PolarHBondContact O-N 2.7Å; Q1060-E1067 PolarHBondContact NE2-OE2 3Å; Q1060-G1068 PolarHBondContact OE1-O 3.32Å; Q1060-F1070 HydrophobicContact CB-CB 4.46Å; Q1060-F1070 HydrophobicContact CB-CD1 3.68Å; Q1060-F1070 HydrophobicContact CB-CE1 3.98Å; Q1060-F1070 HydrophobicContact CB-CG 4.01Å; Q1060-F1070 HydrophobicContact CG-CD1 3.96Å; Q1060-F1070 HydrophobicContact CG-CE1 3.71Å; Q1060-F1070 HydrophobicContact CG-CG 4.46Å; Q1060-F1070 HydrophobicContact CG-CZ 4.01Å; Q1060-F1070 VanDerWaalsContact OE1-CZ 3.24Å
1061A82.7Confident79Confident1 Ų145.4 Ų45.41%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-130.1155177.500000112.2P988 Q1021 Y1022 G1068P988-A1061 HydrophobicContact CB-CB 4.36Å; P988-A1061 HydrophobicContact CG-CB 4.07Å; Q1021-A1061 CarbonylContact O-C 3.43Å; Q1021-A1061 WeakPolarHBondContact O-CA 3.31Å; Y1022-A1061 HydrophobicContact CD1-CB 3.85Å; Y1022-A1061 HydrophobicContact CE1-CB 3.88Å; A1061-G1068 VanDerWaalsContact O-CA 3.29Å; A1061-G1068 WeakPolarHBondContact O-CA 3.48Å; A1061-G1068 PolarHBondContact O-N 2.86Å
1062F79.1Confident79.1Confident35 Ų3548.4 Ų48.415%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-150.3152.5-179.960.9-80.6000114.3P1020 Q1021 K1038 G1066 E1067P1020-F1062 WeakPolarHBondContact CA-O 3.26Å; Q1021-F1062 HydrophobicContact CB-CD1 3.97Å; Q1021-F1062 HydrophobicContact CB-CD2 4.17Å; Q1021-F1062 HydrophobicContact CB-CE1 3.43Å; Q1021-F1062 VanDerWaalsContact CB-CE1 3.43Å; Q1021-F1062 HydrophobicContact CB-CE2 3.69Å; Q1021-F1062 HydrophobicContact CB-CG 4.3Å; Q1021-F1062 HydrophobicContact CB-CZ 3.28Å; Q1021-F1062 HydrophobicContact CG-CE2 4.25Å; Q1021-F1062 HydrophobicContact CG-CZ 4.17Å; Q1021-F1062 PolarHBondContact N-O 2.8Å; Q1021-F1062 VanDerWaalsContact N-O 3.1Å; Q1021-F1062 WeakPolarHBondContact O-CD1 3.35Å; Q1021-F1062 PolarHBondContact O-N 2.97Å; K1038-F1062 HydrophobicContact CD-CE1 4.31Å; K1038-F1062 HydrophobicContact CD-CZ 4.36Å; K1038-F1062 HydrophobicContact CG-CE1 4.12Å; K1038-F1062 HydrophobicContact CG-CZ 4.25Å; F1062-G1066 WeakPolarHBondContact CA-O 3.45Å; F1062-E1067 HydrophobicContact CB-CB 4.16Å; F1062-E1067 HydrophobicContact CB-CG 3.92Å; F1062-E1067 HydrophobicContact CG-CG 4.38Å
1063N75.8Confident79.5Confident54 Ų5449.1 Ų49.129%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-145.7-169.3-179.975-3000112.1L986 P988 A1065 G1066L986-N1063 PolarHBondContact O-ND2 2.85Å; L986-N1063 VanDerWaalsContact O-ND2 3.12Å; P988-N1063 HydrophobicContact CG-CB 4.35Å; N1063-A1065 PolarHBondContact O-N 3.21Å; N1063-A1065 VanDerWaalsContact O-N 3.16Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.34Å; N1063-A1065 PolarHBondContact OD1-N 2.98Å; N1063-G1066 PolarHBondContact N-O 2.76Å; N1063-G1066 VanDerWaalsContact N-O 3.09Å; N1063-G1066 PolarHBondContact O-N 2.9Å
1064E67.4Low79.7Confident152 Ų15249.6 Ų49.671%0.7128%0.275SS*.THydrogen-bonded Turntrans-62-16.4179-60.9-160.914200115.6
1065A62.4Low79.9Confident26 Ų2650 Ų5022%0.21528%0.275CS..THydrogen-bonded Turntrans-89.4-6.3174.800000113.1P985 P987 N1063P985-A1065 VanDerWaalsContact O-CB 3.3Å; P985-A1065 WeakPolarHBondContact O-CB 3.31Å; P987-A1065 HydrophobicContact CG-CB 4.14Å; N1063-A1065 PolarHBondContact O-N 3.21Å; N1063-A1065 VanDerWaalsContact O-N 3.16Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.34Å; N1063-A1065 PolarHBondContact OD1-N 2.98Å
1066G66.6Low79.9Confident32 Ų3250 Ų5033%0.3328%0.275SS..EExtended strand (participates in β ladder)trans131.8-173.4174.400000114.8F1062 N1063F1062-G1066 WeakPolarHBondContact CA-O 3.45Å; N1063-G1066 PolarHBondContact N-O 2.76Å; N1063-G1066 VanDerWaalsContact N-O 3.09Å; N1063-G1066 PolarHBondContact O-N 2.9Å
1067E74.5Confident79.5Confident112 Ų11251.5 Ų51.552%0.52329%0.285SS..EExtended strand (participates in β ladder)trans-79.3128.8169.7-61.7-153147.600111.1K1038 Q1060 F1062K1038-E1067 IonicContact NZ-OE1 3.17Å; K1038-E1067 PolarHBondContact NZ-OE1 3.06Å; Q1060-E1067 PolarHBondContact NE2-OE2 3Å; F1062-E1067 HydrophobicContact CB-CB 4.16Å; F1062-E1067 HydrophobicContact CB-CG 3.92Å; F1062-E1067 HydrophobicContact CG-CG 4.38Å
1068G73.4Confident79.1Confident4 Ų451.8 Ų51.84%0.04129%0.287CS..PPolyproline II helixtrans-86.4164.6173.100000112.4P988 Q1060 A1061P988-G1068 WeakPolarHBondContact O-CA 3.36Å; Q1060-G1068 PolarHBondContact OE1-O 3.32Å; A1061-G1068 VanDerWaalsContact O-CA 3.29Å; A1061-G1068 WeakPolarHBondContact O-CA 3.48Å; A1061-G1068 PolarHBondContact O-N 2.86Å
1069P77.5Confident78.5Confident85 Ų8551.2 Ų51.255%0.55229%0.291SS*.PPolyproline II helixtrans-69.3154.6-170.826.8-33.8000113.9P990P990-P1069 VanDerWaalsContact CB-O 3.31Å; P990-P1069 WeakPolarHBondContact CB-O 3.49Å; P990-P1069 WeakPolarHBondContact CD-O 3.39Å; P990-P1069 WeakPolarHBondContact CG-O 3.41Å
1070F80.8Confident77.9Confident72 Ų7256.2 Ų56.232%0.31631%0.31SS..PPolyproline II helixtrans-67146.4171.5-77.1-77.9000113.2Q1025 R1058 Q1060Q1025-F1070 HydrophobicContact CG-CE1 4.37Å; R1058-F1070 HydrophobicContact CG-CD1 4.21Å; Q1060-F1070 HydrophobicContact CB-CB 4.46Å; Q1060-F1070 HydrophobicContact CB-CD1 3.68Å; Q1060-F1070 HydrophobicContact CB-CE1 3.98Å; Q1060-F1070 HydrophobicContact CB-CG 4.01Å; Q1060-F1070 HydrophobicContact CG-CD1 3.96Å; Q1060-F1070 HydrophobicContact CG-CE1 3.71Å; Q1060-F1070 HydrophobicContact CG-CG 4.46Å; Q1060-F1070 HydrophobicContact CG-CZ 4.01Å; Q1060-F1070 VanDerWaalsContact OE1-CZ 3.24Å
1071S81.9Confident77.6Confident16 Ų1657 Ų5711%0.11232%0.317CS..PPolyproline II helixtrans-63.6162.416877.50000112.2I1059I1059-S1071 PolarHBondContact N-OG 3.3Å; I1059-S1071 VanDerWaalsContact O-CB 3.24Å; I1059-S1071 WeakPolarHBondContact O-CB 3.43Å; I1059-S1071 PolarHBondContact O-N 2.84Å; I1059-S1071 PolarHBondContact O-OG 2.85Å
1072S79.4Confident77.2Confident89 Ų8961 Ų6162%0.62234%0.343SS*.PPolyproline II helixtrans-56.6164.9156.952.60000112.2Y1074S1072-Y1074 WeakPolarHBondContact O-CD2 3.49Å; S1072-Y1074 WeakPolarHBondContact O-CE2 3.47Å
1073V84.9Confident77.1Confident78 Ų7859.8 Ų59.847%0.47334%0.339SS..PPolyproline II helixtrans-89.9132.3-175.8-176.70000110.9F1033 T1056 F1057F1033-V1073 HydrophobicContact CE1-CG1 4.12Å; F1033-V1073 HydrophobicContact CE1-CG2 4.31Å; F1033-V1073 HydrophobicContact CE2-CG2 4.29Å; F1033-V1073 HydrophobicContact CZ-CB 4.38Å; F1033-V1073 HydrophobicContact CZ-CG1 3.81Å; F1033-V1073 HydrophobicContact CZ-CG2 3.57Å; T1056-V1073 HydrophobicContact CG2-CG1 4.39Å; F1057-V1073 CarbonylContact O-C 3.57Å; F1057-V1073 WeakPolarHBondContact O-CA 3.38Å
1074Y83.6Confident77.1Confident52 Ų5260.3 Ų60.320%0.20435%0.345CS..EExtended strand (participates in β ladder)trans-106.5146.7178.5-64.2-102.4000110.6L993 T1056 F1057 S1072L993-Y1074 HydrophobicContact CB-CD1 4.17Å; L993-Y1074 HydrophobicContact CB-CD2 3.82Å; L993-Y1074 HydrophobicContact CB-CE1 4.11Å; L993-Y1074 HydrophobicContact CB-CE2 3.77Å; L993-Y1074 HydrophobicContact CB-CG 4.02Å; L993-Y1074 HydrophobicContact CD2-CD2 3.99Å; L993-Y1074 HydrophobicContact CD2-CG 4.18Å; L993-Y1074 HydrophobicContact CG-CD2 4.45Å; L993-Y1074 HydrophobicContact CG-CG 4.46Å; L993-Y1074 PolarHBondContact N-OH 3.11Å; L993-Y1074 VanDerWaalsContact O-CD1 3.23Å; L993-Y1074 WeakPolarHBondContact O-CD1 3.35Å; L993-Y1074 WeakPolarHBondContact O-CE1 3.36Å; T1056-Y1074 CarbonylContact C-O 3.59Å; T1056-Y1074 WeakPolarHBondContact CA-O 3.17Å; F1057-Y1074 PolarHBondContact N-O 3.44Å; F1057-Y1074 PolarHBondContact O-N 3.01Å; S1072-Y1074 WeakPolarHBondContact O-CD2 3.49Å; S1072-Y1074 WeakPolarHBondContact O-CE2 3.47Å
1075T84.8Confident77.5Confident81 Ų8156.8 Ų56.850%0.49734%0.335SS..EExtended strand (participates in β ladder)trans-131.1135.8-176.7-51.90000111.6Y1055 T1056Y1055-T1075 WeakPolarHBondContact O-CA 3.15Å; T1056-T1075 HydrophobicContact CG2-CG2 4.14Å
1076F83.6Confident78.1Confident42 Ų4256.1 Ų56.118%0.18433%0.328CS..EExtended strand (participates in β ladder)trans-136.7146.6179.4-55.7-67.6000112C995 L1003 L1005 S1054 Y1055 F1057C995-F1076 HydrophobicContact CB-CD1 3.55Å; C995-F1076 HydrophobicContact CB-CD2 4.17Å; C995-F1076 HydrophobicContact CB-CE1 3.49Å; C995-F1076 VanDerWaalsContact CB-CE1 3.49Å; C995-F1076 HydrophobicContact CB-CE2 4.12Å; C995-F1076 HydrophobicContact CB-CG 3.91Å; C995-F1076 HydrophobicContact CB-CZ 3.8Å; L1003-F1076 HydrophobicContact CD1-CB 3.86Å; L1003-F1076 HydrophobicContact CD2-CB 4.33Å; L1005-F1076 HydrophobicContact CD2-CD2 3.74Å; L1005-F1076 HydrophobicContact CD2-CE2 3.55Å; L1005-F1076 HydrophobicContact CD2-CZ 4.33Å; S1054-F1076 CarbonylContact C-O 3.58Å; S1054-F1076 WeakPolarHBondContact CA-O 3.22Å; Y1055-F1076 PolarHBondContact N-O 2.75Å; Y1055-F1076 PolarHBondContact O-N 3.49Å; F1057-F1076 AromaticContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CE2 4.16Å; F1057-F1076 AromaticContact CE2-CD2 3.88Å; F1057-F1076 HydrophobicContact CE2-CD2 3.88Å
1077T79.3Confident78.5Confident73 Ų7360.8 Ų60.845%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-129.4146.7-171.2-49.80000112.2T1053 S1054T1053-T1077 WeakPolarHBondContact O-CA 3.43Å; S1054-T1077 WeakPolarHBondContact OG-CG2 3.39Å; S1054-T1077 PolarHBondContact OG-OG1 3.22Å
1078T80.8Confident78.6Confident7 Ų757.8 Ų57.84%0.04333%0.334CS..  trans-97151-179.654.20000113.6S999 L1049 N1050 S1052 T1053S999-T1078 WeakPolarHBondContact O-CG2 3.29Å; L1049-T1078 HydrophobicContact CB-CG2 4.13Å; L1049-T1078 HydrophobicContact CD1-CG2 4.17Å; N1050-T1078 PolarHBondContact O-OG1 3.08Å; S1052-T1078 WeakPolarHBondContact CA-O 3.12Å; S1052-T1078 PolarHBondContact N-O 3.4Å; S1052-T1078 VanDerWaalsContact N-O 3.08Å; S1052-T1078 PolarHBondContact N-OG1 3.39Å; S1052-T1078 VanDerWaalsContact N-OG1 3.16Å; T1053-T1078 PolarHBondContact N-OG1 2.88Å; T1053-T1078 PolarHBondContact O-N 3.13Å; T1053-T1078 VanDerWaalsContact O-N 3.17Å; T1053-T1078 PolarHBondContact O-OG1 3.31Å
1079P75.4Confident79Confident54 Ų5457.8 Ų57.835%0.35133%0.333SS..  trans-79.8175.9177.531.8-36.9000114.9F998 H1000 E1051 S1052F998-P1079 HydrophobicContact CD2-CG 4.23Å; F998-P1079 HydrophobicContact CE2-CG 4.42Å; H1000-P1079 HydrophobicContact CB-CG 4.33Å; H1000-P1079 WeakPolarHBondContact CB-O 3.16Å; E1051-P1079 WeakPolarHBondContact CA-O 3.45Å; E1051-P1079 WeakPolarHBondContact CB-O 3.43Å; S1052-P1079 PolarHBondContact N-O 3.03Å
1080R76.6Confident79Confident105 Ų10560.4 Ų60.440%0.39634%0.336SS..  trans-95.3176.2-179.8-66.9-175.9177.7-151.85.8114.1D1112R1080-D1112 IonicContact NH1-OD1 2.9Å; R1080-D1112 IonicContact NH1-OD2 2.65Å; R1080-D1112 PolarHBondContact NH1-OD2 3.1Å
1081S78.3Confident78.9Confident27 Ų2758.5 Ų58.519%0.18933%0.33CS..  trans-122.7150.3-173.554.20000116.7E1051 R1157 L1165E1051-S1081 VanDerWaalsContact OE2-CB 3.31Å; E1051-S1081 WeakPolarHBondContact OE2-CB 3.41Å; E1051-S1081 PolarHBondContact OE2-N 3.12Å; E1051-S1081 PolarHBondContact OE2-OG 3.36Å; S1081-R1157 PolarHBondContact O-NH1 2.88Å; S1081-L1165 WeakPolarHBondContact O-CD1 3.33Å
1082P74.8Confident78.4Confident85 Ų8563.6 Ų63.655%0.55235%0.352SS*.PPolyproline II helixtrans-87.4168.3-179.736-37.2000115.1M1109 L1165P1082-M1109 WeakPolarHBondContact O-CE 3.29Å; P1082-L1165 HydrophobicContact CB-CB 4.13Å
1083P77.6Confident77.9Confident10 Ų1064.3 Ų64.37%0.06534%0.341CS..PPolyproline II helixtrans-90.1164.4-173.937.3-38.4000115.9M1109 R1157 L1165P1083-M1109 HydrophobicContact CB-CE 4.47Å; P1083-M1109 HydrophobicContact CB-CG 4.33Å; P1083-R1157 HydrophobicContact CB-CB 4.14Å; P1083-R1157 HydrophobicContact CG-CB 3.88Å; P1083-L1165 WeakPolarHBondContact CD-O 3.49Å; P1083-L1165 VanDerWaalsContact CG-O 3.25Å; P1083-L1165 WeakPolarHBondContact CG-O 3.22Å
1084P75.4Confident76.9Confident64 Ų6465.3 Ų65.342%0.41634%0.343SS..PPolyproline II helixtrans-84.6166-179.534.3-35.6000114.9L1106P1084-L1106 HydrophobicContact CG-CD1 4.16Å; P1084-L1106 WeakPolarHBondContact O-CD1 3.25Å
1085P75Confident75.8Confident79 Ų7967.8 Ų67.851%0.51336%0.36SS..PPolyproline II helixtrans-68158.4177.322.9-31.4000115.5P1168P1085-P1168 HydrophobicContact CB-CG 4.02Å; P1085-P1168 HydrophobicContact CG-CG 4.34Å
1086V76.3Confident74.8Confident11 Ų1171.1 Ų71.17%0.06737%0.37CS..PPolyproline II helixtrans-101.9159.3177.3-1690000111L1106 Y1116 V1153 A1155 S1170V1086-L1106 HydrophobicContact CG2-CD1 4Å; V1086-L1106 HydrophobicContact CG2-CG 4.4Å; V1086-Y1116 HydrophobicContact CG2-CD1 4.26Å; V1086-Y1116 HydrophobicContact CG2-CE1 4.17Å; V1086-V1153 HydrophobicContact CB-CG1 4.3Å; V1086-V1153 HydrophobicContact CG1-CG1 3.94Å; V1086-A1155 HydrophobicContact CG2-CB 3.44Å; V1086-A1155 VanDerWaalsContact CG2-CB 3.44Å; V1086-S1170 WeakPolarHBondContact O-CB 3.48Å
1087K74.9Confident74.1Confident131 Ų13173 Ų7357%0.5738%0.382SS*.PPolyproline II helixtrans-76.3170.9171.6-56.9-174.7-156.7148.60111.9E1104 S1170K1087-E1104 WeakPolarHBondContact CD-OE2 3.39Å; K1087-E1104 WeakPolarHBondContact CE-OE2 3.29Å; K1087-E1104 IonicContact NZ-OE1 2.77Å; K1087-E1104 PolarHBondContact NZ-OE1 2.93Å; K1087-E1104 IonicContact NZ-OE2 2.74Å; K1087-E1104 PolarHBondContact NZ-OE2 2.94Å; K1087-S1170 WeakPolarHBondContact O-CB 3.18Å; K1087-S1170 PolarHBondContact O-OG 3.21Å
1088A77.1Confident73.7Confident48 Ų4869.8 Ų69.840%0.39736%0.362SS..PPolyproline II helixtrans-71.4145.3178.700000112P1171A1088-P1171 HydrophobicContact CB-CB 4.08Å; A1088-P1171 HydrophobicContact CB-CG 4.41Å
1089P80.8Confident73.7Confident4 Ų469.4 Ų69.43%0.02636%0.36CS..PPolyproline II helixtrans-78.1153.3179.132.5-35000112.7V1101 T1102 W1103 F1151 V1173P1089-V1101 HydrophobicContact CB-CG1 3.9Å; P1089-V1101 HydrophobicContact CG-CG1 4.44Å; P1089-T1102 CarbonylContact C-O 3.54Å; P1089-T1102 WeakPolarHBondContact CA-O 3.33Å; P1089-T1102 WeakPolarHBondContact CB-O 3.24Å; P1089-W1103 HydrophobicContact CB-CB 4.32Å; P1089-W1103 HydrophobicContact CB-CE3 4.49Å; P1089-F1151 HydrophobicContact CG-CB 4.34Å; P1089-V1173 VanDerWaalsContact O-CG2 3.23Å; P1089-V1173 WeakPolarHBondContact O-CG2 3.44Å
1090K76.7Confident73.9Confident141 Ų14170 Ų7061%0.61336%0.358SS*.EExtended strand (participates in β ladder)trans-89.1159.2165.9-65.8-179174.7-175.20110.6V1101 T1102K1090-V1101 CarbonylContact O-C 3.44Å; K1090-V1101 VanDerWaalsContact O-CA 3.29Å; K1090-V1101 WeakPolarHBondContact O-CA 3.31Å; K1090-V1101 WeakPolarHBondContact O-CG1 3.27Å; K1090-T1102 PolarHBondContact N-O 2.82Å; K1090-T1102 PolarHBondContact O-N 3.15Å
1091V79.1Confident74.3Confident31 Ų3165 Ų6519%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-135127.8174.2-175.20000108.8C1099 E1100 V1101 F1151 V1173 L1175V1091-C1099 HydrophobicContact CG1-CB 4.07Å; V1091-E1100 CarbonylContact C-O 3.42Å; V1091-E1100 WeakPolarHBondContact CA-O 3.12Å; V1091-V1101 HydrophobicContact CG1-CG2 4.39Å; V1091-V1101 HydrophobicContact CG2-CG1 4.29Å; V1091-V1101 HydrophobicContact CG2-CG2 4.21Å; V1091-F1151 HydrophobicContact CG1-CE2 4.39Å; V1091-F1151 HydrophobicContact CG2-CD2 3.74Å; V1091-F1151 HydrophobicContact CG2-CE2 4.24Å; V1091-F1151 HydrophobicContact CG2-CG 4.47Å; V1091-V1173 HydrophobicContact CB-CG1 4.48Å; V1091-V1173 HydrophobicContact CG2-CG1 3.84Å; V1091-L1175 HydrophobicContact CG1-CD2 4.38Å
1092E72.2Confident74.2Confident123 Ų12365.8 Ų65.858%0.57534%0.343SS*.EExtended strand (participates in β ladder)trans-124.2136.2177.7-68.1179.9-166.500109.6C1099 E1100E1092-C1099 CarbonylContact O-C 3.55Å; E1092-C1099 VanDerWaalsContact O-CA 3.29Å; E1092-C1099 WeakPolarHBondContact O-CA 3.48Å; E1092-C1099 VanDerWaalsContact O-CB 3.32Å; E1092-C1099 WeakPolarHBondContact O-CB 3.42Å; E1092-E1100 PolarHBondContact N-O 2.78Å; E1092-E1100 PolarHBondContact O-N 3.42Å
1093R68.1Low74.7Confident104 Ų10462.6 Ų62.639%0.39232%0.32SS..EExtended strand (participates in β ladder)trans-91133.8-175.8-167.3-179.6-155.9128.215110.2D1095 E1096 S1176R1093-D1095 VanDerWaalsContact CG-O 3.29Å; R1093-D1095 WeakPolarHBondContact CG-O 3.34Å; R1093-D1095 PolarHBondContact NE-O 2.85Å; R1093-E1096 PolarHBondContact NH2-O 2.77Å; R1093-S1176 PolarHBondContact NH1-O 3.36Å
1094L64.1Low75Confident99 Ų9967.1 Ų67.152%0.51834%0.34SS..EExtended strand (participates in β ladder)trans-105.4-55.7179.1-71158.9000110S1098 E1100 H1139L1094-S1098 WeakPolarHBondContact CB-OG 3.41Å; L1094-S1098 PolarHBondContact N-O 2.95Å; L1094-E1100 HydrophobicContact CD1-CB 4.01Å; L1094-H1139 VanDerWaalsContact CD1-CE1 3.46Å; L1094-H1139 WeakPolarHBondContact CD1-CE1 3.3Å; L1094-H1139 VanDerWaalsContact CD1-ND1 3.31Å; L1094-H1139 WeakPolarHBondContact CD1-ND1 3.48Å
1095D61.3Low75.2Confident105 Ų10566.9 Ų66.956%0.56134%0.344SS*.EExtended strand (participates in β ladder)trans-124.4-177.4178.3-47.4-70.6000112.3R1093 N1097 S1098R1093-D1095 VanDerWaalsContact CG-O 3.29Å; R1093-D1095 WeakPolarHBondContact CG-O 3.34Å; R1093-D1095 PolarHBondContact NE-O 2.85Å; D1095-N1097 PolarHBondContact O-N 3.48Å; D1095-S1098 WeakPolarHBondContact CB-OG 3.45Å; D1095-S1098 VanDerWaalsContact CG-OG 3.29Å; D1095-S1098 PolarHBondContact N-O 2.83Å; D1095-S1098 PolarHBondContact N-OG 2.87Å; D1095-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å
1096E62.4Low75.4Confident151 Ų15165.4 Ų65.471%0.70633%0.331SS*.THydrogen-bonded Turntrans-58.4-38.3169.9-63-163.8144.600111.9R1093 Q1177R1093-E1096 PolarHBondContact NH2-O 2.77Å; E1096-Q1177 PolarHBondContact O-NE2 2.82Å
1097N68.9Low75.4Confident81 Ų8170 Ų7043%0.43336%0.361SS..THydrogen-bonded Turntrans-111.816-173.8-63.91.2000114.1D1095 N1142 L1143D1095-N1097 PolarHBondContact O-N 3.48Å; N1097-N1142 PolarHBondContact O-N 3.23Å; N1097-N1142 VanDerWaalsContact O-N 3.17Å; N1097-L1143 PolarHBondContact O-N 2.91Å
1098S71.8Confident75.3Confident5 Ų569.4 Ų69.44%0.03536%0.363CS..EExtended strand (participates in β ladder)trans-143.7150-177.181.70000114.2L1094 D1095 V1140L1094-S1098 WeakPolarHBondContact CB-OG 3.41Å; L1094-S1098 PolarHBondContact N-O 2.95Å; D1095-S1098 WeakPolarHBondContact CB-OG 3.45Å; D1095-S1098 VanDerWaalsContact CG-OG 3.29Å; D1095-S1098 PolarHBondContact N-O 2.83Å; D1095-S1098 PolarHBondContact N-OG 2.87Å; D1095-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å; S1098-V1140 WeakPolarHBondContact CA-O 3.29Å
1099C80.6Confident75.2Confident0 Ų069.2 Ų69.20%036%0.355CS..EExtended strand (participates in β ladder)trans-149.9155.7171.2690000112V1091 E1092 V1140 L1143 L1175V1091-C1099 HydrophobicContact CG1-CB 4.07Å; E1092-C1099 CarbonylContact O-C 3.55Å; E1092-C1099 VanDerWaalsContact O-CA 3.29Å; E1092-C1099 WeakPolarHBondContact O-CA 3.48Å; E1092-C1099 VanDerWaalsContact O-CB 3.32Å; E1092-C1099 WeakPolarHBondContact O-CB 3.42Å; C1099-V1140 PolarHBondContact N-O 3.17Å; C1099-V1140 PolarHBondContact O-N 2.73Å; C1099-L1143 HydrophobicContact CB-CD1 4.08Å; C1099-L1175 HydrophobicContact CB-CD2 3.96Å
1100E80.7Confident74.6Confident66 Ų6676.8 Ų76.831%0.30839%0.387SS..EExtended strand (participates in β ladder)trans-107.1142.7169.2-174.2168.1-171.900111.1V1091 E1092 L1094 T1102 S1137V1091-E1100 CarbonylContact C-O 3.42Å; V1091-E1100 WeakPolarHBondContact CA-O 3.12Å; E1092-E1100 PolarHBondContact N-O 2.78Å; E1092-E1100 PolarHBondContact O-N 3.42Å; L1094-E1100 HydrophobicContact CD1-CB 4.01Å; E1100-T1102 HydrophobicContact CG-CG2 4.17Å; E1100-S1137 WeakPolarHBondContact OE1-CB 3.24Å; E1100-S1137 PolarHBondContact OE1-OG 2.85Å
1101V83.3Confident74.1Confident0 Ų072.1 Ų72.10%038%0.38CS..EExtended strand (participates in β ladder)trans-121.3128.8-177.2-174.40000109P1089 K1090 V1091 W1103 L1118 S1137 F1138 V1140 F1151P1089-V1101 HydrophobicContact CB-CG1 3.9Å; P1089-V1101 HydrophobicContact CG-CG1 4.44Å; K1090-V1101 CarbonylContact O-C 3.44Å; K1090-V1101 VanDerWaalsContact O-CA 3.29Å; K1090-V1101 WeakPolarHBondContact O-CA 3.31Å; K1090-V1101 WeakPolarHBondContact O-CG1 3.27Å; V1091-V1101 HydrophobicContact CG1-CG2 4.39Å; V1091-V1101 HydrophobicContact CG2-CG1 4.29Å; V1091-V1101 HydrophobicContact CG2-CG2 4.21Å; V1101-W1103 HydrophobicContact CG1-CE3 4.43Å; V1101-W1103 HydrophobicContact CG1-CZ3 4.34Å; V1101-W1103 WeakPolarHBondContact O-CZ3 3.24Å; V1101-L1118 HydrophobicContact CB-CD2 4.43Å; V1101-L1118 HydrophobicContact CG1-CD1 4Å; V1101-L1118 HydrophobicContact CG1-CD2 4.28Å; V1101-S1137 CarbonylContact O-C 3.54Å; V1101-S1137 VanDerWaalsContact O-CA 3.23Å; V1101-S1137 WeakPolarHBondContact O-CA 3.25Å; V1101-F1138 PolarHBondContact N-O 2.86Å; V1101-F1138 PolarHBondContact O-N 3Å; V1101-V1140 HydrophobicContact CG2-CG2 4.08Å; V1101-F1151 HydrophobicContact CG1-CB 4.14Å; V1101-F1151 HydrophobicContact CG1-CD1 4.39Å; V1101-F1151 HydrophobicContact CG1-CG 4.22Å; V1101-F1151 HydrophobicContact CG2-CD1 3.87Å; V1101-F1151 HydrophobicContact CG2-CD2 4.21Å; V1101-F1151 HydrophobicContact CG2-CE1 3.85Å; V1101-F1151 HydrophobicContact CG2-CE2 4.18Å; V1101-F1151 HydrophobicContact CG2-CG 4.06Å; V1101-F1151 HydrophobicContact CG2-CZ 4Å
1102T78.1Confident74.1Confident43 Ų4370.8 Ų70.826%0.26437%0.372SS..EExtended strand (participates in β ladder)trans-132.5147.8-171.473.70000113.4P1089 K1090 E1100 T1136P1089-T1102 CarbonylContact C-O 3.54Å; P1089-T1102 WeakPolarHBondContact CA-O 3.33Å; P1089-T1102 WeakPolarHBondContact CB-O 3.24Å; K1090-T1102 PolarHBondContact N-O 2.82Å; K1090-T1102 PolarHBondContact O-N 3.15Å; E1100-T1102 HydrophobicContact CG-CG2 4.17Å; T1102-T1136 CarbonylContact C-O 3.45Å; T1102-T1136 VanDerWaalsContact CA-O 3.32Å; T1102-T1136 WeakPolarHBondContact CA-O 3.32Å
1103W84.9Confident74.2Confident19 Ų1967.7 Ų67.77%0.07236%0.362CS..  trans-148.2165.418057.589.6000113.4P1089 V1101 Y1116 L1118 F1131 A1135 T1136 F1138 V1153P1089-W1103 HydrophobicContact CB-CB 4.32Å; P1089-W1103 HydrophobicContact CB-CE3 4.49Å; V1101-W1103 HydrophobicContact CG1-CE3 4.43Å; V1101-W1103 HydrophobicContact CG1-CZ3 4.34Å; V1101-W1103 WeakPolarHBondContact O-CZ3 3.24Å; W1103-Y1116 AromaticContact CD1-CG 3.97Å; W1103-Y1116 AromaticContact NE1-CD1 3.88Å; W1103-Y1116 AromaticContact NE1-CD2 3.66Å; W1103-Y1116 AromaticContact NE1-CG 3.32Å; W1103-Y1116 VanDerWaalsContact NE1-CG 3.32Å; W1103-L1118 HydrophobicContact CE3-CD1 4Å; W1103-L1118 HydrophobicContact CH2-CB 3.97Å; W1103-L1118 HydrophobicContact CH2-CD1 4.31Å; W1103-L1118 HydrophobicContact CH2-CD2 4.01Å; W1103-L1118 HydrophobicContact CH2-CG 4.32Å; W1103-L1118 HydrophobicContact CZ3-CB 4.25Å; W1103-L1118 HydrophobicContact CZ3-CD1 3.73Å; W1103-L1118 HydrophobicContact CZ3-CD2 3.77Å; W1103-L1118 HydrophobicContact CZ3-CG 4.12Å; W1103-F1131 AromaticContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CE1 4.26Å; W1103-F1131 AromaticContact CZ2-CD1 3.82Å; W1103-F1131 HydrophobicContact CZ2-CD1 3.82Å; W1103-F1131 AromaticContact CZ2-CE1 3.87Å; W1103-F1131 HydrophobicContact CZ2-CE1 3.87Å; W1103-A1135 WeakPolarHBondContact CZ2-O 3.36Å; W1103-A1135 PolarHBondContact NE1-O 2.83Å; W1103-T1136 PolarHBondContact N-O 2.95Å; W1103-T1136 WeakPolarHBondContact O-CB 3.44Å; W1103-F1138 HydrophobicContact CH2-CB 3.96Å; W1103-F1138 HydrophobicContact CZ3-CB 4.22Å; W1103-V1153 HydrophobicContact CB-CG1 4.09Å; W1103-V1153 HydrophobicContact CD2-CG2 4.13Å; W1103-V1153 HydrophobicContact CG-CG1 4.05Å; W1103-V1153 HydrophobicContact CG-CG2 4.26Å; W1103-V1153 HydrophobicContact CZ2-CG2 4.46Å
1104E82.9Confident74.8Confident105 Ų10563.4 Ų63.449%0.49135%0.347SS..PPolyproline II helixtrans-88.9139.2-175.5-171.9178.2173.800112K1087K1087-E1104 WeakPolarHBondContact CD-OE2 3.39Å; K1087-E1104 WeakPolarHBondContact CE-OE2 3.29Å; K1087-E1104 IonicContact NZ-OE1 2.77Å; K1087-E1104 PolarHBondContact NZ-OE1 2.93Å; K1087-E1104 IonicContact NZ-OE2 2.74Å; K1087-E1104 PolarHBondContact NZ-OE2 2.94Å
1105A79.3Confident75.7Confident59 Ų5959.5 Ų59.549%0.48833%0.327SS..PPolyproline II helixtrans-85.8140.2178.800000112.8Y1116 T1136A1105-Y1116 WeakPolarHBondContact CA-OH 3.5Å; A1105-T1136 HydrophobicContact CB-CG2 3.83Å
1106L79Confident76.9Confident47 Ų4754.8 Ų54.825%0.24630%0.301CS..PPolyproline II helixtrans-86.6151.6167.5-63.9178.6000111.6P1084 V1086 V1114 Y1116 A1155P1084-L1106 HydrophobicContact CG-CD1 4.16Å; P1084-L1106 WeakPolarHBondContact O-CD1 3.25Å; V1086-L1106 HydrophobicContact CG2-CD1 4Å; V1086-L1106 HydrophobicContact CG2-CG 4.4Å; L1106-V1114 HydrophobicContact CB-CG1 4.38Å; L1106-Y1116 PolarHBondContact N-OH 2.85Å; L1106-A1155 HydrophobicContact CD1-CB 3.63Å
1107P76.3Confident77.9Confident108 Ų10847.6 Ų47.670%0.70127%0.267SS*.PPolyproline II helixtrans-74163.1174.931.6-36.2000113.4
1108L74.8Confident78.6Confident118 Ų11843.7 Ų43.762%0.61825%0.247SC*.PPolyproline II helixtrans-63.5133.8-178.3-59.3172.3000112.9K1110 P1113L1108-K1110 PolarHBondContact O-N 2.79Å; L1108-P1113 HydrophobicContact CD2-CB 4.49Å
1109M73.1Confident79.2Confident45 Ų4544.5 Ų44.522%0.22225%0.25CS..BIsolated β-bridgetrans-85.689.4179.6-73.5-78.6-70.900110.2P1082 P1083 G1111 D1112 V1114 R1157P1082-M1109 WeakPolarHBondContact O-CE 3.29Å; P1083-M1109 HydrophobicContact CB-CE 4.47Å; P1083-M1109 HydrophobicContact CB-CG 4.33Å; M1109-G1111 PolarHBondContact O-N 2.89Å; M1109-D1112 PolarHBondContact N-O 3.09Å; M1109-D1112 VanDerWaalsContact N-O 3.12Å; M1109-D1112 WeakPolarHBondContact O-CB 3.4Å; M1109-D1112 PolarHBondContact O-N 3.45Å; M1109-D1112 VanDerWaalsContact O-N 3.1Å; M1109-V1114 HydrophobicContact CG-CG2 4.18Å; M1109-R1157 HydrophobicContact CB-CG 4.06Å; M1109-R1157 HydrophobicContact CG-CG 4.46Å; M1109-R1157 PolarHBondContact O-NH2 3.4Å; M1109-R1157 VanDerWaalsContact O-NH2 3.16Å
1110K68.9Low79Confident162 Ų16245.4 Ų45.470%0.70426%0.256SS*.THydrogen-bonded Turntrans53.636.9-172.9-70.3-176.5173.3172.30113.6E1051 L1108 D1112E1051-K1110 WeakPolarHBondContact OE1-CD 3.44Å; E1051-K1110 WeakPolarHBondContact OE1-CE 3.42Å; E1051-K1110 IonicContact OE1-NZ 2.84Å; E1051-K1110 PolarHBondContact OE1-NZ 2.83Å; L1108-K1110 PolarHBondContact O-N 2.79Å; K1110-D1112 VanDerWaalsContact C-N 3.34Å
1111G65.8Low78.8Confident44 Ų4443 Ų4345%0.45425%0.245SC..THydrogen-bonded Turntrans87.9-8.5-17900000114.9M1109M1109-G1111 PolarHBondContact O-N 2.89Å
1112D79.2Confident78Confident3 Ų346 Ų462%0.01626%0.26CS..BIsolated β-bridgetrans-72.3131.4168.4-67.2-40000109.9R1080 M1109 K1110 R1157 Q1158 Q1160R1080-D1112 IonicContact NH1-OD1 2.9Å; R1080-D1112 IonicContact NH1-OD2 2.65Å; R1080-D1112 PolarHBondContact NH1-OD2 3.1Å; M1109-D1112 PolarHBondContact N-O 3.09Å; M1109-D1112 VanDerWaalsContact N-O 3.12Å; M1109-D1112 WeakPolarHBondContact O-CB 3.4Å; M1109-D1112 PolarHBondContact O-N 3.45Å; M1109-D1112 VanDerWaalsContact O-N 3.1Å; K1110-D1112 VanDerWaalsContact C-N 3.34Å; D1112-R1157 HydrophobicContact CB-CG 3.89Å; D1112-R1157 IonicContact OD2-CZ 2.78Å; D1112-R1157 IonicContact OD2-NE 3.54Å; D1112-R1157 PolarHBondContact OD2-NE 2.94Å; D1112-R1157 IonicContact OD2-NH2 3.8Å; D1112-R1157 PolarHBondContact OD2-NH2 3.25Å; D1112-Q1158 WeakPolarHBondContact CB-O 3.36Å; D1112-Q1160 PolarHBondContact OD1-N 3.01Å
1113P74.6Confident77.7Confident57 Ų5745.5 Ų45.537%0.3726%0.264SS..  trans-65.4149177.925-33.7000113.3L1108 Q1158L1108-P1113 HydrophobicContact CD2-CB 4.49Å; P1113-Q1158 VanDerWaalsContact CD-O 3.31Å; P1113-Q1158 WeakPolarHBondContact CD-O 3.38Å; P1113-Q1158 HydrophobicContact CG-CB 4.16Å; P1113-Q1158 PolarHBondContact O-N 3.41Å
1114V81.6Confident76.7Confident14 Ų1452 Ų529%0.08530%0.3CS..EExtended strand (participates in β ladder)trans-114.9122.4174.5-177.60000108.8L1106 M1109 Y1116 A1155 I1156L1106-V1114 HydrophobicContact CB-CG1 4.38Å; M1109-V1114 HydrophobicContact CG-CG2 4.18Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.31Å; V1114-A1155 HydrophobicContact CG1-CB 3.73Å; V1114-I1156 WeakPolarHBondContact CA-O 3.33Å
1115I81.8Confident76Confident17 Ų1749.6 Ų49.69%0.08730%0.295CS..EExtended strand (participates in β ladder)trans-115.2160.917763.2169.1000110.9K1132 A1155 I1156 Q1158I1115-K1132 VanDerWaalsContact CD1-CE 3.41Å; I1115-K1132 HydrophobicContact CD1-CG 4.41Å; I1115-A1155 CarbonylContact O-C 3.54Å; I1115-A1155 WeakPolarHBondContact O-CA 3.35Å; I1115-I1156 HydrophobicContact CG1-CB 4.1Å; I1115-I1156 PolarHBondContact N-O 3.23Å; I1115-I1156 PolarHBondContact O-N 3.07Å; I1115-Q1158 HydrophobicContact CD1-CG 4.13Å; I1115-Q1158 HydrophobicContact CG1-CG 4.43Å
1116Y87.4Confident75.7Confident6 Ų654.4 Ų54.42%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-112149.9-173.4-54.6-75.3000111.9V1086 W1103 A1105 L1106 V1114 K1132 G1133 C1154 A1155V1086-Y1116 HydrophobicContact CG2-CD1 4.26Å; V1086-Y1116 HydrophobicContact CG2-CE1 4.17Å; W1103-Y1116 AromaticContact CD1-CG 3.97Å; W1103-Y1116 AromaticContact NE1-CD1 3.88Å; W1103-Y1116 AromaticContact NE1-CD2 3.66Å; W1103-Y1116 AromaticContact NE1-CG 3.32Å; W1103-Y1116 VanDerWaalsContact NE1-CG 3.32Å; A1105-Y1116 WeakPolarHBondContact CA-OH 3.5Å; L1106-Y1116 PolarHBondContact N-OH 2.85Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.31Å; Y1116-K1132 CarbonylContact O-C 3.49Å; Y1116-K1132 VanDerWaalsContact O-CA 3.23Å; Y1116-K1132 WeakPolarHBondContact O-CA 3.22Å; Y1116-G1133 PolarHBondContact N-O 2.89Å; Y1116-G1133 PolarHBondContact O-N 2.82Å; Y1116-C1154 WeakPolarHBondContact CA-O 3.29Å; Y1116-A1155 HydrophobicContact CD1-CB 4.27Å; Y1116-A1155 HydrophobicContact CE1-CB 4.04Å
1117S82.4Confident75.7Confident0 Ų054.5 Ų54.50%031%0.306CS..EExtended strand (participates in β ladder)trans-124.2109.3169.3174.90000109.4Q1129 F1131 V1153 C1154S1117-Q1129 WeakPolarHBondContact OG-CG 3.42Å; S1117-Q1129 PolarHBondContact OG-OE1 3.31Å; S1117-F1131 CarbonylContact C-O 3.55Å; S1117-F1131 WeakPolarHBondContact CA-O 3.46Å; S1117-V1153 CarbonylContact O-C 3.58Å; S1117-V1153 VanDerWaalsContact O-CA 3.24Å; S1117-V1153 WeakPolarHBondContact O-CA 3.25Å; S1117-V1153 WeakPolarHBondContact O-CG2 3.45Å; S1117-C1154 PolarHBondContact N-O 2.94Å; S1117-C1154 PolarHBondContact O-N 3.15Å
1118L83.4Confident75.7Confident0 Ų056.4 Ų56.40%030%0.303CS..EExtended strand (participates in β ladder)trans-91.1134.4175.3-177.379.2000109.2V1101 W1103 Q1129 T1130 F1131 F1138 R1152 V1153V1101-L1118 HydrophobicContact CB-CD2 4.43Å; V1101-L1118 HydrophobicContact CG1-CD1 4Å; V1101-L1118 HydrophobicContact CG1-CD2 4.28Å; W1103-L1118 HydrophobicContact CE3-CD1 4Å; W1103-L1118 HydrophobicContact CH2-CB 3.97Å; W1103-L1118 HydrophobicContact CH2-CD1 4.31Å; W1103-L1118 HydrophobicContact CH2-CD2 4.01Å; W1103-L1118 HydrophobicContact CH2-CG 4.32Å; W1103-L1118 HydrophobicContact CZ3-CB 4.25Å; W1103-L1118 HydrophobicContact CZ3-CD1 3.73Å; W1103-L1118 HydrophobicContact CZ3-CD2 3.77Å; W1103-L1118 HydrophobicContact CZ3-CG 4.12Å; L1118-Q1129 CarbonylContact O-C 3.56Å; L1118-Q1129 WeakPolarHBondContact O-CA 3.46Å; L1118-T1130 PolarHBondContact O-N 2.88Å; L1118-F1131 HydrophobicContact CB-CB 4.12Å; L1118-F1131 HydrophobicContact CB-CD1 4.48Å; L1118-F1131 PolarHBondContact N-O 2.97Å; L1118-F1131 PolarHBondContact O-N 3.12Å; L1118-F1138 HydrophobicContact CD2-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CD1 4.32Å; L1118-R1152 WeakPolarHBondContact CA-O 3.25Å; L1118-R1152 WeakPolarHBondContact CD1-O 3.38Å; L1118-V1153 HydrophobicContact CB-CG2 4.48Å; L1118-V1153 HydrophobicContact CD1-CB 4.19Å
1119Q85.3Confident75.8Confident22 Ų2255.9 Ų55.910%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-121.1139.5173-52.5-174.2-25.200110.8F1127 K1128 Q1129 F1151 R1152 Y1169Q1119-F1127 HydrophobicContact CB-CB 4.04Å; Q1119-F1127 HydrophobicContact CB-CD1 4.17Å; Q1119-F1127 HydrophobicContact CB-CG 4.49Å; Q1119-K1128 CarbonylContact C-O 3.58Å; Q1119-K1128 WeakPolarHBondContact CA-O 3.44Å; Q1119-Q1129 HydrophobicContact CG-CB 4.34Å; Q1119-F1151 CarbonylContact O-C 3.6Å; Q1119-F1151 WeakPolarHBondContact O-CA 3.15Å; Q1119-R1152 HydrophobicContact CB-CG 4.17Å; Q1119-R1152 PolarHBondContact N-O 3.14Å; Q1119-R1152 PolarHBondContact O-N 2.96Å; Q1119-R1152 VanDerWaalsContact OE1-CZ 3.27Å; Q1119-Y1169 HydrophobicContact CG-CE1 3.93Å; Q1119-Y1169 PolarHBondContact NE2-OH 3.33Å; Q1119-Y1169 VanDerWaalsContact NE2-OH 3.11Å
1120S76.8Confident75.9Confident18 Ų1856.4 Ų56.413%0.12630%0.303CS..EExtended strand (participates in β ladder)trans-120.9161.2175.865.40000112.4K1128 T1130 R1150 F1151S1120-K1128 PolarHBondContact N-O 2.83Å; S1120-K1128 PolarHBondContact O-N 2.8Å; S1120-T1130 WeakPolarHBondContact CB-OG1 3.27Å; S1120-T1130 PolarHBondContact N-OG1 2.88Å; S1120-T1130 VanDerWaalsContact N-OG1 3.15Å; S1120-T1130 WeakPolarHBondContact OG-CG2 3.04Å; S1120-T1130 PolarHBondContact OG-OG1 3.27Å; S1120-R1150 CarbonylContact C-O 3.41Å; S1120-R1150 WeakPolarHBondContact CA-O 3.37Å; S1120-F1151 VanDerWaalsContact CB-CD1 3.46Å; S1120-F1151 VanDerWaalsContact CB-CE1 3.44Å
1121M76.4Confident76.5Confident17 Ų1750.4 Ų50.48%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-143.9146.1-177.5169.3-172.3-5800109S1125 F1127 Y1149 R1150M1121-S1125 VanDerWaalsContact CE-O 3.22Å; M1121-S1125 WeakPolarHBondContact CE-O 3.36Å; M1121-S1125 VanDerWaalsContact CG-O 3.25Å; M1121-S1125 WeakPolarHBondContact CG-O 3.49Å; M1121-S1125 VanDerWaalsContact SD-O 3.33Å; M1121-F1127 HydrophobicContact CB-CD1 4Å; M1121-F1127 HydrophobicContact CB-CE1 4.2Å; M1121-F1127 HydrophobicContact CE-CD1 3.94Å; M1121-F1127 HydrophobicContact CE-CD2 3.38Å; M1121-F1127 HydrophobicContact CE-CE1 3.94Å; M1121-F1127 HydrophobicContact CE-CE2 3.38Å; M1121-F1127 HydrophobicContact CE-CG 3.67Å; M1121-F1127 HydrophobicContact CE-CZ 3.67Å; M1121-Y1149 CarbonylContact O-C 3.6Å; M1121-Y1149 VanDerWaalsContact O-CA 3.29Å; M1121-Y1149 WeakPolarHBondContact O-CA 3.29Å; M1121-R1150 HydrophobicContact CB-CB 4.08Å; M1121-R1150 PolarHBondContact N-O 2.58Å; M1121-R1150 PolarHBondContact O-N 2.95Å; M1121-R1150 HydrophobicContact SD-CB 4.37Å; M1121-R1150 PolarHBondContact SD-NE 3.23Å; M1121-R1150 PolarHBondContact SD-NH2 2.94Å
1122M66.4Low77.2Confident61 Ų6152.2 Ų52.230%0.327%0.272SS..EExtended strand (participates in β ladder)trans-119123.1175-173.9-179.8-179.600109N1124 S1125 Q1144 S1147 Y1149M1122-N1124 PolarHBondContact O-N 2.79Å; M1122-S1125 PolarHBondContact N-OG 2.87Å; M1122-S1125 VanDerWaalsContact N-OG 3.09Å; M1122-S1125 WeakPolarHBondContact O-CB 3.46Å; M1122-S1125 PolarHBondContact O-N 2.87Å; M1122-S1125 VanDerWaalsContact O-N 3.15Å; M1122-S1125 PolarHBondContact O-OG 2.81Å; M1122-Q1144 HydrophobicContact CE-CB 3.83Å; M1122-Q1144 HydrophobicContact CE-CG 4.1Å; M1122-S1147 VanDerWaalsContact CE-CB 3.42Å; M1122-S1147 WeakPolarHBondContact CE-OG 3.49Å; M1122-Y1149 HydrophobicContact CB-CD1 4.04Å; M1122-Y1149 HydrophobicContact CB-CE1 3.84Å; M1122-Y1149 HydrophobicContact CE-CE2 4.4Å; M1122-Y1149 VanDerWaalsContact CE-OH 3.3Å; M1122-Y1149 WeakPolarHBondContact CE-OH 3.23Å; M1122-Y1149 HydrophobicContact CG-CD1 4.18Å; M1122-Y1149 HydrophobicContact CG-CE1 3.69Å; M1122-Y1149 HydrophobicContact CG-CE2 4.3Å; M1122-Y1149 HydrophobicContact SD-CE1 3.89Å; M1122-Y1149 PolarHBondContact SD-OH 3.08Å; M1122-Y1149 VanDerWaalsContact SD-OH 3.4Å
1123G71.8Confident77.3Confident34 Ų3452.9 Ų52.935%0.35128%0.28SS..THydrogen-bonded Turntrans55.3-122.8-17100000112.3D1148 R1150G1123-D1148 PolarHBondContact N-O 2.95Å; G1123-R1150 PolarHBondContact O-NH2 3.11Å
1124N62.7Low77.6Confident154 Ų15454.7 Ų54.782%0.82429%0.294SS*.THydrogen-bonded Turntrans-107.828.2177.2-78.9-23.3000113.4M1122 R1150M1122-N1124 PolarHBondContact O-N 2.79Å; N1124-R1150 PolarHBondContact OD1-NH2 3.39Å
1125S68.1Low77.4Confident55 Ų5556.1 Ų56.139%0.38531%0.307SS..SBendtrans-71.2174.1168.855.20000112.2M1121 M1122M1121-S1125 VanDerWaalsContact CE-O 3.22Å; M1121-S1125 WeakPolarHBondContact CE-O 3.36Å; M1121-S1125 VanDerWaalsContact CG-O 3.25Å; M1121-S1125 WeakPolarHBondContact CG-O 3.49Å; M1121-S1125 VanDerWaalsContact SD-O 3.33Å; M1122-S1125 PolarHBondContact N-OG 2.87Å; M1122-S1125 VanDerWaalsContact N-OG 3.09Å; M1122-S1125 WeakPolarHBondContact O-CB 3.46Å; M1122-S1125 PolarHBondContact O-N 2.87Å; M1122-S1125 VanDerWaalsContact O-N 3.15Å; M1122-S1125 PolarHBondContact O-OG 2.81Å
1126E74.4Confident77.3Confident161 Ų16158.2 Ų58.275%0.75232%0.321SS*.  trans-74155172-64.2-173.4155.700112.4K1128E1126-K1128 PolarHBondContact O-N 2.87Å
1127F78.3Confident76.9Confident49 Ų4960.2 Ų60.222%0.21534%0.335CS..  trans-66.2117.8170.2-78.3-73000111Q1119 M1121 R1152 T1172Q1119-F1127 HydrophobicContact CB-CB 4.04Å; Q1119-F1127 HydrophobicContact CB-CD1 4.17Å; Q1119-F1127 HydrophobicContact CB-CG 4.49Å; M1121-F1127 HydrophobicContact CB-CD1 4Å; M1121-F1127 HydrophobicContact CB-CE1 4.2Å; M1121-F1127 HydrophobicContact CE-CD1 3.94Å; M1121-F1127 HydrophobicContact CE-CD2 3.38Å; M1121-F1127 HydrophobicContact CE-CE1 3.94Å; M1121-F1127 HydrophobicContact CE-CE2 3.38Å; M1121-F1127 HydrophobicContact CE-CG 3.67Å; M1121-F1127 HydrophobicContact CE-CZ 3.67Å; F1127-R1152 HydrophobicContact CD1-CG 3.95Å; F1127-R1152 HydrophobicContact CE1-CB 4.36Å; F1127-R1152 HydrophobicContact CE1-CG 3.78Å; F1127-R1152 HydrophobicContact CZ-CG 4.2Å; F1127-T1172 HydrophobicContact CE1-CG2 3.94Å; F1127-T1172 HydrophobicContact CZ-CG2 3.71Å; F1127-T1172 WeakPolarHBondContact CZ-OG1 3.46Å
1128K76Confident76.9Confident148 Ų14863.2 Ų63.264%0.64335%0.349SS*.EExtended strand (participates in β ladder)trans-107.5138.2173.9-65-177.8-179.6-179.30110Q1119 S1120 E1126 T1130Q1119-K1128 CarbonylContact C-O 3.58Å; Q1119-K1128 WeakPolarHBondContact CA-O 3.44Å; S1120-K1128 PolarHBondContact N-O 2.83Å; S1120-K1128 PolarHBondContact O-N 2.8Å; E1126-K1128 PolarHBondContact O-N 2.87Å; K1128-T1130 PolarHBondContact O-N 3.37Å; K1128-T1130 VanDerWaalsContact O-N 3.14Å
1129Q76.9Confident76.7Confident107 Ų10766.4 Ų66.450%0.536%0.363SS..EExtended strand (participates in β ladder)trans-67.4111.1177.1-171.3-175.5-91.100110.2S1117 L1118 Q1119S1117-Q1129 WeakPolarHBondContact OG-CG 3.42Å; S1117-Q1129 PolarHBondContact OG-OE1 3.31Å; L1118-Q1129 CarbonylContact O-C 3.56Å; L1118-Q1129 WeakPolarHBondContact O-CA 3.46Å; Q1119-Q1129 HydrophobicContact CG-CB 4.34Å
1130T75.8Confident76.3Confident55 Ų5566.2 Ų66.234%0.33736%0.364SS..EExtended strand (participates in β ladder)trans-93.1-24.8179.360000112.5L1118 S1120 K1128L1118-T1130 PolarHBondContact O-N 2.88Å; S1120-T1130 WeakPolarHBondContact CB-OG1 3.27Å; S1120-T1130 PolarHBondContact N-OG1 2.88Å; S1120-T1130 VanDerWaalsContact N-OG1 3.15Å; S1120-T1130 WeakPolarHBondContact OG-CG2 3.04Å; S1120-T1130 PolarHBondContact OG-OG1 3.27Å; K1128-T1130 PolarHBondContact O-N 3.37Å; K1128-T1130 VanDerWaalsContact O-N 3.14Å
1131F81.3Confident76.1Confident37 Ų3771.2 Ų71.216%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-148144.1175.1170.5-95.9000111.1W1103 S1117 L1118 A1135 F1138W1103-F1131 AromaticContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CE1 4.26Å; W1103-F1131 AromaticContact CZ2-CD1 3.82Å; W1103-F1131 HydrophobicContact CZ2-CD1 3.82Å; W1103-F1131 AromaticContact CZ2-CE1 3.87Å; W1103-F1131 HydrophobicContact CZ2-CE1 3.87Å; S1117-F1131 CarbonylContact C-O 3.55Å; S1117-F1131 WeakPolarHBondContact CA-O 3.46Å; L1118-F1131 HydrophobicContact CB-CB 4.12Å; L1118-F1131 HydrophobicContact CB-CD1 4.48Å; L1118-F1131 PolarHBondContact N-O 2.97Å; L1118-F1131 PolarHBondContact O-N 3.12Å; F1131-A1135 HydrophobicContact CE1-CB 4.23Å; F1131-A1135 HydrophobicContact CE2-CB 4.39Å; F1131-A1135 HydrophobicContact CZ-CB 3.65Å; F1131-F1138 HydrophobicContact CB-CB 4.48Å; F1131-F1138 HydrophobicContact CB-CD1 4.15Å; F1131-F1138 HydrophobicContact CB-CD2 3.87Å; F1131-F1138 HydrophobicContact CB-CE1 4.35Å; F1131-F1138 HydrophobicContact CB-CE2 4.1Å; F1131-F1138 HydrophobicContact CB-CG 3.9Å; F1131-F1138 HydrophobicContact CB-CZ 4.32Å; F1131-F1138 AromaticContact CD2-CD2 3.5Å; F1131-F1138 HydrophobicContact CD2-CD2 3.5Å; F1131-F1138 AromaticContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CG 4.31Å; F1131-F1138 HydrophobicContact CE2-CD2 4.27Å; F1131-F1138 AromaticContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CE2 4.26Å; F1131-F1138 HydrophobicContact CG-CG 4.19Å
1132K81.4Confident75.8Confident82 Ų8277 Ų7736%0.35742%0.417SS..EExtended strand (participates in β ladder)trans-139128.7162.3179.9-177.4169.8-173.20109I1115 Y1116 E1164I1115-K1132 VanDerWaalsContact CD1-CE 3.41Å; I1115-K1132 HydrophobicContact CD1-CG 4.41Å; Y1116-K1132 CarbonylContact O-C 3.49Å; Y1116-K1132 VanDerWaalsContact O-CA 3.23Å; Y1116-K1132 WeakPolarHBondContact O-CA 3.22Å; K1132-E1164 IonicContact NZ-OE1 2.65Å; K1132-E1164 PolarHBondContact NZ-OE1 2.93Å; K1132-E1164 IonicContact NZ-OE2 2.76Å; K1132-E1164 PolarHBondContact NZ-OE2 3.18Å
1133G81.4Confident76.1Confident17 Ų1774.4 Ų74.418%0.17540%0.404CS..EExtended strand (participates in β ladder)trans164-174-17800000113.1Y1116Y1116-G1133 PolarHBondContact N-O 2.89Å; Y1116-G1133 PolarHBondContact O-N 2.82Å
1134S80.8Confident75.6Confident95 Ų9579 Ų7966%0.66442%0.416SS*.SBendtrans-83.2-10.9-177.149.20000114.9
1135A75.7Confident75.5Confident43 Ų4375.5 Ų75.536%0.35540%0.403SS..  trans-67.8154.5-179.100000112.8W1103 F1131W1103-A1135 WeakPolarHBondContact CZ2-O 3.36Å; W1103-A1135 PolarHBondContact NE1-O 2.83Å; F1131-A1135 HydrophobicContact CE1-CB 4.23Å; F1131-A1135 HydrophobicContact CE2-CB 4.39Å; F1131-A1135 HydrophobicContact CZ-CB 3.65Å
1136T80.9Confident75Confident62 Ų6278 Ų7838%0.3842%0.421SS..SBendtrans-109.3-3.2179.943.60000113.8T1102 W1103 A1105T1102-T1136 CarbonylContact C-O 3.45Å; T1102-T1136 VanDerWaalsContact CA-O 3.32Å; T1102-T1136 WeakPolarHBondContact CA-O 3.32Å; W1103-T1136 PolarHBondContact N-O 2.95Å; W1103-T1136 WeakPolarHBondContact O-CB 3.44Å; A1105-T1136 HydrophobicContact CB-CG2 3.83Å
1137S78.4Confident74.5Confident47 Ų4772.2 Ų72.233%0.32940%0.399SS..EExtended strand (participates in β ladder)trans-134157.6165.775.70000112E1100 V1101E1100-S1137 WeakPolarHBondContact OE1-CB 3.24Å; E1100-S1137 PolarHBondContact OE1-OG 2.85Å; V1101-S1137 CarbonylContact O-C 3.54Å; V1101-S1137 VanDerWaalsContact O-CA 3.23Å; V1101-S1137 WeakPolarHBondContact O-CA 3.25Å
1138F82.4Confident74.4Confident64 Ų6473 Ų7328%0.28141%0.405SS..EExtended strand (participates in β ladder)trans-149.4128.5175.2-168.8-105.4000111.1V1101 W1103 L1118 F1131 V1140V1101-F1138 PolarHBondContact N-O 2.86Å; V1101-F1138 PolarHBondContact O-N 3Å; W1103-F1138 HydrophobicContact CH2-CB 3.96Å; W1103-F1138 HydrophobicContact CZ3-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CD1 4.32Å; F1131-F1138 HydrophobicContact CB-CB 4.48Å; F1131-F1138 HydrophobicContact CB-CD1 4.15Å; F1131-F1138 HydrophobicContact CB-CD2 3.87Å; F1131-F1138 HydrophobicContact CB-CE1 4.35Å; F1131-F1138 HydrophobicContact CB-CE2 4.1Å; F1131-F1138 HydrophobicContact CB-CG 3.9Å; F1131-F1138 HydrophobicContact CB-CZ 4.32Å; F1131-F1138 AromaticContact CD2-CD2 3.5Å; F1131-F1138 HydrophobicContact CD2-CD2 3.5Å; F1131-F1138 AromaticContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CG 4.31Å; F1131-F1138 HydrophobicContact CE2-CD2 4.27Å; F1131-F1138 AromaticContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CE2 4.26Å; F1131-F1138 HydrophobicContact CG-CG 4.19Å; F1138-V1140 HydrophobicContact CD1-CG2 3.92Å; F1138-V1140 HydrophobicContact CE1-CG2 4.3Å
1139H78.8Confident74.4Confident67 Ų6767.1 Ų67.131%0.3138%0.379SS..EExtended strand (participates in β ladder)trans-91.7129.6179.7179.676.2000110.8L1094 Q1141L1094-H1139 VanDerWaalsContact CD1-CE1 3.46Å; L1094-H1139 WeakPolarHBondContact CD1-CE1 3.3Å; L1094-H1139 VanDerWaalsContact CD1-ND1 3.31Å; L1094-H1139 WeakPolarHBondContact CD1-ND1 3.48Å; H1139-Q1141 VanDerWaalsContact CD2-CG 3.43Å; H1139-Q1141 WeakPolarHBondContact CD2-CG 3.49Å; H1139-Q1141 PolarHBondContact CD2-NE2 2.85Å; H1139-Q1141 VanDerWaalsContact CD2-NE2 3.27Å; H1139-Q1141 WeakPolarHBondContact NE2-CG 3.31Å; H1139-Q1141 PolarHBondContact NE2-NE2 2.88Å
1140V78.2Confident74.6Confident17 Ų1765.8 Ų65.810%0.10337%0.369CS..EExtended strand (participates in β ladder)trans-116.4118.3-172.7-174.30000109S1098 C1099 V1101 F1138 L1143 F1151S1098-V1140 WeakPolarHBondContact CA-O 3.29Å; C1099-V1140 PolarHBondContact N-O 3.17Å; C1099-V1140 PolarHBondContact O-N 2.73Å; V1101-V1140 HydrophobicContact CG2-CG2 4.08Å; F1138-V1140 HydrophobicContact CD1-CG2 3.92Å; F1138-V1140 HydrophobicContact CE1-CG2 4.3Å; V1140-L1143 HydrophobicContact CG1-CD2 3.9Å; V1140-F1151 HydrophobicContact CG2-CE1 4.01Å; V1140-F1151 HydrophobicContact CG2-CZ 4.42Å
1141Q71.6Confident74.8Confident124 Ų12463.1 Ų63.158%0.57935%0.353SS*.EExtended strand (participates in β ladder)trans-111.5169-176.7-65.7-177.1-14.900111.9H1139 L1143H1139-Q1141 VanDerWaalsContact CD2-CG 3.43Å; H1139-Q1141 WeakPolarHBondContact CD2-CG 3.49Å; H1139-Q1141 PolarHBondContact CD2-NE2 2.85Å; H1139-Q1141 VanDerWaalsContact CD2-NE2 3.27Å; H1139-Q1141 WeakPolarHBondContact NE2-CG 3.31Å; H1139-Q1141 PolarHBondContact NE2-NE2 2.88Å; Q1141-L1143 VanDerWaalsContact C-N 3.31Å; Q1141-L1143 PolarHBondContact O-N 2.89Å
1142N70.4Confident74.9Confident139 Ų13964.7 Ų64.774%0.74336%0.358SS*.  trans61.336.6-179.9-52.7-60.7000113.2N1097 Q1144N1097-N1142 PolarHBondContact O-N 3.23Å; N1097-N1142 VanDerWaalsContact O-N 3.17Å; N1142-Q1144 PolarHBondContact O-N 2.77Å
1143L72.6Confident74.9Confident6 Ų660.8 Ų60.83%0.03134%0.341CS..PPolyproline II helixtrans-62.9126.2167.2-53.3177.6000108.4N1097 C1099 V1140 Q1141 Y1149 L1175N1097-L1143 PolarHBondContact O-N 2.91Å; C1099-L1143 HydrophobicContact CB-CD1 4.08Å; V1140-L1143 HydrophobicContact CG1-CD2 3.9Å; Q1141-L1143 VanDerWaalsContact C-N 3.31Å; Q1141-L1143 PolarHBondContact O-N 2.89Å; L1143-Y1149 WeakPolarHBondContact CA-OH 3.42Å; L1143-Y1149 HydrophobicContact CB-CE2 3.96Å; L1143-Y1149 HydrophobicContact CD2-CD1 4.01Å; L1143-Y1149 HydrophobicContact CD2-CD2 3.97Å; L1143-Y1149 HydrophobicContact CD2-CE1 3.87Å; L1143-Y1149 HydrophobicContact CD2-CE2 3.84Å; L1143-Y1149 HydrophobicContact CD2-CG 4.05Å; L1143-Y1149 HydrophobicContact CG-CE2 4.47Å; L1143-L1175 HydrophobicContact CD1-CD2 4.07Å
1144Q61.5Low74.9Confident130 Ų13060 Ų6061%0.60733%0.332SS*.PPolyproline II helixtrans-78.2136.6178-67.4-169.9-17.500110.6M1122 N1142 S1147 Y1149M1122-Q1144 HydrophobicContact CE-CB 3.83Å; M1122-Q1144 HydrophobicContact CE-CG 4.1Å; N1142-Q1144 PolarHBondContact O-N 2.77Å; Q1144-S1147 PolarHBondContact O-N 2.8Å; Q1144-Y1149 PolarHBondContact N-OH 2.8Å
1145S59.7Low75Confident80 Ų8055.4 Ų55.456%0.55930%0.301SS*.THydrogen-bonded Turntrans-63.6140.5174.443.20000111
1146S57.7Low75.2Confident108 Ų10853.8 Ų53.876%0.75529%0.286SS*.THydrogen-bonded Turntrans68.225.9-171.372.70000117.6
1147S65.3Low75.3Confident40 Ų4051 Ų5128%0.2827%0.269SS..  trans-130.9140.2172.5-76.70000114.4M1122 Q1144 Y1149M1122-S1147 VanDerWaalsContact CE-CB 3.42Å; M1122-S1147 WeakPolarHBondContact CE-OG 3.49Å; Q1144-S1147 PolarHBondContact O-N 2.8Å; S1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å
1148D75.7Confident75.1Confident66 Ų6652 Ų5235%0.35327%0.268SS..  trans-89143.2179.2-81.133000112.3G1123 L1175 S1176G1123-D1148 PolarHBondContact N-O 2.95Å; D1148-L1175 CarbonylContact C-O 3.58Å; D1148-L1175 WeakPolarHBondContact CA-O 3.43Å; D1148-S1176 VanDerWaalsContact CG-OG 3.22Å; D1148-S1176 VanDerWaalsContact OD1-CA 3.29Å; D1148-S1176 WeakPolarHBondContact OD1-CA 3.45Å; D1148-S1176 VanDerWaalsContact OD1-CB 3.25Å; D1148-S1176 WeakPolarHBondContact OD1-CB 3.37Å; D1148-S1176 PolarHBondContact OD1-OG 2.79Å; D1148-S1176 WeakPolarHBondContact OD2-CB 3.08Å; D1148-S1176 PolarHBondContact OD2-OG 3.21Å
1149Y74.9Confident74.5Confident24 Ų2449.2 Ų49.29%0.09426%0.256CS..EExtended strand (participates in β ladder)trans-124.3146-177.8-71.6-98.2000112.4M1121 M1122 L1143 Q1144 S1147 T1174 L1175M1121-Y1149 CarbonylContact O-C 3.6Å; M1121-Y1149 VanDerWaalsContact O-CA 3.29Å; M1121-Y1149 WeakPolarHBondContact O-CA 3.29Å; M1122-Y1149 HydrophobicContact CB-CD1 4.04Å; M1122-Y1149 HydrophobicContact CB-CE1 3.84Å; M1122-Y1149 HydrophobicContact CE-CE2 4.4Å; M1122-Y1149 VanDerWaalsContact CE-OH 3.3Å; M1122-Y1149 WeakPolarHBondContact CE-OH 3.23Å; M1122-Y1149 HydrophobicContact CG-CD1 4.18Å; M1122-Y1149 HydrophobicContact CG-CE1 3.69Å; M1122-Y1149 HydrophobicContact CG-CE2 4.3Å; M1122-Y1149 HydrophobicContact SD-CE1 3.89Å; M1122-Y1149 PolarHBondContact SD-OH 3.08Å; M1122-Y1149 VanDerWaalsContact SD-OH 3.4Å; L1143-Y1149 WeakPolarHBondContact CA-OH 3.42Å; L1143-Y1149 HydrophobicContact CB-CE2 3.96Å; L1143-Y1149 HydrophobicContact CD2-CD1 4.01Å; L1143-Y1149 HydrophobicContact CD2-CD2 3.97Å; L1143-Y1149 HydrophobicContact CD2-CE1 3.87Å; L1143-Y1149 HydrophobicContact CD2-CE2 3.84Å; L1143-Y1149 HydrophobicContact CD2-CG 4.05Å; L1143-Y1149 HydrophobicContact CG-CE2 4.47Å; Q1144-Y1149 PolarHBondContact N-OH 2.8Å; S1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å; Y1149-T1174 CarbonylContact O-C 3.54Å; Y1149-T1174 WeakPolarHBondContact O-CA 3.16Å; Y1149-L1175 PolarHBondContact N-O 2.91Å; Y1149-L1175 PolarHBondContact O-N 3.37Å
1150R82.4Confident73.9Confident78 Ų7853.6 Ų53.629%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-130145.5-178.9-86.8-174.3-72.2-171.2-6.1113S1120 M1121 G1123 N1124 T1172 V1173 T1174S1120-R1150 CarbonylContact C-O 3.41Å; S1120-R1150 WeakPolarHBondContact CA-O 3.37Å; M1121-R1150 HydrophobicContact CB-CB 4.08Å; M1121-R1150 PolarHBondContact N-O 2.58Å; M1121-R1150 PolarHBondContact O-N 2.95Å; M1121-R1150 HydrophobicContact SD-CB 4.37Å; M1121-R1150 PolarHBondContact SD-NE 3.23Å; M1121-R1150 PolarHBondContact SD-NH2 2.94Å; G1123-R1150 PolarHBondContact O-NH2 3.11Å; N1124-R1150 PolarHBondContact OD1-NH2 3.39Å; R1150-T1172 HydrophobicContact CB-CG2 3.79Å; R1150-T1172 HydrophobicContact CG-CG2 4.02Å; R1150-V1173 CarbonylContact C-O 3.52Å; R1150-V1173 WeakPolarHBondContact CA-O 3.2Å; R1150-T1174 HydrophobicContact CG-CG2 3.89Å; R1150-T1174 WeakPolarHBondContact CG-OG1 3.5Å
1151F79.7Confident73.4Confident0 Ų057.3 Ų57.30%030%0.296CS..EExtended strand (participates in β ladder)trans-139.6142.8-173.5-57.2-86.6000114.7P1089 V1091 V1101 Q1119 S1120 V1140 T1172 V1173P1089-F1151 HydrophobicContact CG-CB 4.34Å; V1091-F1151 HydrophobicContact CG1-CE2 4.39Å; V1091-F1151 HydrophobicContact CG2-CD2 3.74Å; V1091-F1151 HydrophobicContact CG2-CE2 4.24Å; V1091-F1151 HydrophobicContact CG2-CG 4.47Å; V1101-F1151 HydrophobicContact CG1-CB 4.14Å; V1101-F1151 HydrophobicContact CG1-CD1 4.39Å; V1101-F1151 HydrophobicContact CG1-CG 4.22Å; V1101-F1151 HydrophobicContact CG2-CD1 3.87Å; V1101-F1151 HydrophobicContact CG2-CD2 4.21Å; V1101-F1151 HydrophobicContact CG2-CE1 3.85Å; V1101-F1151 HydrophobicContact CG2-CE2 4.18Å; V1101-F1151 HydrophobicContact CG2-CG 4.06Å; V1101-F1151 HydrophobicContact CG2-CZ 4Å; Q1119-F1151 CarbonylContact O-C 3.6Å; Q1119-F1151 WeakPolarHBondContact O-CA 3.15Å; S1120-F1151 VanDerWaalsContact CB-CD1 3.46Å; S1120-F1151 VanDerWaalsContact CB-CE1 3.44Å; V1140-F1151 HydrophobicContact CG2-CE1 4.01Å; V1140-F1151 HydrophobicContact CG2-CZ 4.42Å; F1151-T1172 WeakPolarHBondContact O-CA 3.34Å; F1151-T1172 WeakPolarHBondContact O-CG2 3.19Å; F1151-V1173 PolarHBondContact N-O 3.34Å; F1151-V1173 PolarHBondContact O-N 3.08Å; F1151-V1173 VanDerWaalsContact O-N 3.07Å
1152R83.1Confident72.9Confident69 Ų6955.5 Ų55.526%0.2630%0.303SS..EExtended strand (participates in β ladder)trans-150159.1174.969.7177.1-174.7-177.3-1.3113.1L1118 Q1119 F1127 Y1169L1118-R1152 WeakPolarHBondContact CA-O 3.25Å; L1118-R1152 WeakPolarHBondContact CD1-O 3.38Å; Q1119-R1152 HydrophobicContact CB-CG 4.17Å; Q1119-R1152 PolarHBondContact N-O 3.14Å; Q1119-R1152 PolarHBondContact O-N 2.96Å; Q1119-R1152 VanDerWaalsContact OE1-CZ 3.27Å; F1127-R1152 HydrophobicContact CD1-CG 3.95Å; F1127-R1152 HydrophobicContact CE1-CB 4.36Å; F1127-R1152 HydrophobicContact CE1-CG 3.78Å; F1127-R1152 HydrophobicContact CZ-CG 4.2Å; R1152-Y1169 HydrophobicContact CG-CD1 4.46Å
1153V81.6Confident72.7Confident0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans-137.4147.9-176.471.50000114.5V1086 W1103 S1117 L1118 S1170V1086-V1153 HydrophobicContact CB-CG1 4.3Å; V1086-V1153 HydrophobicContact CG1-CG1 3.94Å; W1103-V1153 HydrophobicContact CB-CG1 4.09Å; W1103-V1153 HydrophobicContact CD2-CG2 4.13Å; W1103-V1153 HydrophobicContact CG-CG1 4.05Å; W1103-V1153 HydrophobicContact CG-CG2 4.26Å; W1103-V1153 HydrophobicContact CZ2-CG2 4.46Å; S1117-V1153 CarbonylContact O-C 3.58Å; S1117-V1153 VanDerWaalsContact O-CA 3.24Å; S1117-V1153 WeakPolarHBondContact O-CA 3.25Å; S1117-V1153 WeakPolarHBondContact O-CG2 3.45Å; L1118-V1153 HydrophobicContact CB-CG2 4.48Å; L1118-V1153 HydrophobicContact CD1-CB 4.19Å; V1153-S1170 WeakPolarHBondContact CG1-OG 3.08Å; V1153-S1170 PolarHBondContact N-OG 2.97Å; V1153-S1170 WeakPolarHBondContact O-CB 3.34Å; V1153-S1170 PolarHBondContact O-N 2.87Å; V1153-S1170 PolarHBondContact O-OG 3.25Å
1154C81Confident72.9Confident0 Ų055.8 Ų55.80%030%0.304CS..EExtended strand (participates in β ladder)trans-119.8168.2164.879.90000112.9Y1116 S1117 Y1169Y1116-C1154 WeakPolarHBondContact CA-O 3.29Å; S1117-C1154 PolarHBondContact N-O 2.94Å; S1117-C1154 PolarHBondContact O-N 3.15Å; C1154-Y1169 HydrophobicContact CB-CD1 3.53Å; C1154-Y1169 HydrophobicContact CB-CD2 3.91Å; C1154-Y1169 HydrophobicContact CB-CE1 3.72Å; C1154-Y1169 HydrophobicContact CB-CE2 4.09Å; C1154-Y1169 HydrophobicContact CB-CG 3.62Å; C1154-Y1169 VanDerWaalsContact SG-CZ 3.58Å
1155A83.4Confident73.6Confident0 Ų052.3 Ų52.30%029%0.289CS..EExtended strand (participates in β ladder)trans-109145.517000000111.6V1086 L1106 V1114 I1115 Y1116 G1167V1086-A1155 HydrophobicContact CG2-CB 3.44Å; V1086-A1155 VanDerWaalsContact CG2-CB 3.44Å; L1106-A1155 HydrophobicContact CD1-CB 3.63Å; V1114-A1155 HydrophobicContact CG1-CB 3.73Å; I1115-A1155 CarbonylContact O-C 3.54Å; I1115-A1155 WeakPolarHBondContact O-CA 3.35Å; Y1116-A1155 HydrophobicContact CD1-CB 4.27Å; Y1116-A1155 HydrophobicContact CE1-CB 4.04Å; A1155-G1167 WeakPolarHBondContact O-CA 3.24Å; A1155-G1167 PolarHBondContact O-N 3.38Å
1156I80.1Confident74.3Confident9 Ų951.8 Ų51.85%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-133.9125.7-179.4-55.9172.5000108.2V1114 I1115 E1164V1114-I1156 WeakPolarHBondContact CA-O 3.33Å; I1115-I1156 HydrophobicContact CG1-CB 4.1Å; I1115-I1156 PolarHBondContact N-O 3.23Å; I1115-I1156 PolarHBondContact O-N 3.07Å; I1156-E1164 HydrophobicContact CG2-CB 3.71Å; I1156-E1164 HydrophobicContact CG2-CG 3.82Å
1157R82.9Confident75.2Confident4 Ų447 Ų472%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-82.4113.8172.1176.4-175.1-176.9165.67.3107.6S1081 P1083 M1109 D1112 L1165S1081-R1157 PolarHBondContact O-NH1 2.88Å; P1083-R1157 HydrophobicContact CB-CB 4.14Å; P1083-R1157 HydrophobicContact CG-CB 3.88Å; M1109-R1157 HydrophobicContact CB-CG 4.06Å; M1109-R1157 HydrophobicContact CG-CG 4.46Å; M1109-R1157 PolarHBondContact O-NH2 3.4Å; M1109-R1157 VanDerWaalsContact O-NH2 3.16Å; D1112-R1157 HydrophobicContact CB-CG 3.89Å; D1112-R1157 IonicContact OD2-CZ 2.78Å; D1112-R1157 IonicContact OD2-NE 3.54Å; D1112-R1157 PolarHBondContact OD2-NE 2.94Å; D1112-R1157 IonicContact OD2-NH2 3.8Å; D1112-R1157 PolarHBondContact OD2-NH2 3.25Å; R1157-L1165 HydrophobicContact CB-CB 4.33Å; R1157-L1165 PolarHBondContact N-O 3.41Å; R1157-L1165 PolarHBondContact O-N 3.26Å
1158Q75.1Confident75.9Confident68 Ų6848.6 Ų48.632%0.31826%0.262SS..EExtended strand (participates in β ladder)trans-86.4104.2166.8-87.1-177.3-19.500108.1D1112 P1113 I1115 E1164D1112-Q1158 WeakPolarHBondContact CB-O 3.36Å; P1113-Q1158 VanDerWaalsContact CD-O 3.31Å; P1113-Q1158 WeakPolarHBondContact CD-O 3.38Å; P1113-Q1158 HydrophobicContact CG-CB 4.16Å; P1113-Q1158 PolarHBondContact O-N 3.41Å; I1115-Q1158 HydrophobicContact CD1-CG 4.13Å; I1115-Q1158 HydrophobicContact CG1-CG 4.43Å; Q1158-E1164 HydrophobicContact CG-CG 3.65Å; Q1158-E1164 PolarHBondContact NE2-OE1 2.85Å
1159C68.9Low76Confident5 Ų549.6 Ų49.63%0.03426%0.262CS..  trans-71.3152.8170.4-64.10000110.2D1161 A1162 T1163C1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; C1159-D1161 PolarHBondContact O-N 3.37Å; C1159-D1161 VanDerWaalsContact O-N 3.07Å; C1159-A1162 WeakPolarHBondContact O-CA 3.27Å; C1159-A1162 PolarHBondContact O-N 2.93Å; C1159-T1163 PolarHBondContact N-O 2.78Å
1160Q66.2Low76.3Confident159 Ų15949 Ų4974%0.74326%0.261SS*.THydrogen-bonded Turntrans-58.1-22.4-177.1-68.3169.5200114.5D1112 A1162D1112-Q1160 PolarHBondContact OD1-N 3.01Å; Q1160-A1162 PolarHBondContact O-N 2.63Å
1161D67Low76Confident94 Ų9449.3 Ų49.350%0.50327%0.273SS..THydrogen-bonded Turntrans-81.216171.755.1-67.3000114.1C1159 T1163C1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; C1159-D1161 PolarHBondContact O-N 3.37Å; C1159-D1161 VanDerWaalsContact O-N 3.07Å; D1161-T1163 PolarHBondContact O-N 3.23Å; D1161-T1163 VanDerWaalsContact O-N 3.13Å; D1161-T1163 WeakPolarHBondContact OD2-CB 3.09Å; D1161-T1163 WeakPolarHBondContact OD2-CG2 3.38Å; D1161-T1163 PolarHBondContact OD2-OG1 3.43Å
1162A60.6Low76Confident87 Ų8752.1 Ų52.172%0.71929%0.29SS*.SBendtrans60.810.3-177.500000115.8C1159 Q1160 E1164C1159-A1162 WeakPolarHBondContact O-CA 3.27Å; C1159-A1162 PolarHBondContact O-N 2.93Å; Q1160-A1162 PolarHBondContact O-N 2.63Å; A1162-E1164 PolarHBondContact O-N 3.05Å
1163T68.3Low75.7Confident67 Ų6751.1 Ų51.141%0.41129%0.292SS..  trans-75.9122.8171.357.20000111C1159 D1161C1159-T1163 PolarHBondContact N-O 2.78Å; D1161-T1163 PolarHBondContact O-N 3.23Å; D1161-T1163 VanDerWaalsContact O-N 3.13Å; D1161-T1163 WeakPolarHBondContact OD2-CB 3.09Å; D1161-T1163 WeakPolarHBondContact OD2-CG2 3.38Å; D1161-T1163 PolarHBondContact OD2-OG1 3.43Å
1164E76.2Confident75.5Confident83 Ų8354.8 Ų54.839%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-92.6104.4177.3-82.1-168.7179.400111.3K1132 I1156 Q1158 A1162 S1166K1132-E1164 IonicContact NZ-OE1 2.65Å; K1132-E1164 PolarHBondContact NZ-OE1 2.93Å; K1132-E1164 IonicContact NZ-OE2 2.76Å; K1132-E1164 PolarHBondContact NZ-OE2 3.18Å; I1156-E1164 HydrophobicContact CG2-CB 3.71Å; I1156-E1164 HydrophobicContact CG2-CG 3.82Å; Q1158-E1164 HydrophobicContact CG-CG 3.65Å; Q1158-E1164 PolarHBondContact NE2-OE1 2.85Å; A1162-E1164 PolarHBondContact O-N 3.05Å; E1164-S1166 PolarHBondContact O-N 2.94Å
1165L76.7Confident75Confident57 Ų5756.3 Ų56.330%0.29832%0.323SS..EExtended strand (participates in β ladder)trans-88.197.7170.4-65.8177.1000108.8S1081 P1082 P1083 R1157S1081-L1165 WeakPolarHBondContact O-CD1 3.33Å; P1082-L1165 HydrophobicContact CB-CB 4.13Å; P1083-L1165 WeakPolarHBondContact CD-O 3.49Å; P1083-L1165 VanDerWaalsContact CG-O 3.25Å; P1083-L1165 WeakPolarHBondContact CG-O 3.22Å; R1157-L1165 HydrophobicContact CB-CB 4.33Å; R1157-L1165 PolarHBondContact N-O 3.41Å; R1157-L1165 PolarHBondContact O-N 3.26Å
1166S72.5Confident74Confident70 Ų7059.3 Ų59.349%0.4934%0.343SS..EExtended strand (participates in β ladder)trans-74.7133.2179.7-171.40000112.3E1164E1164-S1166 PolarHBondContact O-N 2.94Å
1167G77.4Confident73Confident6 Ų662.1 Ų62.16%0.06236%0.356CS..EExtended strand (participates in β ladder)trans-95.5167.717000000112.5A1155A1155-G1167 WeakPolarHBondContact O-CA 3.24Å; A1155-G1167 PolarHBondContact O-N 3.38Å
1168P79.4Confident71.3Confident74 Ų7471.6 Ų71.648%0.48140%0.401SS..EExtended strand (participates in β ladder)trans-66.7149.4-177.317-22000114.4P1085P1085-P1168 HydrophobicContact CB-CG 4.02Å; P1085-P1168 HydrophobicContact CG-CG 4.34Å
1169Y79.2Confident69.6Low88 Ų8880 Ų8035%0.34543%0.43SS..EExtended strand (participates in β ladder)trans-72.1152.3177-78.2-91.4000113.2Q1119 R1152 C1154Q1119-Y1169 HydrophobicContact CG-CE1 3.93Å; Q1119-Y1169 PolarHBondContact NE2-OH 3.33Å; Q1119-Y1169 VanDerWaalsContact NE2-OH 3.11Å; R1152-Y1169 HydrophobicContact CG-CD1 4.46Å; C1154-Y1169 HydrophobicContact CB-CD1 3.53Å; C1154-Y1169 HydrophobicContact CB-CD2 3.91Å; C1154-Y1169 HydrophobicContact CB-CE1 3.72Å; C1154-Y1169 HydrophobicContact CB-CE2 4.09Å; C1154-Y1169 HydrophobicContact CB-CG 3.62Å; C1154-Y1169 VanDerWaalsContact SG-CZ 3.58Å
1170S81.3Confident68.2Low10 Ų1084.5 Ų84.57%0.0746%0.461CS..PPolyproline II helixtrans-89.8170.2-179.981.20000114.1V1086 K1087 V1153V1086-S1170 WeakPolarHBondContact O-CB 3.48Å; K1087-S1170 WeakPolarHBondContact O-CB 3.18Å; K1087-S1170 PolarHBondContact O-OG 3.21Å; V1153-S1170 WeakPolarHBondContact CG1-OG 3.08Å; V1153-S1170 PolarHBondContact N-OG 2.97Å; V1153-S1170 WeakPolarHBondContact O-CB 3.34Å; V1153-S1170 PolarHBondContact O-N 2.87Å; V1153-S1170 PolarHBondContact O-OG 3.25Å
1171P76.3Confident66.5Low85 Ų8584.7 Ų84.755%0.55247%0.467SS*.PPolyproline II helixtrans-66.6167.8176-18.132.3000113.9A1088A1088-P1171 HydrophobicContact CB-CB 4.08Å; A1088-P1171 HydrophobicContact CB-CG 4.41Å
1172T78.1Confident64.6Low59 Ų5984 Ų8436%0.36248%0.475SS..  trans-109.2145.9-168.6-53.70000113.7F1127 R1150 F1151F1127-T1172 HydrophobicContact CE1-CG2 3.94Å; F1127-T1172 HydrophobicContact CZ-CG2 3.71Å; F1127-T1172 WeakPolarHBondContact CZ-OG1 3.46Å; R1150-T1172 HydrophobicContact CB-CG2 3.79Å; R1150-T1172 HydrophobicContact CG-CG2 4.02Å; F1151-T1172 WeakPolarHBondContact O-CA 3.34Å; F1151-T1172 WeakPolarHBondContact O-CG2 3.19Å
1173V78.3Confident62.9Low48 Ų4886.7 Ų86.729%0.29148%0.482SS..EExtended strand (participates in β ladder)trans-124.9154.2175.1168.40000111.6P1089 V1091 R1150 F1151P1089-V1173 VanDerWaalsContact O-CG2 3.23Å; P1089-V1173 WeakPolarHBondContact O-CG2 3.44Å; V1091-V1173 HydrophobicContact CB-CG1 4.48Å; V1091-V1173 HydrophobicContact CG2-CG1 3.84Å; R1150-V1173 CarbonylContact C-O 3.52Å; R1150-V1173 WeakPolarHBondContact CA-O 3.2Å; F1151-V1173 PolarHBondContact N-O 3.34Å; F1151-V1173 PolarHBondContact O-N 3.08Å; F1151-V1173 VanDerWaalsContact O-N 3.07Å
1174T77.6Confident60.9Low78 Ų7887.9 Ų87.948%0.47950%0.499SS..EExtended strand (participates in β ladder)trans-127.2154.9-168.5-45.90000113.9Y1149 R1150Y1149-T1174 CarbonylContact O-C 3.54Å; Y1149-T1174 WeakPolarHBondContact O-CA 3.16Å; R1150-T1174 HydrophobicContact CG-CG2 3.89Å; R1150-T1174 WeakPolarHBondContact CG-OG1 3.5Å
1175L68.8Low58.5Low32 Ų3288.2 Ų88.217%0.16853%0.525CS..EExtended strand (participates in β ladder)trans-138.2143.3175.6-177.471.9000111.7V1091 C1099 L1143 D1148 Y1149V1091-L1175 HydrophobicContact CG1-CD2 4.38Å; C1099-L1175 HydrophobicContact CB-CD2 3.96Å; L1143-L1175 HydrophobicContact CD1-CD2 4.07Å; D1148-L1175 CarbonylContact C-O 3.58Å; D1148-L1175 WeakPolarHBondContact CA-O 3.43Å; Y1149-L1175 PolarHBondContact N-O 2.91Å; Y1149-L1175 PolarHBondContact O-N 3.37Å
1176S64.2Low56.3Low63 Ų6389.6 Ų89.644%0.44155%0.552SS.*  trans-141.7175.6-171.1-43.10000115.3R1093 D1148R1093-S1176 PolarHBondContact NH1-O 3.36Å; D1148-S1176 VanDerWaalsContact CG-OG 3.22Å; D1148-S1176 VanDerWaalsContact OD1-CA 3.29Å; D1148-S1176 WeakPolarHBondContact OD1-CA 3.45Å; D1148-S1176 VanDerWaalsContact OD1-CB 3.25Å; D1148-S1176 WeakPolarHBondContact OD1-CB 3.37Å; D1148-S1176 PolarHBondContact OD1-OG 2.79Å; D1148-S1176 WeakPolarHBondContact OD2-CB 3.08Å; D1148-S1176 PolarHBondContact OD2-OG 3.21Å
1177Q57.9Low54.2Low67 Ų6789.3 Ų89.331%0.31356%0.561SS.*  trans-141.5159.2174.5-87.3-174.9-18.900113.3E1096E1096-Q1177 PolarHBondContact O-NE2 2.82Å
1178Q46.7Very low52.3Low203 Ų20396 Ų9695%0.94960%0.601SS**  trans-125.4159.1-177.8-72.1-171.7-55.700114.6
1179R40.4Very low50.6Low245 Ų24597.5 Ų97.593%0.92562%0.619SS**  trans-136.9165.9166.2-154-179.3-168.2-173.44.7109.2
1180S39.1Very low48.6Very low100 Ų10096.9 Ų96.970%0.69964%0.639SS**  trans-76.1149-17252.90000115.7
1181D30Very low47.3Very low162 Ų162103.2 Ų103.287%0.86668%0.68SS**  trans77.1145.1161.3-73.1-35.1000122.7
1182A26.8Very low45.5Very low80 Ų80103.1 Ų103.166%0.66170%0.695SS**  trans69.2116.4154.900000121.9
1183T26.7Very low43.7Very low143 Ų143105.8 Ų105.888%0.87772%0.716SS**  trans62.8162.7141.554.90000120.6
1184A25.7Very low41.9Very low93 Ų93114.1 Ų114.177%0.76974%0.742SS**  cis-177.1129-39.200000108.7
1185G26.3Very low40.3Very low90 Ų90117 Ų11793%0.92876%0.76SS**  trans68.3176.5172.800000116.2
1186G29.6Very low38.7Very low85 Ų85118.8 Ų118.888%0.87679%0.786SS**  cis153.9135-9.200000113.9
1187G29.3Very low37.5Very low64 Ų64122.2 Ų122.266%0.6681%0.805SS**  trans126120.7174.100000113.7
1188T36.3Very low36.8Very low147 Ų147126.9 Ų126.990%0.90283%0.827SS**  81.7141.458.258.60000115.2
1189A43.8Very low36.5Very low105 Ų105121.3 Ų121.387%0.86881%0.81SS**  cis-175.8158.1-20.200000110.7
1190G36.7Very low36.4Very low75 Ų75116.6 Ų116.677%0.77380%0.801SS**  trans167.4149.7167.700000116.4
1191P54.8Low36.3Very low143 Ų143122.4 Ų122.493%0.92981%0.808SS**  trans-132.1169.7-148.337-17.7000121.5
1192G38.7Very low36.7Very low84 Ų84120.9 Ų120.987%0.86681%0.805SS**  trans-159.4-169.8-176.900000119
1193S39.1Very low37.1Very low114 Ų114126.9 Ų126.980%0.79781%0.81SS**  trans-167.6175.4-166.5-141.80000111.7
1194R42.2Very low37.4Very low224 Ų224127.4 Ų127.485%0.84580%0.803SS**  cis-179.7169.4-26.6-97-175.7-179.7-157.2-0.7106.9
1195T42.9Very low38.5Very low138 Ų138128.2 Ų128.285%0.84780%0.803SS**  cis-164.1-175.4-9.521.50000106.9
1196G36.2Very low38.9Very low70 Ų70132.2 Ų132.272%0.72280%0.802SS**  cis137.8148.810.100000109
1197T39.3Very low40.3Very low135 Ų135133.8 Ų133.883%0.82880%0.795SS**  cis-162.7-167.5-1.547.30000107.5
1198E41.1Very low41.6Very low165 Ų165137.4 Ų137.477%0.77180%0.799SS**  cis-172.4-167.9-11.8-117.2-165.3-10500107.6
1199S40.5Very low42.3Very low85 Ų85139 Ų13959%0.59480%0.796SS**  cis-173.7174.9-36.1630000109.8
1200I38.9Very low42.6Very low146 Ų146142 Ų14275%0.74979%0.792SS**  cis-170.8158.6-24.4-98.6171.8000113.1
1201R37.9Very low43.4Very low222 Ų222143.1 Ų143.184%0.83879%0.787SS**  trans94.4110.7152.7-97.6172.2-173.1-178.52.8128.4
1202T37Very low43.7Very low130 Ų130139.5 Ų139.580%0.79877%0.769SS**  trans63.3172.7133.356.40000123.3
1203R35Very low44.8Very low207 Ų207143.2 Ų143.278%0.78176%0.762SS**  cis-162.6154.55.8-146.7-167.2-166-15615.1116.2
1204Q34.3Very low45.8Very low154 Ų154144.2 Ų144.272%0.7276%0.757SS**  trans67.4173.1151-101170.3-28.100124.7
1205S47.7Very low47Very low110 Ų110139.1 Ų139.177%0.76975%0.747SS**  trans-149.3160.2-139.557.60000120.1
1206L36.5Very low48.4Very low173 Ų173139 Ų13991%0.90674%0.74SS**  trans-150.5169.4162.3-100.6165.3000110.4
1207T58.9Low49.9Very low119 Ų119141.6 Ų141.673%0.7374%0.735SS**  trans-134.4164.2-168.849.10000116.6
1208D54.9Low51.6Low140 Ų140139.2 Ų139.275%0.74972%0.72SS**THydrogen-bonded Turntrans-77.9-23.2-150-54.4-73.8000119.3Q1210 C1211D1208-Q1210 PolarHBondContact O-N 3.05Å; D1208-C1211 PolarHBondContact O-N 3.5Å; D1208-C1211 VanDerWaalsContact O-N 3.15Å
1209E51.9Low53.2Low179 Ų179138.3 Ų138.384%0.83671%0.714SS**Hα-helixtrans-61.8-26.5-163-64.6-176.2138.700114.9C1211E1209-C1211 VanDerWaalsContact C-N 3.26Å; E1209-C1211 PolarHBondContact O-N 3.22Å
1210Q49.8Very low54.5Low170 Ų170136.9 Ų136.979%0.79471%0.707SS**Hα-helixtrans-65.7-23.3-179.9-69.2-79.8-65.600113.6D1208D1208-Q1210 PolarHBondContact O-N 3.05Å
1211C53.4Low56.2Low98 Ų98134.1 Ų134.166%0.66270%0.696SS**Hα-helixtrans-83.8-26-175.3-68.60000113.9D1208 E1209D1208-C1211 PolarHBondContact O-N 3.5Å; D1208-C1211 VanDerWaalsContact O-N 3.15Å; E1209-C1211 VanDerWaalsContact C-N 3.26Å; E1209-C1211 PolarHBondContact O-N 3.22Å
1212A60.4Low58Low67 Ų67127.6 Ų127.655%0.55468%0.678SS**Hα-helixtrans-74.3-35.7-171.900000113.4L1214A1212-L1214 PolarHBondContact O-N 3.38Å
1213F62.6Low59.6Low161 Ų161124.4 Ų124.471%0.70666%0.664SS**Hα-helixtrans-68.8-35.1-171.7-161.6-95.3000113.3L1215 L1216F1213-L1215 PolarHBondContact O-N 2.95Å; F1213-L1216 PolarHBondContact O-N 2.75Å
1214L59.5Low61.5Low135 Ų135119.6 Ų119.671%0.70765%0.653SS**Hα-helixtrans-67.9-32-178.6-88.3162.1000113.6A1212A1212-L1214 PolarHBondContact O-N 3.38Å
1215L68.3Low63.3Low118 Ų118117.6 Ų117.662%0.61865%0.647SS**Hα-helixtrans-71-35.2179.7-81.4162000112.6F1213 M1217 V1218 F1219F1213-L1215 PolarHBondContact O-N 2.95Å; L1215-M1217 PolarHBondContact O-N 3.37Å; L1215-V1218 PolarHBondContact O-N 3.21Å; L1215-F1219 WeakPolarHBondContact O-CD2 3.43Å
1216L71.4Confident64.6Low134 Ų134117 Ų11770%0.70263%0.634SS**Hα-helixtrans-67.5-38.1-174.3-114.6162.8000113F1213 V1218F1213-L1216 PolarHBondContact O-N 2.75Å; L1216-V1218 VanDerWaalsContact C-N 3.32Å; L1216-V1218 PolarHBondContact O-N 2.77Å
1217M68.6Low66.1Low125 Ų125111.5 Ų111.562%0.61661%0.613SS**Hα-helixtrans-64.8-32.4179.5-72.7-69.9-7400113.3L1215L1215-M1217 PolarHBondContact O-N 3.37Å
1218V74.5Confident66.7Low85 Ų85112.5 Ų112.552%0.51561%0.608SS.*Hα-helixtrans-69.7-41.4-175.8178.80000111.7L1215 L1216 A1220 I1222L1215-V1218 PolarHBondContact O-N 3.21Å; L1216-V1218 VanDerWaalsContact C-N 3.32Å; L1216-V1218 PolarHBondContact O-N 2.77Å; V1218-A1220 PolarHBondContact O-N 3.33Å; V1218-I1222 HydrophobicContact CG1-CD1 4.2Å
1219F74.8Confident67.5Low147 Ų147110.1 Ų110.165%0.64560%0.598SS**Hα-helixtrans-67.9-33.4-179.3-79.1-79.7000113.2L1215 V1221 I1222 A1223L1215-F1219 WeakPolarHBondContact O-CD2 3.43Å; F1219-V1221 PolarHBondContact O-N 3.02Å; F1219-I1222 PolarHBondContact O-N 2.93Å; F1219-A1223 PolarHBondContact O-N 2.83Å
1220A68.8Low68.4Low55 Ų55106.8 Ų106.846%0.45559%0.585SS.*Hα-helixtrans-63.1-41.1179.300000112.7V1218 A1223 I1224V1218-A1220 PolarHBondContact O-N 3.33Å; A1220-A1223 PolarHBondContact O-N 2.8Å; A1220-I1224 PolarHBondContact O-N 2.86Å
1221V73.9Confident68.7Low87 Ų87104.6 Ų104.653%0.52758%0.575SS.*Hα-helixtrans-67.1-37.9180178.70000111.7F1219 I1224 L1225F1219-V1221 PolarHBondContact O-N 3.02Å; V1221-I1224 PolarHBondContact O-N 2.94Å; V1221-L1225 HydrophobicContact CG1-CD1 4.37Å; V1221-L1225 PolarHBondContact O-N 2.9Å
1222I75.9Confident69Low86 Ų86107.6 Ų107.644%0.44157%0.573SS.*Hα-helixtrans-65.4-40.5179.7-64.9168.7000111V1218 F1219 I1224 L1225 I1226V1218-I1222 HydrophobicContact CG1-CD1 4.2Å; F1219-I1222 PolarHBondContact O-N 2.93Å; I1222-I1224 PolarHBondContact O-N 2.78Å; I1222-L1225 PolarHBondContact O-N 2.59Å; I1222-I1226 HydrophobicContact CG2-CD1 4Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.29Å; I1222-I1226 PolarHBondContact O-N 2.86Å
1223A70.5Confident69.1Low62 Ų62112 Ų11251%0.51258%0.58SS.*Hα-helixtrans-62.2-40.1178.500000112.9F1219 A1220 I1226 A1227F1219-A1223 PolarHBondContact O-N 2.83Å; A1220-A1223 PolarHBondContact O-N 2.8Å; A1223-I1226 PolarHBondContact O-N 2.74Å; A1223-A1227 PolarHBondContact O-N 2.9Å
1224I75.5Confident69.1Low107 Ų107109.9 Ų109.955%0.54958%0.58SS.*Hα-helixtrans-66.9-40179.8-64.4168.3000111.2A1220 V1221 I1222 I1226 A1227 F1228A1220-I1224 PolarHBondContact O-N 2.86Å; V1221-I1224 PolarHBondContact O-N 2.94Å; I1222-I1224 PolarHBondContact O-N 2.78Å; I1224-I1226 PolarHBondContact O-N 2.81Å; I1224-A1227 PolarHBondContact O-N 3.07Å; I1224-F1228 HydrophobicContact CG2-CD2 4.35Å; I1224-F1228 HydrophobicContact CG2-CE2 4.48Å; I1224-F1228 PolarHBondContact O-N 3.21Å
1225L71.4Confident68.8Low112 Ų112110 Ų11059%0.58658%0.58SS**Hα-helixtrans-63.6-39.3176.7-78.8164.1000112.5V1221 I1222 F1228 V1229V1221-L1225 HydrophobicContact CG1-CD1 4.37Å; V1221-L1225 PolarHBondContact O-N 2.9Å; I1222-L1225 PolarHBondContact O-N 2.59Å; L1225-F1228 PolarHBondContact O-N 2.66Å; L1225-V1229 WeakPolarHBondContact O-CG2 3.31Å; L1225-V1229 PolarHBondContact O-N 2.66Å
1226I75.1Confident67.7Low97 Ų97115.5 Ų115.550%0.49760%0.599SS.*Hα-helixtrans-65.2-39.8177.7-66.9166.8000111I1222 A1223 I1224 F1228 V1229 I1230I1222-I1226 HydrophobicContact CG2-CD1 4Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.29Å; I1222-I1226 PolarHBondContact O-N 2.86Å; A1223-I1226 PolarHBondContact O-N 2.74Å; I1224-I1226 PolarHBondContact O-N 2.81Å; I1226-F1228 PolarHBondContact O-N 3.05Å; I1226-V1229 PolarHBondContact O-N 3.12Å; I1226-I1230 HydrophobicContact CG2-CD1 3.97Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; I1226-I1230 PolarHBondContact O-N 3.11Å; I1226-I1230 VanDerWaalsContact O-N 3.13Å
1227A68.9Low67.5Low57 Ų57114.6 Ų114.647%0.47159%0.594SS.*Hα-helixtrans-60.8-42.8177.200000112.7A1223 I1224 V1229 I1230 Q1231A1223-A1227 PolarHBondContact O-N 2.9Å; I1224-A1227 PolarHBondContact O-N 3.07Å; A1227-V1229 PolarHBondContact O-N 2.98Å; A1227-I1230 PolarHBondContact O-N 3.28Å; A1227-Q1231 PolarHBondContact O-N 2.92Å; A1227-Q1231 VanDerWaalsContact O-N 3.1Å
1228F70.2Confident67.4Low141 Ų141114.1 Ų114.162%0.61859%0.592SS**Hα-helixtrans-63.6-38.5176.1-95.5-80.3000113.2I1224 L1225 I1226 Q1231 Y1232I1224-F1228 HydrophobicContact CG2-CD2 4.35Å; I1224-F1228 HydrophobicContact CG2-CE2 4.48Å; I1224-F1228 PolarHBondContact O-N 3.21Å; L1225-F1228 PolarHBondContact O-N 2.66Å; I1226-F1228 PolarHBondContact O-N 3.05Å; F1228-Q1231 PolarHBondContact O-N 3.16Å; F1228-Y1232 PolarHBondContact O-N 2.7Å
1229V72.3Confident67.1Low90 Ų90115.7 Ų115.755%0.54560%0.597SS.*Hα-helixtrans-65.7-40.5177.3173.10000111.3L1225 I1226 A1227 Y1232L1225-V1229 WeakPolarHBondContact O-CG2 3.31Å; L1225-V1229 PolarHBondContact O-N 2.66Å; I1226-V1229 PolarHBondContact O-N 3.12Å; A1227-V1229 PolarHBondContact O-N 2.98Å; V1229-Y1232 PolarHBondContact O-N 3.29Å
1230I70.6Confident66.6Low109 Ų109113.8 Ų113.856%0.55959%0.594SS**Hα-helixtrans-64.3-42176.8-66.6167.5000110.7I1226 A1227 Y1232 F1233I1226-I1230 HydrophobicContact CG2-CD1 3.97Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; I1226-I1230 PolarHBondContact O-N 3.11Å; I1226-I1230 VanDerWaalsContact O-N 3.13Å; A1227-I1230 PolarHBondContact O-N 3.28Å; I1230-Y1232 VanDerWaalsContact C-N 3.28Å; I1230-Y1232 PolarHBondContact O-N 2.66Å; I1230-F1233 PolarHBondContact O-N 3.25Å
1231Q55.4Low66.5Low124 Ų124117.5 Ų117.558%0.57960%0.603SS**Hα-helixtrans-65.7-29.2179.9-160.1174.922.500113.1A1227 F1228A1227-Q1231 PolarHBondContact O-N 2.92Å; A1227-Q1231 VanDerWaalsContact O-N 3.1Å; F1228-Q1231 PolarHBondContact O-N 3.16Å
1232Y60.5Low66Low161 Ų161119.5 Ų119.563%0.63161%0.608SS**Hα-helixtrans-71.5-25.1178.3-172.9-100.6000114F1228 V1229 I1230F1228-Y1232 PolarHBondContact O-N 2.7Å; V1229-Y1232 PolarHBondContact O-N 3.29Å; I1230-Y1232 VanDerWaalsContact C-N 3.28Å; I1230-Y1232 PolarHBondContact O-N 2.66Å
1233F62.7Low65.3Low159 Ų159121.9 Ų121.970%0.69762%0.62SS**THydrogen-bonded Turntrans-95.3-2.5-176.2-90.5-81.2000115.1I1230I1230-F1233 PolarHBondContact O-N 3.25Å
1234V62.5Low64.8Low116 Ų116126.5 Ų126.570%0.70363%0.628SS**SBendtrans-103.9-5.1-176.9177.20000112.7
1235I52.3Low64Low137 Ų137128.2 Ų128.270%0.70363%0.634SS**  trans-123.141.9-176.1-40.8-178.2000110.6
1236K45.7Very low63.3Low235 Ų235129.6 Ų129.6100%1.02264%0.639SS**  trans-155.10175.2-112-175-179.7-178.70112.3

Retrieved 1,236 of 1,236 residues in 1657.1 ms (Link to these results)