A0A061IQ72_CRIGR Loading...

Platelet-derived growth factor receptor-like protein

AlphaFold DB , UniProt , Accession A0A061IQ72, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 375 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
1M36.3Very low34.4Very low231 Ų231159 Ų159100%1.13882%0.823SS**  0130.10-74.2125.578.600107.7
2K33.1Very low34.3Very low197 Ų197156.2 Ų156.286%0.85782%0.818SS**  46.3127.8106.4-72.4-173.4173.5-177.60114.1
3V33.3Very low33.8Very low116 Ų116157.1 Ų157.170%0.70382%0.815SS**  cis142.1132-4.3146.50000105.4
4W38.4Very low33.5Very low222 Ų222158.8 Ų158.884%0.84182%0.817SS**  trans67.7162.2166.2-77.918.3000117.2
5L35.6Very low33.1Very low136 Ų136154.3 Ų154.371%0.71281%0.813SS**  cis-115.4-155.7-5.1-109.6138.5000108.1
6L36.8Very low32.8Very low139 Ų139156 Ų15673%0.72882%0.822SS**  cis-150172.83.8-135.6-171.9000108.3
7L37.6Very low32.5Very low158 Ų158157.8 Ų157.883%0.82783%0.825SS**  trans-130150.3163.4-98.688.8000110.1
8G33.1Very low32.2Very low73 Ų73157.1 Ų157.175%0.75382%0.822SS**  trans-161.791.1167.200000109.9
9L31.2Very low31.8Very low160 Ų160156.2 Ų156.284%0.83882%0.823SS**  51.5101.681-82.8164.8000114.2
10L30.4Very low31.5Very low158 Ų158152.8 Ų152.883%0.82782%0.819SS**  -164.1113.1117.9-105.2162.3000110.6V12L10-V12 HydrophobicContact CD2-CG2 4.13Å
11L32.2Very low31.2Very low159 Ų159148.8 Ų148.883%0.83281%0.813SS**  trans-93.8134.9157-92.7163.2000107.2
12V33.4Very low30.7Very low125 Ų125147.3 Ų147.376%0.75880%0.803SS**  trans-126.8144.4162.6-179.80000107L10L10-V12 HydrophobicContact CD2-CG2 4.13Å
13H28.4Very low30.3Very low168 Ų168146.7 Ų146.778%0.77880%0.804SS**  trans-118.6-169.6-172.2-135.568000110.1
14E28.7Very low31.2Very low181 Ų181146.5 Ų146.585%0.84680%0.804SS**  trans73.9110.8179.3-50.5-174.815200112.4
15A28.3Very low31.2Very low92 Ų92141.6 Ų141.676%0.7680%0.802SS**  cis78.212434.900000114.4
16L27.9Very low31Very low181 Ų181144.7 Ų144.795%0.94881%0.809SS**  trans-146.5122.3165.3-149.285.2000107.4
17E28.2Very low30.5Very low187 Ų187143.9 Ų143.987%0.87482%0.815SS**  trans-100.4139.5179.9-73.7-173.1126.900112.5
18D27.2Very low30Very low144 Ų144146 Ų14677%0.7782%0.818SS**  trans23.7126.3138.1-164.414000120.9
19V24.1Very low29.9Very low141 Ų141153.9 Ų153.986%0.85583%0.825SS**  trans-138.9128.5143.6-177.90000110.9
20A26.4Very low29.9Very low88 Ų88151.6 Ų151.673%0.72782%0.82SS**  trans-50.5166.3173.700000116.6
21G24.3Very low29.6Very low68 Ų68152.5 Ų152.570%0.70182%0.817SS**  cis151.9-143.7-0.200000112.6
22Q25.8Very low29.3Very low201 Ų201150.9 Ų150.994%0.93981%0.805SS**  trans79.7131.9171.9-55.4-175.2-2.800120.1
23Q25.4Very low29Very low184 Ų184153 Ų15386%0.8681%0.806SS**  trans-122.5-171.8157.7-62.5-175.8-14.300107.9
24P52.6Low28.9Very low111 Ų111148.2 Ų148.272%0.72180%0.803SS**  -109.7-167.7-79.537-21.2000110.3
25P37.8Very low28.8Very low120 Ų120146 Ų14678%0.77980%0.797SS**  -156170.398.339.5-20.5000118.5
26K30.3Very low28.8Very low200 Ų200148 Ų14887%0.8779%0.794SS**  trans-32.1146.8162.4-55.8154.1-177.2168.50116.4
27S27.2Very low28.8Very low123 Ų123149.4 Ų149.486%0.8679%0.787SS**  trans-115.6163.1155.166.50000111.9
28K27.4Very low28.9Very low201 Ų201147.6 Ų147.687%0.87478%0.782SS**  trans-126.2160-176.9-76.6177.6175.9174.70111.4
29R31Very low29.1Very low240 Ų240150.2 Ų150.291%0.90679%0.787SS**  trans-62.5150.5172.4-69.2-177.2-178.8174.6-1.8114.6
30P30.2Very low29.5Very low112 Ų112148.9 Ų148.973%0.72778%0.781SS**  -91.9151.3127.5-12.531.1000110.7
31K24.7Very low29.4Very low176 Ų176150.3 Ų150.377%0.76578%0.781SS**  cis64.4132.549.6-82.4-173.1160.8-1200112.4
32E27.2Very low29.6Very low126 Ų126154 Ų15459%0.58978%0.784SS**  cis-162.7-172.5-1.3-136.5170128.300108.4
33Q25.5Very low29.7Very low168 Ų168153.6 Ų153.679%0.78578%0.78SS**  cis-159.9171.55.9-161.1169.475.800110.5
34G27Very low29.9Very low68 Ų68154.4 Ų154.470%0.70178%0.78SS**  trans94.7104.1160.300000115.3
35D26.6Very low28.6Very low135 Ų135153.7 Ų153.772%0.72278%0.784SS**  cis81.4106.536.7-165.727.5000115.6
36N27.9Very low28.2Very low133 Ų133157.9 Ų157.971%0.71179%0.789SS**  -175.8108.7121.6-103.8-78.9000114
37R28.7Very low28.1Very low212 Ų212154 Ų15480%0.879%0.785SS**  45146123.8-121179.3178.8175.3-0.3123.9
38I29.8Very low28.4Very low149 Ų149158 Ų15876%0.76479%0.787SS**  trans92.2124.5154.6-58.4162.7000118.8
39K31.1Very low28.6Very low198 Ų198156 Ų15686%0.86178%0.784SS**  trans-101.9155159.2-76.7177.5173.2174.30109.2
40P32.4Very low28.5Very low113 Ų113150.2 Ų150.273%0.73478%0.778SS**  -146.5136.4116.333.5-16.4000117.4
41T25.2Very low28.4Very low118 Ų118154.7 Ų154.772%0.72479%0.786SS**  trans40.1116.8142.359.80000124.3
42N28.6Very low28.8Very low145 Ų145153.6 Ų153.678%0.77579%0.787SS**  51.2112.4124.2-61.6-17.1000122.3
43K28.1Very low29Very low194 Ų194156.2 Ų156.284%0.84380%0.796SS**  176.5142.7100.6-98.9164.7-174.9169.20116.3
44K28.1Very low29.2Very low200 Ų200155 Ų15587%0.8780%0.795SS**  trans70.3154147.3-74.9-173.7173.1-174.10122.1
45A25.6Very low29.6Very low96 Ų96161.4 Ų161.479%0.79380%0.798SS**  trans68.3111158.600000120.1
46K30.6Very low29.8Very low208 Ų208162.5 Ų162.590%0.90480%0.804SS**PPolyproline II helixtrans-97.8123.8156.3-78.9-175.8174.1-178.60110.1
47P28Very low30Very low120 Ų120160.3 Ų160.378%0.77980%0.799SS**PPolyproline II helixtrans-75.4160.2153.7-11.529.1000110.9
48K32.7Very low30.3Very low206 Ų206154 Ų15490%0.89679%0.792SS**PPolyproline II helixtrans-94.7143.7168.1-67.4175.6-180173.40109.6
49I31.1Very low30.9Very low160 Ų160155.1 Ų155.182%0.82180%0.8SS**  trans-125.7143.9161.9-65-179.1000107.2
50P29Very low31.1Very low118 Ų118150.4 Ų150.477%0.76679%0.787SS**PPolyproline II helixtrans-74.1158-164.5-18.433.8000114.8
51K29.6Very low31.4Very low206 Ų206150 Ų15090%0.89679%0.785SS**PPolyproline II helixtrans-76.3124.1165-67.8-177.2175.7-174.40109.7
52I31.6Very low32.3Very low153 Ų153150.3 Ų150.379%0.78579%0.789SS**PPolyproline II helixtrans-87.8153.1149.4-67178.9000107.5
53K32.7Very low33.2Very low181 Ų181152.1 Ų152.179%0.78779%0.79SS**  trans-120.982.8-167.2-179.3-167.2173.6-177.50109.1
54D28.2Very low34.6Very low142 Ų142147 Ų14776%0.75978%0.778SS**  trans-63139.3168.8-66-52.8000109.9
55R36.3Very low36.7Very low202 Ų202145.3 Ų145.376%0.76277%0.774SS**  trans-131.265.7-165.9-173-164172.5169.1-1.1108.7S57R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-S57 PolarHBondContact O-OG 2.86Å
56D29.9Very low39.7Very low159 Ų159142.4 Ų142.485%0.8575%0.748SS**  trans-60.799.6169.2-68.4-38.5000108.8A58D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.13Å; D56-A58 VanDerWaalsContact O-N 3.13Å
57S33.4Very low42.8Very low86 Ų86133.6 Ų133.660%0.60171%0.71SS**  trans-82.588.5175.1-59.60000106.2R55 D59R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-S57 PolarHBondContact O-OG 2.86Å; S57-D59 PolarHBondContact O-N 2.8Å
58A35.3Very low46Very low81 Ų81127.9 Ų127.967%0.66967%0.673SS**  trans-57121.9177.900000110.1D56 T60D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.13Å; D56-A58 VanDerWaalsContact O-N 3.13Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.17Å; A58-T60 PolarHBondContact O-OG1 3.2Å
59D41.4Very low49Very low172 Ų172120.5 Ų120.592%0.9265%0.645SS**  trans-59.396.1177-92.4-49.2000110.2S57S57-D59 PolarHBondContact O-N 2.8Å
60T34.5Very low52.1Low98 Ų98114 Ų11460%0.60161%0.611SS**PPolyproline II helixtrans-101117.1171.5-47.80000105.8A58A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.17Å; A58-T60 PolarHBondContact O-OG1 3.2Å
61P40.4Very low55.2Low106 Ų106109.3 Ų109.369%0.68858%0.583SS**PPolyproline II helixtrans-55.4136.7178.422.5-32.7000109.4K63P61-K63 PolarHBondContact O-N 3.08Å; P61-K63 VanDerWaalsContact O-N 3.08Å
62P42.4Very low58Low124 Ų124103.3 Ų103.381%0.80556%0.559SS**PPolyproline II helixtrans-60.3119.3-170.923.1-33.3000109.8S64P62-S64 PolarHBondContact O-N 3.06Å
63K48.2Very low60.3Low183 Ų183103.9 Ų103.980%0.79656%0.563SS**  trans-60.8100.2-179.3-68.7-178.8178.41790109.6P61 Q65P61-K63 PolarHBondContact O-N 3.08Å; P61-K63 VanDerWaalsContact O-N 3.08Å; K63-Q65 PolarHBondContact O-N 2.87Å
64S58Low62.4Low85 Ų8599 Ų9959%0.59457%0.565SS**  trans-58.7112179.546.60000110.1P62 S66P62-S64 PolarHBondContact O-N 3.06Å; S64-S66 PolarHBondContact O-N 3.18Å; S64-S66 VanDerWaalsContact O-N 3.15Å
65Q71.8Confident64.8Low166 Ų16695 Ų9578%0.77656%0.556SS**  trans-82.297.1178.3-67.3-168.62.400108.3K63 I67K63-Q65 PolarHBondContact O-N 2.87Å; Q65-I67 PolarHBondContact O-N 2.59Å
66S89.1Confident67.3Low35 Ų3594.7 Ų94.725%0.24556%0.555CS.*  trans-42.9123.9176175.10000111.2S64 M68 T160 G161S64-S66 PolarHBondContact O-N 3.18Å; S64-S66 VanDerWaalsContact O-N 3.15Å; S66-M68 PolarHBondContact O-N 3.34Å; S66-M68 PolarHBondContact OG-N 3.15Å; S66-T160 VanDerWaalsContact CA-O 3.28Å; S66-T160 WeakPolarHBondContact CA-O 3.4Å; S66-G161 VanDerWaalsContact OG-CA 3.28Å; S66-G161 WeakPolarHBondContact OG-CA 3.26Å
67I94.3Very high70.3Confident23 Ų2392.3 Ų92.312%0.11854%0.538CS..  trans-78.3-4.7-177.863.4160.4000113.2Q65 C96 K97 R159 T160Q65-I67 PolarHBondContact O-N 2.59Å; I67-C96 HydrophobicContact CD1-CB 3.96Å; I67-C96 HydrophobicContact CG1-CB 4.21Å; I67-C96 WeakPolarHBondContact O-CA 3.28Å; I67-K97 HydrophobicContact CB-CB 4.3Å; I67-K97 PolarHBondContact O-N 3.4Å; I67-R159 HydrophobicContact CD1-CB 4.44Å; I67-R159 WeakPolarHBondContact CD1-O 3.31Å; I67-R159 HydrophobicContact CG2-CB 3.88Å; I67-R159 HydrophobicContact CG2-CG 4.17Å; I67-T160 PolarHBondContact N-O 3.03Å
68M96.6Very high73.1Confident0 Ų094.1 Ų94.10%054%0.537CS..EExtended strand (participates in β ladder)trans-87.2134.2-175.6-174.1-178.7-77.300112.1S66 P80 L94 R95 W103 C143 G161 T163S66-M68 PolarHBondContact O-N 3.34Å; S66-M68 PolarHBondContact OG-N 3.15Å; M68-P80 HydrophobicContact CG-CG 3.93Å; M68-P80 WeakPolarHBondContact O-CD 3.28Å; M68-P80 HydrophobicContact SD-CG 3.83Å; M68-L94 HydrophobicContact CE-CD1 4.17Å; M68-L94 HydrophobicContact CG-CD2 4.49Å; M68-L94 HydrophobicContact SD-CD1 4.04Å; M68-L94 HydrophobicContact SD-CD2 4.21Å; M68-R95 CarbonylContact C-O 3.56Å; M68-R95 WeakPolarHBondContact CA-O 3.4Å; M68-W103 HydrophobicContact CE-CZ3 4.02Å; M68-C143 HydrophobicContact CE-CB 4.23Å; M68-G161 WeakPolarHBondContact CE-O 3.2Å; M68-T163 HydrophobicContact SD-CG2 3.8Å
69V96.1Very high75.9Confident50 Ų5096.4 Ų96.430%0.30353%0.531SS..EExtended strand (participates in β ladder)trans-128.1145.2164.7-630000109.8F77 Q78 R95V69-F77 HydrophobicContact CB-CB 4.44Å; V69-F77 HydrophobicContact CG2-CB 4.37Å; V69-F77 HydrophobicContact CG2-CD1 4.19Å; V69-Q78 CarbonylContact C-O 3.56Å; V69-Q78 WeakPolarHBondContact CA-O 3.35Å; V69-R95 HydrophobicContact CG2-CB 4.04Å; V69-R95 PolarHBondContact N-O 2.8Å; V69-R95 PolarHBondContact O-N 3.18Å
70Q95.3Very high78.4Confident23 Ų2388.7 Ų88.711%0.10749%0.491CS..EExtended strand (participates in β ladder)trans-89.4137.2167.8-176.6176.8500108.6M72 F77 Q78 P80 M84 E93 L94Q70-M72 HydrophobicContact CG-SD 3.86Å; Q70-F77 WeakPolarHBondContact O-CA 3.5Å; Q70-Q78 PolarHBondContact N-O 2.75Å; Q70-Q78 PolarHBondContact O-N 2.85Å; Q70-P80 HydrophobicContact CB-CB 4.43Å; Q70-M84 PolarHBondContact OE1-SD 3.27Å; Q70-M84 VanDerWaalsContact OE1-SD 3.34Å; Q70-E93 WeakPolarHBondContact CA-O 3.1Å; Q70-L94 HydrophobicContact CB-CD2 4.01Å; Q70-L94 HydrophobicContact CG-CD2 4.23Å
71A93.6Very high81.3Confident21 Ų2186.7 Ų86.717%0.17448%0.484CS..EExtended strand (participates in β ladder)trans-84.9134.9166.100000109.2F77 E93A71-F77 HydrophobicContact CB-CD1 3.97Å; A71-F77 HydrophobicContact CB-CE1 3.68Å; A71-E93 HydrophobicContact CB-CB 4.06Å; A71-E93 HydrophobicContact CB-CG 4.04Å; A71-E93 PolarHBondContact N-O 2.71Å
72M89.6Confident83.9Confident79 Ų7985.3 Ų85.339%0.38948%0.482SS..EExtended strand (participates in β ladder)trans-115.3158.6-179.1-55.1-63.4-68.500109.8Q70 G74 G75 R76 Q78Q70-M72 HydrophobicContact CG-SD 3.86Å; M72-G74 PolarHBondContact O-N 3.32Å; M72-G75 PolarHBondContact O-N 3.17Å; M72-R76 HydrophobicContact CB-CB 4.35Å; M72-R76 PolarHBondContact N-O 3.45Å; M72-R76 PolarHBondContact O-N 2.97Å; M72-Q78 HydrophobicContact CG-CB 4.48Å
73D80.2Confident86.4Confident165 Ų16581.7 Ų81.788%0.88246%0.457SS*.THydrogen-bonded Turntrans-50.2139.5175-66.4-41.8000112.2G75D73-G75 VanDerWaalsContact C-N 3.34Å
74G75Confident88.6Confident80 Ų8074.1 Ų74.183%0.82543%0.425SS*.THydrogen-bonded Turntrans75.717.6-17200000114.7M72 R76M72-G74 PolarHBondContact O-N 3.32Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.25Å
75G79.7Confident90.4Very high56 Ų5672.9 Ų72.958%0.57742%0.417SS*.THydrogen-bonded Turntrans73.621.7170.200000114.8M72 D73 F77M72-G75 PolarHBondContact O-N 3.17Å; D73-G75 VanDerWaalsContact C-N 3.34Å; G75-F77 WeakPolarHBondContact O-CE2 3.36Å
76R89.3Confident91.5Very high196 Ų19666.5 Ų66.574%0.7439%0.388SS*.EExtended strand (participates in β ladder)trans-85.9148.1176.3-63.1178.5179.61800.5109.8M72 G74M72-R76 HydrophobicContact CB-CB 4.35Å; M72-R76 PolarHBondContact N-O 3.45Å; M72-R76 PolarHBondContact O-N 2.97Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.25Å
77F92.1Very high91.8Very high110 Ų11069.7 Ų69.748%0.48240%0.4SS..EExtended strand (participates in β ladder)trans-118.1133.9177.3-59.6-79.1000110.6V69 Q70 A71 G75V69-F77 HydrophobicContact CB-CB 4.44Å; V69-F77 HydrophobicContact CG2-CB 4.37Å; V69-F77 HydrophobicContact CG2-CD1 4.19Å; Q70-F77 WeakPolarHBondContact O-CA 3.5Å; A71-F77 HydrophobicContact CB-CD1 3.97Å; A71-F77 HydrophobicContact CB-CE1 3.68Å; G75-F77 WeakPolarHBondContact O-CE2 3.36Å
78Q93.1Very high91.9Very high124 Ų12470 Ų7058%0.57941%0.406SS*.EExtended strand (participates in β ladder)trans-132.4145.9178.3-173.8170.8-10.200109.8V69 Q70 M72 P80V69-Q78 CarbonylContact C-O 3.56Å; V69-Q78 WeakPolarHBondContact CA-O 3.35Å; Q70-Q78 PolarHBondContact N-O 2.75Å; Q70-Q78 PolarHBondContact O-N 2.85Å; M72-Q78 HydrophobicContact CG-CB 4.48Å; Q78-P80 WeakPolarHBondContact O-CD 3.18Å
79K93.6Very high91.7Very high128 Ų12872.1 Ų72.156%0.55743%0.428SS*.PPolyproline II helixtrans-69.3122.2167.7177.2179171.4176.40108.4
80P94.5Very high91.6Very high11 Ų1173.9 Ų73.97%0.07143%0.432CS..PPolyproline II helixtrans-66.1155.6178.128.5-34.2000111.1M68 Q70 Q78 M84 T163M68-P80 HydrophobicContact CG-CG 3.93Å; M68-P80 WeakPolarHBondContact O-CD 3.28Å; M68-P80 HydrophobicContact SD-CG 3.83Å; Q70-P80 HydrophobicContact CB-CB 4.43Å; Q78-P80 WeakPolarHBondContact O-CD 3.18Å; P80-M84 HydrophobicContact CB-CE 4.48Å; P80-M84 HydrophobicContact CB-SD 4.21Å; P80-T163 HydrophobicContact CB-CG2 4.31Å; P80-T163 HydrophobicContact CG-CG2 4.36Å
81A94.4Very high91.6Very high56 Ų5676.9 Ų76.946%0.46345%0.452SS..PPolyproline II helixtrans-71.5157.4168.900000110.6T83 T163A81-T83 VanDerWaalsContact CB-O 3.28Å; A81-T83 WeakPolarHBondContact CB-O 3.38Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-T83 VanDerWaalsContact O-N 3.17Å; A81-T163 WeakPolarHBondContact O-CB 3.4Å; A81-T163 PolarHBondContact O-OG1 3.03Å
82A94.4Very high91.6Very high76 Ų7675.9 Ų75.963%0.62844%0.444SS*.SBendtrans-62.8-20.1175.900000113.4Y164A82-Y164 PolarHBondContact O-N 2.61Å
83T95.9Very high92Very high48 Ų4874.1 Ų74.129%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-142.1133.6169.8-68.50000107.6A81 Y164 F166 L201 K228A81-T83 VanDerWaalsContact CB-O 3.28Å; A81-T83 WeakPolarHBondContact CB-O 3.38Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-T83 VanDerWaalsContact O-N 3.17Å; T83-Y164 CarbonylContact C-O 3.58Å; T83-Y164 WeakPolarHBondContact CA-O 3.38Å; T83-F166 HydrophobicContact CG2-CD2 3.75Å; T83-F166 HydrophobicContact CG2-CE2 3.52Å; T83-L201 HydrophobicContact CG2-CD1 4.25Å; T83-L201 HydrophobicContact CG2-CD2 3.82Å; T83-K228 WeakPolarHBondContact OG1-CE 3.15Å; T83-K228 PolarHBondContact OG1-NZ 3.47Å
84M94.7Very high92.8Very high25 Ų2566.3 Ų66.312%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-143.1160.7173.764.5-179.2-176.100112.2Q70 P80 L86 T163 Y164 I165 F166Q70-M84 PolarHBondContact OE1-SD 3.27Å; Q70-M84 VanDerWaalsContact OE1-SD 3.34Å; P80-M84 HydrophobicContact CB-CE 4.48Å; P80-M84 HydrophobicContact CB-SD 4.21Å; M84-L86 HydrophobicContact CE-CD1 4.24Å; M84-T163 HydrophobicContact CE-CG2 4.18Å; M84-Y164 PolarHBondContact N-O 3.33Å; M84-I165 HydrophobicContact CE-CD1 3.51Å; M84-I165 HydrophobicContact CE-CG1 3.64Å; M84-I165 HydrophobicContact CE-CG2 4.44Å; M84-I165 HydrophobicContact CG-CG1 4.32Å; M84-F166 PolarHBondContact O-N 3Å
85S95.4Very high93.8Very high59 Ų5965.1 Ų65.141%0.41336%0.364SS..EExtended strand (participates in β ladder)trans-119.6133.4179.8-156.60000109.7F166 T168S85-F166 CarbonylContact C-O 3.55Å; S85-F166 WeakPolarHBondContact CA-O 3.43Å; S85-T168 WeakPolarHBondContact OG-CG2 3.39Å
86L95.4Very high94.6Very high32 Ų3262.4 Ų62.417%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-132158.5178.5-65.3-179.7000109.3M84 V92 I165 F166 F167 T168M84-L86 HydrophobicContact CE-CD1 4.24Å; L86-V92 HydrophobicContact CD1-CG2 3.46Å; L86-V92 VanDerWaalsContact CD1-CG2 3.46Å; L86-I165 HydrophobicContact CB-CG2 4.4Å; L86-I165 HydrophobicContact CD1-CG2 3.84Å; L86-I165 HydrophobicContact CG-CG2 4.14Å; L86-F166 PolarHBondContact N-O 3.33Å; L86-F167 HydrophobicContact CB-CD1 3.94Å; L86-F167 HydrophobicContact CB-CE1 4.01Å; L86-F167 HydrophobicContact CD1-CE1 4.04Å; L86-F167 CarbonylContact O-C 3.57Å; L86-F167 WeakPolarHBondContact O-CA 3.41Å; L86-T168 PolarHBondContact O-N 3.22Å; L86-T168 PolarHBondContact O-OG1 2.86Å; L86-T168 VanDerWaalsContact O-OG1 3.1Å
87M95.4Very high94.8Very high102 Ų10260.8 Ų60.850%0.50233%0.334SS..EExtended strand (participates in β ladder)trans-82146.5174.8-65.9-61.1-55.300110.6Q90 S133 T168M87-Q90 HydrophobicContact CB-CG 4.09Å; M87-Q90 WeakPolarHBondContact O-CB 3.28Å; M87-Q90 WeakPolarHBondContact O-CG 3.45Å; M87-Q90 PolarHBondContact O-N 3.01Å; M87-S133 PolarHBondContact O-OG 2.95Å; M87-T168 PolarHBondContact SD-OG1 3.06Å
88A94.7Very high94.8Very high29 Ų2956 Ų5624%0.2432%0.317CS..THydrogen-bonded Turntrans-58.3150.4162.500000111Q90 S133 T168 E169A88-Q90 VanDerWaalsContact C-N 3.3Å; A88-S133 CarbonylContact C-O 3.54Å; A88-S133 WeakPolarHBondContact CA-O 3.41Å; A88-T168 PolarHBondContact N-O 2.95Å; A88-E169 HydrophobicContact CB-CB 4Å; A88-E169 HydrophobicContact CB-CG 4.19Å
89G93.8Very high94.5Very high45 Ų4554.1 Ų54.146%0.46432%0.317SS..THydrogen-bonded Turntrans84.1-11.1-170.800000114.8S133G89-S133 PolarHBondContact N-O 2.82Å
90Q93.5Very high94.3Very high86 Ų8654.1 Ų54.140%0.40232%0.317SS..  trans-74.6165.2179.7-67.7-171.4-48.700112.4M87 A88 N132 S133M87-Q90 HydrophobicContact CB-CG 4.09Å; M87-Q90 WeakPolarHBondContact O-CB 3.28Å; M87-Q90 WeakPolarHBondContact O-CG 3.45Å; M87-Q90 PolarHBondContact O-N 3.01Å; A88-Q90 VanDerWaalsContact C-N 3.3Å; Q90-N132 PolarHBondContact O-N 2.92Å; Q90-S133 PolarHBondContact N-OG 2.99Å; Q90-S133 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact O-OG 2.83Å
91T94.7Very high94.2Very high86 Ų8654.3 Ų54.353%0.52832%0.318SS..  trans-106.6134.3169-65.60000108.9T129 L130 V131T91-T129 HydrophobicContact CG2-CG2 4.08Å; T91-L130 CarbonylContact C-O 3.6Å; T91-L130 WeakPolarHBondContact CA-O 3.41Å; T91-V131 HydrophobicContact CG2-CB 4.5Å; T91-V131 HydrophobicContact CG2-CG1 3.81Å
92V95.1Very high94.2Very high1 Ų156 Ų561%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-111.2127.6175-177.50000109L86 L94 T129 L130 I165 F167L86-V92 HydrophobicContact CD1-CG2 3.46Å; L86-V92 VanDerWaalsContact CD1-CG2 3.46Å; V92-L94 HydrophobicContact CG1-CD2 4.33Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.18Å; V92-L130 PolarHBondContact N-O 3.22Å; V92-L130 PolarHBondContact O-N 2.85Å; V92-I165 HydrophobicContact CG1-CD1 3.96Å; V92-F167 HydrophobicContact CG2-CE1 3.61Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å
93E96.2Very high94.3Very high42 Ų4253.4 Ų53.420%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-122.6118.4169-177.3-177.6131.600110.1Q70 A71 R95 Q127 L128Q70-E93 WeakPolarHBondContact CA-O 3.1Å; A71-E93 HydrophobicContact CB-CB 4.06Å; A71-E93 HydrophobicContact CB-CG 4.04Å; A71-E93 PolarHBondContact N-O 2.71Å; E93-R95 IonicContact OE1-CZ 3.16Å; E93-R95 IonicContact OE1-NE 2.67Å; E93-R95 PolarHBondContact OE1-NE 2.8Å; E93-R95 IonicContact OE1-NH2 3.09Å; E93-R95 PolarHBondContact OE1-NH2 3.41Å; E93-Q127 HydrophobicContact CG-CG 4.08Å; E93-Q127 PolarHBondContact OE2-NE2 2.02Å; E93-L128 WeakPolarHBondContact CA-O 3.44Å
94L97.1Very high94.3Very high0 Ų053.6 Ų53.60%029%0.294CS..EExtended strand (participates in β ladder)trans-111139.8173.7-60.2176.6000109M68 Q70 V92 W103 Q127 L128 F141 T163 I165M68-L94 HydrophobicContact CE-CD1 4.17Å; M68-L94 HydrophobicContact CG-CD2 4.49Å; M68-L94 HydrophobicContact SD-CD1 4.04Å; M68-L94 HydrophobicContact SD-CD2 4.21Å; Q70-L94 HydrophobicContact CB-CD2 4.01Å; Q70-L94 HydrophobicContact CG-CD2 4.23Å; V92-L94 HydrophobicContact CG1-CD2 4.33Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; L94-W103 HydrophobicContact CB-CH2 3.75Å; L94-W103 HydrophobicContact CB-CZ3 3.91Å; L94-W103 HydrophobicContact CD1-CZ3 4.35Å; L94-Q127 CarbonylContact O-C 3.58Å; L94-Q127 WeakPolarHBondContact O-CA 3.4Å; L94-L128 PolarHBondContact N-O 2.9Å; L94-L128 PolarHBondContact O-N 2.79Å; L94-F141 HydrophobicContact CD1-CB 3.68Å; L94-F141 HydrophobicContact CD1-CD1 4.45Å; L94-F141 HydrophobicContact CD1-CG 4.28Å; L94-T163 HydrophobicContact CD1-CG2 4.16Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; L94-I165 HydrophobicContact CD1-CD1 4.49Å
95R96.4Very high94.3Very high55 Ų5554.4 Ų54.421%0.20830%0.296CS..EExtended strand (participates in β ladder)trans-126.7137.6173.1-61.1-178.1-174.5-164.61.9109.8M68 V69 E93 Y125 G126 Q127M68-R95 CarbonylContact C-O 3.56Å; M68-R95 WeakPolarHBondContact CA-O 3.4Å; V69-R95 HydrophobicContact CG2-CB 4.04Å; V69-R95 PolarHBondContact N-O 2.8Å; V69-R95 PolarHBondContact O-N 3.18Å; E93-R95 IonicContact OE1-CZ 3.16Å; E93-R95 IonicContact OE1-NE 2.67Å; E93-R95 PolarHBondContact OE1-NE 2.8Å; E93-R95 IonicContact OE1-NH2 3.09Å; E93-R95 PolarHBondContact OE1-NH2 3.41Å; R95-Y125 HydrophobicContact CB-CD2 4.03Å; R95-Y125 HydrophobicContact CG-CD2 3.93Å; R95-Y125 HydrophobicContact CG-CE2 4.1Å; R95-Y125 PolarHBondContact NH1-OH 2.84Å; R95-G126 CarbonylContact C-O 3.52Å; R95-G126 VanDerWaalsContact CA-O 3.29Å; R95-G126 WeakPolarHBondContact CA-O 3.24Å; R95-Q127 HydrophobicContact CG-CB 4.26Å; R95-Q127 HydrophobicContact CG-CG 4.2Å
96C96.2Very high94.2Very high0 Ų052.5 Ų52.50%028%0.282CS..EExtended strand (participates in β ladder)trans-124.1123.1-179.4-73.90000110.8I67 G98 V101 W103 Y125 G126 C143I67-C96 HydrophobicContact CD1-CB 3.96Å; I67-C96 HydrophobicContact CG1-CB 4.21Å; I67-C96 WeakPolarHBondContact O-CA 3.28Å; C96-G98 PolarHBondContact O-N 3.06Å; C96-V101 HydrophobicContact CB-CG1 3.79Å; C96-W103 HydrophobicContact CB-CH2 4.09Å; C96-W103 HydrophobicContact CB-CZ2 3.91Å; C96-W103 WeakPolarHBondContact SG-CH2 3.31Å; C96-Y125 CarbonylContact O-C 3.44Å; C96-Y125 WeakPolarHBondContact O-CA 3.42Å; C96-Y125 WeakPolarHBondContact O-CB 3.08Å; C96-G126 PolarHBondContact N-O 3.22Å; C96-G126 PolarHBondContact O-N 2.93Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.34Å; C96-C143 WeakPolarHBondContact SG-CB 3.46Å; C96-C143 CovalentContact SG-SG 2.02Å; C96-C143 PolarHBondContact SG-SG 2.81Å
97K94.4Very high93.9Very high161 Ų16156.2 Ų56.270%0.731%0.306SS*.EExtended strand (participates in β ladder)trans-70.6112.7-170.5-174.9-178.5176.1-175.70112.2I67I67-K97 HydrophobicContact CB-CB 4.3Å; I67-K97 PolarHBondContact O-N 3.4Å
98G91.3Very high93.4Very high11 Ų1154.8 Ų54.811%0.11330%0.295CS..SBendtrans163.5149.4179.400000112.6C96 Q121 R124 Y125C96-G98 PolarHBondContact O-N 3.06Å; G98-Q121 PolarHBondContact O-NE2 3.48Å; G98-R124 PolarHBondContact N-O 3.15Å; G98-R124 CarbonylContact O-C 3.53Å; G98-Y125 CarbonylContact O-C 3.55Å; G98-Y125 WeakPolarHBondContact O-CA 3.44Å; G98-Y125 PolarHBondContact O-N 2.93Å; G98-Y125 VanDerWaalsContact O-N 3.15Å
99S87.3Confident93.1Very high83 Ų8353.5 Ų53.558%0.5829%0.285SS*.SBendtrans-80.3-1617650.90000114Q121 E123S99-Q121 PolarHBondContact O-NE2 2.91Å; S99-E123 WeakPolarHBondContact CA-O 3.42Å; S99-E123 VanDerWaalsContact CB-O 3.24Å; S99-E123 WeakPolarHBondContact CB-O 3.39Å
100K89.2Confident92.6Very high128 Ų12855.4 Ų55.456%0.55728%0.284SS*.SBendtrans-138114.7167.2-64.9-170.8178.5-171.60108.1Q146K100-Q146 HydrophobicContact CB-CB 4.47Å
101V93.5Very high91.8Very high15 Ų1556 Ų569%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-135.5126.5-178.3177.90000109.4C96 C143 W144C96-V101 HydrophobicContact CB-CG1 3.79Å; V101-C143 HydrophobicContact CG1-CB 3.91Å; V101-W144 WeakPolarHBondContact CA-O 3.37Å
102E94.2Very high90.7Very high92 Ų9260 Ų6043%0.4330%0.304SS..EExtended strand (participates in β ladder)trans-93.8152.7172.3-160.564-121.600109.5C143 W144E102-C143 CarbonylContact O-C 3.58Å; E102-C143 VanDerWaalsContact O-CA 3.25Å; E102-C143 WeakPolarHBondContact O-CA 3.35Å; E102-W144 HydrophobicContact CB-CD2 4.15Å; E102-W144 HydrophobicContact CB-CG 4.4Å; E102-W144 HydrophobicContact CB-CZ2 3.79Å; E102-W144 HydrophobicContact CG-CH2 4.15Å; E102-W144 HydrophobicContact CG-CZ2 3.42Å; E102-W144 VanDerWaalsContact CG-CZ2 3.42Å; E102-W144 PolarHBondContact N-O 3.17Å; E102-W144 PolarHBondContact O-N 2.85Å
103W95.3Very high89.6Confident22 Ų2269.1 Ų69.18%0.08334%0.343CS..EExtended strand (participates in β ladder)trans-125158.5-176.8-71.587.7000112.4M68 L94 C96 Y105 V119 L128 S142 C143M68-W103 HydrophobicContact CE-CZ3 4.02Å; L94-W103 HydrophobicContact CB-CH2 3.75Å; L94-W103 HydrophobicContact CB-CZ3 3.91Å; L94-W103 HydrophobicContact CD1-CZ3 4.35Å; C96-W103 HydrophobicContact CB-CH2 4.09Å; C96-W103 HydrophobicContact CB-CZ2 3.91Å; C96-W103 WeakPolarHBondContact SG-CH2 3.31Å; W103-Y105 HydrophobicContact CB-CD1 4.18Å; W103-Y105 HydrophobicContact CB-CE1 4Å; W103-V119 HydrophobicContact CG-CG1 4.21Å; W103-L128 HydrophobicContact CD2-CB 3.98Å; W103-L128 HydrophobicContact CD2-CD1 4.08Å; W103-L128 HydrophobicContact CE3-CB 3.78Å; W103-L128 HydrophobicContact CE3-CD1 3.61Å; W103-L128 HydrophobicContact CE3-CG 4.35Å; W103-L128 HydrophobicContact CH2-CB 3.72Å; W103-L128 HydrophobicContact CZ2-CB 3.92Å; W103-L128 HydrophobicContact CZ3-CB 3.64Å; W103-L128 HydrophobicContact CZ3-CD1 4.1Å; W103-L128 HydrophobicContact CZ3-CG 4.46Å; W103-S142 CarbonylContact C-O 3.57Å; W103-S142 WeakPolarHBondContact CA-O 3.08Å; W103-C143 HydrophobicContact CD2-CB 3.9Å; W103-C143 HydrophobicContact CE3-CB 3.72Å; W103-C143 HydrophobicContact CH2-CB 4.21Å; W103-C143 HydrophobicContact CZ2-CB 4.36Å; W103-C143 HydrophobicContact CZ3-CB 3.89Å
104S95.8Very high88.8Confident52 Ų5269 Ų6936%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-145.6142.5167.2177.90000109.1S142S104-S142 PolarHBondContact N-O 3.4Å; S104-S142 PolarHBondContact O-N 3.47Å; S104-S142 VanDerWaalsContact O-O 3.11Å
105Y95.1Very high88.3Confident42 Ų4274.8 Ų74.817%0.16539%0.385CS..  trans-158.4176-173.240.5-96.7000107.6W103 T107 L109 D110 L117 V119 L128 E140W103-Y105 HydrophobicContact CB-CD1 4.18Å; W103-Y105 HydrophobicContact CB-CE1 4Å; Y105-T107 PolarHBondContact O-N 3.34Å; Y105-T107 VanDerWaalsContact O-N 3.13Å; Y105-L109 HydrophobicContact CD2-CB 4.26Å; Y105-L109 HydrophobicContact CD2-CD1 4.12Å; Y105-L109 HydrophobicContact CE2-CB 4.36Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.39Å; Y105-D110 PolarHBondContact OH-OD1 3.49Å; Y105-L117 HydrophobicContact CD2-CD2 3.82Å; Y105-L117 HydrophobicContact CE1-CD2 4.3Å; Y105-L117 HydrophobicContact CE2-CD2 3.37Å; Y105-L117 HydrophobicContact CG-CD2 4.44Å; Y105-V119 HydrophobicContact CE1-CG2 4.06Å; Y105-L128 HydrophobicContact CD1-CD1 3.5Å; Y105-L128 HydrophobicContact CE1-CD1 4.08Å; Y105-L128 HydrophobicContact CG-CD1 4.23Å; Y105-E140 WeakPolarHBondContact CA-O 3.31Å
106P93.4Very high88.2Confident18 Ų1874.1 Ų74.112%0.11738%0.382CS..  trans-56118.2178.3-29.238.4000112.8Y108 L109 F141P106-Y108 HydrophobicContact CB-CD1 3.81Å; P106-Y108 HydrophobicContact CB-CE1 3.86Å; P106-Y108 PolarHBondContact O-N 2.67Å; P106-L109 WeakPolarHBondContact O-CB 3.39Å; P106-L109 PolarHBondContact O-N 3.18Å; P106-L109 VanDerWaalsContact O-N 3.14Å; P106-F141 HydrophobicContact CG-CE2 4.31Å; P106-F141 HydrophobicContact CG-CZ 4.31Å
107T88.8Confident88.1Confident110 Ų11075.5 Ų75.568%0.67539%0.389SS*.THydrogen-bonded Turntrans-62.6-17.9-168.4500000115.3Y105 L109 D110 T111Y105-T107 PolarHBondContact O-N 3.34Å; Y105-T107 VanDerWaalsContact O-N 3.13Å; T107-L109 PolarHBondContact O-N 2.93Å; T107-D110 WeakPolarHBondContact O-CB 3.49Å; T107-D110 PolarHBondContact O-N 3.05Å; T107-T111 PolarHBondContact O-OG1 3.17Å
108Y85.7Confident88.1Confident72 Ų7270 Ų7028%0.28237%0.372SS..Hα-helixtrans-66.1-21.2177.287.4-85.7000112.8P106 D110 T111 A136 D137P106-Y108 HydrophobicContact CB-CD1 3.81Å; P106-Y108 HydrophobicContact CB-CE1 3.86Å; P106-Y108 PolarHBondContact O-N 2.67Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-T111 WeakPolarHBondContact O-CB 3.47Å; Y108-T111 PolarHBondContact O-N 3.09Å; Y108-A136 HydrophobicContact CE1-CB 4.41Å; Y108-A136 VanDerWaalsContact CE1-O 3.24Å; Y108-A136 WeakPolarHBondContact CE1-O 3.33Å; Y108-A136 HydrophobicContact CE2-CB 4.36Å; Y108-A136 WeakPolarHBondContact OH-CB 3.17Å; Y108-D137 WeakPolarHBondContact OH-CA 3.34Å; Y108-D137 PolarHBondContact OH-N 2.84Å; Y108-D137 VanDerWaalsContact OH-N 3.08Å; Y108-D137 PolarHBondContact OH-OD1 3.15Å; Y108-D137 VanDerWaalsContact OH-OD1 3.05Å; Y108-D137 PolarHBondContact OH-OD2 2.89Å
109L87.5Confident88.3Confident3 Ų372.6 Ų72.62%0.01639%0.385CS..Hα-helixtrans-66.4-34.9174.4-70.6167.4000112.2Y105 P106 T107 D114 R116 L117 L130Y105-L109 HydrophobicContact CD2-CB 4.26Å; Y105-L109 HydrophobicContact CD2-CD1 4.12Å; Y105-L109 HydrophobicContact CE2-CB 4.36Å; P106-L109 WeakPolarHBondContact O-CB 3.39Å; P106-L109 PolarHBondContact O-N 3.18Å; P106-L109 VanDerWaalsContact O-N 3.14Å; T107-L109 PolarHBondContact O-N 2.93Å; L109-D114 HydrophobicContact CD2-CB 4.01Å; L109-D114 PolarHBondContact O-N 2.94Å; L109-R116 VanDerWaalsContact CD2-NH2 3.33Å; L109-L117 HydrophobicContact CB-CD2 3.95Å; L109-L117 HydrophobicContact CD1-CD2 4.23Å; L109-L130 HydrophobicContact CD2-CD1 4.37Å
110D84.6Confident88.6Confident85 Ų8574.4 Ų74.446%0.45538%0.382SS..Hα-helixtrans-69.4-39.2176-64-62.1000111.6Y105 T107 Y108 F112 K113Y105-D110 WeakPolarHBondContact CE2-OD1 3.39Å; Y105-D110 PolarHBondContact OH-OD1 3.49Å; T107-D110 WeakPolarHBondContact O-CB 3.49Å; T107-D110 PolarHBondContact O-N 3.05Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 3.05Å; D110-F112 VanDerWaalsContact O-N 3.11Å; D110-K113 PolarHBondContact O-N 3.34Å; D110-K113 VanDerWaalsContact O-N 3.13Å
111T76.9Confident88.9Confident98 Ų9872.5 Ų72.560%0.60138%0.375SS*.Hα-helixtrans-54.4-36.4-172.1-48.50000113.2T107 Y108T107-T111 PolarHBondContact O-OG1 3.17Å; Y108-T111 WeakPolarHBondContact O-CB 3.47Å; Y108-T111 PolarHBondContact O-N 3.09Å
112F70.3Confident88.9Confident169 Ų16974.6 Ų74.674%0.74139%0.386SS*.THydrogen-bonded Turntrans-110.93-176.9-59.8-73.9000113.9D110 D114D110-F112 PolarHBondContact O-N 3.05Å; D110-F112 VanDerWaalsContact O-N 3.11Å; F112-D114 VanDerWaalsContact C-N 3.34Å
113K72.5Confident88.7Confident193 Ų19378 Ų7884%0.83940%0.402SS*.THydrogen-bonded Turntrans48.754.5-169.3-61.6-179.3179.1177.10111.5D110 S115D110-K113 PolarHBondContact O-N 3.34Å; D110-K113 VanDerWaalsContact O-N 3.13Å; K113-S115 PolarHBondContact O-N 3.36Å
114D79.9Confident88.6Confident40 Ų4086.2 Ų86.221%0.21443%0.433CS..  trans-56119.4-170.8-169.5-22.4000111.7L109 F112 R116 L117L109-D114 HydrophobicContact CD2-CB 4.01Å; L109-D114 PolarHBondContact O-N 2.94Å; F112-D114 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 3.38Å; D114-R116 VanDerWaalsContact O-N 3.11Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 WeakPolarHBondContact OD1-CG 3.41Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 IonicContact OD1-NE 2.73Å; D114-R116 PolarHBondContact OD1-NE 3.18Å; D114-R116 IonicContact OD2-CZ 3.4Å; D114-R116 IonicContact OD2-NE 3.75Å; D114-R116 PolarHBondContact OD2-NE 3.2Å; D114-R116 IonicContact OD2-NH2 3.66Å; D114-R116 PolarHBondContact OD2-NH2 2.82Å; D114-L117 PolarHBondContact O-N 2.89Å
115S86.9Confident88.5Confident122 Ų12286.9 Ų86.985%0.85343%0.428SS*.THydrogen-bonded Turntrans-66.1-11.8-178.360.30000113.7K113 L117K113-S115 PolarHBondContact O-N 3.36Å; S115-L117 VanDerWaalsContact C-N 3.33Å
116R93.2Very high88.5Confident40 Ų4084.9 Ų84.915%0.15142%0.42CS..THydrogen-bonded Turntrans-70.5-27.3169.8-63.7-177-51.6125.312.1113.2L109 D114 L130 V131 N132 D137L109-R116 VanDerWaalsContact CD2-NH2 3.33Å; D114-R116 PolarHBondContact O-N 3.38Å; D114-R116 VanDerWaalsContact O-N 3.11Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 WeakPolarHBondContact OD1-CG 3.41Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 IonicContact OD1-NE 2.73Å; D114-R116 PolarHBondContact OD1-NE 3.18Å; D114-R116 IonicContact OD2-CZ 3.4Å; D114-R116 IonicContact OD2-NE 3.75Å; D114-R116 PolarHBondContact OD2-NE 3.2Å; D114-R116 IonicContact OD2-NH2 3.66Å; D114-R116 PolarHBondContact OD2-NH2 2.82Å; R116-L130 HydrophobicContact CB-CD1 4.07Å; R116-L130 WeakPolarHBondContact O-CA 3.16Å; R116-V131 HydrophobicContact CB-CG2 4.15Å; R116-V131 WeakPolarHBondContact CB-O 3.32Å; R116-V131 HydrophobicContact CG-CG2 4.44Å; R116-V131 PolarHBondContact O-N 2.81Å; R116-N132 PolarHBondContact NH1-O 2.84Å; R116-D137 IonicContact CZ-OD1 3.3Å; R116-D137 IonicContact CZ-OD2 3.68Å; R116-D137 IonicContact NH1-OD1 2.82Å; R116-D137 PolarHBondContact NH1-OD1 2.87Å; R116-D137 IonicContact NH1-OD2 2.73Å; R116-D137 PolarHBondContact NH1-OD2 2.85Å; R116-D137 IonicContact NH2-OD1 3.78Å; R116-D137 PolarHBondContact NH2-OD1 3.01Å; R116-D137 IonicContact NH2-OD2 3.21Å; R116-D137 PolarHBondContact NH2-OD2 2.9Å
117L94.5Very high88.7Confident29 Ų2985.2 Ų85.215%0.15242%0.42CS..EExtended strand (participates in β ladder)trans-95.3133.2-177.5-176.266.8000111.1Y105 L109 D114 S115 L128 L130Y105-L117 HydrophobicContact CD2-CD2 3.82Å; Y105-L117 HydrophobicContact CE1-CD2 4.3Å; Y105-L117 HydrophobicContact CE2-CD2 3.37Å; Y105-L117 HydrophobicContact CG-CD2 4.44Å; L109-L117 HydrophobicContact CB-CD2 3.95Å; L109-L117 HydrophobicContact CD1-CD2 4.23Å; D114-L117 PolarHBondContact O-N 2.89Å; S115-L117 VanDerWaalsContact C-N 3.33Å; L117-L128 HydrophobicContact CD1-CD1 4.25Å; L117-L128 HydrophobicContact CD1-CD2 3.96Å; L117-L128 HydrophobicContact CD1-CG 3.92Å; L117-L130 HydrophobicContact CB-CD1 4.41Å; L117-L130 HydrophobicContact CD1-CB 4.37Å; L117-L130 HydrophobicContact CD1-CD1 4.43Å
118S94.5Very high89Confident47 Ų4780 Ų8033%0.32939%0.388SS..EExtended strand (participates in β ladder)trans-139.2114175.7-156.10000110.9K120 T129S118-K120 WeakPolarHBondContact OG-CE 3.29Å; S118-T129 PolarHBondContact N-O 3.25Å; S118-T129 PolarHBondContact O-N 2.82Å
119V94.9Very high89.5Confident64 Ų6477.7 Ų77.739%0.38838%0.381SS..EExtended strand (participates in β ladder)trans-104.4129.4172.8-177.50000109W103 Y105 Q127 L128W103-V119 HydrophobicContact CG-CG1 4.21Å; Y105-V119 HydrophobicContact CE1-CG2 4.06Å; V119-Q127 CarbonylContact C-O 3.56Å; V119-Q127 WeakPolarHBondContact CA-O 3.4Å; V119-L128 HydrophobicContact CG2-CB 4.47Å; V119-L128 HydrophobicContact CG2-CD1 4.21Å; V119-L128 HydrophobicContact CG2-CG 4.18Å
120K94.8Very high89.9Confident122 Ų12277.5 Ų77.553%0.5338%0.381SS..EExtended strand (participates in β ladder)trans-137.2136.3-176.9-61.8-179.4-174.9173.10110.3S118 G126 Q127S118-K120 WeakPolarHBondContact OG-CE 3.29Å; K120-G126 CarbonylContact O-C 3.6Å; K120-Q127 PolarHBondContact N-O 2.69Å; K120-Q127 PolarHBondContact O-N 2.67Å
121Q95.1Very high90.4Very high87 Ų8776.4 Ų76.441%0.40738%0.377SS..EExtended strand (participates in β ladder)trans-102.6115.7173.9-179.965.574.200109.7G98 S99 Y125G98-Q121 PolarHBondContact O-NE2 3.48Å; S99-Q121 PolarHBondContact O-NE2 2.91Å; Q121-Y125 VanDerWaalsContact NE2-C 3.31Å; Q121-Y125 PolarHBondContact NE2-O 2.96Å
122N93.1Very high91.2Very high59 Ų5976.7 Ų76.732%0.31637%0.374SS..EExtended strand (participates in β ladder)trans-102.5162.9173.6-59.41.2000108.8R124 Y125N122-R124 PolarHBondContact O-N 2.89Å; N122-Y125 WeakPolarHBondContact CA-O 3.41Å; N122-Y125 HydrophobicContact CB-CD2 4.4Å; N122-Y125 HydrophobicContact CB-CE1 4.27Å; N122-Y125 HydrophobicContact CB-CE2 4.17Å; N122-Y125 WeakPolarHBondContact CB-O 3.34Å; N122-Y125 PolarHBondContact N-O 2.97Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.32Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 VanDerWaalsContact ND2-CZ 3.28Å; N122-Y125 PolarHBondContact ND2-OH 3.32Å; N122-Y125 PolarHBondContact O-N 3.01Å; N122-Y125 VanDerWaalsContact O-O 3.11Å
123E90.7Very high92.4Very high164 Ų16468.7 Ų68.777%0.76634%0.34SS*.THydrogen-bonded Turntrans-49.4-33.6-173.9-63-175.5161.600115.5S99S99-E123 WeakPolarHBondContact CA-O 3.42Å; S99-E123 VanDerWaalsContact CB-O 3.24Å; S99-E123 WeakPolarHBondContact CB-O 3.39Å
124R92.3Very high93.4Very high194 Ų19461.2 Ų61.273%0.73231%0.312SS*.THydrogen-bonded Turntrans-118.6-9.1-171-57.3-175.4-173.1-164-0.4114.1G98 N122G98-R124 PolarHBondContact N-O 3.15Å; G98-R124 CarbonylContact O-C 3.53Å; N122-R124 PolarHBondContact O-N 2.89Å
125Y94.4Very high94.1Very high67 Ų6759.6 Ų59.626%0.26330%0.304SS..EExtended strand (participates in β ladder)trans-157.6144.2179.658.4-86.3000111.7R95 C96 G98 Q121 N122 Q127R95-Y125 HydrophobicContact CB-CD2 4.03Å; R95-Y125 HydrophobicContact CG-CD2 3.93Å; R95-Y125 HydrophobicContact CG-CE2 4.1Å; R95-Y125 PolarHBondContact NH1-OH 2.84Å; C96-Y125 CarbonylContact O-C 3.44Å; C96-Y125 WeakPolarHBondContact O-CA 3.42Å; C96-Y125 WeakPolarHBondContact O-CB 3.08Å; G98-Y125 CarbonylContact O-C 3.55Å; G98-Y125 WeakPolarHBondContact O-CA 3.44Å; G98-Y125 PolarHBondContact O-N 2.93Å; G98-Y125 VanDerWaalsContact O-N 3.15Å; Q121-Y125 VanDerWaalsContact NE2-C 3.31Å; Q121-Y125 PolarHBondContact NE2-O 2.96Å; N122-Y125 WeakPolarHBondContact CA-O 3.41Å; N122-Y125 HydrophobicContact CB-CD2 4.4Å; N122-Y125 HydrophobicContact CB-CE1 4.27Å; N122-Y125 HydrophobicContact CB-CE2 4.17Å; N122-Y125 WeakPolarHBondContact CB-O 3.34Å; N122-Y125 PolarHBondContact N-O 2.97Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.32Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 VanDerWaalsContact ND2-CZ 3.28Å; N122-Y125 PolarHBondContact ND2-OH 3.32Å; N122-Y125 PolarHBondContact O-N 3.01Å; N122-Y125 VanDerWaalsContact O-O 3.11Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 4.12Å
126G95.6Very high94.4Very high0 Ų054.9 Ų54.90%027%0.272CS..EExtended strand (participates in β ladder)trans-75.8147.8155.900000109.7R95 C96 K120R95-G126 CarbonylContact C-O 3.52Å; R95-G126 VanDerWaalsContact CA-O 3.29Å; R95-G126 WeakPolarHBondContact CA-O 3.24Å; C96-G126 PolarHBondContact N-O 3.22Å; C96-G126 PolarHBondContact O-N 2.93Å; K120-G126 CarbonylContact O-C 3.6Å
127Q96.1Very high94.5Very high25 Ų2553 Ų5312%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-127.4135.2174175.5172.1-28.800109.5E93 L94 R95 V119 K120 Y125 T129E93-Q127 HydrophobicContact CG-CG 4.08Å; E93-Q127 PolarHBondContact OE2-NE2 2.02Å; L94-Q127 CarbonylContact O-C 3.58Å; L94-Q127 WeakPolarHBondContact O-CA 3.4Å; R95-Q127 HydrophobicContact CG-CB 4.26Å; R95-Q127 HydrophobicContact CG-CG 4.2Å; V119-Q127 CarbonylContact C-O 3.56Å; V119-Q127 WeakPolarHBondContact CA-O 3.4Å; K120-Q127 PolarHBondContact N-O 2.69Å; K120-Q127 PolarHBondContact O-N 2.67Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 4.12Å; Q127-T129 PolarHBondContact NE2-OG1 2.85Å
128L96.6Very high94.6Very high0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7126167.6-178.8156.2000107.5E93 L94 W103 Y105 L117 V119 L130 F141E93-L128 WeakPolarHBondContact CA-O 3.44Å; L94-L128 PolarHBondContact N-O 2.9Å; L94-L128 PolarHBondContact O-N 2.79Å; W103-L128 HydrophobicContact CD2-CB 3.98Å; W103-L128 HydrophobicContact CD2-CD1 4.08Å; W103-L128 HydrophobicContact CE3-CB 3.78Å; W103-L128 HydrophobicContact CE3-CD1 3.61Å; W103-L128 HydrophobicContact CE3-CG 4.35Å; W103-L128 HydrophobicContact CH2-CB 3.72Å; W103-L128 HydrophobicContact CZ2-CB 3.92Å; W103-L128 HydrophobicContact CZ3-CB 3.64Å; W103-L128 HydrophobicContact CZ3-CD1 4.1Å; W103-L128 HydrophobicContact CZ3-CG 4.46Å; Y105-L128 HydrophobicContact CD1-CD1 3.5Å; Y105-L128 HydrophobicContact CE1-CD1 4.08Å; Y105-L128 HydrophobicContact CG-CD1 4.23Å; L117-L128 HydrophobicContact CD1-CD1 4.25Å; L117-L128 HydrophobicContact CD1-CD2 3.96Å; L117-L128 HydrophobicContact CD1-CG 3.92Å; V119-L128 HydrophobicContact CG2-CB 4.47Å; V119-L128 HydrophobicContact CG2-CD1 4.21Å; V119-L128 HydrophobicContact CG2-CG 4.18Å; L128-L130 HydrophobicContact CD2-CB 4.49Å; L128-F141 HydrophobicContact CD1-CD1 4.29Å; L128-F141 HydrophobicContact CD2-CD1 4.12Å; L128-F141 HydrophobicContact CD2-CE1 4.3Å
129T95.7Very high94.7Very high23 Ų2349.5 Ų49.514%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-122.4128.5173.1-59.30000108.9T91 V92 S118 Q127 V131T91-T129 HydrophobicContact CG2-CG2 4.08Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.18Å; S118-T129 PolarHBondContact N-O 3.25Å; S118-T129 PolarHBondContact O-N 2.82Å; Q127-T129 PolarHBondContact NE2-OG1 2.85Å; T129-V131 HydrophobicContact CG2-CG1 4.19Å
130L96.1Very high94.8Very high0 Ų050.9 Ų50.90%025%0.245CC..EExtended strand (participates in β ladder)trans-121.1110.9173.8175.166.2000108T91 V92 L109 R116 L117 L128 D137 F141 F167T91-L130 CarbonylContact C-O 3.6Å; T91-L130 WeakPolarHBondContact CA-O 3.41Å; V92-L130 PolarHBondContact N-O 3.22Å; V92-L130 PolarHBondContact O-N 2.85Å; L109-L130 HydrophobicContact CD2-CD1 4.37Å; R116-L130 HydrophobicContact CB-CD1 4.07Å; R116-L130 WeakPolarHBondContact O-CA 3.16Å; L117-L130 HydrophobicContact CB-CD1 4.41Å; L117-L130 HydrophobicContact CD1-CB 4.37Å; L117-L130 HydrophobicContact CD1-CD1 4.43Å; L128-L130 HydrophobicContact CD2-CB 4.49Å; L130-D137 HydrophobicContact CD2-CB 3.92Å; L130-D137 WeakPolarHBondContact CD2-OD1 3.29Å; L130-F141 HydrophobicContact CD2-CE1 4.24Å; L130-F141 HydrophobicContact CD2-CZ 4.02Å; L130-F167 HydrophobicContact CD2-CE2 4.45Å; L130-F167 HydrophobicContact CD2-CZ 4.22Å
131V95Very high95Very high61 Ų6145.1 Ų45.137%0.3722%0.22SC..  trans-92.4150.9177.3-62.10000111.4T91 R116 T129 S133T91-V131 HydrophobicContact CG2-CB 4.5Å; T91-V131 HydrophobicContact CG2-CG1 3.81Å; R116-V131 HydrophobicContact CB-CG2 4.15Å; R116-V131 WeakPolarHBondContact CB-O 3.32Å; R116-V131 HydrophobicContact CG-CG2 4.44Å; R116-V131 PolarHBondContact O-N 2.81Å; T129-V131 HydrophobicContact CG2-CG1 4.19Å; V131-S133 PolarHBondContact O-N 2.87Å
132N93.7Very high95Very high104 Ų10441.7 Ų41.756%0.55621%0.206SC*.SBendtrans50.858.8176.8-170.339.7000112.7Q90 R116Q90-N132 PolarHBondContact O-N 2.92Å; R116-N132 PolarHBondContact NH1-O 2.84Å
133S94.8Very high95.2Very high2 Ų239 Ų391%0.01419%0.192CC..  trans-63.5148.318060.40000112.5M87 A88 G89 Q90 V131 F167M87-S133 PolarHBondContact O-OG 2.95Å; A88-S133 CarbonylContact C-O 3.54Å; A88-S133 WeakPolarHBondContact CA-O 3.41Å; G89-S133 PolarHBondContact N-O 2.82Å; Q90-S133 PolarHBondContact N-OG 2.99Å; Q90-S133 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact O-OG 2.83Å; V131-S133 PolarHBondContact O-N 2.87Å; S133-F167 WeakPolarHBondContact OG-CD1 3.39Å; S133-F167 WeakPolarHBondContact OG-CE1 3.36Å
134S94.1Very high95.4Very high35 Ų3532.9 Ų32.925%0.24516%0.162CC..  trans-120167.8179.470.10000110.4A136 D137 F167S134-A136 PolarHBondContact O-N 3.19Å; S134-A136 PolarHBondContact OG-N 2.84Å; S134-D137 WeakPolarHBondContact CA-OD2 3.44Å; S134-D137 WeakPolarHBondContact CB-OD2 3.46Å; S134-D137 PolarHBondContact N-OD2 2.87Å; S134-D137 PolarHBondContact O-N 3.09Å; S134-D137 VanDerWaalsContact O-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.84Å; S134-F167 WeakPolarHBondContact O-CB 3.44Å
135S94.8Very high95.5Very high7 Ų723.6 Ų23.65%0.04913%0.127CC..G310 helixtrans-52-34.5169.541.50000113.4D137 T138 E169S135-D137 VanDerWaalsContact C-N 3.33Å; S135-D137 PolarHBondContact O-N 2.85Å; S135-T138 VanDerWaalsContact O-CB 3.28Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 3.13Å; S135-T138 PolarHBondContact O-OG1 2.91Å; S135-E169 VanDerWaalsContact CB-OE2 3.23Å; S135-E169 WeakPolarHBondContact CB-OE2 3Å; S135-E169 PolarHBondContact N-OE2 3.01Å; S135-E169 PolarHBondContact OG-OE2 3.1Å
136A93.6Very high95.2Very high22 Ų2223.3 Ų23.318%0.18213%0.128CC..G310 helixtrans-65.9-27.8178.400000114.2Y108 S134 T138 P176Y108-A136 HydrophobicContact CE1-CB 4.41Å; Y108-A136 VanDerWaalsContact CE1-O 3.24Å; Y108-A136 WeakPolarHBondContact CE1-O 3.33Å; Y108-A136 HydrophobicContact CE2-CB 4.36Å; Y108-A136 WeakPolarHBondContact OH-CB 3.17Å; S134-A136 PolarHBondContact O-N 3.19Å; S134-A136 PolarHBondContact OG-N 2.84Å; A136-T138 PolarHBondContact O-N 2.75Å; A136-P176 HydrophobicContact CB-CG 4.44Å
137D94.9Very high94.8Very high0 Ų028 Ų280%015%0.152CC..G310 helixtrans-70.9-2.1179.2-61.8-89.4000112.7Y108 R116 L130 S134 S135 G139 F141 F167Y108-D137 WeakPolarHBondContact OH-CA 3.34Å; Y108-D137 PolarHBondContact OH-N 2.84Å; Y108-D137 VanDerWaalsContact OH-N 3.08Å; Y108-D137 PolarHBondContact OH-OD1 3.15Å; Y108-D137 VanDerWaalsContact OH-OD1 3.05Å; Y108-D137 PolarHBondContact OH-OD2 2.89Å; R116-D137 IonicContact CZ-OD1 3.3Å; R116-D137 IonicContact CZ-OD2 3.68Å; R116-D137 IonicContact NH1-OD1 2.82Å; R116-D137 PolarHBondContact NH1-OD1 2.87Å; R116-D137 IonicContact NH1-OD2 2.73Å; R116-D137 PolarHBondContact NH1-OD2 2.85Å; R116-D137 IonicContact NH2-OD1 3.78Å; R116-D137 PolarHBondContact NH2-OD1 3.01Å; R116-D137 IonicContact NH2-OD2 3.21Å; R116-D137 PolarHBondContact NH2-OD2 2.9Å; L130-D137 HydrophobicContact CD2-CB 3.92Å; L130-D137 WeakPolarHBondContact CD2-OD1 3.29Å; S134-D137 WeakPolarHBondContact CA-OD2 3.44Å; S134-D137 WeakPolarHBondContact CB-OD2 3.46Å; S134-D137 PolarHBondContact N-OD2 2.87Å; S134-D137 PolarHBondContact O-N 3.09Å; S134-D137 VanDerWaalsContact O-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.84Å; S135-D137 VanDerWaalsContact C-N 3.33Å; S135-D137 PolarHBondContact O-N 2.85Å; D137-G139 PolarHBondContact O-N 2.81Å; D137-F141 WeakPolarHBondContact O-CE2 3.03Å; D137-F167 VanDerWaalsContact C-CD2 3.48Å; D137-F167 HydrophobicContact CB-CD2 3.65Å; D137-F167 HydrophobicContact CB-CE2 3.61Å; D137-F167 HydrophobicContact CB-CZ 4.46Å; D137-F167 WeakPolarHBondContact O-CE2 3.43Å
138T96.9Very high94.4Very high0 Ų029.5 Ų29.50%017%0.165CC..  trans-63123.5179.7-66.70000110.9S135 A136 Y164 I165 F166 F167 V175 R197S135-T138 VanDerWaalsContact O-CB 3.28Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 3.13Å; S135-T138 PolarHBondContact O-OG1 2.91Å; A136-T138 PolarHBondContact O-N 2.75Å; T138-Y164 HydrophobicContact CG2-CE1 3.87Å; T138-I165 WeakPolarHBondContact CA-O 3.29Å; T138-F166 HydrophobicContact CG2-CD1 4.09Å; T138-F167 PolarHBondContact OG1-N 2.74Å; T138-V175 HydrophobicContact CG2-CG2 3.54Å; T138-R197 PolarHBondContact O-NH1 3.25Å
139G96.6Very high93.9Very high3 Ų336.3 Ų36.33%0.03120%0.201CC..EExtended strand (participates in β ladder)trans169-172.2-176.400000114.1D137 Y164 I165D137-G139 PolarHBondContact O-N 2.81Å; G139-Y164 VanDerWaalsContact C-CD2 3.46Å; G139-Y164 CarbonylContact O-C 3.44Å; G139-Y164 WeakPolarHBondContact O-CA 3.28Å; G139-I165 PolarHBondContact N-O 3.16Å; G139-I165 VanDerWaalsContact N-O 3.09Å; G139-I165 PolarHBondContact O-N 2.95Å
140E97.1Very high93.4Very high93 Ų9338.3 Ų38.344%0.43523%0.227SC..EExtended strand (participates in β ladder)trans-84.5130.8172.9-168.9172.6-117.900111.1Y105 S142 S162 Y164Y105-E140 WeakPolarHBondContact CA-O 3.31Å; E140-S142 WeakPolarHBondContact CG-OG 3.34Å; E140-S142 PolarHBondContact OE2-OG 3.47Å; E140-S162 PolarHBondContact OE1-OG 2.85Å; E140-Y164 HydrophobicContact CB-CD2 3.97Å
141F97.1Very high92.8Very high1 Ų149.7 Ų49.70%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-109.6120168-68.8-102.8000107.6L94 P106 L128 L130 D137 S162 T163 I165 F167L94-F141 HydrophobicContact CD1-CB 3.68Å; L94-F141 HydrophobicContact CD1-CD1 4.45Å; L94-F141 HydrophobicContact CD1-CG 4.28Å; P106-F141 HydrophobicContact CG-CE2 4.31Å; P106-F141 HydrophobicContact CG-CZ 4.31Å; L128-F141 HydrophobicContact CD1-CD1 4.29Å; L128-F141 HydrophobicContact CD2-CD1 4.12Å; L128-F141 HydrophobicContact CD2-CE1 4.3Å; L130-F141 HydrophobicContact CD2-CE1 4.24Å; L130-F141 HydrophobicContact CD2-CZ 4.02Å; D137-F141 WeakPolarHBondContact O-CE2 3.03Å; F141-S162 CarbonylContact O-C 3.56Å; F141-S162 VanDerWaalsContact O-CA 3.31Å; F141-S162 WeakPolarHBondContact O-CA 3.28Å; F141-T163 HydrophobicContact CB-CG2 4.34Å; F141-T163 PolarHBondContact N-O 3.31Å; F141-T163 PolarHBondContact O-N 2.85Å; F141-I165 HydrophobicContact CB-CD1 4.41Å; F141-I165 HydrophobicContact CD2-CB 4.14Å; F141-I165 HydrophobicContact CD2-CD1 3.56Å; F141-I165 HydrophobicContact CD2-CG1 3.72Å; F141-I165 HydrophobicContact CE2-CB 4.18Å; F141-I165 HydrophobicContact CE2-CD1 3.97Å; F141-I165 HydrophobicContact CE2-CG1 4.21Å; F141-I165 HydrophobicContact CG-CD1 3.98Å; F141-I165 HydrophobicContact CG-CG1 4.48Å; F141-F167 HydrophobicContact CE2-CE2 4.12Å; F141-F167 HydrophobicContact CZ-CE2 4.28Å
142S96.7Very high92.4Very high15 Ų1552.3 Ų52.311%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-132.8148.2-169.4-83.50000110.8W103 S104 E140 G161 S162W103-S142 CarbonylContact C-O 3.57Å; W103-S142 WeakPolarHBondContact CA-O 3.08Å; S104-S142 PolarHBondContact N-O 3.4Å; S104-S142 PolarHBondContact O-N 3.47Å; S104-S142 VanDerWaalsContact O-O 3.11Å; E140-S142 WeakPolarHBondContact CG-OG 3.34Å; E140-S142 PolarHBondContact OE2-OG 3.47Å; S142-G161 CarbonylContact C-O 3.29Å; S142-G161 WeakPolarHBondContact CA-O 3.22Å; S142-S162 WeakPolarHBondContact OG-CB 3.48Å
143C96.4Very high92.1Very high2 Ų249.9 Ų49.91%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-143.6153.9174.270.80000110.8M68 C96 V101 E102 W103 T160 G161M68-C143 HydrophobicContact CE-CB 4.23Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.34Å; C96-C143 WeakPolarHBondContact SG-CB 3.46Å; C96-C143 CovalentContact SG-SG 2.02Å; C96-C143 PolarHBondContact SG-SG 2.81Å; V101-C143 HydrophobicContact CG1-CB 3.91Å; E102-C143 CarbonylContact O-C 3.58Å; E102-C143 VanDerWaalsContact O-CA 3.25Å; E102-C143 WeakPolarHBondContact O-CA 3.35Å; W103-C143 HydrophobicContact CD2-CB 3.9Å; W103-C143 HydrophobicContact CE3-CB 3.72Å; W103-C143 HydrophobicContact CH2-CB 4.21Å; W103-C143 HydrophobicContact CZ2-CB 4.36Å; W103-C143 HydrophobicContact CZ3-CB 3.89Å; C143-T160 CarbonylContact O-C 3.46Å; C143-T160 WeakPolarHBondContact O-CA 3.22Å; C143-G161 PolarHBondContact N-O 3.13Å; C143-G161 PolarHBondContact O-N 3.2Å
144W95.4Very high91.8Very high36 Ų3658.8 Ų58.814%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-148.1145.8172.95693000112.8V101 E102 R155 R159 T160V101-W144 WeakPolarHBondContact CA-O 3.37Å; E102-W144 HydrophobicContact CB-CD2 4.15Å; E102-W144 HydrophobicContact CB-CG 4.4Å; E102-W144 HydrophobicContact CB-CZ2 3.79Å; E102-W144 HydrophobicContact CG-CH2 4.15Å; E102-W144 HydrophobicContact CG-CZ2 3.42Å; E102-W144 VanDerWaalsContact CG-CZ2 3.42Å; E102-W144 PolarHBondContact N-O 3.17Å; E102-W144 PolarHBondContact O-N 2.85Å; W144-R155 HydrophobicContact CB-CG 3.98Å; W144-R155 HydrophobicContact CD2-CG 4.34Å; W144-R155 VanDerWaalsContact CD2-NE 3.3Å; W144-R155 VanDerWaalsContact CE3-NH2 3.32Å; W144-R155 HydrophobicContact CG-CB 4.28Å; W144-R155 HydrophobicContact CG-CG 3.7Å; W144-R155 VanDerWaalsContact CZ2-NH2 3.32Å; W144-R159 CarbonylContact C-O 3.58Å; W144-R159 WeakPolarHBondContact CA-O 3.16Å; W144-T160 HydrophobicContact CB-CG2 4.08Å
145G93.1Very high91.6Very high0 Ų063.5 Ų63.50%032%0.318CS..EExtended strand (participates in β ladder)trans-62.3151.1163.600000110.9D156 R159G145-D156 WeakPolarHBondContact O-CB 3.37Å; G145-D156 PolarHBondContact O-N 2.89Å; G145-R159 PolarHBondContact N-O 2.84Å
146Q89.3Confident91.3Very high60 Ų6063.7 Ų63.728%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-105.3133.2177.1-158.8174.616.800109.9K100 C153 R159K100-Q146 HydrophobicContact CB-CB 4.47Å; Q146-C153 HydrophobicContact CG-CB 3.83Å; Q146-R159 PolarHBondContact O-NH2 2.98Å
147L86.9Confident91.1Very high98 Ų9870 Ų7051%0.51335%0.345SS..EExtended strand (participates in β ladder)trans-106.5109170.8-80.6164.9000108.3C153 R154 D156L147-C153 CarbonylContact O-C 3.59Å; L147-C153 WeakPolarHBondContact O-CA 3.35Å; L147-R154 PolarHBondContact N-O 3.17Å; L147-R154 PolarHBondContact O-N 2.9Å; L147-D156 HydrophobicContact CD1-CB 3.83Å; L147-D156 HydrophobicContact CG-CB 3.85Å
148C87Confident90.7Very high57 Ų5773.9 Ų73.939%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-108.1130.1178.4-61.20000111.1I152 C153C148-I152 WeakPolarHBondContact CA-O 3.41Å; C148-C153 HydrophobicContact CB-CB 4.13Å; C148-C153 WeakPolarHBondContact CB-SG 3.41Å; C148-C153 WeakPolarHBondContact SG-CB 3.46Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.96Å
149N86.3Confident90.4Very high144 Ų14477.4 Ų77.477%0.7739%0.385SS*.EExtended strand (participates in β ladder)trans-115.4102.9167-173.511.6000107.9Y151 I152N149-Y151 PolarHBondContact O-N 3.04Å; N149-I152 PolarHBondContact N-O 2.83Å; N149-I152 PolarHBondContact O-N 2.92Å; N149-I152 VanDerWaalsContact O-N 3.15Å
150G85.8Confident90.3Very high65 Ų6579.5 Ų79.567%0.6740%0.397SS*.THydrogen-bonded Turntrans57.5-128.4-163.800000111
151Y84.3Confident90.3Very high238 Ų23875.3 Ų75.393%0.93338%0.379SS*.THydrogen-bonded Turntrans-79.2-15.9177.3-57-79.6000114.1N149 C153N149-Y151 PolarHBondContact O-N 3.04Å; Y151-C153 PolarHBondContact O-N 2.7Å
152I84.8Confident90.2Very high117 Ų11777.8 Ų77.860%0.640%0.396SS*.EExtended strand (participates in β ladder)trans-86.5111.9-177.2-59.4176.1000108.9C148 N149C148-I152 WeakPolarHBondContact CA-O 3.41Å; N149-I152 PolarHBondContact N-O 2.83Å; N149-I152 PolarHBondContact O-N 2.92Å; N149-I152 VanDerWaalsContact O-N 3.15Å
153C87.4Confident90.3Very high53 Ų5377.1 Ų77.136%0.35839%0.391SS..EExtended strand (participates in β ladder)trans-111.7142.3179.1-61.20000111.9Q146 L147 C148 Y151Q146-C153 HydrophobicContact CG-CB 3.83Å; L147-C153 CarbonylContact O-C 3.59Å; L147-C153 WeakPolarHBondContact O-CA 3.35Å; C148-C153 HydrophobicContact CB-CB 4.13Å; C148-C153 WeakPolarHBondContact CB-SG 3.41Å; C148-C153 WeakPolarHBondContact SG-CB 3.46Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.96Å; Y151-C153 PolarHBondContact O-N 2.7Å
154R89Confident90.3Very high189 Ų18977.4 Ų77.471%0.71339%0.392SS*.EExtended strand (participates in β ladder)trans-133.7160.2179.6-64.5-175.6177.9-178.8-1.2111.5L147L147-R154 PolarHBondContact N-O 3.17Å; L147-R154 PolarHBondContact O-N 2.9Å
155R90.6Very high90.4Very high134 Ų13475.7 Ų75.751%0.50639%0.386SS..EExtended strand (participates in β ladder)trans-64.1130.3171.8170.8174.2-71.8170.8-2.5110.2W144 E157W144-R155 HydrophobicContact CB-CG 3.98Å; W144-R155 HydrophobicContact CD2-CG 4.34Å; W144-R155 VanDerWaalsContact CD2-NE 3.3Å; W144-R155 VanDerWaalsContact CE3-NH2 3.32Å; W144-R155 HydrophobicContact CG-CB 4.28Å; W144-R155 HydrophobicContact CG-CG 3.7Å; W144-R155 VanDerWaalsContact CZ2-NH2 3.32Å; R155-E157 HydrophobicContact CG-CG 4.49Å; R155-E157 PolarHBondContact O-N 3.37Å
156D89.3Confident90.6Very high11 Ų1175.7 Ų75.76%0.05939%0.386CS..EExtended strand (participates in β ladder)trans-89.794.7172.5-169.8-23.6000110G145 L147 S158 R159G145-D156 WeakPolarHBondContact O-CB 3.37Å; G145-D156 PolarHBondContact O-N 2.89Å; L147-D156 HydrophobicContact CD1-CB 3.83Å; L147-D156 HydrophobicContact CG-CB 3.85Å; D156-S158 PolarHBondContact O-N 2.05Å; D156-S158 WeakPolarHBondContact OD1-CB 3.44Å; D156-S158 PolarHBondContact OD1-N 3.42Å; D156-S158 PolarHBondContact OD1-OG 3.42Å; D156-R159 HydrophobicContact CB-CB 4.27Å; D156-R159 CarbonylContact O-C 3.53Å; D156-R159 VanDerWaalsContact O-C 3.29Å; D156-R159 PolarHBondContact O-N 3.39Å; D156-R159 PolarHBondContact OD1-N 3.21Å; D156-R159 IonicContact OD2-CZ 3.51Å; D156-R159 IonicContact OD2-NE 2.71Å; D156-R159 PolarHBondContact OD2-NE 2.78Å; D156-R159 IonicContact OD2-NH2 2.75Å; D156-R159 PolarHBondContact OD2-NH2 2.85Å
157E88.1Confident91Very high155 Ų15572.9 Ų72.972%0.72437%0.372SS*.EExtended strand (participates in β ladder)trans-60-29.8-178.2-61.1-172.115700112.7R155 R159 T160R155-E157 HydrophobicContact CG-CG 4.49Å; R155-E157 PolarHBondContact O-N 3.37Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.07Å; E157-T160 PolarHBondContact O-OG1 3.15Å
158S87.1Confident91.4Very high80 Ų8069.3 Ų69.356%0.55936%0.355SS*.EExtended strand (participates in β ladder)trans-69.9-23.2176.782.70000113.3D156D156-S158 PolarHBondContact O-N 2.05Å; D156-S158 WeakPolarHBondContact OD1-CB 3.44Å; D156-S158 PolarHBondContact OD1-N 3.42Å; D156-S158 PolarHBondContact OD1-OG 3.42Å
159R91.1Very high91.6Very high75 Ų7570.7 Ų70.728%0.28336%0.356SS..EExtended strand (participates in β ladder)trans-118.750.5178.5-67.8-170.3-63.5134.37.5111.3I67 W144 G145 Q146 D156 E157I67-R159 HydrophobicContact CD1-CB 4.44Å; I67-R159 WeakPolarHBondContact CD1-O 3.31Å; I67-R159 HydrophobicContact CG2-CB 3.88Å; I67-R159 HydrophobicContact CG2-CG 4.17Å; W144-R159 CarbonylContact C-O 3.58Å; W144-R159 WeakPolarHBondContact CA-O 3.16Å; G145-R159 PolarHBondContact N-O 2.84Å; Q146-R159 PolarHBondContact O-NH2 2.98Å; D156-R159 HydrophobicContact CB-CB 4.27Å; D156-R159 CarbonylContact O-C 3.53Å; D156-R159 VanDerWaalsContact O-C 3.29Å; D156-R159 PolarHBondContact O-N 3.39Å; D156-R159 PolarHBondContact OD1-N 3.21Å; D156-R159 IonicContact OD2-CZ 3.51Å; D156-R159 IonicContact OD2-NE 2.71Å; D156-R159 PolarHBondContact OD2-NE 2.78Å; D156-R159 IonicContact OD2-NH2 2.75Å; D156-R159 PolarHBondContact OD2-NH2 2.85Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.07Å
160T94.3Very high91.7Very high47 Ų4773.1 Ų73.129%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-92.2164.1171.244.80000111.6S66 I67 C143 W144 E157S66-T160 VanDerWaalsContact CA-O 3.28Å; S66-T160 WeakPolarHBondContact CA-O 3.4Å; I67-T160 PolarHBondContact N-O 3.03Å; C143-T160 CarbonylContact O-C 3.46Å; C143-T160 WeakPolarHBondContact O-CA 3.22Å; W144-T160 HydrophobicContact CB-CG2 4.08Å; E157-T160 PolarHBondContact O-OG1 3.15Å
161G95.6Very high91.7Very high5 Ų571.1 Ų71.15%0.05234%0.339CS..EExtended strand (participates in β ladder)trans-161.2137.3161.900000110.3S66 M68 S142 C143S66-G161 VanDerWaalsContact OG-CA 3.28Å; S66-G161 WeakPolarHBondContact OG-CA 3.26Å; M68-G161 WeakPolarHBondContact CE-O 3.2Å; S142-G161 CarbonylContact C-O 3.29Å; S142-G161 WeakPolarHBondContact CA-O 3.22Å; C143-G161 PolarHBondContact N-O 3.13Å; C143-G161 PolarHBondContact O-N 3.2Å
162S96.7Very high92.2Very high53 Ų5363.1 Ų63.137%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-142.8156.317670.40000112.5E140 F141 S142E140-S162 PolarHBondContact OE1-OG 2.85Å; F141-S162 CarbonylContact O-C 3.56Å; F141-S162 VanDerWaalsContact O-CA 3.31Å; F141-S162 WeakPolarHBondContact O-CA 3.28Å; S142-S162 WeakPolarHBondContact OG-CB 3.48Å
163T97.1Very high92.7Very high0 Ų058 Ų580%028%0.283CS..EExtended strand (participates in β ladder)trans-149.2136.9170.6-1760000108.9M68 P80 A81 M84 L94 F141 I165M68-T163 HydrophobicContact SD-CG2 3.8Å; P80-T163 HydrophobicContact CB-CG2 4.31Å; P80-T163 HydrophobicContact CG-CG2 4.36Å; A81-T163 WeakPolarHBondContact O-CB 3.4Å; A81-T163 PolarHBondContact O-OG1 3.03Å; M84-T163 HydrophobicContact CE-CG2 4.18Å; L94-T163 HydrophobicContact CD1-CG2 4.16Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; F141-T163 HydrophobicContact CB-CG2 4.34Å; F141-T163 PolarHBondContact N-O 3.31Å; F141-T163 PolarHBondContact O-N 2.85Å; T163-I165 HydrophobicContact CG2-CD1 4.19Å; T163-I165 HydrophobicContact CG2-CG1 4Å
164Y97.4Very high93.1Very high9 Ų955.9 Ų55.94%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-94.9122.2169.8-166.2-72.6000109.5A82 T83 M84 T138 G139 E140 F166 R197 K228A82-Y164 PolarHBondContact O-N 2.61Å; T83-Y164 CarbonylContact C-O 3.58Å; T83-Y164 WeakPolarHBondContact CA-O 3.38Å; M84-Y164 PolarHBondContact N-O 3.33Å; T138-Y164 HydrophobicContact CG2-CE1 3.87Å; G139-Y164 VanDerWaalsContact C-CD2 3.46Å; G139-Y164 CarbonylContact O-C 3.44Å; G139-Y164 WeakPolarHBondContact O-CA 3.28Å; E140-Y164 HydrophobicContact CB-CD2 3.97Å; Y164-F166 AromaticContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CE1 4.36Å; Y164-F166 AromaticContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CG 4.31Å; Y164-F166 AromaticContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CE1-CD1 4.13Å; Y164-F166 AromaticContact CE1-CD2 3.88Å; Y164-F166 HydrophobicContact CE1-CD2 3.88Å; Y164-F166 AromaticContact CE1-CE1 3.74Å; Y164-F166 HydrophobicContact CE1-CE1 3.74Å; Y164-F166 AromaticContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CE2 3.46Å; Y164-F166 VanDerWaalsContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CG 4.2Å; Y164-F166 AromaticContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CG-CE2 4.26Å; Y164-R197 PolarHBondContact OH-NH1 3.26Å; Y164-K228 VanDerWaalsContact CB-CE 3.42Å; Y164-K228 VanDerWaalsContact CB-NZ 3.27Å; Y164-K228 HydrophobicContact CD1-CD 4.5Å; Y164-K228 HydrophobicContact CD1-CG 4.25Å; Y164-K228 HydrophobicContact CD2-CB 4.05Å; Y164-K228 HydrophobicContact CD2-CD 3.5Å; Y164-K228 VanDerWaalsContact CD2-CD 3.5Å; Y164-K228 HydrophobicContact CD2-CG 3.66Å; Y164-K228 HydrophobicContact CE1-CG 4.24Å; Y164-K228 HydrophobicContact CE2-CB 3.61Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.64Å; Y164-K228 HydrophobicContact CG-CD 3.78Å; Y164-K228 HydrophobicContact CG-CG 3.97Å
165I97.5Very high93.5Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-105.6124-175.5-48.2-177.2000108.9M84 L86 V92 L94 T138 G139 F141 T163 F167M84-I165 HydrophobicContact CE-CD1 3.51Å; M84-I165 HydrophobicContact CE-CG1 3.64Å; M84-I165 HydrophobicContact CE-CG2 4.44Å; M84-I165 HydrophobicContact CG-CG1 4.32Å; L86-I165 HydrophobicContact CB-CG2 4.4Å; L86-I165 HydrophobicContact CD1-CG2 3.84Å; L86-I165 HydrophobicContact CG-CG2 4.14Å; V92-I165 HydrophobicContact CG1-CD1 3.96Å; L94-I165 HydrophobicContact CD1-CD1 4.49Å; T138-I165 WeakPolarHBondContact CA-O 3.29Å; G139-I165 PolarHBondContact N-O 3.16Å; G139-I165 VanDerWaalsContact N-O 3.09Å; G139-I165 PolarHBondContact O-N 2.95Å; F141-I165 HydrophobicContact CB-CD1 4.41Å; F141-I165 HydrophobicContact CD2-CB 4.14Å; F141-I165 HydrophobicContact CD2-CD1 3.56Å; F141-I165 HydrophobicContact CD2-CG1 3.72Å; F141-I165 HydrophobicContact CE2-CB 4.18Å; F141-I165 HydrophobicContact CE2-CD1 3.97Å; F141-I165 HydrophobicContact CE2-CG1 4.21Å; F141-I165 HydrophobicContact CG-CD1 3.98Å; F141-I165 HydrophobicContact CG-CG1 4.48Å; T163-I165 HydrophobicContact CG2-CD1 4.19Å; T163-I165 HydrophobicContact CG2-CG1 4Å; I165-F167 HydrophobicContact CB-CE2 4.01Å; I165-F167 HydrophobicContact CB-CZ 4.27Å; I165-F167 HydrophobicContact CD1-CZ 4.49Å; I165-F167 HydrophobicContact CG2-CD1 4.26Å; I165-F167 HydrophobicContact CG2-CD2 4.05Å; I165-F167 HydrophobicContact CG2-CE1 3.84Å; I165-F167 HydrophobicContact CG2-CE2 3.62Å; I165-F167 HydrophobicContact CG2-CG 4.38Å; I165-F167 HydrophobicContact CG2-CZ 3.53Å
166F97.3Very high93.5Very high0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-97.4114.2171.6-74.9-90.2000108.9T83 M84 S85 L86 T138 Y164 V198 T199 L201 M227 K228T83-F166 HydrophobicContact CG2-CD2 3.75Å; T83-F166 HydrophobicContact CG2-CE2 3.52Å; M84-F166 PolarHBondContact O-N 3Å; S85-F166 CarbonylContact C-O 3.55Å; S85-F166 WeakPolarHBondContact CA-O 3.43Å; L86-F166 PolarHBondContact N-O 3.33Å; T138-F166 HydrophobicContact CG2-CD1 4.09Å; Y164-F166 AromaticContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CE1 4.36Å; Y164-F166 AromaticContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CG 4.31Å; Y164-F166 AromaticContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CE1-CD1 4.13Å; Y164-F166 AromaticContact CE1-CD2 3.88Å; Y164-F166 HydrophobicContact CE1-CD2 3.88Å; Y164-F166 AromaticContact CE1-CE1 3.74Å; Y164-F166 HydrophobicContact CE1-CE1 3.74Å; Y164-F166 AromaticContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CE2 3.46Å; Y164-F166 VanDerWaalsContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CG 4.2Å; Y164-F166 AromaticContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CG-CE2 4.26Å; F166-V198 WeakPolarHBondContact CD1-O 3.5Å; F166-V198 HydrophobicContact CE1-CG2 4.2Å; F166-V198 WeakPolarHBondContact CE1-O 3.21Å; F166-T199 WeakPolarHBondContact CB-O 3.41Å; F166-L201 HydrophobicContact CD1-CD2 4.31Å; F166-L201 HydrophobicContact CD2-CD2 3.58Å; F166-L201 HydrophobicContact CD2-CG 4.03Å; F166-L201 HydrophobicContact CE1-CD2 4.17Å; F166-L201 HydrophobicContact CE2-CD2 3.42Å; F166-L201 VanDerWaalsContact CE2-CD2 3.42Å; F166-L201 HydrophobicContact CE2-CG 4.35Å; F166-L201 HydrophobicContact CG-CD2 4.03Å; F166-L201 HydrophobicContact CG-CG 4.13Å; F166-L201 HydrophobicContact CZ-CD2 3.74Å; F166-M227 HydrophobicContact CE1-CB 4.49Å; F166-M227 HydrophobicContact CE2-SD 4.2Å; F166-M227 HydrophobicContact CZ-CB 4.22Å; F166-M227 HydrophobicContact CZ-CG 3.93Å; F166-M227 HydrophobicContact CZ-SD 3.72Å; F166-K228 HydrophobicContact CZ-CG 4.46Å
167F97.1Very high93.5Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-96.5103.4176-68-75.6000110L86 V92 L130 S133 S134 D137 T138 F141 I165 T199L86-F167 HydrophobicContact CB-CD1 3.94Å; L86-F167 HydrophobicContact CB-CE1 4.01Å; L86-F167 HydrophobicContact CD1-CE1 4.04Å; L86-F167 CarbonylContact O-C 3.57Å; L86-F167 WeakPolarHBondContact O-CA 3.41Å; V92-F167 HydrophobicContact CG2-CE1 3.61Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å; L130-F167 HydrophobicContact CD2-CE2 4.45Å; L130-F167 HydrophobicContact CD2-CZ 4.22Å; S133-F167 WeakPolarHBondContact OG-CD1 3.39Å; S133-F167 WeakPolarHBondContact OG-CE1 3.36Å; S134-F167 WeakPolarHBondContact O-CB 3.44Å; D137-F167 VanDerWaalsContact C-CD2 3.48Å; D137-F167 HydrophobicContact CB-CD2 3.65Å; D137-F167 HydrophobicContact CB-CE2 3.61Å; D137-F167 HydrophobicContact CB-CZ 4.46Å; D137-F167 WeakPolarHBondContact O-CE2 3.43Å; T138-F167 PolarHBondContact OG1-N 2.74Å; F141-F167 HydrophobicContact CE2-CE2 4.12Å; F141-F167 HydrophobicContact CZ-CE2 4.28Å; I165-F167 HydrophobicContact CB-CE2 4.01Å; I165-F167 HydrophobicContact CB-CZ 4.27Å; I165-F167 HydrophobicContact CD1-CZ 4.49Å; I165-F167 HydrophobicContact CG2-CD1 4.26Å; I165-F167 HydrophobicContact CG2-CD2 4.05Å; I165-F167 HydrophobicContact CG2-CE1 3.84Å; I165-F167 HydrophobicContact CG2-CE2 3.62Å; I165-F167 HydrophobicContact CG2-CG 4.38Å; I165-F167 HydrophobicContact CG2-CZ 3.53Å; F167-T199 WeakPolarHBondContact O-CB 3.4Å
168T95.1Very high93.3Very high23 Ų2344.9 Ų44.914%0.14125%0.253CS..EExtended strand (participates in β ladder)trans-84.6129.9-176.153.90000111.7S85 L86 M87 A88 T199 V200S85-T168 WeakPolarHBondContact OG-CG2 3.39Å; L86-T168 PolarHBondContact O-N 3.22Å; L86-T168 PolarHBondContact O-OG1 2.86Å; L86-T168 VanDerWaalsContact O-OG1 3.1Å; M87-T168 PolarHBondContact SD-OG1 3.06Å; A88-T168 PolarHBondContact N-O 2.95Å; T168-T199 WeakPolarHBondContact CG2-O 3.28Å; T168-V200 HydrophobicContact CG2-CG2 4Å
169E92.8Very high93.3Very high87 Ų8743 Ų4341%0.40724%0.24SC..  trans-128.1156.2-179.4-172.6162.2-167.400110.7A88 S135 G171 E172A88-E169 HydrophobicContact CB-CB 4Å; A88-E169 HydrophobicContact CB-CG 4.19Å; S135-E169 VanDerWaalsContact CB-OE2 3.23Å; S135-E169 WeakPolarHBondContact CB-OE2 3Å; S135-E169 PolarHBondContact N-OE2 3.01Å; S135-E169 PolarHBondContact OG-OE2 3.1Å; E169-G171 PolarHBondContact O-N 3.33Å; E169-E172 HydrophobicContact CB-CB 4.35Å
170K87.8Confident93.1Very high195 Ų19549.7 Ų49.785%0.84827%0.267SS*.SBendtrans-79.947.3-164.6-161.7-161.9166.6179.50114.6K253K170-K253 PolarHBondContact O-NZ 3.13Å
171G85.8Confident92.9Very high23 Ų2354 Ų5424%0.23728%0.281CS..SBendtrans170.9-36.8179.400000111.8E169 L173E169-G171 PolarHBondContact O-N 3.33Å; G171-L173 PolarHBondContact O-N 2.85Å
172E93.4Very high92.7Very high69 Ų6955.7 Ų55.732%0.32229%0.289SS..  trans-76.8110.1178-51-44.5122.100110.8E169 T199 Q255E169-E172 HydrophobicContact CB-CB 4.35Å; E172-T199 PolarHBondContact O-OG1 2.85Å; E172-Q255 PolarHBondContact OE2-NE2 3.13Å
173L96.2Very high92.5Very high9 Ų956.1 Ų56.15%0.04729%0.29CS..  trans-95-25.3171-56-174000111.7G171 V198 T199 V200 A248 A250 Q255G171-L173 PolarHBondContact O-N 2.85Å; L173-V198 CarbonylContact O-C 3.6Å; L173-V198 WeakPolarHBondContact O-CA 3.4Å; L173-V198 VanDerWaalsContact O-CB 3.26Å; L173-V198 WeakPolarHBondContact O-CB 3.42Å; L173-V198 WeakPolarHBondContact O-CG1 3.42Å; L173-T199 VanDerWaalsContact CA-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.2Å; L173-T199 PolarHBondContact O-N 3.09Å; L173-T199 PolarHBondContact O-OG1 2.86Å; L173-T199 VanDerWaalsContact O-OG1 3.07Å; L173-V200 HydrophobicContact CD2-CG2 3.98Å; L173-A248 HydrophobicContact CB-CB 3.84Å; L173-A248 HydrophobicContact CD1-CB 3.97Å; L173-A250 HydrophobicContact CD1-CB 4.29Å; L173-A250 HydrophobicContact CD2-CB 3.83Å; L173-Q255 HydrophobicContact CB-CB 4.24Å; L173-Q255 HydrophobicContact CD1-CB 4.13Å; L173-Q255 HydrophobicContact CG-CB 4.21Å
174F96.6Very high92.4Very high10 Ų1056.7 Ų56.74%0.04429%0.293CS..BIsolated β-bridgetrans-101.1155.9172.9-68.6-68.3000111.7C196 R197 V198 T199 V205 C246 A248 Q255F174-C196 HydrophobicContact CD1-CB 4.07Å; F174-C196 HydrophobicContact CE1-CB 3.83Å; F174-R197 WeakPolarHBondContact CA-O 3.15Å; F174-V198 HydrophobicContact CD1-CG1 4.04Å; F174-V198 HydrophobicContact CE1-CG1 4.1Å; F174-T199 WeakPolarHBondContact O-CG2 3.31Å; F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.19Å; F174-C246 HydrophobicContact CE1-CB 3.82Å; F174-C246 HydrophobicContact CZ-CB 3.57Å; F174-C246 WeakPolarHBondContact CZ-O 3.36Å; F174-A248 HydrophobicContact CD2-CB 4.33Å; F174-A248 HydrophobicContact CE1-CB 4.09Å; F174-A248 HydrophobicContact CE2-CB 3.64Å; F174-A248 HydrophobicContact CZ-CB 3.5Å; F174-Q255 HydrophobicContact CD2-CB 4.38Å; F174-Q255 HydrophobicContact CD2-CG 4.3Å; F174-Q255 VanDerWaalsContact N-OE1 3.11Å
175V95.8Very high92.2Very high18 Ų1858.2 Ų58.211%0.10930%0.299CS..PPolyproline II helixtrans-74125.8166-169.60000108T138 S177 R197 T199T138-V175 HydrophobicContact CG2-CG2 3.54Å; V175-S177 PolarHBondContact O-N 3.42Å; V175-R197 HydrophobicContact CB-CB 4.44Å; V175-R197 HydrophobicContact CG2-CB 3.89Å; V175-R197 PolarHBondContact N-O 3.44Å; V175-T199 HydrophobicContact CG2-CG2 4.19Å
176P92.5Very high92Very high63 Ų6358.2 Ų58.241%0.40930%0.299SS..PPolyproline II helixtrans-55.9135.7-178.7-28.935.8000113.7A136A136-P176 HydrophobicContact CB-CG 4.44Å
177S88.3Confident91.7Very high38 Ų3858.4 Ų58.427%0.26630%0.3SS..PPolyproline II helixtrans-91.3141.5165.4-1760000109.3V175 S179 D182V175-S177 PolarHBondContact O-N 3.42Å; S177-S179 PolarHBondContact O-N 3.1Å; S177-S179 PolarHBondContact OG-N 3.2Å; S177-D182 PolarHBondContact OG-OD2 2.74Å
178P84.5Confident91.2Very high139 Ų13961.4 Ų61.490%0.90332%0.32SS*.SBendtrans-72.8-11.2171.631.6-36.3000113.2
179S85.9Confident90.8Very high39 Ų3964.2 Ų64.227%0.27333%0.334SS..SBendtrans-105152.2178.1-167.70000112.2S177 F181 D182 V258S177-S179 PolarHBondContact O-N 3.1Å; S177-S179 PolarHBondContact OG-N 3.2Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 WeakPolarHBondContact CB-O 3.16Å; S179-F181 PolarHBondContact OG-N 3.49Å; S179-F181 PolarHBondContact OG-O 3.5Å; S179-D182 VanDerWaalsContact CB-OD1 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.45Å; S179-V258 WeakPolarHBondContact O-CG1 3.32Å
180Y86.9Confident90.6Very high217 Ų21764.3 Ų64.385%0.85133%0.331SS*.SBendtrans-76.8-22.8170.7-65.6-78.8000112.9
181F90.2Very high90.9Very high136 Ų13659.7 Ų59.760%0.59631%0.312SS*.EExtended strand (participates in β ladder)trans-151144.1173.968.1-85.7000110.2S179 K259S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 WeakPolarHBondContact CB-O 3.16Å; S179-F181 PolarHBondContact OG-N 3.49Å; S179-F181 PolarHBondContact OG-O 3.5Å; F181-K259 VanDerWaalsContact CA-O 3.22Å; F181-K259 WeakPolarHBondContact CA-O 3.48Å
182D92.3Very high91.4Very high41 Ų4158.9 Ų58.922%0.21930%0.303CS..EExtended strand (participates in β ladder)trans-122.7145.8-179.5-69.1-51.1000110.1S177 S179 K259 Y260 Q261S177-D182 PolarHBondContact OG-OD2 2.74Å; S179-D182 VanDerWaalsContact CB-OD1 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.45Å; D182-K259 PolarHBondContact N-O 3.3Å; D182-K259 VanDerWaalsContact N-O 3.1Å; D182-Y260 HydrophobicContact CB-CD1 3.71Å; D182-Y260 HydrophobicContact CB-CE1 3.85Å; D182-Y260 CarbonylContact O-C 3.6Å; D182-Y260 VanDerWaalsContact O-CA 3.27Å; D182-Y260 WeakPolarHBondContact O-CA 3.32Å; D182-Q261 PolarHBondContact O-N 3.05Å
183V92.9Very high91.6Very high63 Ų6357.6 Ų57.638%0.38230%0.3SS..EExtended strand (participates in β ladder)trans-96.4136178.3179.70000109.8Y185 L263V183-Y185 HydrophobicContact CG1-CD1 4.31Å; V183-Y185 HydrophobicContact CG1-CD2 4.4Å; V183-Y185 HydrophobicContact CG1-CE1 3.8Å; V183-Y185 HydrophobicContact CG1-CE2 3.88Å; V183-L263 HydrophobicContact CG1-CD1 3.78Å; V183-L263 HydrophobicContact CG1-CG 4.27Å
184V94.8Very high91.6Very high12 Ų1257.1 Ų57.17%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-124.4112.1178-179.70000109.2L186 A192 V193 Y260 Q261 L262 L263V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 2.84Å; V184-A192 HydrophobicContact CG1-CB 4.24Å; V184-V193 WeakPolarHBondContact CG1-O 3.4Å; V184-Y260 HydrophobicContact CG2-CD1 4.32Å; V184-Q261 PolarHBondContact N-O 3.01Å; V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.24Å; V184-L262 HydrophobicContact CG2-CD1 4.37Å; V184-L262 WeakPolarHBondContact O-CA 3.07Å; V184-L263 PolarHBondContact O-N 3.39Å
185Y93.3Very high91.6Very high41 Ų4159.4 Ų59.416%0.16131%0.313CS..EExtended strand (participates in β ladder)trans-82.1113.9177.9-61.6-71.5000111.4V183 N187 L263 V265 P299 D300V183-Y185 HydrophobicContact CG1-CD1 4.31Å; V183-Y185 HydrophobicContact CG1-CD2 4.4Å; V183-Y185 HydrophobicContact CG1-CE1 3.8Å; V183-Y185 HydrophobicContact CG1-CE2 3.88Å; Y185-N187 PolarHBondContact O-ND2 2.9Å; Y185-L263 CarbonylContact C-O 3.6Å; Y185-L263 WeakPolarHBondContact CA-O 3.48Å; Y185-L263 HydrophobicContact CD1-CB 4.01Å; Y185-L263 HydrophobicContact CE1-CB 4.23Å; Y185-L263 HydrophobicContact CE1-CD1 3.94Å; Y185-V265 HydrophobicContact CD1-CG2 3.78Å; Y185-V265 HydrophobicContact CG-CG2 4.24Å; Y185-P299 HydrophobicContact CD1-CB 4.12Å; Y185-P299 HydrophobicContact CD1-CG 3.79Å; Y185-P299 HydrophobicContact CE1-CB 3.47Å; Y185-P299 VanDerWaalsContact CE1-CB 3.47Å; Y185-P299 HydrophobicContact CE1-CG 3.48Å; Y185-P299 VanDerWaalsContact CE1-CG 3.48Å; Y185-P299 HydrophobicContact CE2-CB 4.06Å; Y185-P299 WeakPolarHBondContact OH-CB 3.4Å; Y185-D300 VanDerWaalsContact CD2-OD2 3.3Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.36Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.38Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.26Å; Y185-D300 PolarHBondContact OH-OD1 2.92Å
186L93.1Very high91.7Very high0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-80126170.4-53.9-173.3000108.5V184 A192 P236 H240 L262 L263 Y264 V265V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 2.84Å; L186-A192 HydrophobicContact CD2-CB 3.56Å; L186-P236 HydrophobicContact CB-CB 3.76Å; L186-P236 HydrophobicContact CD2-CB 4.21Å; L186-P236 HydrophobicContact CG-CB 4.44Å; L186-H240 HydrophobicContact CD1-CB 3.61Å; L186-L262 HydrophobicContact CD1-CB 4.03Å; L186-L262 HydrophobicContact CD1-CD2 4.3Å; L186-L262 HydrophobicContact CD1-CG 4.41Å; L186-L262 HydrophobicContact CD2-CB 4.42Å; L186-L262 HydrophobicContact CD2-CD2 4.13Å; L186-L262 HydrophobicContact CD2-CG 4.05Å; L186-L262 HydrophobicContact CG-CB 4.15Å; L186-L262 HydrophobicContact CG-CG 4.34Å; L186-L263 PolarHBondContact N-O 3.45Å; L186-Y264 HydrophobicContact CB-CD2 3.92Å; L186-Y264 CarbonylContact O-C 3.58Å; L186-Y264 WeakPolarHBondContact O-CA 3.5Å; L186-V265 PolarHBondContact O-N 3.33Å
187N90Very high91.9Very high3 Ų358.8 Ų58.82%0.01630%0.301CS..BIsolated β-bridgetrans-131.8139.6-177.1-66.4-99.4000108.1Y185 D189 R190 P236 V265Y185-N187 PolarHBondContact O-ND2 2.9Å; N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 2.85Å; N187-R190 HydrophobicContact CB-CG 3.76Å; N187-R190 PolarHBondContact ND2-NH2 3.5Å; N187-R190 VanDerWaalsContact O-O 3.07Å; N187-R190 PolarHBondContact OD1-NH2 2.02Å; N187-P236 WeakPolarHBondContact O-CD 3.39Å; N187-P236 WeakPolarHBondContact O-CG 3.43Å; N187-V265 WeakPolarHBondContact OD1-CB 3.11Å
188P86.9Confident92.3Very high64 Ų6457.1 Ų57.142%0.41629%0.289SS..THydrogen-bonded Turntrans-70.8-18.9-176.326.2-34000114.3V265P188-V265 VanDerWaalsContact CD-O 3.27Å; P188-V265 WeakPolarHBondContact CD-O 3.32Å
189D86.5Confident92.8Very high81 Ų8150.5 Ų50.543%0.43325%0.246SC..THydrogen-bonded Turntrans-99.6-4.8-172.361.2-1.2000114.2N187 S269N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 2.85Å; D189-S269 VanDerWaalsContact CG-OG 3.27Å; D189-S269 PolarHBondContact OD1-OG 3.13Å; D189-S269 WeakPolarHBondContact OD2-CB 3.25Å; D189-S269 PolarHBondContact OD2-N 2.66Å; D189-S269 PolarHBondContact OD2-OG 3.07Å
190R89.4Confident93.3Very high90 Ų9049.7 Ų49.734%0.3424%0.239SC..BIsolated β-bridgetrans-154.8153.8-175.664.9-167.1-170.9-147.57.8113.3N187 P236 S269 E298N187-R190 HydrophobicContact CB-CG 3.76Å; N187-R190 PolarHBondContact ND2-NH2 3.5Å; N187-R190 VanDerWaalsContact O-O 3.07Å; N187-R190 PolarHBondContact OD1-NH2 2.02Å; R190-P236 WeakPolarHBondContact O-CD 3.4Å; R190-P236 WeakPolarHBondContact O-CG 3.37Å; R190-S269 PolarHBondContact NH1-OG 3.11Å; R190-E298 IonicContact CZ-OE2 3.23Å; R190-E298 VanDerWaalsContact NH1-CD 3.28Å; R190-E298 IonicContact NH1-OE1 2.83Å; R190-E298 PolarHBondContact NH1-OE1 2.81Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 2.88Å; R190-E298 IonicContact NH2-OE2 2.88Å; R190-E298 PolarHBondContact NH2-OE2 2.85Å
191Q94.6Very high93.6Very high97 Ų9742.9 Ų42.945%0.45322%0.218SC..  trans-59.8141175.6-61.1-178.6-5.300111.8R229 V232 Y233Q191-R229 VanDerWaalsContact OE1-NH2 3.16Å; Q191-V232 HydrophobicContact CB-CG1 3.99Å; Q191-V232 HydrophobicContact CG-CG1 4.32Å; Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.32Å
192A95.5Very high93.7Very high6 Ų641.1 Ų41.15%0.0522%0.222CC..EExtended strand (participates in β ladder)trans-108.9149.616900000110.5V184 L186 V232 Y233 P236V184-A192 HydrophobicContact CG1-CB 4.24Å; L186-A192 HydrophobicContact CD2-CB 3.56Å; A192-V232 CarbonylContact O-C 3.55Å; A192-V232 WeakPolarHBondContact O-CA 3.1Å; A192-Y233 PolarHBondContact N-O 3.34Å; A192-Y233 VanDerWaalsContact N-O 3.15Å; A192-Y233 PolarHBondContact O-N 2.71Å; A192-P236 HydrophobicContact CB-CG 3.81Å
193V97.2Very high93.8Very high42 Ų4239.9 Ų39.926%0.25522%0.218SC..EExtended strand (participates in β ladder)trans-128129-176.4-172.80000110.3V184 P195 R229 F231 V232V184-V193 WeakPolarHBondContact CG1-O 3.4Å; V193-P195 WeakPolarHBondContact O-CD 3.45Å; V193-R229 HydrophobicContact CG1-CB 4.19Å; V193-R229 VanDerWaalsContact CG1-O 3.27Å; V193-R229 WeakPolarHBondContact CG1-O 3.33Å; V193-F231 CarbonylContact C-O 3.53Å; V193-F231 WeakPolarHBondContact CA-O 3.47Å; V193-V232 HydrophobicContact CG1-CG2 4.38Å; V193-V232 HydrophobicContact CG2-CG1 4.31Å; V193-V232 HydrophobicContact CG2-CG2 4.21Å
194V97.6Very high94Very high0 Ų043.8 Ų43.80%023%0.23CC..EExtended strand (participates in β ladder)trans-93.3103.4167.9177.90000107.2C196 L207 G230 F231 Y233 V244 Y260 L262V194-C196 PolarHBondContact O-N 3.32Å; V194-L207 HydrophobicContact CG1-CD1 4.43Å; V194-G230 VanDerWaalsContact O-CA 3.31Å; V194-G230 WeakPolarHBondContact O-CA 3.34Å; V194-F231 HydrophobicContact CB-CB 4.34Å; V194-F231 PolarHBondContact N-O 3.29Å; V194-F231 PolarHBondContact O-N 3.34Å; V194-F231 VanDerWaalsContact O-N 3.13Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.84Å; V194-V244 HydrophobicContact CG1-CG2 4.15Å; V194-V244 HydrophobicContact CG2-CG2 4.17Å; V194-Y260 HydrophobicContact CG1-CD1 4.33Å; V194-Y260 HydrophobicContact CG1-CD2 3.29Å; V194-Y260 HydrophobicContact CG1-CE2 3.7Å; V194-Y260 HydrophobicContact CG1-CG 3.65Å; V194-L262 HydrophobicContact CG2-CD1 4.19Å; V194-L262 HydrophobicContact CG2-CD2 4.45Å
195P96.4Very high94.1Very high57 Ų5744.2 Ų44.237%0.3723%0.232SC..  trans-79.634.5-155.832.7-38.8000116V193 R197 R229 Y260V193-P195 WeakPolarHBondContact O-CD 3.45Å; P195-R197 PolarHBondContact O-N 2.84Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.65Å
196C96.5Very high94.3Very high2 Ų243.1 Ų43.11%0.01423%0.23CC..  trans-77.463.6-178.762.70000113.1F174 V194 C246 Y260F174-C196 HydrophobicContact CD1-CB 4.07Å; F174-C196 HydrophobicContact CE1-CB 3.83Å; V194-C196 PolarHBondContact O-N 3.32Å; C196-C246 HydrophobicContact CB-CB 3.48Å; C196-C246 VanDerWaalsContact CB-CB 3.48Å; C196-C246 WeakPolarHBondContact CB-SG 3.37Å; C196-C246 WeakPolarHBondContact SG-CB 3.42Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 3.48Å; C196-Y260 HydrophobicContact CB-CE2 4.01Å
197R96.4Very high94.5Very high66 Ų6643.1 Ų43.125%0.24923%0.23CC..  trans-63.2143.8175.6-57.3-177.6-61.9125.5-1.1110.4T138 Y164 F174 V175 P195 K228T138-R197 PolarHBondContact O-NH1 3.25Å; Y164-R197 PolarHBondContact OH-NH1 3.26Å; F174-R197 WeakPolarHBondContact CA-O 3.15Å; V175-R197 HydrophobicContact CB-CB 4.44Å; V175-R197 HydrophobicContact CG2-CB 3.89Å; V175-R197 PolarHBondContact N-O 3.44Å; P195-R197 PolarHBondContact O-N 2.84Å; R197-K228 WeakPolarHBondContact CD-O 3.32Å
198V96.8Very high94.9Very high3 Ų344.1 Ų44.12%0.01823%0.234CC..BIsolated β-bridgetrans-98.3154.9179.3-72.10000113.1F166 L173 F174 A203 V205 Y225 M227F166-V198 WeakPolarHBondContact CD1-O 3.5Å; F166-V198 HydrophobicContact CE1-CG2 4.2Å; F166-V198 WeakPolarHBondContact CE1-O 3.21Å; L173-V198 CarbonylContact O-C 3.6Å; L173-V198 WeakPolarHBondContact O-CA 3.4Å; L173-V198 VanDerWaalsContact O-CB 3.26Å; L173-V198 WeakPolarHBondContact O-CB 3.42Å; L173-V198 WeakPolarHBondContact O-CG1 3.42Å; F174-V198 HydrophobicContact CD1-CG1 4.04Å; F174-V198 HydrophobicContact CE1-CG1 4.1Å; V198-A203 HydrophobicContact CG1-CB 4.19Å; V198-V205 HydrophobicContact CG1-CG2 3.58Å; V198-Y225 WeakPolarHBondContact CG1-OH 3.22Å; V198-M227 HydrophobicContact CG2-CB 3.91Å
199T96.6Very high95.4Very high0 Ų044.7 Ų44.70%023%0.228CC..SBendtrans-91.5-21.3169.751.10000112.4F166 F167 T168 E172 L173 F174 V175F166-T199 WeakPolarHBondContact CB-O 3.41Å; F167-T199 WeakPolarHBondContact O-CB 3.4Å; T168-T199 WeakPolarHBondContact CG2-O 3.28Å; E172-T199 PolarHBondContact O-OG1 2.85Å; L173-T199 VanDerWaalsContact CA-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.2Å; L173-T199 PolarHBondContact O-N 3.09Å; L173-T199 PolarHBondContact O-OG1 2.86Å; L173-T199 VanDerWaalsContact O-OG1 3.07Å; F174-T199 WeakPolarHBondContact O-CG2 3.31Å; V175-T199 HydrophobicContact CG2-CG2 4.19Å
200V95.1Very high95.8Very high22 Ų2243 Ų4313%0.13322%0.217CC..  trans-116.4118.2-172.5177.90000111.1T168 L173 S202 A203 A250T168-V200 HydrophobicContact CG2-CG2 4Å; L173-V200 HydrophobicContact CD2-CG2 3.98Å; V200-S202 WeakPolarHBondContact CG1-OG 3.21Å; V200-S202 PolarHBondContact O-N 2.92Å; V200-A203 HydrophobicContact CB-CB 4.31Å; V200-A203 VanDerWaalsContact O-CB 3.28Å; V200-A203 WeakPolarHBondContact O-CB 3.35Å; V200-A203 PolarHBondContact O-N 2.87Å; V200-A203 VanDerWaalsContact O-N 3.09Å; V200-A250 HydrophobicContact CG1-CB 4.04Å
201L93.1Very high95.9Very high75 Ų7545.9 Ų45.939%0.39323%0.233SC..THydrogen-bonded Turntrans-60.3-25.9-178.1-74.5174000115.2T83 F166 M227T83-L201 HydrophobicContact CG2-CD1 4.25Å; T83-L201 HydrophobicContact CG2-CD2 3.82Å; F166-L201 HydrophobicContact CD1-CD2 4.31Å; F166-L201 HydrophobicContact CD2-CD2 3.58Å; F166-L201 HydrophobicContact CD2-CG 4.03Å; F166-L201 HydrophobicContact CE1-CD2 4.17Å; F166-L201 HydrophobicContact CE2-CD2 3.42Å; F166-L201 VanDerWaalsContact CE2-CD2 3.42Å; F166-L201 HydrophobicContact CE2-CG 4.35Å; F166-L201 HydrophobicContact CG-CD2 4.03Å; F166-L201 HydrophobicContact CG-CG 4.13Å; F166-L201 HydrophobicContact CZ-CD2 3.74Å; L201-M227 HydrophobicContact CD2-CE 4.25Å; L201-M227 HydrophobicContact CD2-SD 3.6Å
202S93Very high95.8Very high98 Ų9845.9 Ų45.969%0.68524%0.241SC*.THydrogen-bonded Turntrans-94.27.217955.80000114V200 K204V200-S202 WeakPolarHBondContact CG1-OG 3.21Å; V200-S202 PolarHBondContact O-N 2.92Å; S202-K204 PolarHBondContact O-N 2.87Å
203A95.1Very high95.8Very high16 Ų1649.7 Ų49.713%0.13227%0.273CS..  trans-70122.9179.200000111.6V198 V200 V205 E249 A250V198-A203 HydrophobicContact CG1-CB 4.19Å; V200-A203 HydrophobicContact CB-CB 4.31Å; V200-A203 VanDerWaalsContact O-CB 3.28Å; V200-A203 WeakPolarHBondContact O-CB 3.35Å; V200-A203 PolarHBondContact O-N 2.87Å; V200-A203 VanDerWaalsContact O-N 3.09Å; A203-V205 HydrophobicContact CB-CG2 4.33Å; A203-E249 WeakPolarHBondContact CA-O 3.39Å; A203-A250 HydrophobicContact CB-CB 4.2Å
204K95.8Very high95.7Very high145 Ų14554.4 Ų54.463%0.6329%0.29SS*.EExtended strand (participates in β ladder)trans-77.5123.1164.7-177.4-173.5174.9-168.70107.8S202 A248 E249S202-K204 PolarHBondContact O-N 2.87Å; K204-A248 CarbonylContact O-C 3.36Å; K204-A248 WeakPolarHBondContact O-CA 3.27Å; K204-E249 PolarHBondContact N-O 2.82Å; K204-E249 PolarHBondContact O-N 3.17Å
205V97.3Very high95.7Very high20 Ų2059.4 Ų59.412%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-117.3141.3-179.8-167.90000110.6F174 V198 A203 Y225 F231 C246 K247 A248F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.19Å; V198-V205 HydrophobicContact CG1-CG2 3.58Å; A203-V205 HydrophobicContact CB-CG2 4.33Å; V205-Y225 HydrophobicContact CB-CE1 4.07Å; V205-Y225 HydrophobicContact CB-CE2 4.03Å; V205-Y225 HydrophobicContact CG1-CE2 3.98Å; V205-Y225 HydrophobicContact CG2-CE1 4.04Å; V205-Y225 HydrophobicContact CG2-CE2 4.4Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.42Å; V205-F231 HydrophobicContact CB-CZ 4.38Å; V205-F231 HydrophobicContact CG1-CE2 3.77Å; V205-F231 HydrophobicContact CG1-CZ 3.89Å; V205-C246 HydrophobicContact CG1-CB 4.16Å; V205-K247 CarbonylContact C-O 3.52Å; V205-K247 WeakPolarHBondContact CA-O 3.25Å; V205-A248 HydrophobicContact CG2-CB 4.11Å
206T97.6Very high95.6Very high19 Ų1958.1 Ų58.112%0.11730%0.303CS..EExtended strand (participates in β ladder)trans-133.1148.2179.450.60000109.5H208 E215 C246 K247T206-H208 WeakPolarHBondContact CB-NE2 3.4Å; T206-H208 PolarHBondContact OG1-NE2 2.97Å; T206-E215 VanDerWaalsContact CG2-OE1 3.29Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.32Å; T206-C246 CarbonylContact O-C 3.43Å; T206-C246 WeakPolarHBondContact O-CA 3.27Å; T206-K247 PolarHBondContact N-O 2.89Å; T206-K247 PolarHBondContact O-N 2.8Å; T206-K247 PolarHBondContact OG1-O 2.73Å
207L98.1Very high95.4Very high0 Ų061.5 Ų61.50%033%0.325CS..EExtended strand (participates in β ladder)trans-103.2131.9179.8-176.361.4000109.5V194 I216 I223 F231 Y233 V244V194-L207 HydrophobicContact CG1-CD1 4.43Å; L207-I216 HydrophobicContact CB-CB 4.34Å; L207-I216 HydrophobicContact CD2-CB 4.22Å; L207-I216 HydrophobicContact CD2-CD1 4Å; L207-I216 HydrophobicContact CD2-CG2 4.42Å; L207-I216 HydrophobicContact CG-CB 4.2Å; L207-I216 HydrophobicContact CG-CD1 3.98Å; L207-I216 HydrophobicContact CG-CG1 4.32Å; L207-I216 PolarHBondContact O-N 2.86Å; L207-I223 HydrophobicContact CD2-CD1 4.16Å; L207-F231 HydrophobicContact CB-CD1 4.23Å; L207-F231 HydrophobicContact CB-CD2 3.86Å; L207-F231 HydrophobicContact CB-CE1 4.1Å; L207-F231 HydrophobicContact CB-CE2 3.69Å; L207-F231 HydrophobicContact CB-CG 4.13Å; L207-F231 HydrophobicContact CB-CZ 3.83Å; L207-F231 HydrophobicContact CD1-CD2 3.8Å; L207-F231 HydrophobicContact CD1-CE2 4.22Å; L207-F231 HydrophobicContact CD1-CG 4.37Å; L207-F231 HydrophobicContact CD2-CB 4.17Å; L207-F231 HydrophobicContact CD2-CD1 4.46Å; L207-F231 HydrophobicContact CD2-CD2 4.3Å; L207-F231 HydrophobicContact CD2-CG 4.05Å; L207-F231 HydrophobicContact CG-CD2 4.19Å; L207-F231 HydrophobicContact CG-CE2 4.46Å; L207-F231 HydrophobicContact CG-CG 4.41Å; L207-Y233 HydrophobicContact CD2-CE2 4.36Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 3.99Å
208H97.8Very high95.1Very high23 Ų2361.2 Ų61.211%0.10633%0.33CS..EExtended strand (participates in β ladder)trans-128138.3-176.5-66.7-94.3000110.6T206 K214 E215 V244 Y245T206-H208 WeakPolarHBondContact CB-NE2 3.4Å; T206-H208 PolarHBondContact OG1-NE2 2.97Å; H208-K214 WeakPolarHBondContact CA-O 3.28Å; H208-E215 IonicContact CE1-OE2 2.76Å; H208-E215 PolarHBondContact CE1-OE2 3.05Å; H208-E215 IonicContact NE2-OE2 3.34Å; H208-V244 CarbonylContact O-C 3.59Å; H208-V244 WeakPolarHBondContact O-CA 3.41Å; H208-V244 WeakPolarHBondContact O-CB 3.38Å; H208-Y245 HydrophobicContact CB-CD1 4.41Å; H208-Y245 HydrophobicContact CB-CD2 4.08Å; H208-Y245 HydrophobicContact CB-CE1 3.93Å; H208-Y245 HydrophobicContact CB-CE2 3.55Å; H208-Y245 HydrophobicContact CB-CG 4.47Å; H208-Y245 VanDerWaalsContact CB-CZ 3.45Å; H208-Y245 AromaticContact CG-CE2 3.99Å; H208-Y245 PolarHBondContact N-O 2.92Å; H208-Y245 PolarHBondContact O-N 2.96Å
209R96.6Very high94.4Very high77 Ų7766.8 Ų66.829%0.29136%0.36SS..EExtended strand (participates in β ladder)trans-91.3138.3169.8-177.5170.1172.1138.42.7109F211 A213 K214 I216 D239 Q241R209-F211 PolarHBondContact NE-O 2.68Å; R209-F211 PolarHBondContact NH2-O 3.31Å; R209-A213 VanDerWaalsContact O-CA 3.32Å; R209-A213 WeakPolarHBondContact O-CA 3.41Å; R209-K214 PolarHBondContact N-O 3.29Å; R209-K214 PolarHBondContact O-N 2.98Å; R209-K214 VanDerWaalsContact O-N 3.13Å; R209-I216 HydrophobicContact CB-CD1 4.09Å; R209-I216 HydrophobicContact CB-CG1 4.15Å; R209-D239 PolarHBondContact NH1-O 2.84Å; R209-D239 VanDerWaalsContact NH1-O 3.09Å; R209-Q241 PolarHBondContact NH1-O 2.63Å; R209-Q241 VanDerWaalsContact NH1-O 3.14Å; R209-Q241 PolarHBondContact NH2-O 3.49Å
210E95.4Very high93.8Very high44 Ų4468.7 Ų68.721%0.20638%0.379CS..THydrogen-bonded Turntrans-74.8-46.4179.7-173.286.2-176.900111.9P212 A213 V243 Y245 K259E210-P212 CarbonylContact O-C 3.58Å; E210-A213 WeakPolarHBondContact O-CA 3.38Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-A213 VanDerWaalsContact O-N 3.13Å; E210-V243 HydrophobicContact CB-CB 3.92Å; E210-V243 HydrophobicContact CB-CG1 4Å; E210-V243 WeakPolarHBondContact CB-O 3.38Å; E210-V243 HydrophobicContact CG-CG1 4.48Å; E210-V243 PolarHBondContact N-O 2.84Å; E210-Y245 WeakPolarHBondContact OE2-CE1 3.43Å; E210-K259 IonicContact OE1-NZ 3.16Å; E210-K259 PolarHBondContact OE1-NZ 2.87Å; E210-K259 WeakPolarHBondContact OE2-CE 3.37Å; E210-K259 IonicContact OE2-NZ 3.12Å; E210-K259 PolarHBondContact OE2-NZ 2.73Å
211F92.1Very high93.3Very high151 Ų15173.1 Ų73.166%0.66241%0.407SS*.THydrogen-bonded Turntrans-133.9112.2-172.1-61.7-60.5000112.5R209R209-F211 PolarHBondContact NE-O 2.68Å; R209-F211 PolarHBondContact NH2-O 3.31Å
212P92.8Very high93.2Very high98 Ų9871.9 Ų71.964%0.63640%0.401SS*.THydrogen-bonded Turncis-64.5152.5-15.230.7-35.8000111.4E210 K214E210-P212 CarbonylContact O-C 3.58Å; P212-K214 PolarHBondContact O-N 2.82Å; P212-K214 VanDerWaalsContact O-N 3.15Å
213A94.9Very high93.3Very high86 Ų8667.3 Ų67.371%0.71137%0.368SS*.THydrogen-bonded Turntrans-64.3110.9-17900000111.2R209 E210R209-A213 VanDerWaalsContact O-CA 3.32Å; R209-A213 WeakPolarHBondContact O-CA 3.41Å; E210-A213 WeakPolarHBondContact O-CA 3.38Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-A213 VanDerWaalsContact O-N 3.13Å
214K95.5Very high93.4Very high141 Ų14169.2 Ų69.261%0.61338%0.376SS*.EExtended strand (participates in β ladder)trans-158.7140.4-175.9-165.6-168.5169.2-1750112.3H208 R209 P212H208-K214 WeakPolarHBondContact CA-O 3.28Å; R209-K214 PolarHBondContact N-O 3.29Å; R209-K214 PolarHBondContact O-N 2.98Å; R209-K214 VanDerWaalsContact O-N 3.13Å; P212-K214 PolarHBondContact O-N 2.82Å; P212-K214 VanDerWaalsContact O-N 3.15Å
215E96.3Very high93.4Very high104 Ų10465.5 Ų65.549%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-68.5131.1166.1-165.9166.1146.500110.4T206 H208T206-E215 VanDerWaalsContact CG2-OE1 3.29Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.32Å; H208-E215 IonicContact CE1-OE2 2.76Å; H208-E215 PolarHBondContact CE1-OE2 3.05Å; H208-E215 IonicContact NE2-OE2 3.34Å
216I95.1Very high93.3Very high31 Ų3167 Ų6716%0.15937%0.366CS..EExtended strand (participates in β ladder)trans-88.4121.9177.6-52.2-173.1000108L207 R209 V218 I223 V244L207-I216 HydrophobicContact CB-CB 4.34Å; L207-I216 HydrophobicContact CD2-CB 4.22Å; L207-I216 HydrophobicContact CD2-CD1 4Å; L207-I216 HydrophobicContact CD2-CG2 4.42Å; L207-I216 HydrophobicContact CG-CB 4.2Å; L207-I216 HydrophobicContact CG-CD1 3.98Å; L207-I216 HydrophobicContact CG-CG1 4.32Å; L207-I216 PolarHBondContact O-N 2.86Å; R209-I216 HydrophobicContact CB-CD1 4.09Å; R209-I216 HydrophobicContact CB-CG1 4.15Å; I216-V218 PolarHBondContact O-N 3.14Å; I216-I223 HydrophobicContact CG2-CD1 3.56Å; I216-V244 HydrophobicContact CD1-CG1 3.91Å
217P92Very high93.2Very high72 Ų7269.3 Ų69.347%0.46838%0.376SS..PPolyproline II helixtrans-72122.5-174.829-34.7000111.7N219P217-N219 PolarHBondContact O-N 2.82Å
218V91.1Very high93Very high60 Ų6072.3 Ų72.336%0.36439%0.389SS..  trans-9377.7-176.4-172.50000109.2I216 G220 I223 F231I216-V218 PolarHBondContact O-N 3.14Å; V218-G220 VanDerWaalsContact C-N 3.27Å; V218-G220 PolarHBondContact O-N 3.05Å; V218-I223 HydrophobicContact CG1-CG2 4.34Å; V218-I223 WeakPolarHBondContact CG1-O 3.34Å; V218-F231 HydrophobicContact CG1-CD1 4.32Å; V218-F231 HydrophobicContact CG1-CE1 4.18Å; V218-F231 HydrophobicContact CG2-CD1 4.09Å; V218-F231 HydrophobicContact CG2-CE1 3.62Å
219N81.9Confident93Very high120 Ų12075.7 Ų75.764%0.64240%0.401SS*.  trans-77.8-5.3-171-65.8-26.7000114.5P217 T221P217-N219 PolarHBondContact O-N 2.82Å; N219-T221 PolarHBondContact O-N 3.31Å
220G83.4Confident93Very high40 Ų4072 Ų7241%0.41239%0.387SS..SBendtrans78.9-13.117900000115.6V218 I223 I224V218-G220 VanDerWaalsContact C-N 3.27Å; V218-G220 PolarHBondContact O-N 3.05Å; G220-I223 WeakPolarHBondContact CA-O 3.46Å; G220-I223 PolarHBondContact N-O 2.71Å; G220-I224 VanDerWaalsContact O-CG2 3.31Å; G220-I224 WeakPolarHBondContact O-CG2 3.45Å
221T85Confident93.1Very high116 Ų11670 Ų7071%0.71238%0.377SS*.SBendtrans-95.1-34.5178.249.60000113.8N219N219-T221 PolarHBondContact O-N 3.31Å
222D90.7Very high93.4Very high49 Ų4962.8 Ų62.826%0.26235%0.346SS..SBendtrans-109.6-57.3179.5161.940.7000110.1L234 H240D222-L234 VanDerWaalsContact O-CB 3.29Å; D222-L234 WeakPolarHBondContact O-CB 3.39Å; D222-L234 WeakPolarHBondContact O-CG 3.38Å; D222-L234 PolarHBondContact O-N 3.35Å; D222-H240 IonicContact OD1-CE1 3.47Å; D222-H240 PolarHBondContact OD1-CE1 3.04Å; D222-H240 IonicContact OD2-CE1 2.69Å; D222-H240 PolarHBondContact OD2-CE1 2.91Å; D222-H240 IonicContact OD2-NE2 2.71Å
223I95.6Very high93.5Very high1 Ų158.2 Ų58.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-108.2129.5173-48.4176.8000109.8L207 I216 V218 G220 F231 V232 Y233L207-I223 HydrophobicContact CD2-CD1 4.16Å; I216-I223 HydrophobicContact CG2-CD1 3.56Å; V218-I223 HydrophobicContact CG1-CG2 4.34Å; V218-I223 WeakPolarHBondContact CG1-O 3.34Å; G220-I223 WeakPolarHBondContact CA-O 3.46Å; G220-I223 PolarHBondContact N-O 2.71Å; I223-F231 HydrophobicContact CG2-CB 4.07Å; I223-F231 HydrophobicContact CG2-CD1 3.98Å; I223-F231 HydrophobicContact CG2-CG 4.44Å; I223-V232 WeakPolarHBondContact CA-O 3.21Å; I223-Y233 HydrophobicContact CD1-CD1 3.93Å; I223-Y233 HydrophobicContact CD1-CE1 3.36Å; I223-Y233 HydrophobicContact CG1-CD1 3.7Å; I223-Y233 HydrophobicContact CG1-CE1 3.69Å; I223-Y233 HydrophobicContact CG1-CG 4.35Å
224I96.4Very high93.5Very high56 Ų5656.8 Ų56.829%0.28730%0.296SS..EExtended strand (participates in β ladder)trans-111.5157.9165.962.3169.9000110.5G220 F231 V232 L234G220-I224 VanDerWaalsContact O-CG2 3.31Å; G220-I224 WeakPolarHBondContact O-CG2 3.45Å; I224-F231 WeakPolarHBondContact O-CA 3.49Å; I224-V232 HydrophobicContact CD1-CB 4.29Å; I224-V232 HydrophobicContact CG1-CB 3.77Å; I224-V232 HydrophobicContact CG1-CG2 4.39Å; I224-V232 PolarHBondContact N-O 2.62Å; I224-V232 PolarHBondContact O-N 2.89Å; I224-L234 HydrophobicContact CD1-CD2 3.98Å; I224-L234 HydrophobicContact CG1-CD2 4.13Å; I224-L234 HydrophobicContact CG1-CG 4.42Å; I224-L234 HydrophobicContact CG2-CD1 3.91Å; I224-L234 HydrophobicContact CG2-CG 4.46Å
225Y96.4Very high93.3Very high68 Ų6855.9 Ų55.927%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-110.5130.1169-176.9-109.4000110.8V198 V205 M227 F231V198-Y225 WeakPolarHBondContact CG1-OH 3.22Å; V205-Y225 HydrophobicContact CB-CE1 4.07Å; V205-Y225 HydrophobicContact CB-CE2 4.03Å; V205-Y225 HydrophobicContact CG1-CE2 3.98Å; V205-Y225 HydrophobicContact CG2-CE1 4.04Å; V205-Y225 HydrophobicContact CG2-CE2 4.4Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.42Å; Y225-M227 HydrophobicContact CE1-CB 4.36Å; Y225-F231 AromaticContact CD2-CD1 3.67Å; Y225-F231 HydrophobicContact CD2-CD1 3.67Å; Y225-F231 AromaticContact CD2-CD2 3.98Å; Y225-F231 HydrophobicContact CD2-CD2 3.98Å; Y225-F231 AromaticContact CD2-CE1 3.48Å; Y225-F231 HydrophobicContact CD2-CE1 3.48Å; Y225-F231 VanDerWaalsContact CD2-CE1 3.48Å; Y225-F231 AromaticContact CD2-CE2 3.84Å; Y225-F231 HydrophobicContact CD2-CE2 3.84Å; Y225-F231 AromaticContact CD2-CG 3.91Å; Y225-F231 HydrophobicContact CD2-CG 3.91Å; Y225-F231 AromaticContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CE2-CD2 4.37Å; Y225-F231 HydrophobicContact CE2-CE1 4.49Å; Y225-F231 HydrophobicContact CE2-CE2 4.13Å; Y225-F231 HydrophobicContact CE2-CZ 4.18Å; Y225-F231 HydrophobicContact CG-CD1 4.2Å; Y225-F231 AromaticContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CZ 4.17Å
226D95.6Very high93.2Very high51 Ų5151 Ų5127%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-125.8116.5172.9173.5-2.1000108.8K228 R229 G230D226-K228 PolarHBondContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CB 2.98Å; D226-K228 PolarHBondContact OD1-N 3.35Å; D226-R229 HydrophobicContact CB-CB 4.14Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CD 3.49Å; D226-R229 WeakPolarHBondContact OD2-CG 3.01Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 PolarHBondContact O-N 2.76Å
227M94.6Very high92.9Very high67 Ų6753.1 Ų53.133%0.3328%0.28SS..THydrogen-bonded Turntrans-53.3-24.5178.759175.562.100114.6F166 V198 L201 Y225F166-M227 HydrophobicContact CE1-CB 4.49Å; F166-M227 HydrophobicContact CE2-SD 4.2Å; F166-M227 HydrophobicContact CZ-CB 4.22Å; F166-M227 HydrophobicContact CZ-CG 3.93Å; F166-M227 HydrophobicContact CZ-SD 3.72Å; V198-M227 HydrophobicContact CG2-CB 3.91Å; L201-M227 HydrophobicContact CD2-CE 4.25Å; L201-M227 HydrophobicContact CD2-SD 3.6Å; Y225-M227 HydrophobicContact CE1-CB 4.36Å
228K94.8Very high92.9Very high63 Ų6352.1 Ų52.127%0.27428%0.275SS..THydrogen-bonded Turntrans-90.1-16.1179.3-59.4-173.3174.3-170.80113.7T83 Y164 F166 R197 D226T83-K228 WeakPolarHBondContact OG1-CE 3.15Å; T83-K228 PolarHBondContact OG1-NZ 3.47Å; Y164-K228 VanDerWaalsContact CB-CE 3.42Å; Y164-K228 VanDerWaalsContact CB-NZ 3.27Å; Y164-K228 HydrophobicContact CD1-CD 4.5Å; Y164-K228 HydrophobicContact CD1-CG 4.25Å; Y164-K228 HydrophobicContact CD2-CB 4.05Å; Y164-K228 HydrophobicContact CD2-CD 3.5Å; Y164-K228 VanDerWaalsContact CD2-CD 3.5Å; Y164-K228 HydrophobicContact CD2-CG 3.66Å; Y164-K228 HydrophobicContact CE1-CG 4.24Å; Y164-K228 HydrophobicContact CE2-CB 3.61Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.64Å; Y164-K228 HydrophobicContact CG-CD 3.78Å; Y164-K228 HydrophobicContact CG-CG 3.97Å; F166-K228 HydrophobicContact CZ-CG 4.46Å; R197-K228 WeakPolarHBondContact CD-O 3.32Å; D226-K228 PolarHBondContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CB 2.98Å; D226-K228 PolarHBondContact OD1-N 3.35Å
229R95.9Very high92.9Very high95 Ų9554.4 Ų54.436%0.35829%0.285SS..THydrogen-bonded Turntrans-121.2-36.2-176.1-66.5174.268.7-165.6-0.3113.9Q191 V193 P195 D226 V232Q191-R229 VanDerWaalsContact OE1-NH2 3.16Å; V193-R229 HydrophobicContact CG1-CB 4.19Å; V193-R229 VanDerWaalsContact CG1-O 3.27Å; V193-R229 WeakPolarHBondContact CG1-O 3.33Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; D226-R229 HydrophobicContact CB-CB 4.14Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CD 3.49Å; D226-R229 WeakPolarHBondContact OD2-CG 3.01Å; R229-V232 HydrophobicContact CB-CG2 4.28Å
230G97.1Very high93.4Very high0 Ų050.1 Ų50.10%026%0.261CS..EExtended strand (participates in β ladder)trans110.3-153.3-167.900000111.8V194 D226V194-G230 VanDerWaalsContact O-CA 3.31Å; V194-G230 WeakPolarHBondContact O-CA 3.34Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 PolarHBondContact O-N 2.76Å
231F97.9Very high93.8Very high1 Ų149.7 Ų49.70%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-81.9131.7170.4-69-80.1000110.2V193 V194 V205 L207 V218 I223 I224 Y225 C246V193-F231 CarbonylContact C-O 3.53Å; V193-F231 WeakPolarHBondContact CA-O 3.47Å; V194-F231 HydrophobicContact CB-CB 4.34Å; V194-F231 PolarHBondContact N-O 3.29Å; V194-F231 PolarHBondContact O-N 3.34Å; V194-F231 VanDerWaalsContact O-N 3.13Å; V205-F231 HydrophobicContact CB-CZ 4.38Å; V205-F231 HydrophobicContact CG1-CE2 3.77Å; V205-F231 HydrophobicContact CG1-CZ 3.89Å; L207-F231 HydrophobicContact CB-CD1 4.23Å; L207-F231 HydrophobicContact CB-CD2 3.86Å; L207-F231 HydrophobicContact CB-CE1 4.1Å; L207-F231 HydrophobicContact CB-CE2 3.69Å; L207-F231 HydrophobicContact CB-CG 4.13Å; L207-F231 HydrophobicContact CB-CZ 3.83Å; L207-F231 HydrophobicContact CD1-CD2 3.8Å; L207-F231 HydrophobicContact CD1-CE2 4.22Å; L207-F231 HydrophobicContact CD1-CG 4.37Å; L207-F231 HydrophobicContact CD2-CB 4.17Å; L207-F231 HydrophobicContact CD2-CD1 4.46Å; L207-F231 HydrophobicContact CD2-CD2 4.3Å; L207-F231 HydrophobicContact CD2-CG 4.05Å; L207-F231 HydrophobicContact CG-CD2 4.19Å; L207-F231 HydrophobicContact CG-CE2 4.46Å; L207-F231 HydrophobicContact CG-CG 4.41Å; V218-F231 HydrophobicContact CG1-CD1 4.32Å; V218-F231 HydrophobicContact CG1-CE1 4.18Å; V218-F231 HydrophobicContact CG2-CD1 4.09Å; V218-F231 HydrophobicContact CG2-CE1 3.62Å; I223-F231 HydrophobicContact CG2-CB 4.07Å; I223-F231 HydrophobicContact CG2-CD1 3.98Å; I223-F231 HydrophobicContact CG2-CG 4.44Å; I224-F231 WeakPolarHBondContact O-CA 3.49Å; Y225-F231 AromaticContact CD2-CD1 3.67Å; Y225-F231 HydrophobicContact CD2-CD1 3.67Å; Y225-F231 AromaticContact CD2-CD2 3.98Å; Y225-F231 HydrophobicContact CD2-CD2 3.98Å; Y225-F231 AromaticContact CD2-CE1 3.48Å; Y225-F231 HydrophobicContact CD2-CE1 3.48Å; Y225-F231 VanDerWaalsContact CD2-CE1 3.48Å; Y225-F231 AromaticContact CD2-CE2 3.84Å; Y225-F231 HydrophobicContact CD2-CE2 3.84Å; Y225-F231 AromaticContact CD2-CG 3.91Å; Y225-F231 HydrophobicContact CD2-CG 3.91Å; Y225-F231 AromaticContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CE2-CD2 4.37Å; Y225-F231 HydrophobicContact CE2-CE1 4.49Å; Y225-F231 HydrophobicContact CE2-CE2 4.13Å; Y225-F231 HydrophobicContact CE2-CZ 4.18Å; Y225-F231 HydrophobicContact CG-CD1 4.2Å; Y225-F231 AromaticContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CZ 4.17Å; F231-C246 VanDerWaalsContact CD2-SG 3.57Å; F231-C246 HydrophobicContact CE2-CB 4.14Å
232V97.6Very high94.3Very high0 Ų045.1 Ų45.10%022%0.224CC..EExtended strand (participates in β ladder)trans-113116.3178.7-1730000108.4Q191 A192 V193 I223 I224 R229 L234Q191-V232 HydrophobicContact CB-CG1 3.99Å; Q191-V232 HydrophobicContact CG-CG1 4.32Å; A192-V232 CarbonylContact O-C 3.55Å; A192-V232 WeakPolarHBondContact O-CA 3.1Å; V193-V232 HydrophobicContact CG1-CG2 4.38Å; V193-V232 HydrophobicContact CG2-CG1 4.31Å; V193-V232 HydrophobicContact CG2-CG2 4.21Å; I223-V232 WeakPolarHBondContact CA-O 3.21Å; I224-V232 HydrophobicContact CD1-CB 4.29Å; I224-V232 HydrophobicContact CG1-CB 3.77Å; I224-V232 HydrophobicContact CG1-CG2 4.39Å; I224-V232 PolarHBondContact N-O 2.62Å; I224-V232 PolarHBondContact O-N 2.89Å; R229-V232 HydrophobicContact CB-CG2 4.28Å; V232-L234 HydrophobicContact CG1-CD2 4.35Å
233Y96.4Very high94.5Very high2 Ų244.4 Ų44.41%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-77.8116.3166.9-73-94.8000107.9Q191 A192 V194 L207 I223 H240 L262Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.32Å; A192-Y233 PolarHBondContact N-O 3.34Å; A192-Y233 VanDerWaalsContact N-O 3.15Å; A192-Y233 PolarHBondContact O-N 2.71Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.84Å; L207-Y233 HydrophobicContact CD2-CE2 4.36Å; I223-Y233 HydrophobicContact CD1-CD1 3.93Å; I223-Y233 HydrophobicContact CD1-CE1 3.36Å; I223-Y233 HydrophobicContact CG1-CD1 3.7Å; I223-Y233 HydrophobicContact CG1-CE1 3.69Å; I223-Y233 HydrophobicContact CG1-CG 4.35Å; Y233-H240 AromaticContact CD1-CE1 3.8Å; Y233-H240 AromaticContact CD1-ND1 3.28Å; Y233-H240 VanDerWaalsContact CD1-ND1 3.28Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.43Å; Y233-H240 HydrophobicContact CE1-CB 3.96Å; Y233-H240 AromaticContact CE1-CE1 3.87Å; Y233-H240 AromaticContact CE1-CG 3.65Å; Y233-H240 AromaticContact CE1-ND1 3.34Å; Y233-H240 VanDerWaalsContact CE1-ND1 3.34Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.48Å; Y233-L262 HydrophobicContact CE2-CD2 3.87Å
234L94.3Very high94.6Very high56 Ų5644.5 Ų44.529%0.29322%0.222SC..SBendtrans-75.9-39.2-175.7-65.2178.8000111.9D222 I224 V232D222-L234 VanDerWaalsContact O-CB 3.29Å; D222-L234 WeakPolarHBondContact O-CB 3.39Å; D222-L234 WeakPolarHBondContact O-CG 3.38Å; D222-L234 PolarHBondContact O-N 3.35Å; I224-L234 HydrophobicContact CD1-CD2 3.98Å; I224-L234 HydrophobicContact CG1-CD2 4.13Å; I224-L234 HydrophobicContact CG1-CG 4.42Å; I224-L234 HydrophobicContact CG2-CD1 3.91Å; I224-L234 HydrophobicContact CG2-CG 4.46Å; V232-L234 HydrophobicContact CG1-CD2 4.35Å
235Q91.9Very high94.7Very high121 Ų12144 Ų4457%0.56522%0.217SC*.SBendtrans-134.891.2174.3-172.2172.20.400109.5H237Q235-H237 PolarHBondContact O-CD2 3.23Å
236P92.8Very high94.8Very high1 Ų140.8 Ų40.81%0.00621%0.205CC..  trans-66.2139.9-176.6-2132.9000113.6L186 N187 R190 A192L186-P236 HydrophobicContact CB-CB 3.76Å; L186-P236 HydrophobicContact CD2-CB 4.21Å; L186-P236 HydrophobicContact CG-CB 4.44Å; N187-P236 WeakPolarHBondContact O-CD 3.39Å; N187-P236 WeakPolarHBondContact O-CG 3.43Å; R190-P236 WeakPolarHBondContact O-CD 3.4Å; R190-P236 WeakPolarHBondContact O-CG 3.37Å; A192-P236 HydrophobicContact CB-CG 3.81Å
237H90.8Very high94.8Very high77 Ų7742.2 Ų42.236%0.35621%0.208SC..  trans-126.9167.4178.5-64.3-47.9000110.9Q235 D239 H240 Y264Q235-H237 PolarHBondContact O-CD2 3.23Å; H237-D239 VanDerWaalsContact CB-OD1 3.22Å; H237-D239 WeakPolarHBondContact CB-OD1 3.46Å; H237-H240 WeakPolarHBondContact O-CB 3.24Å; H237-H240 PolarHBondContact O-N 3.4Å; H237-Y264 VanDerWaalsContact C-CD2 3.48Å; H237-Y264 WeakPolarHBondContact O-CD2 3.36Å
238S91Very high95Very high51 Ų5139 Ų3936%0.35719%0.193SC..SBendtrans-78.7-21.3-174.852.40000114.3H240 Q241S238-H240 VanDerWaalsContact C-N 3.27Å; S238-H240 PolarHBondContact O-N 3.41Å; S238-Q241 WeakPolarHBondContact O-CB 3.33Å; S238-Q241 VanDerWaalsContact O-CG 3.25Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.48Å; S238-Q241 PolarHBondContact O-OE1 3.28Å
239D90.7Very high95.1Very high107 Ų10740.9 Ų40.957%0.57220%0.202SC*.THydrogen-bonded Turntrans-70.9-22.717366.7-35.2000113.1R209 H237 Q241R209-D239 PolarHBondContact NH1-O 2.84Å; R209-D239 VanDerWaalsContact NH1-O 3.09Å; H237-D239 VanDerWaalsContact CB-OD1 3.22Å; H237-D239 WeakPolarHBondContact CB-OD1 3.46Å; D239-Q241 PolarHBondContact O-N 2.79Å
240H92.6Very high95Very high31 Ų3137 Ų3714%0.14419%0.191CC..THydrogen-bonded Turntrans-69.1-5.6171-61.5173000113.7L186 D222 Y233 H237 S238 L262L186-H240 HydrophobicContact CD1-CB 3.61Å; D222-H240 IonicContact OD1-CE1 3.47Å; D222-H240 PolarHBondContact OD1-CE1 3.04Å; D222-H240 IonicContact OD2-CE1 2.69Å; D222-H240 PolarHBondContact OD2-CE1 2.91Å; D222-H240 IonicContact OD2-NE2 2.71Å; Y233-H240 AromaticContact CD1-CE1 3.8Å; Y233-H240 AromaticContact CD1-ND1 3.28Å; Y233-H240 VanDerWaalsContact CD1-ND1 3.28Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.43Å; Y233-H240 HydrophobicContact CE1-CB 3.96Å; Y233-H240 AromaticContact CE1-CE1 3.87Å; Y233-H240 AromaticContact CE1-CG 3.65Å; Y233-H240 AromaticContact CE1-ND1 3.34Å; Y233-H240 VanDerWaalsContact CE1-ND1 3.34Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.48Å; H237-H240 WeakPolarHBondContact O-CB 3.24Å; H237-H240 PolarHBondContact O-N 3.4Å; S238-H240 VanDerWaalsContact C-N 3.27Å; S238-H240 PolarHBondContact O-N 3.41Å; H240-L262 WeakPolarHBondContact O-CD2 3.49Å
241Q92.6Very high94.6Very high30 Ų3041.1 Ų41.114%0.1423%0.233CC..  trans-64.6148174-70.9-172.1-99.400113.4R209 S238 D239 Y264 G332R209-Q241 PolarHBondContact NH1-O 2.63Å; R209-Q241 VanDerWaalsContact NH1-O 3.14Å; R209-Q241 PolarHBondContact NH2-O 3.49Å; S238-Q241 WeakPolarHBondContact O-CB 3.33Å; S238-Q241 VanDerWaalsContact O-CG 3.25Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.48Å; S238-Q241 PolarHBondContact O-OE1 3.28Å; D239-Q241 PolarHBondContact O-N 2.79Å; Q241-Y264 VanDerWaalsContact NE2-N 3.16Å; Q241-G332 PolarHBondContact NE2-O 3Å
242G93.8Very high94.1Very high20 Ų2044.9 Ų44.921%0.20627%0.272CS..EExtended strand (participates in β ladder)trans137-170.4177.700000112.5Q261 L262G242-Q261 PolarHBondContact O-NE2 2.64Å; G242-L262 PolarHBondContact N-O 3.26Å; G242-L262 PolarHBondContact O-N 3.29Å
243V96.8Very high93.8Very high35 Ų3549.7 Ų49.721%0.21229%0.293CS..EExtended strand (participates in β ladder)trans-93128.7174.1-1790000109.5E210 K259 Y260 Q261E210-V243 HydrophobicContact CB-CB 3.92Å; E210-V243 HydrophobicContact CB-CG1 4Å; E210-V243 WeakPolarHBondContact CB-O 3.38Å; E210-V243 HydrophobicContact CG-CG1 4.48Å; E210-V243 PolarHBondContact N-O 2.84Å; V243-K259 HydrophobicContact CG1-CB 3.87Å; V243-K259 HydrophobicContact CG1-CD 4.09Å; V243-K259 HydrophobicContact CG1-CG 4.26Å; V243-Y260 WeakPolarHBondContact CA-O 3.44Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.29Å
244V97.7Very high93.8Very high2 Ų252.5 Ų52.51%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-126.7159174.2-50.90000111.1V194 L207 H208 I216 Y260 L262V194-V244 HydrophobicContact CG1-CG2 4.15Å; V194-V244 HydrophobicContact CG2-CG2 4.17Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 3.99Å; H208-V244 CarbonylContact O-C 3.59Å; H208-V244 WeakPolarHBondContact O-CA 3.41Å; H208-V244 WeakPolarHBondContact O-CB 3.38Å; I216-V244 HydrophobicContact CD1-CG1 3.91Å; V244-Y260 PolarHBondContact N-O 3.31Å; V244-Y260 PolarHBondContact O-N 3.07Å; V244-L262 HydrophobicContact CG1-CD1 4.49Å; V244-L262 HydrophobicContact CG1-CD2 4.16Å; V244-L262 HydrophobicContact CG2-CD1 3.54Å; V244-L262 HydrophobicContact CG2-CD2 4.22Å
245Y97.7Very high93.9Very high47 Ų4752 Ų5218%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-145156.7170.760.8-89.8000110.1H208 E210 I256H208-Y245 HydrophobicContact CB-CD1 4.41Å; H208-Y245 HydrophobicContact CB-CD2 4.08Å; H208-Y245 HydrophobicContact CB-CE1 3.93Å; H208-Y245 HydrophobicContact CB-CE2 3.55Å; H208-Y245 HydrophobicContact CB-CG 4.47Å; H208-Y245 VanDerWaalsContact CB-CZ 3.45Å; H208-Y245 AromaticContact CG-CE2 3.99Å; H208-Y245 PolarHBondContact N-O 2.92Å; H208-Y245 PolarHBondContact O-N 2.96Å; E210-Y245 WeakPolarHBondContact OE2-CE1 3.43Å; Y245-I256 HydrophobicContact CD2-CB 4.22Å; Y245-I256 HydrophobicContact CD2-CG2 4.04Å; Y245-I256 HydrophobicContact CE2-CG2 4.04Å
246C97.7Very high94Very high0 Ų051 Ų510%031%0.306CS..EExtended strand (participates in β ladder)trans-97.9140.6175.9-52.70000109.5F174 C196 V205 T206 F231 I256 S257F174-C246 HydrophobicContact CE1-CB 3.82Å; F174-C246 HydrophobicContact CZ-CB 3.57Å; F174-C246 WeakPolarHBondContact CZ-O 3.36Å; C196-C246 HydrophobicContact CB-CB 3.48Å; C196-C246 VanDerWaalsContact CB-CB 3.48Å; C196-C246 WeakPolarHBondContact CB-SG 3.37Å; C196-C246 WeakPolarHBondContact SG-CB 3.42Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 3.48Å; V205-C246 HydrophobicContact CG1-CB 4.16Å; T206-C246 CarbonylContact O-C 3.43Å; T206-C246 WeakPolarHBondContact O-CA 3.27Å; F231-C246 VanDerWaalsContact CD2-SG 3.57Å; F231-C246 HydrophobicContact CE2-CB 4.14Å; C246-I256 CarbonylContact O-C 3.57Å; C246-I256 WeakPolarHBondContact O-CA 3.38Å; C246-S257 PolarHBondContact N-OG 2.88Å; C246-S257 PolarHBondContact O-N 2.81Å; C246-S257 PolarHBondContact O-OG 2.86Å
247K97.5Very high94.2Very high81 Ų8151.6 Ų51.635%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-116.4118.6172.3-178.8-171.3175.3-169.40109V205 T206 S254 Q255 I256V205-K247 CarbonylContact C-O 3.52Å; V205-K247 WeakPolarHBondContact CA-O 3.25Å; T206-K247 PolarHBondContact N-O 2.89Å; T206-K247 PolarHBondContact O-N 2.8Å; T206-K247 PolarHBondContact OG1-O 2.73Å; K247-S254 WeakPolarHBondContact CE-OG 3.38Å; K247-Q255 WeakPolarHBondContact CA-O 3.23Å; K247-I256 HydrophobicContact CB-CG2 4.35Å; K247-I256 HydrophobicContact CG-CG2 4.32Å
248A97.6Very high94.5Very high0 Ų049.8 Ų49.80%031%0.305CS..EExtended strand (participates in β ladder)trans-100.1150174.500000110.9L173 F174 K204 V205 S254 Q255L173-A248 HydrophobicContact CB-CB 3.84Å; L173-A248 HydrophobicContact CD1-CB 3.97Å; F174-A248 HydrophobicContact CD2-CB 4.33Å; F174-A248 HydrophobicContact CE1-CB 4.09Å; F174-A248 HydrophobicContact CE2-CB 3.64Å; F174-A248 HydrophobicContact CZ-CB 3.5Å; K204-A248 CarbonylContact O-C 3.36Å; K204-A248 WeakPolarHBondContact O-CA 3.27Å; V205-A248 HydrophobicContact CG2-CB 4.11Å; A248-S254 CarbonylContact O-C 3.54Å; A248-S254 WeakPolarHBondContact O-CA 3.27Å; A248-S254 WeakPolarHBondContact O-CB 3.28Å; A248-S254 PolarHBondContact O-OG 3.42Å; A248-Q255 PolarHBondContact N-O 3.23Å; A248-Q255 PolarHBondContact O-N 3.14Å
249E96.4Very high94.7Very high101 Ų10151.1 Ų51.147%0.47231%0.305SS..EExtended strand (participates in β ladder)trans-139.1126.5172.3-167.9-176.5148.400110.3A203 K204 K253A203-E249 WeakPolarHBondContact CA-O 3.39Å; K204-E249 PolarHBondContact N-O 2.82Å; K204-E249 PolarHBondContact O-N 3.17Å; E249-K253 CarbonylContact C-O 3.57Å; E249-K253 VanDerWaalsContact CA-O 3.31Å; E249-K253 WeakPolarHBondContact CA-O 3.43Å; E249-K253 WeakPolarHBondContact CG-O 3.49Å
250A94.8Very high95Very high14 Ų1446.5 Ų46.512%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-152.8139.2176.200000110.7L173 V200 A203 G252 K253L173-A250 HydrophobicContact CD1-CB 4.29Å; L173-A250 HydrophobicContact CD2-CB 3.83Å; V200-A250 HydrophobicContact CG1-CB 4.04Å; A203-A250 HydrophobicContact CB-CB 4.2Å; A250-G252 VanDerWaalsContact C-N 3.26Å; A250-G252 PolarHBondContact O-N 3.33Å; A250-G252 VanDerWaalsContact O-N 3.17Å; A250-K253 PolarHBondContact N-O 2.9Å; A250-K253 PolarHBondContact O-N 2.83Å
251G88.5Confident95.2Very high87 Ų8748.1 Ų48.190%0.89729%0.287SS*.THydrogen-bonded Turntrans57.831.7171.800000115.2K253G251-K253 VanDerWaalsContact C-N 3.27Å; G251-K253 PolarHBondContact O-N 3.15Å
252G88.1Confident95.3Very high79 Ų7946.7 Ų46.781%0.81428%0.28SS*.THydrogen-bonded Turntrans76.27.5-176.400000115A250A250-G252 VanDerWaalsContact C-N 3.26Å; A250-G252 PolarHBondContact O-N 3.33Å; A250-G252 VanDerWaalsContact O-N 3.17Å
253K90.7Very high95.2Very high101 Ų10147.3 Ų47.344%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-108.2151.2169.8-66.4-170.6172.9-161.90110.5K170 E249 A250 G251K170-K253 PolarHBondContact O-NZ 3.13Å; E249-K253 CarbonylContact C-O 3.57Å; E249-K253 VanDerWaalsContact CA-O 3.31Å; E249-K253 WeakPolarHBondContact CA-O 3.43Å; E249-K253 WeakPolarHBondContact CG-O 3.49Å; A250-K253 PolarHBondContact N-O 2.9Å; A250-K253 PolarHBondContact O-N 2.83Å; G251-K253 VanDerWaalsContact C-N 3.27Å; G251-K253 PolarHBondContact O-N 3.15Å
254S95.5Very high95Very high62 Ų6247 Ų4743%0.43427%0.274SS..EExtended strand (participates in β ladder)trans-130.5145.6167-173.80000110.5K247 A248K247-S254 WeakPolarHBondContact CE-OG 3.38Å; A248-S254 CarbonylContact O-C 3.54Å; A248-S254 WeakPolarHBondContact O-CA 3.27Å; A248-S254 WeakPolarHBondContact O-CB 3.28Å; A248-S254 PolarHBondContact O-OG 3.42Å
255Q96.2Very high94.6Very high45 Ų4546.9 Ų46.921%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-132.3149177.4-166-176.523.500108.3E172 L173 F174 K247 A248E172-Q255 PolarHBondContact OE2-NE2 3.13Å; L173-Q255 HydrophobicContact CB-CB 4.24Å; L173-Q255 HydrophobicContact CD1-CB 4.13Å; L173-Q255 HydrophobicContact CG-CB 4.21Å; F174-Q255 HydrophobicContact CD2-CB 4.38Å; F174-Q255 HydrophobicContact CD2-CG 4.3Å; F174-Q255 VanDerWaalsContact N-OE1 3.11Å; K247-Q255 WeakPolarHBondContact CA-O 3.23Å; A248-Q255 PolarHBondContact N-O 3.23Å; A248-Q255 PolarHBondContact O-N 3.14Å
256I95.7Very high93.6Very high99 Ų9949.7 Ų49.751%0.50829%0.288SS..EExtended strand (participates in β ladder)trans-104.2146.3165.460174.5000109.8Y245 C246 K247Y245-I256 HydrophobicContact CD2-CB 4.22Å; Y245-I256 HydrophobicContact CD2-CG2 4.04Å; Y245-I256 HydrophobicContact CE2-CG2 4.04Å; C246-I256 CarbonylContact O-C 3.57Å; C246-I256 WeakPolarHBondContact O-CA 3.38Å; K247-I256 HydrophobicContact CB-CG2 4.35Å; K247-I256 HydrophobicContact CG-CG2 4.32Å
257S96.6Very high92.6Very high15 Ų1550.4 Ų50.411%0.10529%0.292CS..  trans-71.9175.7171.767.50000111.4C246 Y260C246-S257 PolarHBondContact N-OG 2.88Å; C246-S257 PolarHBondContact O-N 2.81Å; C246-S257 PolarHBondContact O-OG 2.86Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.5Å
258V95.8Very high91.4Very high39 Ų3951.3 Ų51.324%0.23631%0.306CS..  trans-57.5163.3156.7-59.10000110.7S179 Y260S179-V258 WeakPolarHBondContact O-CG1 3.32Å; V258-Y260 HydrophobicContact CG2-CE1 3.91Å; V258-Y260 HydrophobicContact CG2-CE2 4.32Å; V258-Y260 WeakPolarHBondContact O-CD2 3.22Å; V258-Y260 VanDerWaalsContact O-CE2 3.28Å; V258-Y260 WeakPolarHBondContact O-CE2 3.15Å
259K96.5Very high90.5Very high79 Ų7953.1 Ų53.134%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-90.5139.4-178.7-69.5-177.4-176.5-176.60111F181 D182 E210 V243F181-K259 VanDerWaalsContact CA-O 3.22Å; F181-K259 WeakPolarHBondContact CA-O 3.48Å; D182-K259 PolarHBondContact N-O 3.3Å; D182-K259 VanDerWaalsContact N-O 3.1Å; E210-K259 IonicContact OE1-NZ 3.16Å; E210-K259 PolarHBondContact OE1-NZ 2.87Å; E210-K259 WeakPolarHBondContact OE2-CE 3.37Å; E210-K259 IonicContact OE2-NZ 3.12Å; E210-K259 PolarHBondContact OE2-NZ 2.73Å; V243-K259 HydrophobicContact CG1-CB 3.87Å; V243-K259 HydrophobicContact CG1-CD 4.09Å; V243-K259 HydrophobicContact CG1-CG 4.26Å
260Y97.4Very high89.9Confident10 Ų1049.2 Ų49.24%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-112.7124.2-178.1-57.7-78000109.9D182 V184 V194 P195 C196 V243 V244 S257 V258D182-Y260 HydrophobicContact CB-CD1 3.71Å; D182-Y260 HydrophobicContact CB-CE1 3.85Å; D182-Y260 CarbonylContact O-C 3.6Å; D182-Y260 VanDerWaalsContact O-CA 3.27Å; D182-Y260 WeakPolarHBondContact O-CA 3.32Å; V184-Y260 HydrophobicContact CG2-CD1 4.32Å; V194-Y260 HydrophobicContact CG1-CD1 4.33Å; V194-Y260 HydrophobicContact CG1-CD2 3.29Å; V194-Y260 HydrophobicContact CG1-CE2 3.7Å; V194-Y260 HydrophobicContact CG1-CG 3.65Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.65Å; C196-Y260 HydrophobicContact CB-CE2 4.01Å; V243-Y260 WeakPolarHBondContact CA-O 3.44Å; V244-Y260 PolarHBondContact N-O 3.31Å; V244-Y260 PolarHBondContact O-N 3.07Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.5Å; V258-Y260 HydrophobicContact CG2-CE1 3.91Å; V258-Y260 HydrophobicContact CG2-CE2 4.32Å; V258-Y260 WeakPolarHBondContact O-CD2 3.22Å; V258-Y260 VanDerWaalsContact O-CE2 3.28Å; V258-Y260 WeakPolarHBondContact O-CE2 3.15Å
261Q95.3Very high89.6Confident64 Ų6452 Ų5230%0.29932%0.323SS..EExtended strand (participates in β ladder)trans-93.4109.2176175.857.972.400109.4D182 V184 G242 V243 L263D182-Q261 PolarHBondContact O-N 3.05Å; V184-Q261 PolarHBondContact N-O 3.01Å; G242-Q261 PolarHBondContact O-NE2 2.64Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.29Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; Q261-L263 HydrophobicContact CG-CG 4.08Å
262L95.1Very high89.8Confident0 Ų048 Ų480%028%0.281CS..EExtended strand (participates in β ladder)trans-87.5122.9179.2-81.156.4000109.2V184 L186 V194 Y233 H240 G242 V244V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.24Å; V184-L262 HydrophobicContact CG2-CD1 4.37Å; V184-L262 WeakPolarHBondContact O-CA 3.07Å; L186-L262 HydrophobicContact CD1-CB 4.03Å; L186-L262 HydrophobicContact CD1-CD2 4.3Å; L186-L262 HydrophobicContact CD1-CG 4.41Å; L186-L262 HydrophobicContact CD2-CB 4.42Å; L186-L262 HydrophobicContact CD2-CD2 4.13Å; L186-L262 HydrophobicContact CD2-CG 4.05Å; L186-L262 HydrophobicContact CG-CB 4.15Å; L186-L262 HydrophobicContact CG-CG 4.34Å; V194-L262 HydrophobicContact CG2-CD1 4.19Å; V194-L262 HydrophobicContact CG2-CD2 4.45Å; Y233-L262 HydrophobicContact CE2-CD2 3.87Å; H240-L262 WeakPolarHBondContact O-CD2 3.49Å; G242-L262 PolarHBondContact N-O 3.26Å; G242-L262 PolarHBondContact O-N 3.29Å; V244-L262 HydrophobicContact CG1-CD1 4.49Å; V244-L262 HydrophobicContact CG1-CD2 4.16Å; V244-L262 HydrophobicContact CG2-CD1 3.54Å; V244-L262 HydrophobicContact CG2-CD2 4.22Å
263L92.7Very high89.9Confident33 Ų3347.8 Ų47.817%0.17327%0.267CS..EExtended strand (participates in β ladder)trans-124.4127.9-179.3-62.1179.8000109.4V183 V184 Y185 L186 Q261 T334V183-L263 HydrophobicContact CG1-CD1 3.78Å; V183-L263 HydrophobicContact CG1-CG 4.27Å; V184-L263 PolarHBondContact O-N 3.39Å; Y185-L263 CarbonylContact C-O 3.6Å; Y185-L263 WeakPolarHBondContact CA-O 3.48Å; Y185-L263 HydrophobicContact CD1-CB 4.01Å; Y185-L263 HydrophobicContact CE1-CB 4.23Å; Y185-L263 HydrophobicContact CE1-CD1 3.94Å; L186-L263 PolarHBondContact N-O 3.45Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; Q261-L263 HydrophobicContact CG-CG 4.08Å; L263-T334 HydrophobicContact CD1-CG2 4.37Å
264Y91.4Very high90.2Very high29 Ų2943.7 Ų43.711%0.11425%0.25CS..EExtended strand (participates in β ladder)trans-88.5139.6-179.8-172.3-94.6000111.3L186 H237 Q241 H333 T334L186-Y264 HydrophobicContact CB-CD2 3.92Å; L186-Y264 CarbonylContact O-C 3.58Å; L186-Y264 WeakPolarHBondContact O-CA 3.5Å; H237-Y264 VanDerWaalsContact C-CD2 3.48Å; H237-Y264 WeakPolarHBondContact O-CD2 3.36Å; Q241-Y264 VanDerWaalsContact NE2-N 3.16Å; Y264-H333 AromaticContact CD1-CD2 3.56Å; Y264-H333 AromaticContact CD1-NE2 3.78Å; Y264-H333 CarbonylContact O-C 3.55Å; Y264-H333 VanDerWaalsContact O-CA 3.31Å; Y264-H333 WeakPolarHBondContact O-CA 3.21Å; Y264-T334 PolarHBondContact O-N 2.95Å
265V89Confident90.2Very high0 Ų044.8 Ų44.80%026%0.255CS..  trans-120.4121.7-174179.80000108.9Y185 L186 N187 P188 V267 P299Y185-V265 HydrophobicContact CD1-CG2 3.78Å; Y185-V265 HydrophobicContact CG-CG2 4.24Å; L186-V265 PolarHBondContact O-N 3.33Å; N187-V265 WeakPolarHBondContact OD1-CB 3.11Å; P188-V265 VanDerWaalsContact CD-O 3.27Å; P188-V265 WeakPolarHBondContact CD-O 3.32Å; V265-V267 HydrophobicContact CG1-CG2 3.44Å; V265-V267 VanDerWaalsContact CG1-CG2 3.44Å; V265-P299 HydrophobicContact CG2-CG 4Å
266E77.6Confident90.3Very high106 Ų10644.4 Ų44.450%0.49525%0.253SS..  trans-98.60.1-173.2-169.9172-140.200113.3H333E266-H333 HydrophobicContact CB-CB 4.1Å; E266-H333 IonicContact OE1-CE1 3.76Å; E266-H333 PolarHBondContact OE1-CE1 3.19Å; E266-H333 IonicContact OE1-ND1 2.66Å; E266-H333 PolarHBondContact OE1-ND1 3.27Å; E266-H333 IonicContact OE2-CE1 2.81Å; E266-H333 IonicContact OE2-CG 2.67Å; E266-H333 IonicContact OE2-ND1 2.75Å; E266-H333 PolarHBondContact OE2-ND1 3.41Å
267V75.9Confident90.4Very high14 Ų1445.2 Ų45.29%0.08526%0.258CS..SBendtrans-94133.8176.8-74.90000110.8V265 L296 E298 T335V265-V267 HydrophobicContact CG1-CG2 3.44Å; V265-V267 VanDerWaalsContact CG1-CG2 3.44Å; V267-L296 HydrophobicContact CG1-CB 4.46Å; V267-E298 HydrophobicContact CG2-CG 4.33Å; V267-T335 HydrophobicContact CG1-CG2 3.73Å; V267-T335 HydrophobicContact CG2-CG2 4.34Å
268P72.1Confident90.5Very high101 Ų10144.8 Ų44.866%0.65626%0.256SS*.  trans-73.4152-177.930.4-35.6000112.2G270P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.23Å
269S78.4Confident90.5Very high37 Ų3746.6 Ų46.626%0.25927%0.27SS..SBendtrans-70.567.1179.6-53.70000113.7D189 R190 E298D189-S269 VanDerWaalsContact CG-OG 3.27Å; D189-S269 PolarHBondContact OD1-OG 3.13Å; D189-S269 WeakPolarHBondContact OD2-CB 3.25Å; D189-S269 PolarHBondContact OD2-N 2.66Å; D189-S269 PolarHBondContact OD2-OG 3.07Å; R190-S269 PolarHBondContact NH1-OG 3.11Å; S269-E298 WeakPolarHBondContact CA-OE1 3.2Å
270G85.3Confident90.5Very high19 Ų1945.3 Ų45.320%0.19627%0.271CS..SBendtrans-140.3-170.1-170.800000115.9P268 N361 R363P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.23Å; G270-N361 PolarHBondContact O-ND2 3.11Å; G270-R363 VanDerWaalsContact C-CB 3.47Å; G270-R363 WeakPolarHBondContact O-CB 3.45Å
271P88.8Confident90.3Very high74 Ų7449.4 Ų49.448%0.48129%0.294SS..SBendtrans-55.6153.6170.9-22.733.7000111.6S273P271-S273 PolarHBondContact O-N 2.93Å
272P90.9Very high90.3Very high3 Ų351 Ų512%0.01930%0.3CS..  trans-61.2136-171-22.133.8000112.9T274 V295 A359 N361 T366P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 PolarHBondContact O-OG1 3.27Å; P272-V295 HydrophobicContact CB-CG1 3.63Å; P272-A359 HydrophobicContact CB-CB 4.05Å; P272-A359 HydrophobicContact CG-CB 4.27Å; P272-N361 HydrophobicContact CG-CB 3.96Å; P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 2.96Å
273S92Very high90.3Very high73 Ų7351.3 Ų51.351%0.5130%0.301SS..EExtended strand (participates in β ladder)trans-8599.3175.6-175.70000109.3P271 V295 L296P271-S273 PolarHBondContact O-N 2.93Å; S273-V295 WeakPolarHBondContact O-CA 3.37Å; S273-L296 PolarHBondContact N-O 3.13Å; S273-L296 PolarHBondContact O-N 2.92Å
274T95.1Very high90.4Very high16 Ų1653.9 Ų53.910%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-110.4139.5-165.6-460000112.6P272 C293 T294 V295 A359 V368P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 PolarHBondContact O-OG1 3.27Å; T274-C293 WeakPolarHBondContact CG2-SG 3.48Å; T274-T294 CarbonylContact C-O 3.6Å; T274-T294 WeakPolarHBondContact CA-O 3.4Å; T274-V295 HydrophobicContact CG2-CG2 3.79Å; T274-A359 HydrophobicContact CG2-CB 4.21Å; T274-V368 HydrophobicContact CG2-CG1 4.25Å; T274-V368 HydrophobicContact CG2-CG2 3.61Å
275T97Very high90.6Very high85 Ų8554.8 Ų54.852%0.52133%0.334SS..EExtended strand (participates in β ladder)trans-128161.3167.2610000110.7C293 T294T275-C293 WeakPolarHBondContact O-CA 3.28Å; T275-T294 PolarHBondContact N-O 2.83Å; T275-T294 PolarHBondContact O-N 3.3Å
276I98.2Very high90.8Very high36 Ų3656.8 Ų56.819%0.18535%0.354CS..EExtended strand (participates in β ladder)trans-137.6143.5178.8-171.4166.6000110.2V291 L292 W307 Y355 C357 V368 T370I276-V291 HydrophobicContact CD1-CG1 3.8Å; I276-V291 HydrophobicContact CG1-CG1 3.65Å; I276-L292 CarbonylContact C-O 3.54Å; I276-L292 WeakPolarHBondContact CA-O 3.4Å; I276-W307 HydrophobicContact CD1-CH2 4.18Å; I276-W307 HydrophobicContact CD1-CZ3 3.9Å; I276-Y355 WeakPolarHBondContact CD1-O 3.43Å; I276-C357 HydrophobicContact CD1-CB 4.14Å; I276-V368 HydrophobicContact CB-CB 4.3Å; I276-V368 HydrophobicContact CB-CG2 3.69Å; I276-V368 HydrophobicContact CD1-CG2 4.44Å; I276-V368 HydrophobicContact CG2-CB 3.85Å; I276-V368 HydrophobicContact CG2-CG2 3.82Å; I276-T370 HydrophobicContact CD1-CG2 3.97Å; I276-T370 HydrophobicContact CG1-CG2 4.01Å
277L98Very high91.7Very high116 Ų11655.2 Ų55.261%0.60735%0.349SS*.EExtended strand (participates in β ladder)trans-149.3127.1-179.6179.263.3000109.9V291 L292L277-V291 CarbonylContact O-C 3.57Å; L277-V291 WeakPolarHBondContact O-CA 3.36Å; L277-L292 PolarHBondContact N-O 2.86Å; L277-L292 PolarHBondContact O-N 2.91Å
278A97.3Very high92.6Very high7 Ų759.8 Ų59.86%0.05837%0.373CS..EExtended strand (participates in β ladder)trans-87.6150.7168.400000110.6S280 I289 S290 V291 T370 V372A278-S280 VanDerWaalsContact CB-O 3.31Å; A278-S280 WeakPolarHBondContact CB-O 3.09Å; A278-S280 PolarHBondContact O-N 3.22Å; A278-I289 HydrophobicContact CB-CD1 4.33Å; A278-S290 CarbonylContact C-O 3.56Å; A278-S290 WeakPolarHBondContact CA-O 3.33Å; A278-V291 HydrophobicContact CB-CG2 4.04Å; A278-T370 HydrophobicContact CB-CG2 4.17Å; A278-V372 HydrophobicContact CB-CG2 3.94Å
279S97Very high93.8Very high77 Ų7755.1 Ų55.154%0.53834%0.342SS..SBendtrans-68.6-23.8174.456.70000112.7I289 S290S279-I289 WeakPolarHBondContact OG-CD1 3.43Å; S279-S290 WeakPolarHBondContact CB-OG 3.3Å; S279-S290 PolarHBondContact N-O 3.36Å; S279-S290 PolarHBondContact OG-N 3.3Å; S279-S290 VanDerWaalsContact OG-N 3.15Å; S279-S290 PolarHBondContact OG-O 2.82Å; S279-S290 PolarHBondContact OG-OG 2.89Å
280S95.1Very high94.7Very high51 Ų5155.2 Ų55.236%0.35734%0.343SS..  trans-149.2153.6159.4-174.20000110.4A278 K282 I289A278-S280 VanDerWaalsContact CB-O 3.31Å; A278-S280 WeakPolarHBondContact CB-O 3.09Å; A278-S280 PolarHBondContact O-N 3.22Å; S280-K282 WeakPolarHBondContact CB-O 3.44Å; S280-K282 PolarHBondContact OG-N 2.78Å; S280-K282 VanDerWaalsContact OG-N 3.12Å; S280-K282 PolarHBondContact OG-O 3.35Å; S280-I289 WeakPolarHBondContact O-CD1 3.13Å
281N93.7Very high95.3Very high97 Ų9754.4 Ų54.452%0.51933%0.334SS..SBendtrans-90.5-8.9169.6-65.7-3.4000112.4E373N281-E373 PolarHBondContact O-N 3.04Å
282K94.9Very high95.8Very high98 Ų9853.3 Ų53.343%0.42632%0.324SS..EExtended strand (participates in β ladder)trans-134.8127.2174.4-76.7-171.5171-75.70110.3S280 E373S280-K282 WeakPolarHBondContact CB-O 3.44Å; S280-K282 PolarHBondContact OG-N 2.78Å; S280-K282 VanDerWaalsContact OG-N 3.12Å; S280-K282 PolarHBondContact OG-O 3.35Å; K282-E373 WeakPolarHBondContact CA-O 3.28Å; K282-E373 VanDerWaalsContact CE-OE2 3.22Å; K282-E373 WeakPolarHBondContact CE-OE2 3.31Å; K282-E373 HydrophobicContact CG-CB 4.25Å; K282-E373 IonicContact NZ-OE2 3.84Å; K282-E373 PolarHBondContact NZ-OE2 3.24Å
283V94.9Very high96.1Very high5 Ų553.1 Ų53.13%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-133.7139.3-170.1-174.90000108.7D287 I289 F347 V372 E373 S375V283-D287 HydrophobicContact CG1-CB 3.65Å; V283-I289 HydrophobicContact CG2-CB 4.24Å; V283-I289 HydrophobicContact CG2-CD1 3.82Å; V283-I289 HydrophobicContact CG2-CG1 4.16Å; V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.75Å; V283-F347 HydrophobicContact CB-CG 4.13Å; V283-F347 HydrophobicContact CB-CZ 4.21Å; V283-F347 HydrophobicContact CG1-CB 3.76Å; V283-F347 HydrophobicContact CG1-CD1 3.54Å; V283-F347 HydrophobicContact CG1-CD2 4.27Å; V283-F347 HydrophobicContact CG1-CE1 4.13Å; V283-F347 HydrophobicContact CG1-CG 3.61Å; V283-V372 HydrophobicContact CB-CG1 4.36Å; V283-V372 HydrophobicContact CG2-CG1 3.55Å; V283-E373 PolarHBondContact N-O 2.74Å; V283-E373 VanDerWaalsContact N-O 3.07Å; V283-S375 PolarHBondContact O-N 3.28Å
284N95.2Very high96.4Very high87 Ų8750.6 Ų50.647%0.46531%0.305SS..  trans-84161.5175.3-50.5-81.6000110.1G286 D287N284-G286 PolarHBondContact O-N 3.31Å; N284-D287 VanDerWaalsContact CB-OD2 3.26Å; N284-D287 WeakPolarHBondContact CB-OD2 3.25Å; N284-D287 PolarHBondContact N-OD2 2.81Å; N284-D287 PolarHBondContact ND2-OD2 2.8Å; N284-D287 PolarHBondContact O-N 2.64Å
285G95.2Very high96.4Very high49 Ų4949.9 Ų49.951%0.50530%0.3SS..THydrogen-bonded Turntrans-60.7123.9171.600000111F347 F374G285-F347 WeakPolarHBondContact CA-O 3.31Å; G285-F374 VanDerWaalsContact N-CZ 3.28Å
286G93.8Very high96.1Very high41 Ų4147.3 Ų47.342%0.42328%0.283SS..THydrogen-bonded Turntrans85.35.1-179.200000116.6N284 D346 F347N284-G286 PolarHBondContact O-N 3.31Å; G286-D346 VanDerWaalsContact CA-OD1 3.31Å; G286-D346 WeakPolarHBondContact CA-OD1 3.35Å; G286-F347 PolarHBondContact N-O 3.42Å; G286-F347 VanDerWaalsContact N-O 3.08Å
287D96Very high95.6Very high74 Ų7446 Ų4640%0.39628%0.279SS..  trans-80.9157164-75.2-31000110.6V283 N284 F347V283-D287 HydrophobicContact CG1-CB 3.65Å; N284-D287 VanDerWaalsContact CB-OD2 3.26Å; N284-D287 WeakPolarHBondContact CB-OD2 3.25Å; N284-D287 PolarHBondContact N-OD2 2.81Å; N284-D287 PolarHBondContact ND2-OD2 2.8Å; N284-D287 PolarHBondContact O-N 2.64Å; D287-F347 WeakPolarHBondContact O-CB 3.49Å; D287-F347 PolarHBondContact O-N 2.65Å
288D96.2Very high95.1Very high109 Ų10941.1 Ų41.158%0.58325%0.253SS*.  trans-89.3140.5172.6-60.1-30.3000111.7E345 D346D288-E345 VanDerWaalsContact OD1-CA 3.28Å; D288-E345 WeakPolarHBondContact OD1-CA 3.31Å; D288-D346 PolarHBondContact OD1-N 2.88Å
289I96.7Very high94.7Very high3 Ų341 Ų412%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-123.5138.7176.9-17659.4000111.1A278 S279 S280 V283 T343 I344 F347 V372A278-I289 HydrophobicContact CB-CD1 4.33Å; S279-I289 WeakPolarHBondContact OG-CD1 3.43Å; S280-I289 WeakPolarHBondContact O-CD1 3.13Å; V283-I289 HydrophobicContact CG2-CB 4.24Å; V283-I289 HydrophobicContact CG2-CD1 3.82Å; V283-I289 HydrophobicContact CG2-CG1 4.16Å; I289-T343 WeakPolarHBondContact O-CA 3.46Å; I289-I344 HydrophobicContact CG2-CB 3.7Å; I289-I344 HydrophobicContact CG2-CG2 4.09Å; I289-I344 PolarHBondContact N-O 3.09Å; I289-I344 PolarHBondContact O-N 3.09Å; I289-F347 HydrophobicContact CB-CD2 4.38Å; I289-F347 HydrophobicContact CG2-CD2 3.57Å; I289-F347 HydrophobicContact CG2-CE2 4.11Å; I289-F347 HydrophobicContact CG2-CG 4.46Å; I289-V372 HydrophobicContact CD1-CG1 4.39Å; I289-V372 HydrophobicContact CD1-CG2 4.43Å; I289-V372 HydrophobicContact CG1-CG1 4.22Å; I289-V372 HydrophobicContact CG1-CG2 4.27Å
290S97.8Very high94.2Very high40 Ų4043 Ų4328%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-125.9141.8169.658.20000110.8A278 S279 I342A278-S290 CarbonylContact C-O 3.56Å; A278-S290 WeakPolarHBondContact CA-O 3.33Å; S279-S290 WeakPolarHBondContact CB-OG 3.3Å; S279-S290 PolarHBondContact N-O 3.36Å; S279-S290 PolarHBondContact OG-N 3.3Å; S279-S290 VanDerWaalsContact OG-N 3.15Å; S279-S290 PolarHBondContact OG-O 2.82Å; S279-S290 PolarHBondContact OG-OG 2.89Å; S290-I342 CarbonylContact C-O 3.56Å; S290-I342 WeakPolarHBondContact CA-O 3.37Å
291V98.2Very high93.9Very high1 Ų141.8 Ų41.81%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-123.3112.6175.2-170.50000109I276 L277 A278 W307 I342 Y355 T370 V372I276-V291 HydrophobicContact CD1-CG1 3.8Å; I276-V291 HydrophobicContact CG1-CG1 3.65Å; L277-V291 CarbonylContact O-C 3.57Å; L277-V291 WeakPolarHBondContact O-CA 3.36Å; A278-V291 HydrophobicContact CB-CG2 4.04Å; V291-W307 HydrophobicContact CB-CH2 4.2Å; V291-W307 HydrophobicContact CB-CZ3 4.36Å; V291-W307 HydrophobicContact CG1-CH2 3.94Å; V291-W307 HydrophobicContact CG1-CZ3 4.04Å; V291-W307 WeakPolarHBondContact O-CH2 3.4Å; V291-I342 HydrophobicContact CB-CG2 3.81Å; V291-I342 HydrophobicContact CG2-CG2 4.49Å; V291-I342 PolarHBondContact N-O 3.16Å; V291-I342 PolarHBondContact O-N 3.01Å; V291-Y355 HydrophobicContact CB-CD1 4.38Å; V291-Y355 HydrophobicContact CG2-CD1 3.74Å; V291-Y355 HydrophobicContact CG2-CE1 4.27Å; V291-Y355 HydrophobicContact CG2-CG 3.9Å; V291-T370 HydrophobicContact CG1-CG2 3.67Å; V291-V372 HydrophobicContact CG2-CG2 4.42Å
292L98.4Very high93.8Very high51 Ų5144.1 Ų44.127%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-91.3115.8-179.7169.462000109.9I276 L277 T294 Q339 V341I276-L292 CarbonylContact C-O 3.54Å; I276-L292 WeakPolarHBondContact CA-O 3.4Å; L277-L292 PolarHBondContact N-O 2.86Å; L277-L292 PolarHBondContact O-N 2.91Å; L292-T294 WeakPolarHBondContact CG-OG1 3.08Å; L292-Q339 HydrophobicContact CD1-CB 3.99Å; L292-Q339 HydrophobicContact CD1-CG 4.49Å; L292-V341 HydrophobicContact CB-CG2 4.4Å; L292-V341 HydrophobicContact CD1-CG2 3.65Å
293C98.2Very high93.8Very high0 Ų040.1 Ų40.10%024%0.238CC..EExtended strand (participates in β ladder)trans-92128.3162.1-168.80000109.4T274 T275 F305 W307 Q339 S340 C357T274-C293 WeakPolarHBondContact CG2-SG 3.48Å; T275-C293 WeakPolarHBondContact O-CA 3.28Å; C293-F305 HydrophobicContact CB-CE1 4.34Å; C293-W307 HydrophobicContact CB-CH2 3.69Å; C293-W307 HydrophobicContact CB-CZ2 3.51Å; C293-Q339 CarbonylContact O-C 3.6Å; C293-Q339 WeakPolarHBondContact O-CA 3.22Å; C293-S340 PolarHBondContact N-O 2.8Å; C293-S340 PolarHBondContact O-N 2.88Å; C293-C357 HydrophobicContact CB-CB 3.57Å; C293-C357 WeakPolarHBondContact CB-SG 3.13Å; C293-C357 WeakPolarHBondContact SG-CB 3.43Å; C293-C357 CovalentContact SG-SG 2.03Å; C293-C357 PolarHBondContact SG-SG 3.13Å
294T97.1Very high93.9Very high20 Ų2044.3 Ų44.312%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-125132.4-179.4-69.10000110.2T274 T275 L292 I337 Q339T274-T294 CarbonylContact C-O 3.6Å; T274-T294 WeakPolarHBondContact CA-O 3.4Å; T275-T294 PolarHBondContact N-O 2.83Å; T275-T294 PolarHBondContact O-N 3.3Å; L292-T294 WeakPolarHBondContact CG-OG1 3.08Å; T294-I337 HydrophobicContact CG2-CD1 3.79Å; T294-I337 HydrophobicContact CG2-CG1 3.88Å; T294-Q339 HydrophobicContact CG2-CG 4.23Å; T294-Q339 PolarHBondContact OG1-NE2 3.29Å
295V95.1Very high94Very high1 Ų141.1 Ų41.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-123.8136.8-176.2172.80000110.2P272 S273 T274 V303 F305 I337 S338 A359P272-V295 HydrophobicContact CB-CG1 3.63Å; S273-V295 WeakPolarHBondContact O-CA 3.37Å; T274-V295 HydrophobicContact CG2-CG2 3.79Å; V295-V303 HydrophobicContact CB-CG1 4.5Å; V295-V303 HydrophobicContact CG1-CG1 4.12Å; V295-V303 HydrophobicContact CG1-CG2 3.91Å; V295-V303 HydrophobicContact CG2-CG1 4.26Å; V295-F305 HydrophobicContact CB-CE1 4.41Å; V295-F305 HydrophobicContact CB-CZ 4.14Å; V295-F305 HydrophobicContact CG2-CE1 3.49Å; V295-F305 VanDerWaalsContact CG2-CE1 3.49Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V295-I337 WeakPolarHBondContact O-CA 3.36Å; V295-S338 PolarHBondContact N-O 2.88Å; V295-S338 PolarHBondContact O-N 3.1Å; V295-A359 HydrophobicContact CG2-CB 3.52Å
296L91.4Very high94.1Very high30 Ų3044.4 Ų44.416%0.15724%0.237CC..EExtended strand (participates in β ladder)trans-112.1123.6173.5-58.2165000108.2V267 S273 R329 T335 I337V267-L296 HydrophobicContact CG1-CB 4.46Å; S273-L296 PolarHBondContact N-O 3.13Å; S273-L296 PolarHBondContact O-N 2.92Å; L296-R329 VanDerWaalsContact CD2-NH2 3.32Å; L296-T335 HydrophobicContact CB-CG2 4.48Å; L296-T335 HydrophobicContact CD2-CG2 4.4Å; L296-I337 HydrophobicContact CD2-CB 4.36Å; L296-I337 HydrophobicContact CD2-CG1 4.17Å
297G87.7Confident94.3Very high10 Ų1043.3 Ų43.310%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-154.7174.4-173.600000113.1R336G297-R336 PolarHBondContact N-O 2.97Å; G297-R336 WeakPolarHBondContact O-CA 3.45Å; G297-R336 VanDerWaalsContact O-CB 3.28Å; G297-R336 WeakPolarHBondContact O-CB 3.46Å; G297-R336 PolarHBondContact O-N 2.66Å
298E87.9Confident94.4Very high13 Ų1344.1 Ų44.16%0.06122%0.223CC..  trans-64.7146.9-179.8-53.4178.3-134.600111R190 V267 S269 D300 V301 R336R190-E298 IonicContact CZ-OE2 3.23Å; R190-E298 VanDerWaalsContact NH1-CD 3.28Å; R190-E298 IonicContact NH1-OE1 2.83Å; R190-E298 PolarHBondContact NH1-OE1 2.81Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 2.88Å; R190-E298 IonicContact NH2-OE2 2.88Å; R190-E298 PolarHBondContact NH2-OE2 2.85Å; V267-E298 HydrophobicContact CG2-CG 4.33Å; S269-E298 WeakPolarHBondContact CA-OE1 3.2Å; E298-D300 VanDerWaalsContact C-N 3.33Å; E298-D300 PolarHBondContact O-N 2.73Å; E298-V301 HydrophobicContact CB-CB 4Å; E298-V301 HydrophobicContact CB-CG2 3.75Å; E298-V301 HydrophobicContact CG-CG2 4.17Å; E298-V301 PolarHBondContact O-N 2.85Å; E298-V301 VanDerWaalsContact O-N 3.13Å; E298-R336 WeakPolarHBondContact O-CB 3.34Å
299P87.8Confident94.4Very high5 Ų539.8 Ų39.83%0.03220%0.199CC..THydrogen-bonded Turntrans-45.8-49.7179.8-34.240.3000115.2Y185 V265 L326 T334 R336Y185-P299 HydrophobicContact CD1-CB 4.12Å; Y185-P299 HydrophobicContact CD1-CG 3.79Å; Y185-P299 HydrophobicContact CE1-CB 3.47Å; Y185-P299 VanDerWaalsContact CE1-CB 3.47Å; Y185-P299 HydrophobicContact CE1-CG 3.48Å; Y185-P299 VanDerWaalsContact CE1-CG 3.48Å; Y185-P299 HydrophobicContact CE2-CB 4.06Å; Y185-P299 WeakPolarHBondContact OH-CB 3.4Å; V265-P299 HydrophobicContact CG2-CG 4Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.29Å; P299-T334 HydrophobicContact CG-CG2 4.09Å; P299-R336 PolarHBondContact O-NH1 3.06Å
300D86.6Confident94.3Very high119 Ų11941.7 Ų41.764%0.63621%0.212SC*.THydrogen-bonded Turntrans-921.6-174-56.7-20.2000113.6Y185 E298Y185-D300 VanDerWaalsContact CD2-OD2 3.3Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.36Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.38Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.26Å; Y185-D300 PolarHBondContact OH-OD1 2.92Å; E298-D300 VanDerWaalsContact C-N 3.33Å; E298-D300 PolarHBondContact O-N 2.73Å
301V89.3Confident94Very high24 Ų2439.8 Ų39.815%0.14520%0.198CC..  trans-97.7110.6-179.7175.40000109.7E298 R336 N361E298-V301 HydrophobicContact CB-CB 4Å; E298-V301 HydrophobicContact CB-CG2 3.75Å; E298-V301 HydrophobicContact CG-CG2 4.17Å; E298-V301 PolarHBondContact O-N 2.85Å; E298-V301 VanDerWaalsContact O-N 3.13Å; V301-R336 VanDerWaalsContact O-CD 3.26Å; V301-R336 WeakPolarHBondContact O-CD 3.35Å; V301-N361 HydrophobicContact CG1-CB 3.79Å
302E91.6Very high93.7Very high146 Ų14643.9 Ų43.968%0.68222%0.217SC*.  trans-69.9155.1172.8-170.3152.3-119.400112N361E302-N361 WeakPolarHBondContact O-CB 3.34Å
303V94.5Very high93.4Very high14 Ų1450.8 Ų50.89%0.08525%0.245CC..  trans-132.8122.6-176.3178.60000108.3V295 F305 A359 Q360V295-V303 HydrophobicContact CB-CG1 4.5Å; V295-V303 HydrophobicContact CG1-CG1 4.12Å; V295-V303 HydrophobicContact CG1-CG2 3.91Å; V295-V303 HydrophobicContact CG2-CG1 4.26Å; V303-F305 HydrophobicContact CG1-CE1 4.49Å; V303-F305 HydrophobicContact CG1-CE2 4.18Å; V303-F305 HydrophobicContact CG1-CZ 4.16Å; V303-A359 HydrophobicContact CG1-CB 3.86Å; V303-Q360 CarbonylContact C-O 3.6Å; V303-Q360 WeakPolarHBondContact CA-O 3.3Å
304E96.7Very high93Very high93 Ų9356.4 Ų56.444%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-88.7134.3170.9-170.5-166.6157.300109.4R306 A359 Q360E304-R306 IonicContact OE1-CZ 2.68Å; E304-R306 IonicContact OE1-NE 3.31Å; E304-R306 PolarHBondContact OE1-NE 2.88Å; E304-R306 IonicContact OE1-NH2 3.5Å; E304-R306 PolarHBondContact OE1-NH2 2.81Å; E304-R306 IonicContact OE2-CZ 3.31Å; E304-R306 IonicContact OE2-NH2 2.82Å; E304-R306 PolarHBondContact OE2-NH2 2.86Å; E304-A359 CarbonylContact O-C 3.58Å; E304-A359 WeakPolarHBondContact O-CA 3.32Å; E304-Q360 HydrophobicContact CB-CB 4.49Å; E304-Q360 PolarHBondContact N-O 3Å; E304-Q360 PolarHBondContact O-N 3.22Å
305F97.8Very high92.8Very high21 Ų2163.9 Ų63.99%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-105.6141.5174.9-68.9-85.1000111.7C293 V295 V303 D322 S340 A359C293-F305 HydrophobicContact CB-CE1 4.34Å; V295-F305 HydrophobicContact CB-CE1 4.41Å; V295-F305 HydrophobicContact CB-CZ 4.14Å; V295-F305 HydrophobicContact CG2-CE1 3.49Å; V295-F305 VanDerWaalsContact CG2-CE1 3.49Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V303-F305 HydrophobicContact CG1-CE1 4.49Å; V303-F305 HydrophobicContact CG1-CE2 4.18Å; V303-F305 HydrophobicContact CG1-CZ 4.16Å; F305-D322 WeakPolarHBondContact CD2-OD2 3.17Å; F305-S340 VanDerWaalsContact CD1-CB 3.49Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; F305-A359 HydrophobicContact CD1-CB 4.29Å; F305-A359 HydrophobicContact CE1-CB 4.23Å
306R97.6Very high92.7Very high118 Ų11865.7 Ų65.745%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-137134.9171.2-59.8-172.6-169.5129.310110.2E304 T358 Q360E304-R306 IonicContact OE1-CZ 2.68Å; E304-R306 IonicContact OE1-NE 3.31Å; E304-R306 PolarHBondContact OE1-NE 2.88Å; E304-R306 IonicContact OE1-NH2 3.5Å; E304-R306 PolarHBondContact OE1-NH2 2.81Å; E304-R306 IonicContact OE2-CZ 3.31Å; E304-R306 IonicContact OE2-NH2 2.82Å; E304-R306 PolarHBondContact OE2-NH2 2.86Å; R306-T358 PolarHBondContact N-O 3Å; R306-T358 PolarHBondContact O-N 2.89Å; R306-Q360 VanDerWaalsContact CZ-OE1 3.32Å; R306-Q360 VanDerWaalsContact NH2-OE1 3.08Å
307W97.8Very high92.8Very high17 Ų1769 Ų696%0.06434%0.339CS..EExtended strand (participates in β ladder)trans-112.1142.5-178-73.598.3000112.5I276 V291 C293 Q312 I320 S340 I342 I356 C357I276-W307 HydrophobicContact CD1-CH2 4.18Å; I276-W307 HydrophobicContact CD1-CZ3 3.9Å; V291-W307 HydrophobicContact CB-CH2 4.2Å; V291-W307 HydrophobicContact CB-CZ3 4.36Å; V291-W307 HydrophobicContact CG1-CH2 3.94Å; V291-W307 HydrophobicContact CG1-CZ3 4.04Å; V291-W307 WeakPolarHBondContact O-CH2 3.4Å; C293-W307 HydrophobicContact CB-CH2 3.69Å; C293-W307 HydrophobicContact CB-CZ2 3.51Å; W307-Q312 PolarHBondContact O-NE2 3.32Å; W307-I320 HydrophobicContact CB-CD1 4.44Å; W307-I320 HydrophobicContact CG-CD1 4.45Å; W307-S340 PolarHBondContact NE1-OG 2.97Å; W307-I342 HydrophobicContact CB-CD1 4.33Å; W307-I342 HydrophobicContact CD2-CB 4.12Å; W307-I342 HydrophobicContact CD2-CG2 3.85Å; W307-I342 HydrophobicContact CE3-CB 4.46Å; W307-I342 HydrophobicContact CE3-CG2 3.71Å; W307-I342 HydrophobicContact CG-CB 4.48Å; W307-I342 HydrophobicContact CG-CD1 4.39Å; W307-I342 HydrophobicContact CH2-CG2 3.67Å; W307-I342 HydrophobicContact CZ2-CB 4.27Å; W307-I342 HydrophobicContact CZ2-CG2 3.82Å; W307-I342 HydrophobicContact CZ3-CG2 3.61Å; W307-I356 WeakPolarHBondContact CA-O 3.22Å; W307-C357 HydrophobicContact CD2-CB 4.38Å; W307-C357 HydrophobicContact CE3-CB 4.05Å; W307-C357 HydrophobicContact CH2-CB 3.91Å; W307-C357 HydrophobicContact CZ2-CB 4.21Å; W307-C357 HydrophobicContact CZ3-CB 3.81Å
308I97.5Very high93.2Very high92 Ų9270.7 Ų70.747%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-125.1131.5163.1-54.8172.4000106.9I356I308-I356 HydrophobicContact CB-CB 4.22Å; I308-I356 PolarHBondContact N-O 3.07Å; I308-I356 PolarHBondContact O-N 3.18Å
309F96.5Very high93.6Very high17 Ų1772.1 Ų72.18%0.07536%0.361CS..  trans-145.2161.4-176.258.9-86.4000110.3Q312 R316 V318 I342 Y355F309-Q312 HydrophobicContact CD1-CB 4.08Å; F309-Q312 HydrophobicContact CD1-CG 4.26Å; F309-Q312 HydrophobicContact CD2-CB 3.98Å; F309-Q312 HydrophobicContact CE1-CB 3.9Å; F309-Q312 HydrophobicContact CE1-CG 3.77Å; F309-Q312 HydrophobicContact CE2-CB 3.79Å; F309-Q312 HydrophobicContact CE2-CG 4.41Å; F309-Q312 HydrophobicContact CG-CB 4.12Å; F309-Q312 HydrophobicContact CZ-CB 3.75Å; F309-Q312 HydrophobicContact CZ-CG 3.85Å; F309-Q312 WeakPolarHBondContact O-CB 3.27Å; F309-Q312 PolarHBondContact O-N 2.93Å; F309-R316 HydrophobicContact CE2-CB 4.29Å; F309-V318 HydrophobicContact CD2-CG1 4.1Å; F309-V318 HydrophobicContact CE1-CG1 4.38Å; F309-V318 HydrophobicContact CE1-CG2 4.06Å; F309-V318 HydrophobicContact CE2-CG1 3.49Å; F309-V318 VanDerWaalsContact CE2-CG1 3.49Å; F309-V318 HydrophobicContact CE2-CG2 4.45Å; F309-V318 HydrophobicContact CZ-CB 4.4Å; F309-V318 HydrophobicContact CZ-CG1 3.66Å; F309-V318 HydrophobicContact CZ-CG2 3.76Å; F309-I342 HydrophobicContact CB-CD1 4.34Å; F309-I342 HydrophobicContact CD1-CD1 3.55Å; F309-I342 HydrophobicContact CE1-CD1 3.93Å; F309-I342 HydrophobicContact CG-CD1 3.95Å; F309-Y355 HydrophobicContact CB-CD1 3.98Å; F309-Y355 HydrophobicContact CB-CE1 3.93Å
310P94.9Very high94.1Very high43 Ų4375.9 Ų75.928%0.27938%0.38SS..G310 helixtrans-58.8-56.6-166.3-29.940.2000114.8Q312 I350 Y355P310-Q312 PolarHBondContact O-N 3.01Å; P310-Q312 VanDerWaalsContact O-N 3.09Å; P310-I350 VanDerWaalsContact CB-O 3.28Å; P310-I350 WeakPolarHBondContact CB-O 3.1Å; P310-Y355 HydrophobicContact CG-CE2 4.14Å
311G91.1Very high94.6Very high0 Ų076.7 Ų76.70%038%0.38CS..G310 helixtrans-73.210-18000000116.4K313 D314 R316 I350G311-K313 PolarHBondContact O-N 2.75Å; G311-K313 VanDerWaalsContact O-N 3.16Å; G311-D314 PolarHBondContact O-N 2.93Å; G311-D314 VanDerWaalsContact O-N 3.08Å; G311-R316 VanDerWaalsContact O-CB 3.25Å; G311-R316 WeakPolarHBondContact O-CB 3.41Å; G311-R316 PolarHBondContact O-N 2.86Å; G311-I350 PolarHBondContact N-O 2.82Å
312Q92.3Very high95Very high87 Ų8779.7 Ų79.741%0.40740%0.396SS..G310 helixtrans-63.4-22.8-173.8-172.6174.938.900114W307 F309 P310W307-Q312 PolarHBondContact O-NE2 3.32Å; F309-Q312 HydrophobicContact CD1-CB 4.08Å; F309-Q312 HydrophobicContact CD1-CG 4.26Å; F309-Q312 HydrophobicContact CD2-CB 3.98Å; F309-Q312 HydrophobicContact CE1-CB 3.9Å; F309-Q312 HydrophobicContact CE1-CG 3.77Å; F309-Q312 HydrophobicContact CE2-CB 3.79Å; F309-Q312 HydrophobicContact CE2-CG 4.41Å; F309-Q312 HydrophobicContact CG-CB 4.12Å; F309-Q312 HydrophobicContact CZ-CB 3.75Å; F309-Q312 HydrophobicContact CZ-CG 3.85Å; F309-Q312 WeakPolarHBondContact O-CB 3.27Å; F309-Q312 PolarHBondContact O-N 2.93Å; P310-Q312 PolarHBondContact O-N 3.01Å; P310-Q312 VanDerWaalsContact O-N 3.09Å
313K91.2Very high95.2Very high196 Ų19676.5 Ų76.585%0.85239%0.386SS*.G310 helixtrans-81.4-23.4176.4-72.7179.1179.3172.60113.5G311 E315G311-K313 PolarHBondContact O-N 2.75Å; G311-K313 VanDerWaalsContact O-N 3.16Å; K313-E315 VanDerWaalsContact C-N 3.27Å
314D91.3Very high95.2Very high118 Ų11882.7 Ų82.763%0.63141%0.408SS*.THydrogen-bonded Turntrans-97.817-174.6-50.6-85.9000110.6G311 R316G311-D314 PolarHBondContact O-N 2.93Å; G311-D314 VanDerWaalsContact O-N 3.08Å; D314-R316 PolarHBondContact O-N 2.9Å; D314-R316 VanDerWaalsContact O-N 3.13Å
315E91.3Very high94.9Very high178 Ų17884.9 Ų84.983%0.83241%0.412SS*.THydrogen-bonded Turntrans53.726.9-178.8-58-170.3165.300114.3K313 P317K313-E315 VanDerWaalsContact C-N 3.27Å; E315-P317 WeakPolarHBondContact O-CD 3.4Å
316R93.3Very high94.5Very high38 Ų3887.3 Ų87.314%0.14343%0.426CS..  trans-47.1119.6177.9175.559.8163.3125.6-26.2111.5F309 G311 D314 V318 I344 E345 D346 D351F309-R316 HydrophobicContact CE2-CB 4.29Å; G311-R316 VanDerWaalsContact O-CB 3.25Å; G311-R316 WeakPolarHBondContact O-CB 3.41Å; G311-R316 PolarHBondContact O-N 2.86Å; D314-R316 PolarHBondContact O-N 2.9Å; D314-R316 VanDerWaalsContact O-N 3.13Å; R316-V318 HydrophobicContact CG-CG1 4.47Å; R316-V318 PolarHBondContact O-N 2.88Å; R316-I344 VanDerWaalsContact NH2-CG2 3.3Å; R316-E345 PolarHBondContact NH1-O 3.34Å; R316-E345 PolarHBondContact NH2-O 2.67Å; R316-D346 PolarHBondContact NH2-O 2.85Å; R316-D351 WeakPolarHBondContact CG-OD1 3.47Å; R316-D351 IonicContact CZ-OD1 2.89Å; R316-D351 IonicContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact NE-CG 3.31Å; R316-D351 IonicContact NE-OD1 3Å; R316-D351 PolarHBondContact NE-OD1 2.82Å; R316-D351 IonicContact NE-OD2 3.18Å; R316-D351 PolarHBondContact NE-OD2 2.83Å; R316-D351 IonicContact NH2-OD2 2.72Å; R316-D351 PolarHBondContact NH2-OD2 2.89Å
317P93.8Very high94Very high101 Ų10183.1 Ų83.166%0.65641%0.412SS*.  trans-61.9130.5176.4-26.436.1000112E315E315-P317 WeakPolarHBondContact O-CD 3.4Å
318V96.1Very high93.2Very high44 Ų4487.7 Ų87.727%0.26744%0.438SS..  trans-137.9145176.4-580000110F309 R316 I320 I342 T343 I344F309-V318 HydrophobicContact CD2-CG1 4.1Å; F309-V318 HydrophobicContact CE1-CG1 4.38Å; F309-V318 HydrophobicContact CE1-CG2 4.06Å; F309-V318 HydrophobicContact CE2-CG1 3.49Å; F309-V318 VanDerWaalsContact CE2-CG1 3.49Å; F309-V318 HydrophobicContact CE2-CG2 4.45Å; F309-V318 HydrophobicContact CZ-CB 4.4Å; F309-V318 HydrophobicContact CZ-CG1 3.66Å; F309-V318 HydrophobicContact CZ-CG2 3.76Å; R316-V318 HydrophobicContact CG-CG1 4.47Å; R316-V318 PolarHBondContact O-N 2.88Å; V318-I320 HydrophobicContact CG2-CD1 4.15Å; V318-I320 HydrophobicContact CG2-CG1 4.15Å; V318-I342 HydrophobicContact CB-CD1 4.11Å; V318-I342 HydrophobicContact CB-CG1 3.99Å; V318-I342 HydrophobicContact CG1-CD1 4.18Å; V318-I342 HydrophobicContact CG1-CG1 4.4Å; V318-I342 HydrophobicContact CG2-CD1 4.07Å; V318-I342 HydrophobicContact CG2-CG1 4.29Å; V318-T343 WeakPolarHBondContact CA-O 3.42Å; V318-I344 HydrophobicContact CB-CG1 4.46Å; V318-I344 HydrophobicContact CG1-CD1 4.17Å; V318-I344 HydrophobicContact CG1-CG1 3.64Å
319A96.9Very high92Very high43 Ų4388.2 Ų88.236%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-96.8122168.900000109.3I342 T343A319-I342 CarbonylContact O-C 3.57Å; A319-I342 WeakPolarHBondContact O-CA 3.21Å; A319-T343 PolarHBondContact N-O 2.03Å; A319-T343 PolarHBondContact O-N 3.34Å
320I97.4Very high90.7Very high84 Ų8491.5 Ų91.543%0.43147%0.473SS..EExtended strand (participates in β ladder)trans-112.3128.1174.3-62.2171.8000108.9W307 V318 V341 I342W307-I320 HydrophobicContact CB-CD1 4.44Å; W307-I320 HydrophobicContact CG-CD1 4.45Å; V318-I320 HydrophobicContact CG2-CD1 4.15Å; V318-I320 HydrophobicContact CG2-CG1 4.15Å; I320-V341 CarbonylContact C-O 3.55Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.27Å; I320-I342 HydrophobicContact CD1-CD1 4.29Å; I320-I342 HydrophobicContact CD1-CG1 4.5Å; I320-I342 HydrophobicContact CG1-CB 4.15Å; I320-I342 HydrophobicContact CG1-CD1 4.24Å; I320-I342 HydrophobicContact CG1-CG1 3.9Å
321Q97.6Very high89.3Confident136 Ų13696.3 Ų96.364%0.63650%0.495SS*.EExtended strand (participates in β ladder)trans-129112.9179.7-64.5-172.75.800111.2S340 V341Q321-S340 WeakPolarHBondContact O-CA 3.33Å; Q321-V341 PolarHBondContact N-O 3.08Å; Q321-V341 PolarHBondContact O-N 2.8Å
322D97.4Very high88.1Confident88 Ų8897.5 Ų97.547%0.47151%0.507SS..EExtended strand (participates in β ladder)trans-97.7131.2176.2-74.88.9000110.4F305 Q339 S340F305-D322 WeakPolarHBondContact CD2-OD2 3.17Å; D322-Q339 CarbonylContact C-O 3.57Å; D322-Q339 WeakPolarHBondContact CA-O 3.4Å; D322-S340 WeakPolarHBondContact OD1-CB 3.44Å; D322-S340 PolarHBondContact OD1-OG 3.43Å
323T96.3Very high87.6Confident78 Ų7893.9 Ų93.948%0.47949%0.491SS..EExtended strand (participates in β ladder)trans-139.8158.5-179.3610000110.8S338 Q339T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.47Å; T323-Q339 PolarHBondContact N-O 2.55Å; T323-Q339 PolarHBondContact O-N 2.88Å; T323-Q339 PolarHBondContact OG1-O 3.43Å
324W94.3Very high87.2Confident145 Ų14584.7 Ų84.755%0.54945%0.451SS..EExtended strand (participates in β ladder)trans-149.7158.7170.572-87.1000111.4L326 R336 I337W324-L326 HydrophobicContact CZ3-CD2 4.36Å; W324-L326 HydrophobicContact CZ3-CG 4.28Å; W324-R336 HydrophobicContact CE3-CG 4.32Å; W324-R336 VanDerWaalsContact CG-NH2 3.34Å; W324-I337 CarbonylContact C-O 3.58Å; W324-I337 VanDerWaalsContact CA-O 3.27Å; W324-I337 WeakPolarHBondContact CA-O 3.46Å
325R91.6Very high87.1Confident138 Ų13879 Ų7952%0.52142%0.42SS..EExtended strand (participates in β ladder)trans-156.2159.1170.358.5-171.7174.3113.21.2110.5I327 I337R325-I327 HydrophobicContact CG-CG2 4.29Å; R325-I327 VanDerWaalsContact NH1-CG2 3.35Å; R325-I337 HydrophobicContact CG-CG2 3.42Å; R325-I337 VanDerWaalsContact CG-CG2 3.42Å; R325-I337 PolarHBondContact N-O 2.79Å; R325-I337 PolarHBondContact O-N 2.97Å
326L88.9Confident87Confident73 Ų7371.4 Ų71.438%0.38238%0.384SS..EExtended strand (participates in β ladder)trans-79.5140.5162.6-59.4-175.8000109.5P299 W324 T334 R336P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.29Å; W324-L326 HydrophobicContact CZ3-CD2 4.36Å; W324-L326 HydrophobicContact CZ3-CG 4.28Å; L326-T334 HydrophobicContact CB-CG2 4.31Å; L326-T334 HydrophobicContact CD1-CG2 4.24Å; L326-T334 HydrophobicContact CD2-CG2 4.5Å; L326-R336 HydrophobicContact CD2-CB 4.35Å
327I86.3Confident87Confident29 Ų2970.5 Ų70.515%0.14938%0.382CS..EExtended strand (participates in β ladder)trans-125.5142.3170.552168000109.6R325 R329 T334 T335 I337R325-I327 HydrophobicContact CG-CG2 4.29Å; R325-I327 VanDerWaalsContact NH1-CG2 3.35Å; I327-R329 HydrophobicContact CD1-CG 4.18Å; I327-T334 CarbonylContact O-C 3.6Å; I327-T334 WeakPolarHBondContact O-CA 3.01Å; I327-T335 WeakPolarHBondContact CG1-O 3.46Å; I327-T335 PolarHBondContact N-O 2.94Å; I327-T335 PolarHBondContact O-N 3.04Å; I327-I337 HydrophobicContact CD1-CB 3.98Å; I327-I337 HydrophobicContact CD1-CG2 4.13Å; I327-I337 HydrophobicContact CG1-CB 4.24Å; I327-I337 HydrophobicContact CG1-CG2 4.11Å; I327-I337 HydrophobicContact CG2-CG2 3.71Å
328N81.4Confident87.1Confident114 Ų11465.9 Ų65.961%0.6135%0.352SS*.EExtended strand (participates in β ladder)trans-94.8120.2165.7-70.6-24.8000108.2H333 T334N328-H333 CarbonylContact C-O 3.6Å; N328-H333 WeakPolarHBondContact CA-O 2.99Å; N328-T334 PolarHBondContact OD1-OG1 2.85Å
329R71.9Confident87.2Confident102 Ų10265.7 Ų65.739%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-94.9130.8174-73.8179.2156.8-164.2-9.2109.6L296 I327 L331 G332 H333L296-R329 VanDerWaalsContact CD2-NH2 3.32Å; I327-R329 HydrophobicContact CD1-CG 4.18Å; R329-L331 PolarHBondContact O-N 2.91Å; R329-G332 PolarHBondContact O-N 2.87Å; R329-H333 PolarHBondContact N-O 2.81Å; R329-H333 PolarHBondContact O-N 2.91Å; R329-H333 VanDerWaalsContact O-N 3.09Å
330G69.4Low87.2Confident87 Ų8763.6 Ų63.690%0.89733%0.331SS*.THydrogen-bonded Turntrans47.1-108171.100000114G332G330-G332 PolarHBondContact O-N 2.78Å
331L66.3Low87.3Confident144 Ų14461.6 Ų61.675%0.75432%0.322SS*.THydrogen-bonded Turntrans-70.319.1-173.2-62.2170.7000115R329R329-L331 PolarHBondContact O-N 2.91Å
332G65.1Low87.3Confident24 Ų2455.2 Ų55.225%0.24729%0.293CS..THydrogen-bonded Turntrans87.317.4-176.100000113.9Q241 R329 G330 T334Q241-G332 PolarHBondContact NE2-O 3Å; R329-G332 PolarHBondContact O-N 2.87Å; G330-G332 PolarHBondContact O-N 2.78Å; G332-T334 PolarHBondContact O-N 3.3Å
333H81.3Confident87.3Confident12 Ų1253 Ų536%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-72.8116.6177.3-58168.2000110.1Y264 E266 N328 R329Y264-H333 AromaticContact CD1-CD2 3.56Å; Y264-H333 AromaticContact CD1-NE2 3.78Å; Y264-H333 CarbonylContact O-C 3.55Å; Y264-H333 VanDerWaalsContact O-CA 3.31Å; Y264-H333 WeakPolarHBondContact O-CA 3.21Å; E266-H333 HydrophobicContact CB-CB 4.1Å; E266-H333 IonicContact OE1-CE1 3.76Å; E266-H333 PolarHBondContact OE1-CE1 3.19Å; E266-H333 IonicContact OE1-ND1 2.66Å; E266-H333 PolarHBondContact OE1-ND1 3.27Å; E266-H333 IonicContact OE2-CE1 2.81Å; E266-H333 IonicContact OE2-CG 2.67Å; E266-H333 IonicContact OE2-ND1 2.75Å; E266-H333 PolarHBondContact OE2-ND1 3.41Å; N328-H333 CarbonylContact C-O 3.6Å; N328-H333 WeakPolarHBondContact CA-O 2.99Å; R329-H333 PolarHBondContact N-O 2.81Å; R329-H333 PolarHBondContact O-N 2.91Å; R329-H333 VanDerWaalsContact O-N 3.09Å
334T84Confident87.3Confident2 Ų249.4 Ų49.41%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-82136.2179.9-54.20000110.5L263 Y264 P299 L326 I327 N328 G332L263-T334 HydrophobicContact CD1-CG2 4.37Å; Y264-T334 PolarHBondContact O-N 2.95Å; P299-T334 HydrophobicContact CG-CG2 4.09Å; L326-T334 HydrophobicContact CB-CG2 4.31Å; L326-T334 HydrophobicContact CD1-CG2 4.24Å; L326-T334 HydrophobicContact CD2-CG2 4.5Å; I327-T334 CarbonylContact O-C 3.6Å; I327-T334 WeakPolarHBondContact O-CA 3.01Å; N328-T334 PolarHBondContact OD1-OG1 2.85Å; G332-T334 PolarHBondContact O-N 3.3Å
335T87.6Confident87.4Confident0 Ų048.8 Ų48.80%026%0.264CS..EExtended strand (participates in β ladder)trans-146.3142.2-179.5-63.20000109.1V267 L296 I327V267-T335 HydrophobicContact CG1-CG2 3.73Å; V267-T335 HydrophobicContact CG2-CG2 4.34Å; L296-T335 HydrophobicContact CB-CG2 4.48Å; L296-T335 HydrophobicContact CD2-CG2 4.4Å; I327-T335 WeakPolarHBondContact CG1-O 3.46Å; I327-T335 PolarHBondContact N-O 2.94Å; I327-T335 PolarHBondContact O-N 3.04Å
336R90.6Very high87.6Confident18 Ų1847.1 Ų47.17%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-77.8126.5167.6-167.5-178.2-176.9114.3-8.7108.5G297 E298 P299 V301 W324 L326 S338G297-R336 PolarHBondContact N-O 2.97Å; G297-R336 WeakPolarHBondContact O-CA 3.45Å; G297-R336 VanDerWaalsContact O-CB 3.28Å; G297-R336 WeakPolarHBondContact O-CB 3.46Å; G297-R336 PolarHBondContact O-N 2.66Å; E298-R336 WeakPolarHBondContact O-CB 3.34Å; P299-R336 PolarHBondContact O-NH1 3.06Å; V301-R336 VanDerWaalsContact O-CD 3.26Å; V301-R336 WeakPolarHBondContact O-CD 3.35Å; W324-R336 HydrophobicContact CE3-CG 4.32Å; W324-R336 VanDerWaalsContact CG-NH2 3.34Å; L326-R336 HydrophobicContact CD2-CB 4.35Å; R336-S338 PolarHBondContact NE-OG 2.88Å
337I92.9Very high87.9Confident18 Ų1843.7 Ų43.79%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-104.4115.3160.1-168.9177.5000107.4T294 V295 L296 W324 R325 I327 Q339T294-I337 HydrophobicContact CG2-CD1 3.79Å; T294-I337 HydrophobicContact CG2-CG1 3.88Å; V295-I337 WeakPolarHBondContact O-CA 3.36Å; L296-I337 HydrophobicContact CD2-CB 4.36Å; L296-I337 HydrophobicContact CD2-CG1 4.17Å; W324-I337 CarbonylContact C-O 3.58Å; W324-I337 VanDerWaalsContact CA-O 3.27Å; W324-I337 WeakPolarHBondContact CA-O 3.46Å; R325-I337 HydrophobicContact CG-CG2 3.42Å; R325-I337 VanDerWaalsContact CG-CG2 3.42Å; R325-I337 PolarHBondContact N-O 2.79Å; R325-I337 PolarHBondContact O-N 2.97Å; I327-I337 HydrophobicContact CD1-CB 3.98Å; I327-I337 HydrophobicContact CD1-CG2 4.13Å; I327-I337 HydrophobicContact CG1-CB 4.24Å; I327-I337 HydrophobicContact CG1-CG2 4.11Å; I327-I337 HydrophobicContact CG2-CG2 3.71Å; I337-Q339 HydrophobicContact CD1-CG 4.24Å; I337-Q339 HydrophobicContact CG1-CG 3.93Å
338S95.9Very high88.3Confident5 Ų547 Ų474%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-104.5139.2170.1-790000107.8V295 T323 R336V295-S338 PolarHBondContact N-O 2.88Å; V295-S338 PolarHBondContact O-N 3.1Å; T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.47Å; R336-S338 PolarHBondContact NE-OG 2.88Å
339Q97.3Very high88.9Confident39 Ų3946.7 Ų46.718%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-138.5135.3-175.4-57-170.3-96.900109.3L292 C293 T294 D322 T323 I337L292-Q339 HydrophobicContact CD1-CB 3.99Å; L292-Q339 HydrophobicContact CD1-CG 4.49Å; C293-Q339 CarbonylContact O-C 3.6Å; C293-Q339 WeakPolarHBondContact O-CA 3.22Å; T294-Q339 HydrophobicContact CG2-CG 4.23Å; T294-Q339 PolarHBondContact OG1-NE2 3.29Å; D322-Q339 CarbonylContact C-O 3.57Å; D322-Q339 WeakPolarHBondContact CA-O 3.4Å; T323-Q339 PolarHBondContact N-O 2.55Å; T323-Q339 PolarHBondContact O-N 2.88Å; T323-Q339 PolarHBondContact OG1-O 3.43Å; I337-Q339 HydrophobicContact CD1-CG 4.24Å; I337-Q339 HydrophobicContact CG1-CG 3.93Å
340S98.3Very high89.9Confident0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-121.4130.4171.5-175.50000108C293 F305 W307 Q321 D322C293-S340 PolarHBondContact N-O 2.8Å; C293-S340 PolarHBondContact O-N 2.88Å; F305-S340 VanDerWaalsContact CD1-CB 3.49Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; W307-S340 PolarHBondContact NE1-OG 2.97Å; Q321-S340 WeakPolarHBondContact O-CA 3.33Å; D322-S340 WeakPolarHBondContact OD1-CB 3.44Å; D322-S340 PolarHBondContact OD1-OG 3.43Å
341V98.3Very high91.1Very high41 Ų4141 Ų4125%0.24822%0.22CC..EExtended strand (participates in β ladder)trans-115.9125.7174.9-177.30000108.1L292 I320 Q321L292-V341 HydrophobicContact CB-CG2 4.4Å; L292-V341 HydrophobicContact CD1-CG2 3.65Å; I320-V341 CarbonylContact C-O 3.55Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.27Å; Q321-V341 PolarHBondContact N-O 3.08Å; Q321-V341 PolarHBondContact O-N 2.8Å
342I98Very high92.5Very high2 Ų235.9 Ų35.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-99.4128.9162.7-173.1170.5000108.5S290 V291 W307 F309 V318 A319 I320 Y355S290-I342 CarbonylContact C-O 3.56Å; S290-I342 WeakPolarHBondContact CA-O 3.37Å; V291-I342 HydrophobicContact CB-CG2 3.81Å; V291-I342 HydrophobicContact CG2-CG2 4.49Å; V291-I342 PolarHBondContact N-O 3.16Å; V291-I342 PolarHBondContact O-N 3.01Å; W307-I342 HydrophobicContact CB-CD1 4.33Å; W307-I342 HydrophobicContact CD2-CB 4.12Å; W307-I342 HydrophobicContact CD2-CG2 3.85Å; W307-I342 HydrophobicContact CE3-CB 4.46Å; W307-I342 HydrophobicContact CE3-CG2 3.71Å; W307-I342 HydrophobicContact CG-CB 4.48Å; W307-I342 HydrophobicContact CG-CD1 4.39Å; W307-I342 HydrophobicContact CH2-CG2 3.67Å; W307-I342 HydrophobicContact CZ2-CB 4.27Å; W307-I342 HydrophobicContact CZ2-CG2 3.82Å; W307-I342 HydrophobicContact CZ3-CG2 3.61Å; F309-I342 HydrophobicContact CB-CD1 4.34Å; F309-I342 HydrophobicContact CD1-CD1 3.55Å; F309-I342 HydrophobicContact CE1-CD1 3.93Å; F309-I342 HydrophobicContact CG-CD1 3.95Å; V318-I342 HydrophobicContact CB-CD1 4.11Å; V318-I342 HydrophobicContact CB-CG1 3.99Å; V318-I342 HydrophobicContact CG1-CD1 4.18Å; V318-I342 HydrophobicContact CG1-CG1 4.4Å; V318-I342 HydrophobicContact CG2-CD1 4.07Å; V318-I342 HydrophobicContact CG2-CG1 4.29Å; A319-I342 CarbonylContact O-C 3.57Å; A319-I342 WeakPolarHBondContact O-CA 3.21Å; I320-I342 HydrophobicContact CD1-CD1 4.29Å; I320-I342 HydrophobicContact CD1-CG1 4.5Å; I320-I342 HydrophobicContact CG1-CB 4.15Å; I320-I342 HydrophobicContact CG1-CD1 4.24Å; I320-I342 HydrophobicContact CG1-CG1 3.9Å; I342-Y355 HydrophobicContact CG2-CD1 4.34Å
343T97.8Very high94Very high42 Ų4235.7 Ų35.726%0.25820%0.197SC..EExtended strand (participates in β ladder)trans-120.8136.8177.8-57.20000109.6I289 V318 A319I289-T343 WeakPolarHBondContact O-CA 3.46Å; V318-T343 WeakPolarHBondContact CA-O 3.42Å; A319-T343 PolarHBondContact N-O 2.03Å; A319-T343 PolarHBondContact O-N 3.34Å
344I96.5Very high94.8Very high2 Ų242.4 Ų42.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-119.4125.1171.6-76.1159000107.5I289 R316 V318 D351 Y355I289-I344 HydrophobicContact CG2-CB 3.7Å; I289-I344 HydrophobicContact CG2-CG2 4.09Å; I289-I344 PolarHBondContact N-O 3.09Å; I289-I344 PolarHBondContact O-N 3.09Å; R316-I344 VanDerWaalsContact NH2-CG2 3.3Å; V318-I344 HydrophobicContact CB-CG1 4.46Å; V318-I344 HydrophobicContact CG1-CD1 4.17Å; V318-I344 HydrophobicContact CG1-CG1 3.64Å; I344-D351 HydrophobicContact CD1-CB 4.4Å; I344-Y355 HydrophobicContact CD1-CE1 3.7Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.28Å
345E96.4Very high95.5Very high133 Ų13342.3 Ų42.362%0.62122%0.222SC*.SBendtrans-93145.8170.6-62.3171.9-178.900109D288 R316D288-E345 VanDerWaalsContact OD1-CA 3.28Å; D288-E345 WeakPolarHBondContact OD1-CA 3.31Å; R316-E345 PolarHBondContact NH1-O 3.34Å; R316-E345 PolarHBondContact NH2-O 2.67Å
346D95.4Very high96Very high103 Ų10344.5 Ų44.555%0.55123%0.233SC*.SBendtrans57.167.1179-1658.9000112.9G286 D288 R316 E348G286-D346 VanDerWaalsContact CA-OD1 3.31Å; G286-D346 WeakPolarHBondContact CA-OD1 3.35Å; D288-D346 PolarHBondContact OD1-N 2.88Å; R316-D346 PolarHBondContact NH2-O 2.85Å; D346-E348 PolarHBondContact O-N 3.07Å
347F95.4Very high96.3Very high1 Ų143.7 Ų43.70%0.00423%0.23CC..  trans-61.7125-171.5-177.3-101.2000113.7V283 G285 G286 D287 I289 D351 A352 V372 F374V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.75Å; V283-F347 HydrophobicContact CB-CG 4.13Å; V283-F347 HydrophobicContact CB-CZ 4.21Å; V283-F347 HydrophobicContact CG1-CB 3.76Å; V283-F347 HydrophobicContact CG1-CD1 3.54Å; V283-F347 HydrophobicContact CG1-CD2 4.27Å; V283-F347 HydrophobicContact CG1-CE1 4.13Å; V283-F347 HydrophobicContact CG1-CG 3.61Å; G285-F347 WeakPolarHBondContact CA-O 3.31Å; G286-F347 PolarHBondContact N-O 3.42Å; G286-F347 VanDerWaalsContact N-O 3.08Å; D287-F347 WeakPolarHBondContact O-CB 3.49Å; D287-F347 PolarHBondContact O-N 2.65Å; I289-F347 HydrophobicContact CB-CD2 4.38Å; I289-F347 HydrophobicContact CG2-CD2 3.57Å; I289-F347 HydrophobicContact CG2-CE2 4.11Å; I289-F347 HydrophobicContact CG2-CG 4.46Å; F347-D351 HydrophobicContact CD2-CB 3.43Å; F347-D351 VanDerWaalsContact CD2-CB 3.43Å; F347-D351 HydrophobicContact CE2-CB 3.38Å; F347-D351 HydrophobicContact CG-CB 4.28Å; F347-D351 HydrophobicContact CZ-CB 4.18Å; F347-A352 HydrophobicContact CZ-CB 4.11Å; F347-V372 HydrophobicContact CE2-CG1 3.95Å; F347-V372 HydrophobicContact CZ-CG1 3.79Å; F347-F374 HydrophobicContact CD1-CD2 4.2Å; F347-F374 HydrophobicContact CD1-CE2 4.48Å; F347-F374 AromaticContact CE1-CD2 3.9Å; F347-F374 HydrophobicContact CE1-CD2 3.9Å
348E94.4Very high96.6Very high98 Ų9843.8 Ų43.846%0.45823%0.232SC..  trans-109.9171.4179.3-71.3-159.9148.900113.1D346 I350 D351D346-E348 PolarHBondContact O-N 3.07Å; E348-I350 HydrophobicContact CB-CG1 3.8Å; E348-I350 PolarHBondContact O-N 3.12Å; E348-D351 PolarHBondContact N-OD2 3.25Å; E348-D351 WeakPolarHBondContact O-CB 3.43Å; E348-D351 PolarHBondContact O-N 3.15Å
349T93Very high96.7Very high107 Ų10743.5 Ų43.566%0.65623%0.23SC*.THydrogen-bonded Turntrans-64-21.1174.554.30000113.6D351 F374T349-D351 VanDerWaalsContact C-N 3.27Å; T349-F374 HydrophobicContact CG2-CD2 4.08Å; T349-F374 HydrophobicContact CG2-CE2 4.05Å
350I94.1Very high96.6Very high71 Ų7144.5 Ų44.536%0.36424%0.235SC..THydrogen-bonded Turntrans-74.2-15.8172.159.4166.4000113.4P310 G311 E348P310-I350 VanDerWaalsContact CB-O 3.28Å; P310-I350 WeakPolarHBondContact CB-O 3.1Å; G311-I350 PolarHBondContact N-O 2.82Å; E348-I350 HydrophobicContact CB-CG1 3.8Å; E348-I350 PolarHBondContact O-N 3.12Å
351D95Very high96.3Very high0 Ų045.4 Ų45.40%024%0.239CC..SBendtrans-93.2-10.8-178.9-59.5-46.1000112.6R316 I344 F347 E348 T349 Y355R316-D351 WeakPolarHBondContact CG-OD1 3.47Å; R316-D351 IonicContact CZ-OD1 2.89Å; R316-D351 IonicContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact NE-CG 3.31Å; R316-D351 IonicContact NE-OD1 3Å; R316-D351 PolarHBondContact NE-OD1 2.82Å; R316-D351 IonicContact NE-OD2 3.18Å; R316-D351 PolarHBondContact NE-OD2 2.83Å; R316-D351 IonicContact NH2-OD2 2.72Å; R316-D351 PolarHBondContact NH2-OD2 2.89Å; I344-D351 HydrophobicContact CD1-CB 4.4Å; F347-D351 HydrophobicContact CD2-CB 3.43Å; F347-D351 VanDerWaalsContact CD2-CB 3.43Å; F347-D351 HydrophobicContact CE2-CB 3.38Å; F347-D351 HydrophobicContact CG-CB 4.28Å; F347-D351 HydrophobicContact CZ-CB 4.18Å; E348-D351 PolarHBondContact N-OD2 3.25Å; E348-D351 WeakPolarHBondContact O-CB 3.43Å; E348-D351 PolarHBondContact O-N 3.15Å; T349-D351 VanDerWaalsContact C-N 3.27Å; D351-Y355 VanDerWaalsContact O-CE2 3.3Å; D351-Y355 WeakPolarHBondContact O-CE2 3.25Å; D351-Y355 PolarHBondContact O-OH 2.83Å
352A96Very high96Very high35 Ų3551.3 Ų51.329%0.28927%0.269SS..  trans-74.6130.9176.600000111.6F347 V372F347-A352 HydrophobicContact CZ-CB 4.11Å; A352-V372 CarbonylContact C-O 3.56Å; A352-V372 WeakPolarHBondContact CA-O 3.26Å
353G96.4Very high95.6Very high21 Ų2158.6 Ų58.622%0.21630%0.296CS..EExtended strand (participates in β ladder)trans143.5-150.6179.800000114T371 V372G353-T371 WeakPolarHBondContact O-CA 3.49Å; G353-V372 PolarHBondContact N-O 2.98Å; G353-V372 PolarHBondContact O-N 2.73Å
354Y97.4Very high95.4Very high152 Ų15258 Ų5860%0.59630%0.298SS*.EExtended strand (participates in β ladder)trans-87.3126.4-175-68.5-72.3000113T370 T371Y354-T370 WeakPolarHBondContact CA-O 3.09Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.37Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.35Å
355Y97.9Very high95.4Very high1 Ų163.1 Ų63.10%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-104.8114.7171-72.4-101.9000108.2I276 V291 F309 P310 I342 I344 D351 A369 T370 V372I276-Y355 WeakPolarHBondContact CD1-O 3.43Å; V291-Y355 HydrophobicContact CB-CD1 4.38Å; V291-Y355 HydrophobicContact CG2-CD1 3.74Å; V291-Y355 HydrophobicContact CG2-CE1 4.27Å; V291-Y355 HydrophobicContact CG2-CG 3.9Å; F309-Y355 HydrophobicContact CB-CD1 3.98Å; F309-Y355 HydrophobicContact CB-CE1 3.93Å; P310-Y355 HydrophobicContact CG-CE2 4.14Å; I342-Y355 HydrophobicContact CG2-CD1 4.34Å; I344-Y355 HydrophobicContact CD1-CE1 3.7Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.28Å; D351-Y355 VanDerWaalsContact O-CE2 3.3Å; D351-Y355 WeakPolarHBondContact O-CE2 3.25Å; D351-Y355 PolarHBondContact O-OH 2.83Å; Y355-A369 CarbonylContact O-C 3.49Å; Y355-A369 VanDerWaalsContact O-CA 3.27Å; Y355-A369 WeakPolarHBondContact O-CA 3.37Å; Y355-T370 PolarHBondContact N-O 2.98Å; Y355-T370 PolarHBondContact O-N 3.39Å; Y355-V372 HydrophobicContact CD2-CB 4.19Å; Y355-V372 HydrophobicContact CD2-CG2 3.78Å; Y355-V372 HydrophobicContact CE2-CB 3.87Å; Y355-V372 HydrophobicContact CE2-CG2 3.83Å
356I98.3Very high95.4Very high46 Ų4658.6 Ų58.624%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-118.4117.4-171.5-45-179000109.2W307 I308 T367 V368 A369W307-I356 WeakPolarHBondContact CA-O 3.22Å; I308-I356 HydrophobicContact CB-CB 4.22Å; I308-I356 PolarHBondContact N-O 3.07Å; I308-I356 PolarHBondContact O-N 3.18Å; I356-T367 HydrophobicContact CG2-CG2 3.41Å; I356-T367 VanDerWaalsContact CG2-CG2 3.41Å; I356-V368 CarbonylContact C-O 3.58Å; I356-V368 WeakPolarHBondContact CA-O 3.41Å; I356-A369 HydrophobicContact CG1-CB 4.08Å; I356-A369 HydrophobicContact CG2-CB 4.43Å
357C98.4Very high95.5Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-99.6129.2170.8174.60000109.6I276 C293 W307 T367 V368I276-C357 HydrophobicContact CD1-CB 4.14Å; C293-C357 HydrophobicContact CB-CB 3.57Å; C293-C357 WeakPolarHBondContact CB-SG 3.13Å; C293-C357 WeakPolarHBondContact SG-CB 3.43Å; C293-C357 CovalentContact SG-SG 2.03Å; C293-C357 PolarHBondContact SG-SG 3.13Å; W307-C357 HydrophobicContact CD2-CB 4.38Å; W307-C357 HydrophobicContact CE3-CB 4.05Å; W307-C357 HydrophobicContact CH2-CB 3.91Å; W307-C357 HydrophobicContact CZ2-CB 4.21Å; W307-C357 HydrophobicContact CZ3-CB 3.81Å; C357-T367 CarbonylContact O-C 3.57Å; C357-T367 WeakPolarHBondContact O-CA 3.31Å; C357-V368 HydrophobicContact CB-CG2 4.02Å; C357-V368 PolarHBondContact N-O 3.08Å; C357-V368 PolarHBondContact O-N 3.25Å
358T98.1Very high95.6Very high20 Ų2058.6 Ų58.612%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-112121.5164.8-620000109.1R306 Q365 T367R306-T358 PolarHBondContact N-O 3Å; R306-T358 PolarHBondContact O-N 2.89Å; T358-Q365 HydrophobicContact CG2-CB 4.17Å; T358-T367 WeakPolarHBondContact CG2-OG1 3.34Å; T358-T367 WeakPolarHBondContact OG1-CG2 3.5Å; T358-T367 PolarHBondContact OG1-OG1 2.88Å
359A97.3Very high95.7Very high0 Ų056.6 Ų56.60%031%0.308CS..EExtended strand (participates in β ladder)trans-104.2130.4172.700000109.5P272 T274 V295 V303 E304 F305 Q365 T366P272-A359 HydrophobicContact CB-CB 4.05Å; P272-A359 HydrophobicContact CG-CB 4.27Å; T274-A359 HydrophobicContact CG2-CB 4.21Å; V295-A359 HydrophobicContact CG2-CB 3.52Å; V303-A359 HydrophobicContact CG1-CB 3.86Å; E304-A359 CarbonylContact O-C 3.58Å; E304-A359 WeakPolarHBondContact O-CA 3.32Å; F305-A359 HydrophobicContact CD1-CB 4.29Å; F305-A359 HydrophobicContact CE1-CB 4.23Å; A359-Q365 CarbonylContact O-C 3.57Å; A359-Q365 WeakPolarHBondContact O-CA 3.4Å; A359-T366 PolarHBondContact N-O 2.63Å; A359-T366 PolarHBondContact O-N 3.2Å
360Q95.5Very high96Very high60 Ų6052.7 Ų52.728%0.2828%0.283SS..EExtended strand (participates in β ladder)trans-125139.8-176.4-178.7175.2-10.200111.3V303 E304 R306 Q365V303-Q360 CarbonylContact C-O 3.6Å; V303-Q360 WeakPolarHBondContact CA-O 3.3Å; E304-Q360 HydrophobicContact CB-CB 4.49Å; E304-Q360 PolarHBondContact N-O 3Å; E304-Q360 PolarHBondContact O-N 3.22Å; R306-Q360 VanDerWaalsContact CZ-OE1 3.32Å; R306-Q360 VanDerWaalsContact NH2-OE1 3.08Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.23Å
361N93.2Very high96.1Very high19 Ų1951.7 Ų51.710%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-137-176.3170.473.66.3000111G270 P272 V301 E302 R363 G364G270-N361 PolarHBondContact O-ND2 3.11Å; P272-N361 HydrophobicContact CG-CB 3.96Å; V301-N361 HydrophobicContact CG1-CB 3.79Å; E302-N361 WeakPolarHBondContact O-CB 3.34Å; N361-R363 PolarHBondContact O-N 3.39Å; N361-R363 WeakPolarHBondContact OD1-CA 3.4Å; N361-R363 WeakPolarHBondContact OD1-CB 3.36Å; N361-R363 PolarHBondContact OD1-N 2.89Å; N361-G364 PolarHBondContact N-O 2.95Å; N361-G364 PolarHBondContact O-N 2.72Å; N361-G364 VanDerWaalsContact O-O 3.13Å; N361-G364 PolarHBondContact OD1-N 3.37Å; N361-G364 PolarHBondContact OD1-O 2.97Å
362L91.5Very high96.2Very high165 Ų16551.7 Ų51.786%0.86428%0.281SS*.THydrogen-bonded Turntrans-66.4-2.3178.8-61.9177.4000115.1
363R90.4Very high96.2Very high155 Ų15554.8 Ų54.859%0.58529%0.29SS*.THydrogen-bonded Turntrans-112.8-14.1179.7-55.9-56.8-174.9-165.61.6113.4G270 N361G270-R363 VanDerWaalsContact C-CB 3.47Å; G270-R363 WeakPolarHBondContact O-CB 3.45Å; N361-R363 PolarHBondContact O-N 3.39Å; N361-R363 WeakPolarHBondContact OD1-CA 3.4Å; N361-R363 WeakPolarHBondContact OD1-CB 3.36Å; N361-R363 PolarHBondContact OD1-N 2.89Å
364G92.8Very high96Very high29 Ų2958 Ų5830%0.29930%0.297SS..EExtended strand (participates in β ladder)trans155.1-161.1177.500000112.5N361N361-G364 PolarHBondContact N-O 2.95Å; N361-G364 PolarHBondContact O-N 2.72Å; N361-G364 VanDerWaalsContact O-O 3.13Å; N361-G364 PolarHBondContact OD1-N 3.37Å; N361-G364 PolarHBondContact OD1-O 2.97Å
365Q95.5Very high95.6Very high109 Ų10955.5 Ų55.551%0.50930%0.302SS..EExtended strand (participates in β ladder)trans-135.7153.2175.566.2-178.666.600110.9T358 A359 Q360T358-Q365 HydrophobicContact CG2-CB 4.17Å; A359-Q365 CarbonylContact O-C 3.57Å; A359-Q365 WeakPolarHBondContact O-CA 3.4Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.23Å
366T96.3Very high95.5Very high39 Ų3958.2 Ų58.224%0.23932%0.317CS..EExtended strand (participates in β ladder)trans-130.8126175.2-59.20000108.5P272 A359 V368P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 2.96Å; A359-T366 PolarHBondContact N-O 2.63Å; A359-T366 PolarHBondContact O-N 3.2Å; T366-V368 HydrophobicContact CG2-CG1 4.45Å
367T97.8Very high95.4Very high75 Ų7558.8 Ų58.846%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-111.5130.7-179.9-58.70000109.5I356 C357 T358I356-T367 HydrophobicContact CG2-CG2 3.41Å; I356-T367 VanDerWaalsContact CG2-CG2 3.41Å; C357-T367 CarbonylContact O-C 3.57Å; C357-T367 WeakPolarHBondContact O-CA 3.31Å; T358-T367 WeakPolarHBondContact CG2-OG1 3.34Å; T358-T367 WeakPolarHBondContact OG1-CG2 3.5Å; T358-T367 PolarHBondContact OG1-OG1 2.88Å
368V97.9Very high95.2Very high29 Ų2962.1 Ų62.118%0.17634%0.339CS..EExtended strand (participates in β ladder)trans-131.4150.4178.7-66.40000109.9T274 I276 I356 C357 T366T274-V368 HydrophobicContact CG2-CG1 4.25Å; T274-V368 HydrophobicContact CG2-CG2 3.61Å; I276-V368 HydrophobicContact CB-CB 4.3Å; I276-V368 HydrophobicContact CB-CG2 3.69Å; I276-V368 HydrophobicContact CD1-CG2 4.44Å; I276-V368 HydrophobicContact CG2-CB 3.85Å; I276-V368 HydrophobicContact CG2-CG2 3.82Å; I356-V368 CarbonylContact C-O 3.58Å; I356-V368 WeakPolarHBondContact CA-O 3.41Å; C357-V368 HydrophobicContact CB-CG2 4.02Å; C357-V368 PolarHBondContact N-O 3.08Å; C357-V368 PolarHBondContact O-N 3.25Å; T366-V368 HydrophobicContact CG2-CG1 4.45Å
369A97.8Very high95.1Very high56 Ų5664.6 Ų64.646%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-134.7147.8-17900000111.8Y355 I356Y355-A369 CarbonylContact O-C 3.49Å; Y355-A369 VanDerWaalsContact O-CA 3.27Å; Y355-A369 WeakPolarHBondContact O-CA 3.37Å; I356-A369 HydrophobicContact CG1-CB 4.08Å; I356-A369 HydrophobicContact CG2-CB 4.43Å
370T97.9Very high94.9Very high24 Ų2468.6 Ų68.615%0.14737%0.374CS..EExtended strand (participates in β ladder)trans-128.1164.4163.9-167.40000109.6I276 A278 V291 Y354 Y355I276-T370 HydrophobicContact CD1-CG2 3.97Å; I276-T370 HydrophobicContact CG1-CG2 4.01Å; A278-T370 HydrophobicContact CB-CG2 4.17Å; V291-T370 HydrophobicContact CG1-CG2 3.67Å; Y354-T370 WeakPolarHBondContact CA-O 3.09Å; Y355-T370 PolarHBondContact N-O 2.98Å; Y355-T370 PolarHBondContact O-N 3.39Å
371T97.4Very high94.9Very high51 Ų5169.2 Ų69.231%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-115.3135.7175.6-45.70000109G353 Y354 E373G353-T371 WeakPolarHBondContact O-CA 3.49Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.37Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.35Å; T371-E373 HydrophobicContact CG2-CG 4.41Å
372V97.1Very high95Very high0 Ų072.8 Ų72.80%040%0.4CS..EExtended strand (participates in β ladder)trans-115.6124.4168.1-175.90000107.5A278 V283 I289 V291 F347 A352 G353 Y355A278-V372 HydrophobicContact CB-CG2 3.94Å; V283-V372 HydrophobicContact CB-CG1 4.36Å; V283-V372 HydrophobicContact CG2-CG1 3.55Å; I289-V372 HydrophobicContact CD1-CG1 4.39Å; I289-V372 HydrophobicContact CD1-CG2 4.43Å; I289-V372 HydrophobicContact CG1-CG1 4.22Å; I289-V372 HydrophobicContact CG1-CG2 4.27Å; V291-V372 HydrophobicContact CG2-CG2 4.42Å; F347-V372 HydrophobicContact CE2-CG1 3.95Å; F347-V372 HydrophobicContact CZ-CG1 3.79Å; A352-V372 CarbonylContact C-O 3.56Å; A352-V372 WeakPolarHBondContact CA-O 3.26Å; G353-V372 PolarHBondContact N-O 2.98Å; G353-V372 PolarHBondContact O-N 2.73Å; Y355-V372 HydrophobicContact CD2-CB 4.19Å; Y355-V372 HydrophobicContact CD2-CG2 3.78Å; Y355-V372 HydrophobicContact CE2-CB 3.87Å; Y355-V372 HydrophobicContact CE2-CG2 3.83Å
373E95.8Very high95.3Very high100 Ų10065.7 Ų65.747%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-102.4155177.4-62-179.4173.200110.5N281 K282 V283 T371N281-E373 PolarHBondContact O-N 3.04Å; K282-E373 WeakPolarHBondContact CA-O 3.28Å; K282-E373 VanDerWaalsContact CE-OE2 3.22Å; K282-E373 WeakPolarHBondContact CE-OE2 3.31Å; K282-E373 HydrophobicContact CG-CB 4.25Å; K282-E373 IonicContact NZ-OE2 3.84Å; K282-E373 PolarHBondContact NZ-OE2 3.24Å; V283-E373 PolarHBondContact N-O 2.74Å; V283-E373 VanDerWaalsContact N-O 3.07Å; T371-E373 HydrophobicContact CG2-CG 4.41Å
374F92.4Very high95.7Very high87 Ų8758.3 Ų58.338%0.38235%0.346SS..EExtended strand (participates in β ladder)trans-68.2146.8160.8-152.4-88.7000109.2G285 F347 T349G285-F374 VanDerWaalsContact N-CZ 3.28Å; F347-F374 HydrophobicContact CD1-CD2 4.2Å; F347-F374 HydrophobicContact CD1-CE2 4.48Å; F347-F374 AromaticContact CE1-CD2 3.9Å; F347-F374 HydrophobicContact CE1-CD2 3.9Å; T349-F374 HydrophobicContact CG2-CD2 4.08Å; T349-F374 HydrophobicContact CG2-CE2 4.05Å
375S89.3Confident95.9Very high100 Ų10060.9 Ų60.970%0.69935%0.351SS*.  trans-76.40-176.5-1650000115V283V283-S375 PolarHBondContact O-N 3.28Å

Retrieved 375 of 375 residues in 606.4 ms (Link to these results)