A0A3B3W2F8_9TELE Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A3B3W2F8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 248 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
1M43.2Very low48.7Very low249 Ų249143.2 Ų143.2100%1.22781%0.814SS**  097.80-97.3177.1-10900109.2
2A42.8Very low48.6Very low107 Ų107151.5 Ų151.588%0.88482%0.823SS**  trans-171.875.916400000108.2
3A52.7Low48.5Very low90 Ų90158.2 Ų158.274%0.74483%0.829SS**  trans-139.960.1175.900000109
4L48.9Very low48.5Very low167 Ų167159.5 Ų159.587%0.87483%0.828SS**  trans-145.739.8-176.8-67.2176.8000112.6
5A49.6Very low48.5Very low94 Ų94158.3 Ų158.378%0.77783%0.831SS**SBendtrans-136.219.4175.100000113.9
6S50.3Low47.9Very low107 Ų107161.3 Ų161.375%0.74883%0.834SS**SBendtrans-117.6-7.5-174.5-37.60000114.3
7S47.9Very low47.3Very low82 Ų82160.8 Ų160.857%0.57383%0.834SS**SBendtrans-97.2-15-170.8410000115.1I9S7-I9 PolarHBondContact O-N 3.46Å
8L50.9Low47.1Very low148 Ų148157.8 Ų157.878%0.77583%0.826SS**THydrogen-bonded Turntrans-83.8-4.2-175.9-81.6166.7000115.4
9I52.3Low46.6Very low155 Ų155159.8 Ų159.880%0.79583%0.83SS**THydrogen-bonded Turntrans-99.2-13-178.6-61.2174.5000112.3S7S7-I9 PolarHBondContact O-N 3.46Å
10R51.1Low46.2Very low220 Ų220156.6 Ų156.683%0.8383%0.829SS**SBendtrans-95.3-14.5179.6-79.9-176176.1-175.7-1.5115.4R12R10-R12 PolarHBondContact O-N 3.45Å
11Q45.8Very low46.1Very low156 Ų156156.4 Ų156.473%0.72983%0.828SS**G310 helixtrans-81.4-6.7-177.4-82.1-176-33.100115.4R13Q11-R13 VanDerWaalsContact C-N 3.35Å; Q11-R13 PolarHBondContact O-N 3.1Å
12R47.8Very low45.9Very low243 Ų243156 Ų15692%0.91781%0.813SS**G310 helixtrans-90.116.1179.1-87.1-119.8-176.5171.91114.8R10R10-R12 PolarHBondContact O-N 3.45Å
13R47.4Very low45.8Very low238 Ų238159 Ų15990%0.89881%0.808SS**G310 helixtrans-120.1-2.4178.3-83.3-171-178.9178.11.1116.9Q11Q11-R13 VanDerWaalsContact C-N 3.35Å; Q11-R13 PolarHBondContact O-N 3.1Å
14E48.3Very low45.4Very low177 Ų177162.6 Ų162.683%0.82781%0.814SS**SBendtrans-122.820-171.6-76.1-178.9174.800116.2
15V48Very low44.8Very low142 Ų142159.4 Ų159.486%0.86181%0.811SS**  trans-13080.2168.5-170.10000110.3
16K39.4Very low44.8Very low205 Ų205160.2 Ų160.289%0.89181%0.811SS**  trans-161.497.7149.9-158.2162.9-176.1173.10111.2
17D37.4Very low44.7Very low154 Ų154164.7 Ų164.782%0.82482%0.817SS**  trans-127165.5159.9-108.5-30.2000107.6
18P44.5Very low44.7Very low106 Ų106172.6 Ų172.669%0.68883%0.834SS**  cis-127.5-174.1-39.628.3-7.7000110.7
19Q37.9Very low44.7Very low196 Ų196174.9 Ų174.992%0.91684%0.838SS**  trans6796.4167.9-72.4-176-25.200118.9
20A37.8Very low44.4Very low96 Ų96173.6 Ų173.679%0.79384%0.84SS**  trans-142.7109.1138.500000108.8R22A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.1Å
21N45Very low43.8Very low153 Ų153168.7 Ų168.782%0.81884%0.838SS**  trans-45.9106.7173-168.811.2000110.9
22R39.3Very low44Very low239 Ų239167 Ų16790%0.90284%0.84SS**  trans-113.3102.3172.3-133.2179.7-169.7-177.43.3109A20A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.1Å
23Q38.9Very low44.5Very low170 Ų170165.9 Ų165.979%0.79484%0.842SS**  trans-54.7135.4176.7-67.6176.2-17.700111A25Q23-A25 PolarHBondContact O-N 3.27Å
24I44.5Very low44.4Very low167 Ų167159.9 Ų159.986%0.85684%0.837SS**  trans-62.2116.9174.8-65.5161000108.1S26I24-S26 PolarHBondContact O-N 3.12Å; I24-S26 VanDerWaalsContact O-N 3.12Å
25A37.5Very low44.7Very low99 Ų99158.9 Ų158.982%0.81884%0.837SS**  trans-63.8114.9176.800000109.7Q23Q23-A25 PolarHBondContact O-N 3.27Å
26S48.8Very low44.8Very low111 Ų111160.8 Ų160.878%0.77683%0.834SS**  trans-64.4152.1176.157.60000111.6I24I24-S26 PolarHBondContact O-N 3.12Å; I24-S26 VanDerWaalsContact O-N 3.12Å
27K48.8Very low45.7Very low201 Ų201154.9 Ų154.987%0.87482%0.818SS**  trans-42.7133.6-177.6-61.1-174.1176.6-176.70112.9K29K27-K29 PolarHBondContact O-N 3.24Å
28R46.9Very low46.4Very low249 Ų249154.8 Ų154.894%0.9482%0.817SS**PPolyproline II helixtrans-58.3121.1170.4-70.6-177.8178.4176.2-0.5109.6
29K51.6Low46.9Very low195 Ų195153.9 Ų153.985%0.84881%0.812SS**PPolyproline II helixtrans-72.5143.6170.9-71.3-177.7177.7179.40110.2K27K27-K29 PolarHBondContact O-N 3.24Å
30P46.4Very low47.6Very low128 Ų128149.7 Ų149.783%0.83179%0.792SS**PPolyproline II helixtrans-69136.2172.2-12.527.5000111
31C38.9Very low48.2Very low118 Ų118153.1 Ų153.180%0.79779%0.789SS**PPolyproline II helixtrans-68.3146.3175.3-52.60000111.2
32P49.1Very low48.5Very low119 Ų119152.1 Ų152.177%0.77378%0.78SS**PPolyproline II helixtrans-72.8143.7179.829.1-31.6000111.8S34P32-S34 PolarHBondContact O-N 3.41Å
33K57.6Low49.3Very low220 Ų220145.7 Ų145.796%0.95776%0.763SS**  trans-66.6108.2171.1-70.2177.2177.8174.70108.8
34S46.6Very low50Low112 Ų112143.6 Ų143.678%0.78376%0.756SS**  trans-107.9140.6172.8174.90000110.7P32P32-S34 PolarHBondContact O-N 3.41Å
35N54.5Low50.5Low157 Ų157140.4 Ų140.484%0.8474%0.74SS**PPolyproline II helixtrans-59.6133.9-170.5-71.8-44.6000112.9S37N35-S37 PolarHBondContact O-N 3.12Å
36K49.5Very low51.2Low182 Ų182142.2 Ų142.279%0.79174%0.735SS**PPolyproline II helixtrans-63.3119.4180-62.1179.5-179.4177.70109.9
37S57.6Low51.5Low81 Ų81142.4 Ų142.457%0.56673%0.726SS**PPolyproline II helixtrans-68.6152.6174.371.50000111.3N35 C39 Q40N35-S37 PolarHBondContact O-N 3.12Å; S37-C39 PolarHBondContact O-N 2.94Å; S37-Q40 PolarHBondContact O-N 3.27Å; S37-Q40 VanDerWaalsContact O-N 3.12Å
38L53.9Low51.7Low151 Ų151137.2 Ų137.279%0.79172%0.715SS**THydrogen-bonded Turntrans-56.4-16.3-176.1-141.3105.7000113.9Q40L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.18Å
39C54.4Low51.9Low87 Ų87133.7 Ų133.759%0.58871%0.706SS**Hα-helixtrans-74.7-11.4178.6-680000114.4S37S37-C39 PolarHBondContact O-N 2.94Å
40Q51.5Low52Low108 Ų108129.7 Ų129.751%0.50570%0.698SS.*Hα-helixtrans-86.3-20.6-179.1-129.6172.715.600113.8S37 L38S37-Q40 PolarHBondContact O-N 3.27Å; S37-Q40 VanDerWaalsContact O-N 3.12Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.18Å
41K50.9Low52.1Low168 Ų168134.5 Ų134.573%0.7370%0.7SS**Hα-helixtrans-82.5-28.6-179.6-71-177.1178.1-179.70113.1I45K41-I45 WeakPolarHBondContact O-CG1 3.3Å
42Q51.9Low52.6Low133 Ų133137.1 Ų137.162%0.62170%0.704SS**Hα-helixtrans-76.3-30.5177.6-91.9164.8-900113.5L44 I45 L46Q42-L44 PolarHBondContact O-N 3.02Å; Q42-I45 PolarHBondContact O-N 3.26Å; Q42-L46 PolarHBondContact O-N 3.48Å
43I56.4Low52.6Low104 Ų104137 Ų13753%0.53371%0.705SS.*Hα-helixtrans-64.2-41177.2-67.3169.9000111.1I45 L46 I47I43-I45 VanDerWaalsContact C-N 3.32Å; I43-I45 PolarHBondContact O-N 3.04Å; I43-L46 PolarHBondContact O-N 2.85Å; I43-I47 HydrophobicContact CG2-CD1 3.8Å; I43-I47 WeakPolarHBondContact O-CD1 3.26Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.09Å; I43-I47 VanDerWaalsContact O-N 3.1Å
44L53.6Low52.4Low126 Ų126129.6 Ų129.666%0.6669%0.691SS**Hα-helixtrans-68.5-30177.3-80.3161.2000113Q42 S48Q42-L44 PolarHBondContact O-N 3.02Å; L44-S48 PolarHBondContact O-N 3.2Å; L44-S48 PolarHBondContact O-OG 3.1Å
45I54.8Low52.6Low100 Ų100129.9 Ų129.951%0.51369%0.693SS.*Hα-helixtrans-74.5-31.8175.1-66.5171.1000111.2K41 Q42 I43 S48K41-I45 WeakPolarHBondContact O-CG1 3.3Å; Q42-I45 PolarHBondContact O-N 3.26Å; I43-I45 VanDerWaalsContact C-N 3.32Å; I43-I45 PolarHBondContact O-N 3.04Å; I45-S48 VanDerWaalsContact CA-OG 3.3Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-OG 3.06Å
46L51.8Low52.6Low137 Ų137133.4 Ų133.472%0.71770%0.695SS**Hα-helixtrans-69.8-38.6174.2-133.288.1000111.8Q42 I43 S48Q42-L46 PolarHBondContact O-N 3.48Å; I43-L46 PolarHBondContact O-N 2.85Å; L46-S48 VanDerWaalsContact C-N 3.34Å
47I55.3Low52.8Low115 Ų115128.4 Ų128.459%0.5970%0.695SS**Hα-helixtrans-73.3-26.7179.7-61.5163.8000111.7I43I43-I47 HydrophobicContact CG2-CD1 3.8Å; I43-I47 WeakPolarHBondContact O-CD1 3.26Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.09Å; I43-I47 VanDerWaalsContact O-N 3.1Å
48S53.2Low52.6Low91 Ų91136 Ų13664%0.63671%0.712SS**THydrogen-bonded Turntrans-83.8-6.6179.541.30000114.7L44 I45 L46L44-S48 PolarHBondContact O-N 3.2Å; L44-S48 PolarHBondContact O-OG 3.1Å; I45-S48 VanDerWaalsContact CA-OG 3.3Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-OG 3.06Å; L46-S48 VanDerWaalsContact C-N 3.34Å
49K51.4Low52.6Low176 Ų176138.3 Ų138.377%0.76572%0.715SS**THydrogen-bonded Turntrans-103.94.3174.8-77.7-173.4176.8177.60114.7R51K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.28Å
50V51.6Low52.6Low110 Ų110143 Ų14367%0.66773%0.73SS**SBendtrans-76.592.4166-168.50000107.5L52V50-L52 PolarHBondContact O-N 3.18Å
51R48.9Very low53.2Low230 Ų230146.4 Ų146.487%0.86875%0.746SS**  trans-50.1106.8170.8-163.9-179.9-141.9137.81.3108.1K49 C53K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.28Å; R51-C53 PolarHBondContact O-N 3.45Å
52L49.6Very low53.7Low172 Ų172147.5 Ų147.590%0.90175%0.751SS**  trans-62.478.2165.8-85.1148.3000108.3V50 G54V50-L52 PolarHBondContact O-N 3.18Å; L52-G54 PolarHBondContact O-N 2.99Å
53C48.8Very low54.2Low117 Ų117152 Ų15279%0.79176%0.763SS**  trans-76.7101.4171.9-1690000108.1R51R51-C53 PolarHBondContact O-N 3.45Å
54G54.1Low54.8Low64 Ų64152.4 Ų152.466%0.6677%0.772SS**  trans65.774.3147.600000117.1L52 R56L52-G54 PolarHBondContact O-N 2.99Å; G54-R56 PolarHBondContact O-N 3.28Å
55S50.3Low55.5Low118 Ų118151.1 Ų151.183%0.82576%0.763SS**  trans-91.185.7147.6-64.70000107.8G57S55-G57 PolarHBondContact O-N 3.14Å; S55-G57 VanDerWaalsContact O-N 3.16Å
56R55.8Low56.3Low231 Ų231150.4 Ų150.487%0.87276%0.764SS**  trans-43.7125.4153.3-70.6176.2-176.7166.60.9105.6G54 R58G54-R56 PolarHBondContact O-N 3.28Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.07Å
57G52.5Low57.9Low78 Ų78149.9 Ų149.980%0.80476%0.758SS**  trans-49.5101.2176.100000108.3S55 K59S55-G57 PolarHBondContact O-N 3.14Å; S55-G57 VanDerWaalsContact O-N 3.16Å; G57-K59 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.76Å
58R53.4Low59.7Low240 Ų240146.1 Ų146.191%0.90674%0.739SS**  trans-58.9110.8163.8-83.7-177.4175.3176.2-1.8102.2R56 M60R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.07Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.95Å
59K53.1Low61.7Low200 Ų200148.8 Ų148.887%0.8774%0.739SS**  trans-40.4115.3154.7-98.3-178.9174.4177.60103.9G57 E61G57-K59 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.76Å; K59-E61 PolarHBondContact O-N 2.82Å
60M56.1Low63.9Low184 Ų184140.7 Ų140.791%0.90671%0.705SS**  trans-6194.5173.7-165.6174.7167.700103.5R58 K62R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.95Å; M60-K62 PolarHBondContact O-N 3.4Å
61E62.9Low66.1Low180 Ų180137.8 Ų137.884%0.84169%0.685SS**  trans-57.3109178.1-171.7174-177.800103.9K59 R63K59-E61 PolarHBondContact O-N 2.82Å; E61-R63 PolarHBondContact O-N 2.91Å
62K62.2Low68.5Low191 Ų191127.3 Ų127.383%0.8365%0.647SS**PPolyproline II helixtrans-52.5117.3179.3-89.6-175174.8-177.10105.1M60M60-K62 PolarHBondContact O-N 3.4Å
63R63.2Low70.8Confident229 Ų229119.1 Ų119.186%0.86460%0.604SS**PPolyproline II helixtrans-47.7128173.9-138.5177.4-170.3164.61.7106.2E61 E65E61-R63 PolarHBondContact O-N 2.91Å; R63-E65 PolarHBondContact O-N 3.45Å; R63-E65 VanDerWaalsContact O-N 3.11Å
64P68.2Low73.2Confident111 Ų111116.6 Ų116.672%0.72158%0.578SS**PPolyproline II helixtrans-52.212717918.8-29.6000107.5
65E68.4Low75.3Confident100 Ų100113.6 Ų113.647%0.46755%0.547SS..PPolyproline II helixtrans-55.3143.3-178.4-69-168.6155.300109.4R63 Q67 R207R63-E65 PolarHBondContact O-N 3.45Å; R63-E65 VanDerWaalsContact O-N 3.11Å; E65-Q67 WeakPolarHBondContact O-CG 3.49Å; E65-Q67 PolarHBondContact O-N 3.24Å; E65-R207 VanDerWaalsContact CD-NH2 3.34Å; E65-R207 IonicContact OE1-CZ 3.46Å; E65-R207 IonicContact OE1-NE 3.67Å; E65-R207 IonicContact OE1-NH2 2.69Å; E65-R207 PolarHBondContact OE1-NH2 3.07Å; E65-R207 WeakPolarHBondContact OE2-CD 3.35Å; E65-R207 IonicContact OE2-CZ 3.16Å; E65-R207 IonicContact OE2-NE 2.69Å; E65-R207 PolarHBondContact OE2-NE 2.96Å; E65-R207 IonicContact OE2-NH2 3.26Å; E65-R207 PolarHBondContact OE2-NH2 3.09Å
66P71.1Confident77.6Confident84 Ų84111.3 Ų111.355%0.54552%0.521SS..  trans-56.9113.3179.322-30.7000109.3
67Q86.2Confident79.6Confident126 Ų126100.3 Ų100.359%0.58948%0.479SS*.EExtended strand (participates in β ladder)trans-96.7120.9176.2-60.9-173.62.300108.9E65 M205 Y206E65-Q67 WeakPolarHBondContact O-CG 3.49Å; E65-Q67 PolarHBondContact O-N 3.24Å; Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.4Å; Q67-Y206 CarbonylContact C-O 3.58Å; Q67-Y206 WeakPolarHBondContact CA-O 3.27Å
68L92.8Very high81.8Confident37 Ų37102.4 Ų102.419%0.19446%0.463CS..EExtended strand (participates in β ladder)trans-82.9129.6174.2-59.5173.7000108.9G70 I107 P108 M205 Y206 E208L68-G70 PolarHBondContact O-N 2.82Å; L68-I107 HydrophobicContact CB-CG2 4.35Å; L68-I107 HydrophobicContact CD1-CG2 3.76Å; L68-P108 HydrophobicContact CB-CG 4.39Å; L68-P108 WeakPolarHBondContact CD1-O 3.45Å; L68-M205 WeakPolarHBondContact O-CA 3.38Å; L68-Y206 PolarHBondContact N-O 3.29Å; L68-Y206 PolarHBondContact O-N 3.29Å; L68-E208 HydrophobicContact CD1-CB 4.09Å; L68-E208 HydrophobicContact CD1-CG 4.24Å; L68-E208 HydrophobicContact CG-CB 4.47Å
69K95.8Very high83.9Confident147 Ų14793.4 Ų93.464%0.63943%0.431SS*.EExtended strand (participates in β ladder)trans-87.1101.1174.3-173.8178.5-177.7179.10109.4P108 V203 M205K69-P108 VanDerWaalsContact O-CG 3.3Å; K69-P108 WeakPolarHBondContact O-CG 3.48Å; K69-V203 HydrophobicContact CD-CG1 4.33Å; K69-V203 VanDerWaalsContact CE-CG1 3.44Å; K69-V203 HydrophobicContact CG-CG1 3.89Å; K69-M205 HydrophobicContact CB-CE 4.29Å; K69-M205 HydrophobicContact CB-SD 3.9Å; K69-M205 HydrophobicContact CG-SD 4Å
70G96.9Very high86Confident5 Ų584.9 Ų84.95%0.05240%0.4CS..EExtended strand (participates in β ladder)trans-110.8-164.2176.800000112.3L68 L106 A204L68-G70 PolarHBondContact O-N 2.82Å; G70-L106 VanDerWaalsContact CA-O 3.3Å; G70-L106 WeakPolarHBondContact CA-O 3.3Å; G70-A204 PolarHBondContact N-O 3.28Å; G70-A204 PolarHBondContact O-N 2.97Å; G70-A204 VanDerWaalsContact O-N 3.09Å
71I97.9Very high88.1Confident49 Ų4977 Ų7725%0.25136%0.36SS..EExtended strand (participates in β ladder)trans-136.5149.6177.563.6176.3000111.4T73 L106 L200 E202 V203 Y206I71-T73 HydrophobicContact CD1-CG2 4.2Å; I71-T73 HydrophobicContact CG1-CG2 4.3Å; I71-L106 HydrophobicContact CD1-CB 4.41Å; I71-L106 HydrophobicContact CD1-CD2 4.47Å; I71-L106 HydrophobicContact CG1-CB 3.73Å; I71-L106 PolarHBondContact N-O 2.75Å; I71-L106 VanDerWaalsContact N-O 3.12Å; I71-L106 PolarHBondContact O-N 2.95Å; I71-L200 HydrophobicContact CB-CD1 3.66Å; I71-L200 HydrophobicContact CD1-CD1 4.15Å; I71-L200 HydrophobicContact CG1-CD1 4.44Å; I71-L200 HydrophobicContact CG2-CD1 3.7Å; I71-E202 CarbonylContact C-O 3.51Å; I71-E202 WeakPolarHBondContact CA-O 3.38Å; I71-V203 HydrophobicContact CG2-CG2 4.3Å; I71-Y206 PolarHBondContact O-OH 3.39Å
72V98.4Very high89.8Confident10 Ų1068.7 Ų68.76%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-91.6126.3160.4-174.80000107.2Q103 F104 T119 I201 E202 A204 Y206V72-Q103 HydrophobicContact CG1-CB 4.49Å; V72-F104 CarbonylContact C-O 3.58Å; V72-F104 WeakPolarHBondContact CA-O 3.31Å; V72-T119 HydrophobicContact CG1-CG2 4.04Å; V72-I201 HydrophobicContact CB-CB 4.43Å; V72-I201 HydrophobicContact CG1-CB 4.32Å; V72-I201 HydrophobicContact CG1-CD1 4.08Å; V72-I201 WeakPolarHBondContact O-CB 3.47Å; V72-I201 PolarHBondContact O-N 3.26Å; V72-E202 HydrophobicContact CB-CG 3.79Å; V72-E202 HydrophobicContact CG2-CG 3.82Å; V72-E202 PolarHBondContact N-O 2.86Å; V72-E202 PolarHBondContact O-N 3.5Å; V72-A204 HydrophobicContact CG2-CB 4.26Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å
73T98.4Very high91.5Very high0 Ų059.8 Ų59.80%028%0.283CS..EExtended strand (participates in β ladder)trans-146.1160.5-175.1-173.90000111.3I71 L75 F104 L106 K199I71-T73 HydrophobicContact CD1-CG2 4.2Å; I71-T73 HydrophobicContact CG1-CG2 4.3Å; T73-L75 HydrophobicContact CG2-CD2 4.14Å; T73-F104 PolarHBondContact N-O 2.71Å; T73-F104 PolarHBondContact O-N 2.91Å; T73-L106 HydrophobicContact CG2-CB 4.31Å; T73-L106 HydrophobicContact CG2-CD1 3.66Å; T73-L106 HydrophobicContact CG2-CD2 4Å; T73-L106 HydrophobicContact CG2-CG 4.19Å; T73-K199 WeakPolarHBondContact CA-O 3.4Å; T73-K199 PolarHBondContact OG1-N 2.95Å; T73-K199 PolarHBondContact OG1-O 3.29Å
74R98.4Very high93.2Very high64 Ų6449.5 Ų49.524%0.24224%0.244CC..EExtended strand (participates in β ladder)trans-98.6146160-51.5-180178-178.7-8109.3Y82 E97 L102 P198 K199 I201R74-Y82 HydrophobicContact CB-CD1 3.87Å; R74-Y82 HydrophobicContact CB-CE1 4.03Å; R74-E97 PolarHBondContact NH1-O 3.45Å; R74-L102 WeakPolarHBondContact CA-O 3.4Å; R74-L102 HydrophobicContact CG-CB 4.18Å; R74-P198 WeakPolarHBondContact O-CA 3.12Å; R74-K199 HydrophobicContact CB-CB 4.35Å; R74-K199 PolarHBondContact N-O 3.33Å; R74-K199 PolarHBondContact O-N 3.41Å; R74-I201 HydrophobicContact CG-CD1 3.86Å; R74-I201 HydrophobicContact CG-CG1 4.5Å
75L98.5Very high94.6Very high2 Ų244.2 Ų44.21%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-107.1101.9178.9-65177.4000109.8T73 Y82 L83 L106 I116 Y157 F196 P198T73-L75 HydrophobicContact CG2-CD2 4.14Å; L75-Y82 WeakPolarHBondContact O-CA 3.34Å; L75-L83 HydrophobicContact CB-CB 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.01Å; L75-L83 PolarHBondContact O-N 3.09Å; L75-L106 HydrophobicContact CD1-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD2 4.4Å; L75-I116 HydrophobicContact CD1-CD1 4.26Å; L75-I116 HydrophobicContact CD1-CG2 4.17Å; L75-Y157 HydrophobicContact CD2-CE2 4.1Å; L75-F196 HydrophobicContact CB-CD1 4.1Å; L75-P198 HydrophobicContact CD2-CB 4.3Å; L75-P198 HydrophobicContact CD2-CG 4.29Å
76Y98.6Very high96Very high70 Ų7041.2 Ų41.228%0.27520%0.197SC..EExtended strand (participates in β ladder)trans-93.3113.7-178.4-177.1-107.1000111.2G80 Y82 F196 L197Y76-G80 WeakPolarHBondContact OH-CA 3.14Å; Y76-Y82 HydrophobicContact CD2-CD1 4Å; Y76-Y82 AromaticContact CD2-CD2 3.88Å; Y76-Y82 HydrophobicContact CD2-CD2 3.88Å; Y76-Y82 AromaticContact CD2-CE1 3.82Å; Y76-Y82 HydrophobicContact CD2-CE1 3.82Å; Y76-Y82 AromaticContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CG 4.06Å; Y76-Y82 AromaticContact CD2-CZ 3.66Å; Y76-Y82 HydrophobicContact CE2-CD2 4.31Å; Y76-Y82 AromaticContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CG-CE1 4.29Å; Y76-F196 CarbonylContact O-C 3.59Å; Y76-F196 WeakPolarHBondContact O-CA 3.43Å; Y76-L197 PolarHBondContact N-O 2.97Å; Y76-L197 PolarHBondContact O-N 2.83Å
77C98.4Very high97.2Very high0 Ų041.4 Ų41.40%020%0.199CC..EExtended strand (participates in β ladder)trans-73.3141.4175.8-179.20000111H79 G80 F81 I175 H195 F196C77-H79 PolarHBondContact O-N 2.9Å; C77-H79 PolarHBondContact SG-N 2.94Å; C77-G80 PolarHBondContact O-N 2.85Å; C77-F81 WeakPolarHBondContact CB-O 3.39Å; C77-F81 PolarHBondContact N-O 2.8Å; C77-I175 HydrophobicContact CB-CB 4.38Å; C77-I175 HydrophobicContact CB-CD1 4.1Å; C77-H195 CarbonylContact C-O 3.48Å; C77-H195 WeakPolarHBondContact CA-O 3.18Å; C77-F196 HydrophobicContact CB-CD1 4.06Å; C77-F196 HydrophobicContact CB-CE1 3.82Å; C77-F196 HydrophobicContact CB-CZ 4.44Å
78R98Very high97.7Very high121 Ų12140.9 Ų40.946%0.45720%0.2SC..THydrogen-bonded Turntrans-53.7-26.9174.9-178.7178.9-176.41804.8113.4G80 Y154 H195R78-G80 PolarHBondContact O-N 3.37Å; R78-Y154 HydrophobicContact CB-CD1 4.49Å; R78-Y154 HydrophobicContact CB-CE1 3.86Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.5Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 WeakPolarHBondContact CG-OH 3.2Å; R78-Y154 PolarHBondContact NE-OH 3Å; R78-H195 HydrophobicContact CB-CB 3.76Å; R78-H195 PolarHBondContact N-O 2.81Å; R78-H195 PolarHBondContact NH1-CE1 3.37Å; R78-H195 PolarHBondContact NH1-ND1 2.89Å
79H98.2Very high97.8Very high52 Ų5239.7 Ų39.724%0.24120%0.196CC..THydrogen-bonded Turntrans-72.50.4175.9-69.2165.8000114.5C77 F81 I175 N176 A193C77-H79 PolarHBondContact O-N 2.9Å; C77-H79 PolarHBondContact SG-N 2.94Å; H79-F81 HydrophobicContact CB-CD2 4.23Å; H79-F81 WeakPolarHBondContact O-CD2 3.46Å; H79-F81 WeakPolarHBondContact O-CE2 3.44Å; H79-I175 PolarHBondContact ND1-O 2.89Å; H79-N176 PolarHBondContact ND1-O 2.8Å; H79-A193 VanDerWaalsContact CE1-CA 3.4Å; H79-A193 WeakPolarHBondContact CE1-CA 3.37Å; H79-A193 PolarHBondContact CE1-N 2.68Å; H79-A193 PolarHBondContact NE2-N 3.42Å
80G98.2Very high97.8Very high20 Ų2035.6 Ų35.621%0.20618%0.184CC..THydrogen-bonded Turntrans97.420.5172.100000114.9Y76 C77 R78Y76-G80 WeakPolarHBondContact OH-CA 3.14Å; C77-G80 PolarHBondContact O-N 2.85Å; R78-G80 PolarHBondContact O-N 3.37Å
81F98.7Very high97.8Very high19 Ų1936.5 Ų36.58%0.08319%0.187CC..EExtended strand (participates in β ladder)trans-127.2143.6-176.9-61.2-91.4000110.7C77 H79 G93 T94 K95 I175 R177C77-F81 WeakPolarHBondContact CB-O 3.39Å; C77-F81 PolarHBondContact N-O 2.8Å; H79-F81 HydrophobicContact CB-CD2 4.23Å; H79-F81 WeakPolarHBondContact O-CD2 3.46Å; H79-F81 WeakPolarHBondContact O-CE2 3.44Å; F81-G93 WeakPolarHBondContact CD1-O 3.46Å; F81-T94 CarbonylContact C-O 3.58Å; F81-T94 WeakPolarHBondContact CA-O 3.42Å; F81-K95 HydrophobicContact CD1-CG 3.77Å; F81-K95 HydrophobicContact CE1-CD 4.21Å; F81-K95 HydrophobicContact CE1-CG 3.81Å; F81-I175 HydrophobicContact CB-CG2 4.45Å; F81-R177 WeakPolarHBondContact CE2-O 3.38Å
82Y98.6Very high97.8Very high6 Ų637.7 Ų37.72%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-83.5137.7163.8-67.5-90.2000109.7R74 L75 Y76 Q84 G93 T94 E97 L102 K199R74-Y82 HydrophobicContact CB-CD1 3.87Å; R74-Y82 HydrophobicContact CB-CE1 4.03Å; L75-Y82 WeakPolarHBondContact O-CA 3.34Å; Y76-Y82 HydrophobicContact CD2-CD1 4Å; Y76-Y82 AromaticContact CD2-CD2 3.88Å; Y76-Y82 HydrophobicContact CD2-CD2 3.88Å; Y76-Y82 AromaticContact CD2-CE1 3.82Å; Y76-Y82 HydrophobicContact CD2-CE1 3.82Å; Y76-Y82 AromaticContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CG 4.06Å; Y76-Y82 AromaticContact CD2-CZ 3.66Å; Y76-Y82 HydrophobicContact CE2-CD2 4.31Å; Y76-Y82 AromaticContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CG-CE1 4.29Å; Y82-Q84 PolarHBondContact O-N 3.06Å; Y82-G93 CarbonylContact O-C 3.53Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.48Å; Y82-T94 PolarHBondContact N-O 3.1Å; Y82-T94 PolarHBondContact O-N 3.03Å; Y82-E97 HydrophobicContact CD2-CG 4.44Å; Y82-E97 HydrophobicContact CE2-CB 4.35Å; Y82-E97 HydrophobicContact CE2-CG 3.63Å; Y82-E97 WeakPolarHBondContact CE2-OE1 3.42Å; Y82-E97 VanDerWaalsContact CZ-OE1 3.31Å; Y82-E97 PolarHBondContact OH-OE1 2.9Å; Y82-L102 HydrophobicContact CD1-CD1 4.44Å; Y82-L102 HydrophobicContact CD2-CD1 4.41Å; Y82-L102 HydrophobicContact CG-CD1 4.06Å; Y82-K199 HydrophobicContact CE1-CD 3.95Å; Y82-K199 PolarHBondContact OH-NZ 3.48Å
83L98.6Very high97.8Very high3 Ų337.7 Ų37.72%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-61.3134.7164-174.266.7000108.7L75 F104 I175 V181L75-L83 HydrophobicContact CB-CB 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.01Å; L75-L83 PolarHBondContact O-N 3.09Å; L83-F104 HydrophobicContact CB-CE2 4.21Å; L83-F104 HydrophobicContact CB-CZ 4.46Å; L83-F104 HydrophobicContact CD2-CE1 4.46Å; L83-F104 HydrophobicContact CD2-CE2 4.26Å; L83-F104 HydrophobicContact CD2-CZ 4.01Å; L83-F104 HydrophobicContact CG-CE2 4.18Å; L83-F104 HydrophobicContact CG-CZ 3.93Å; L83-F104 WeakPolarHBondContact O-CE2 3.46Å; L83-I175 HydrophobicContact CB-CD1 4.27Å; L83-I175 HydrophobicContact CD1-CD1 4.07Å; L83-V181 HydrophobicContact CD1-CG2 4.19Å
84Q97.9Very high97.8Very high13 Ų1339 Ų396%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-130.1142178.3-176.6172.711.900109.3Y82 L86 M91 E92 T94 S99 F101 L102Y82-Q84 PolarHBondContact O-N 3.06Å; Q84-L86 HydrophobicContact CG-CD2 4.07Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.28Å; Q84-M91 WeakPolarHBondContact O-CA 3.47Å; Q84-E92 PolarHBondContact N-O 3.42Å; Q84-E92 PolarHBondContact O-N 2.94Å; Q84-E92 VanDerWaalsContact O-N 3.11Å; Q84-T94 HydrophobicContact CB-CG2 4.02Å; Q84-T94 HydrophobicContact CG-CG2 4.45Å; Q84-S99 PolarHBondContact NE2-OG 2.94Å; Q84-F101 HydrophobicContact CG-CB 3.63Å; Q84-L102 HydrophobicContact CB-CD2 3.79Å; Q84-L102 HydrophobicContact CG-CD2 4.04Å
85M98.4Very high97.8Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-122.1110.7169.5-177.8-177.7-64.300109.8T90 M91 F101 F104 S118 T121 L123 V125 T135M85-T90 WeakPolarHBondContact CA-O 3.31Å; M85-M91 HydrophobicContact CB-CG 4.49Å; M85-M91 HydrophobicContact CE-CG 4.14Å; M85-M91 HydrophobicContact CE-SD 3.97Å; M85-M91 HydrophobicContact CG-CG 4.34Å; M85-F101 PolarHBondContact N-O 2.76Å; M85-F101 WeakPolarHBondContact O-CB 3.47Å; M85-F104 HydrophobicContact CB-CE1 4.04Å; M85-F104 HydrophobicContact CB-CZ 4.14Å; M85-F104 HydrophobicContact CE-CE1 4.27Å; M85-S118 WeakPolarHBondContact SD-CB 3.28Å; M85-T121 PolarHBondContact SD-OG1 3.43Å; M85-T121 VanDerWaalsContact SD-OG1 3.35Å; M85-L123 HydrophobicContact SD-CB 3.76Å; M85-L123 HydrophobicContact SD-CD1 4.44Å; M85-V125 HydrophobicContact CE-CG2 3.66Å; M85-T135 HydrophobicContact CE-CG2 3.53Å; M85-T135 HydrophobicContact CG-CG2 4.17Å; M85-T135 HydrophobicContact SD-CG2 3.76Å
86L97.6Very high97.7Very high38 Ų3846.4 Ų46.420%0.19924%0.239CC..  trans-75.8161.6-179.4-64.8-179.4000111.8Q84 D88 G89 T90 F101Q84-L86 HydrophobicContact CG-CD2 4.07Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.28Å; L86-D88 WeakPolarHBondContact CB-OD1 3.32Å; L86-D88 PolarHBondContact O-N 3.17Å; L86-G89 PolarHBondContact O-N 3.44Å; L86-T90 HydrophobicContact CD1-CG2 4.4Å; L86-T90 PolarHBondContact N-O 2.92Å; L86-F101 HydrophobicContact CD2-CD2 4.27Å
87P96.7Very high97.6Very high88 Ų8847.9 Ų47.957%0.57125%0.248SC*.THydrogen-bonded Turntrans-59.1-27.3180-26.135.1000115.2G89 F101P87-G89 PolarHBondContact O-N 3.34Å; P87-F101 HydrophobicContact CG-CD1 4.4Å; P87-F101 HydrophobicContact CG-CE1 3.49Å; P87-F101 VanDerWaalsContact CG-CE1 3.49Å; P87-F101 HydrophobicContact CG-CE2 4.44Å; P87-F101 HydrophobicContact CG-CZ 3.51Å
88D96Very high97.4Very high114 Ų11452.8 Ų52.861%0.6128%0.282SS*.THydrogen-bonded Turntrans-77.2-1.3176.467.3-19.5000113.1L86 T90L86-D88 WeakPolarHBondContact CB-OD1 3.32Å; L86-D88 PolarHBondContact O-N 3.17Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.22Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.18Å; D88-T90 PolarHBondContact OD1-OG1 2.95Å; D88-T90 WeakPolarHBondContact OD2-CB 3.41Å; D88-T90 PolarHBondContact OD2-OG1 3.17Å
89G94.6Very high97.2Very high12 Ų1247.5 Ų47.512%0.12426%0.264CS..SBendtrans85.8-0.4-175.200000113.7L86 P87 M91 T135L86-G89 PolarHBondContact O-N 3.44Å; P87-G89 PolarHBondContact O-N 3.34Å; G89-M91 PolarHBondContact O-N 3.16Å; G89-T135 WeakPolarHBondContact O-CG2 3.44Å
90T97.3Very high97Very high61 Ų6147.6 Ų47.637%0.37427%0.27SS..  trans-67131177.5-63.60000110.2M85 L86 D88M85-T90 WeakPolarHBondContact CA-O 3.31Å; L86-T90 HydrophobicContact CD1-CG2 4.4Å; L86-T90 PolarHBondContact N-O 2.92Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.22Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.18Å; D88-T90 PolarHBondContact OD1-OG1 2.95Å; D88-T90 WeakPolarHBondContact OD2-CB 3.41Å; D88-T90 PolarHBondContact OD2-OG1 3.17Å
91M97.4Very high97Very high24 Ų2449.3 Ų49.312%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-108.6126174.6-69.1-174.5-7000110.5Q84 M85 G89 V125 L133 Y134 T135 V181Q84-M91 WeakPolarHBondContact O-CA 3.47Å; M85-M91 HydrophobicContact CB-CG 4.49Å; M85-M91 HydrophobicContact CE-CG 4.14Å; M85-M91 HydrophobicContact CE-SD 3.97Å; M85-M91 HydrophobicContact CG-CG 4.34Å; G89-M91 PolarHBondContact O-N 3.16Å; M91-V125 HydrophobicContact CE-CG1 4.46Å; M91-V125 HydrophobicContact SD-CB 4.34Å; M91-V125 HydrophobicContact SD-CG1 3.91Å; M91-V125 HydrophobicContact SD-CG2 3.91Å; M91-L133 HydrophobicContact CE-CB 3.63Å; M91-Y134 VanDerWaalsContact CE-C 3.48Å; M91-Y134 WeakPolarHBondContact CE-O 3.24Å; M91-T135 HydrophobicContact CE-CG2 4.22Å; M91-T135 HydrophobicContact CG-CG2 3.98Å; M91-T135 HydrophobicContact SD-CG2 4.1Å; M91-V181 HydrophobicContact CB-CG2 4.1Å; M91-V181 VanDerWaalsContact O-CG2 3.24Å; M91-V181 WeakPolarHBondContact O-CG2 3.15Å
92E97.5Very high97Very high75 Ų7548.4 Ų48.435%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-147.5175.7-18064.9179.4-17300111.6Q84Q84-E92 PolarHBondContact N-O 3.42Å; Q84-E92 PolarHBondContact O-N 2.94Å; Q84-E92 VanDerWaalsContact O-N 3.11Å
93G98.3Very high97Very high10 Ų1050.5 Ų50.510%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-104.7125.517200000110.3F81 Y82 G179F81-G93 WeakPolarHBondContact CD1-O 3.46Å; Y82-G93 CarbonylContact O-C 3.53Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.48Å; G93-G179 WeakPolarHBondContact CA-O 3.44Å; G93-G179 PolarHBondContact N-O 3.47Å
94T98.2Very high97Very high26 Ų2650.4 Ų50.416%0.1628%0.278CS..EExtended strand (participates in β ladder)trans-119.2155.8175.8-171.40000112.1F81 Y82 Q84 D96 L102F81-T94 CarbonylContact C-O 3.58Å; F81-T94 WeakPolarHBondContact CA-O 3.42Å; Y82-T94 PolarHBondContact N-O 3.1Å; Y82-T94 PolarHBondContact O-N 3.03Å; Q84-T94 HydrophobicContact CB-CG2 4.02Å; Q84-T94 HydrophobicContact CG-CG2 4.45Å; T94-D96 PolarHBondContact OG1-N 3.32Å; T94-D96 VanDerWaalsContact OG1-N 3.16Å; T94-L102 HydrophobicContact CG2-CD2 3.47Å; T94-L102 VanDerWaalsContact CG2-CD2 3.47Å
95K97.8Very high97Very high148 Ų14850.8 Ų50.864%0.64328%0.28SS*.  trans-95.3-11.5170-65.6-178.3179.6175.10112.5F81 E97F81-K95 HydrophobicContact CD1-CG 3.77Å; F81-K95 HydrophobicContact CE1-CD 4.21Å; F81-K95 HydrophobicContact CE1-CG 3.81Å; K95-E97 PolarHBondContact O-N 3.3Å; K95-E97 VanDerWaalsContact O-N 3.13Å
96D96.9Very high97Very high74 Ų7451.2 Ų51.240%0.39628%0.282SS..  trans-72.2103.8179.1173.322.2000110.2T94 S98 S99 L102T94-D96 PolarHBondContact OG1-N 3.32Å; T94-D96 VanDerWaalsContact OG1-N 3.16Å; D96-S98 PolarHBondContact O-N 2.9Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 2.84Å; D96-S98 PolarHBondContact OD1-OG 3.39Å; D96-S98 PolarHBondContact OD2-OG 3.27Å; D96-S99 PolarHBondContact OD2-N 3.45Å; D96-L102 WeakPolarHBondContact O-CD1 3.37Å
97E95.7Very high97Very high102 Ų10249.5 Ų49.548%0.47727%0.274SS..THydrogen-bonded Turntrans-74.6-14179.6-48.5-154.2134.300113.8R74 Y82 K95R74-E97 PolarHBondContact NH1-O 3.45Å; Y82-E97 HydrophobicContact CD2-CG 4.44Å; Y82-E97 HydrophobicContact CE2-CB 4.35Å; Y82-E97 HydrophobicContact CE2-CG 3.63Å; Y82-E97 WeakPolarHBondContact CE2-OE1 3.42Å; Y82-E97 VanDerWaalsContact CZ-OE1 3.31Å; Y82-E97 PolarHBondContact OH-OE1 2.9Å; K95-E97 PolarHBondContact O-N 3.3Å; K95-E97 VanDerWaalsContact O-N 3.13Å
98S94.1Very high97.1Very high102 Ų10247.5 Ų47.571%0.71326%0.26SS*.THydrogen-bonded Turntrans-85.7-13.9-178.775.90000112.6D96 S100D96-S98 PolarHBondContact O-N 2.9Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 2.84Å; D96-S98 PolarHBondContact OD1-OG 3.39Å; D96-S98 PolarHBondContact OD2-OG 3.27Å; S98-S100 PolarHBondContact O-N 2.81Å
99S94.8Very high97.1Very high10 Ų1043.6 Ų43.67%0.0724%0.24CC..  trans-56.2130.3178.4175.20000111.7Q84 D96 F101 L102Q84-S99 PolarHBondContact NE2-OG 2.94Å; D96-S99 PolarHBondContact OD2-N 3.45Å; S99-F101 PolarHBondContact O-N 3.18Å; S99-F101 PolarHBondContact OG-N 3.09Å; S99-L102 WeakPolarHBondContact O-CG 3.26Å
100S94.3Very high97.2Very high54 Ų5444.8 Ų44.838%0.37825%0.253SS..G310 helixtrans-73.9-12.7177.981.90000112.9S98 L102 K120S98-S100 PolarHBondContact O-N 2.81Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.38Å; S100-K120 WeakPolarHBondContact O-CE 3.31Å; S100-K120 VanDerWaalsContact O-CG 3.22Å; S100-K120 WeakPolarHBondContact O-CG 3.13Å
101F97.6Very high97.2Very high56 Ų5649.6 Ų49.625%0.24628%0.275CS..G310 helixtrans-898.5-175.4-60.6-65.8000114.3Q84 M85 L86 P87 S99 K120Q84-F101 HydrophobicContact CG-CB 3.63Å; M85-F101 PolarHBondContact N-O 2.76Å; M85-F101 WeakPolarHBondContact O-CB 3.47Å; L86-F101 HydrophobicContact CD2-CD2 4.27Å; P87-F101 HydrophobicContact CG-CD1 4.4Å; P87-F101 HydrophobicContact CG-CE1 3.49Å; P87-F101 VanDerWaalsContact CG-CE1 3.49Å; P87-F101 HydrophobicContact CG-CE2 4.44Å; P87-F101 HydrophobicContact CG-CZ 3.51Å; S99-F101 PolarHBondContact O-N 3.18Å; S99-F101 PolarHBondContact OG-N 3.09Å; F101-K120 HydrophobicContact CD1-CB 4.01Å; F101-K120 HydrophobicContact CD1-CG 4.09Å; F101-K120 HydrophobicContact CE1-CB 4.27Å; F101-K120 HydrophobicContact CE1-CG 4.49Å
102L98.3Very high97.2Very high0 Ų055.7 Ų55.70%030%0.297CS..G310 helixtrans-91.5-5.9-179.5-51.7-178.5000113.8R74 Y82 Q84 T94 D96 S99 S100 F104R74-L102 WeakPolarHBondContact CA-O 3.4Å; R74-L102 HydrophobicContact CG-CB 4.18Å; Y82-L102 HydrophobicContact CD1-CD1 4.44Å; Y82-L102 HydrophobicContact CD2-CD1 4.41Å; Y82-L102 HydrophobicContact CG-CD1 4.06Å; Q84-L102 HydrophobicContact CB-CD2 3.79Å; Q84-L102 HydrophobicContact CG-CD2 4.04Å; T94-L102 HydrophobicContact CG2-CD2 3.47Å; T94-L102 VanDerWaalsContact CG2-CD2 3.47Å; D96-L102 WeakPolarHBondContact O-CD1 3.37Å; S99-L102 WeakPolarHBondContact O-CG 3.26Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.38Å; L102-F104 VanDerWaalsContact O-CD2 3.3Å; L102-F104 WeakPolarHBondContact O-CD2 3.49Å; L102-F104 WeakPolarHBondContact O-CE2 3.29Å
103Q98.3Very high97.2Very high51 Ų5154.1 Ų54.124%0.23829%0.291CS..  trans-90.7125.6-172.6-67.3-176.9-26.700110.1V72 T119 I201V72-Q103 HydrophobicContact CG1-CB 4.49Å; Q103-T119 HydrophobicContact CB-CG2 3.95Å; Q103-T119 WeakPolarHBondContact CB-OG1 3.5Å; Q103-T119 PolarHBondContact O-N 2.98Å; Q103-T119 PolarHBondContact O-OG1 3.24Å; Q103-I201 HydrophobicContact CG-CD1 3.74Å
104F98.7Very high97.2Very high1 Ų154 Ų540%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-126.1140178-62.3-87.6000111.3V72 T73 L83 M85 L102 L106 I116 Q117 V125V72-F104 CarbonylContact C-O 3.58Å; V72-F104 WeakPolarHBondContact CA-O 3.31Å; T73-F104 PolarHBondContact N-O 2.71Å; T73-F104 PolarHBondContact O-N 2.91Å; L83-F104 HydrophobicContact CB-CE2 4.21Å; L83-F104 HydrophobicContact CB-CZ 4.46Å; L83-F104 HydrophobicContact CD2-CE1 4.46Å; L83-F104 HydrophobicContact CD2-CE2 4.26Å; L83-F104 HydrophobicContact CD2-CZ 4.01Å; L83-F104 HydrophobicContact CG-CE2 4.18Å; L83-F104 HydrophobicContact CG-CZ 3.93Å; L83-F104 WeakPolarHBondContact O-CE2 3.46Å; M85-F104 HydrophobicContact CB-CE1 4.04Å; M85-F104 HydrophobicContact CB-CZ 4.14Å; M85-F104 HydrophobicContact CE-CE1 4.27Å; L102-F104 VanDerWaalsContact O-CD2 3.3Å; L102-F104 WeakPolarHBondContact O-CD2 3.49Å; L102-F104 WeakPolarHBondContact O-CE2 3.29Å; F104-L106 HydrophobicContact CB-CD1 4.27Å; F104-I116 HydrophobicContact CB-CG2 4.02Å; F104-I116 HydrophobicContact CD1-CG2 3.73Å; F104-I116 HydrophobicContact CG-CG2 4.02Å; F104-Q117 CarbonylContact C-O 3.53Å; F104-Q117 WeakPolarHBondContact CA-O 3.41Å; F104-V125 HydrophobicContact CE1-CG2 4.45Å
105N98.5Very high97.3Very high21 Ų2152.7 Ų52.711%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-78.1117.6161.7-59.9-41.7000108.4I107 I116 Q117 T119 Y206N105-I107 HydrophobicContact CB-CD1 4.19Å; N105-I107 HydrophobicContact CB-CG1 3.98Å; N105-I116 WeakPolarHBondContact O-CA 3.36Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.5Å; N105-Q117 PolarHBondContact ND2-OE1 3.21Å; N105-Q117 PolarHBondContact O-N 3.12Å; N105-T119 WeakPolarHBondContact OD1-CG2 3.3Å; N105-Y206 HydrophobicContact CB-CE1 3.66Å; N105-Y206 WeakPolarHBondContact CB-OH 3.08Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.22Å; N105-Y206 PolarHBondContact OD1-OH 3.19Å
106L98.4Very high97.3Very high8 Ų845.7 Ų45.74%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-96.9101.4167.1-105.265.3000108.4G70 I71 T73 L75 F104 I116 Y157G70-L106 VanDerWaalsContact CA-O 3.3Å; G70-L106 WeakPolarHBondContact CA-O 3.3Å; I71-L106 HydrophobicContact CD1-CB 4.41Å; I71-L106 HydrophobicContact CD1-CD2 4.47Å; I71-L106 HydrophobicContact CG1-CB 3.73Å; I71-L106 PolarHBondContact N-O 2.75Å; I71-L106 VanDerWaalsContact N-O 3.12Å; I71-L106 PolarHBondContact O-N 2.95Å; T73-L106 HydrophobicContact CG2-CB 4.31Å; T73-L106 HydrophobicContact CG2-CD1 3.66Å; T73-L106 HydrophobicContact CG2-CD2 4Å; T73-L106 HydrophobicContact CG2-CG 4.19Å; L75-L106 HydrophobicContact CD1-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD2 4.4Å; F104-L106 HydrophobicContact CB-CD1 4.27Å; L106-I116 HydrophobicContact CD1-CB 4.42Å; L106-I116 HydrophobicContact CD1-CG1 3.98Å; L106-I116 HydrophobicContact CD1-CG2 4.04Å; L106-I116 HydrophobicContact CG-CG1 4.43Å; L106-Y157 HydrophobicContact CD2-CE1 4.33Å; L106-Y157 WeakPolarHBondContact CD2-OH 3.39Å
107I98.3Very high97.4Very high3 Ų343.7 Ų43.72%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-102.9119-172.8-52.2174000108.4L68 N105 V109 V114 A115 Y206 P209L68-I107 HydrophobicContact CB-CG2 4.35Å; L68-I107 HydrophobicContact CD1-CG2 3.76Å; N105-I107 HydrophobicContact CB-CD1 4.19Å; N105-I107 HydrophobicContact CB-CG1 3.98Å; I107-V109 HydrophobicContact CG2-CG1 4.21Å; I107-V109 PolarHBondContact O-N 2.82Å; I107-V114 CarbonylContact O-C 3.57Å; I107-V114 VanDerWaalsContact O-CA 3.28Å; I107-V114 WeakPolarHBondContact O-CA 3.47Å; I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 2.75Å; I107-A115 PolarHBondContact O-N 3.03Å; I107-Y206 HydrophobicContact CD1-CD1 3.91Å; I107-Y206 HydrophobicContact CD1-CE1 4.39Å; I107-Y206 HydrophobicContact CD1-CG 4.08Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 3.98Å; I107-Y206 HydrophobicContact CG1-CE1 4.28Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.84Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.31Å; I107-P209 HydrophobicContact CD1-CG 4.46Å; I107-P209 HydrophobicContact CG2-CG 4.4Å
108P97.9Very high97.5Very high45 Ų4538.8 Ų38.829%0.29222%0.215SC..EExtended strand (participates in β ladder)trans-74.3110.9178.329.5-33.3000110.2L68 K69L68-P108 HydrophobicContact CB-CG 4.39Å; L68-P108 WeakPolarHBondContact CD1-O 3.45Å; K69-P108 VanDerWaalsContact O-CG 3.3Å; K69-P108 WeakPolarHBondContact O-CG 3.48Å
109V97.1Very high97.7Very high32 Ų3236.2 Ų36.219%0.19420%0.195CC..EExtended strand (participates in β ladder)trans-108.111.4-178.3-62.60000112.4I107 I113 A115 F139 K144 P209I107-V109 HydrophobicContact CG2-CG1 4.21Å; I107-V109 PolarHBondContact O-N 2.82Å; V109-I113 HydrophobicContact CG2-CB 4.38Å; V109-I113 HydrophobicContact CG2-CG2 3.74Å; V109-I113 PolarHBondContact N-O 2.86Å; V109-A115 HydrophobicContact CG1-CB 3.93Å; V109-A115 HydrophobicContact CG2-CB 4.44Å; V109-F139 HydrophobicContact CB-CZ 4.04Å; V109-F139 HydrophobicContact CG1-CE1 4.45Å; V109-F139 HydrophobicContact CG1-CE2 4.36Å; V109-F139 HydrophobicContact CG1-CZ 3.82Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; V109-K144 HydrophobicContact CG2-CG 4.18Å; V109-P209 HydrophobicContact CG1-CG 4.38Å
110G96.3Very high97.8Very high37 Ų3740.8 Ų40.838%0.38121%0.214SC..EExtended strand (participates in β ladder)trans170.7176.917700000111.7R112 I113G110-R112 PolarHBondContact O-N 2.97Å; G110-I113 PolarHBondContact N-O 3.2Å; G110-I113 PolarHBondContact O-N 2.97Å; G110-I113 VanDerWaalsContact O-N 3.09Å
111L96.6Very high97.9Very high162 Ų16240.3 Ų40.385%0.84821%0.208SC*.THydrogen-bonded Turntrans-62.8108.5177.4179.864.3000110.3I113L111-I113 PolarHBondContact O-N 3.18Å
112R97.4Very high97.9Very high152 Ų15239 Ų3957%0.57421%0.211SC*.THydrogen-bonded Turntrans58.527.1-174.9-57.1-61.7-171.3175.80.9113.4G110 K146 E147G110-R112 PolarHBondContact O-N 2.97Å; R112-K146 CarbonylContact O-C 3.59Å; R112-K146 VanDerWaalsContact O-CA 3.31Å; R112-K146 WeakPolarHBondContact O-CA 3.38Å; R112-E147 HydrophobicContact CB-CG 4.27Å; R112-E147 IonicContact NH1-OE1 3.55Å; R112-E147 WeakPolarHBondContact O-CG 3.37Å; R112-E147 PolarHBondContact O-N 3.48Å
113I98.5Very high97.9Very high42 Ų4240.4 Ų40.422%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-120126.4174.9-56.5174.2000107.7V109 G110 L111 K144 F145 I160V109-I113 HydrophobicContact CG2-CB 4.38Å; V109-I113 HydrophobicContact CG2-CG2 3.74Å; V109-I113 PolarHBondContact N-O 2.86Å; G110-I113 PolarHBondContact N-O 3.2Å; G110-I113 PolarHBondContact O-N 2.97Å; G110-I113 VanDerWaalsContact O-N 3.09Å; L111-I113 PolarHBondContact O-N 3.18Å; I113-K144 HydrophobicContact CG2-CB 3.82Å; I113-K144 HydrophobicContact CG2-CG 4.35Å; I113-F145 CarbonylContact C-O 3.56Å; I113-F145 WeakPolarHBondContact CA-O 3.41Å; I113-I160 HydrophobicContact CD1-CG2 4.3Å; I113-I160 HydrophobicContact CG1-CG2 4.37Å; I113-I160 HydrophobicContact CG2-CG2 4.27Å
114V98.6Very high97.9Very high7 Ų739.1 Ų39.14%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-120.7146.4-179.9-63.50000110.5I107 I116 F145 E147 Y157I107-V114 CarbonylContact O-C 3.57Å; I107-V114 VanDerWaalsContact O-CA 3.28Å; I107-V114 WeakPolarHBondContact O-CA 3.47Å; V114-I116 HydrophobicContact CG2-CG1 4.31Å; V114-F145 HydrophobicContact CG2-CB 4.47Å; V114-F145 PolarHBondContact N-O 3.26Å; V114-F145 PolarHBondContact O-N 2.69Å; V114-E147 HydrophobicContact CG1-CG 4.08Å; V114-E147 HydrophobicContact CG2-CB 4.4Å; V114-Y157 HydrophobicContact CG2-CD1 3.86Å; V114-Y157 HydrophobicContact CG2-CE1 3.83Å
115A98.6Very high97.9Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-94.1141.7157.500000108.1I107 V109 Y124 F139I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 2.75Å; I107-A115 PolarHBondContact O-N 3.03Å; V109-A115 HydrophobicContact CG1-CB 3.93Å; V109-A115 HydrophobicContact CG2-CB 4.44Å; A115-Y124 HydrophobicContact CB-CD1 4.22Å; A115-Y124 HydrophobicContact CB-CE1 4.2Å; A115-F139 HydrophobicContact CB-CD2 4.14Å; A115-F139 HydrophobicContact CB-CE2 3.57Å; A115-F139 HydrophobicContact CB-CZ 4.38Å
116I98.8Very high97.9Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-116.1116.3177.7-55.5173.4000106.6L75 F104 N105 L106 V114 Y124 V125 F145 Y157 I173L75-I116 HydrophobicContact CD1-CD1 4.26Å; L75-I116 HydrophobicContact CD1-CG2 4.17Å; F104-I116 HydrophobicContact CB-CG2 4.02Å; F104-I116 HydrophobicContact CD1-CG2 3.73Å; F104-I116 HydrophobicContact CG-CG2 4.02Å; N105-I116 WeakPolarHBondContact O-CA 3.36Å; L106-I116 HydrophobicContact CD1-CB 4.42Å; L106-I116 HydrophobicContact CD1-CG1 3.98Å; L106-I116 HydrophobicContact CD1-CG2 4.04Å; L106-I116 HydrophobicContact CG-CG1 4.43Å; V114-I116 HydrophobicContact CG2-CG1 4.31Å; I116-Y124 WeakPolarHBondContact O-CA 3.28Å; I116-V125 HydrophobicContact CB-CB 4.2Å; I116-V125 HydrophobicContact CB-CG2 4.12Å; I116-V125 HydrophobicContact CG2-CB 4.45Å; I116-V125 HydrophobicContact CG2-CG2 3.83Å; I116-V125 PolarHBondContact O-N 2.88Å; I116-F145 HydrophobicContact CD1-CD2 4.23Å; I116-F145 HydrophobicContact CG1-CD2 4.45Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CG 4.25Å; I116-I173 HydrophobicContact CD1-CD1 3.86Å
117Q98.6Very high97.9Very high32 Ų3237.7 Ų37.715%0.1520%0.204CC..EExtended strand (participates in β ladder)trans-125.3135.3-177.4-171.6-166.132.300109.9F104 N105 G122 L123 Y124F104-Q117 CarbonylContact C-O 3.53Å; F104-Q117 WeakPolarHBondContact CA-O 3.41Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.5Å; N105-Q117 PolarHBondContact ND2-OE1 3.21Å; N105-Q117 PolarHBondContact O-N 3.12Å; Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.49Å; Q117-L123 CarbonylContact C-O 3.55Å; Q117-L123 WeakPolarHBondContact CA-O 3.32Å; Q117-L123 WeakPolarHBondContact CG-O 3.46Å; Q117-Y124 HydrophobicContact CB-CD1 3.77Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.48Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.96Å; Q117-Y124 HydrophobicContact CG-CG 4.38Å
118S98.3Very high97.9Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-67.2132.9172.5170.50000110.4M85 K120 T121 G122 L123M85-S118 WeakPolarHBondContact SD-CB 3.28Å; S118-K120 PolarHBondContact O-N 2.93Å; S118-K120 PolarHBondContact OG-N 2.9Å; S118-T121 WeakPolarHBondContact CB-OG1 3.43Å; S118-T121 PolarHBondContact OG-N 2.85Å; S118-T121 PolarHBondContact OG-OG1 3.17Å; S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.31Å; S118-L123 PolarHBondContact N-O 3.1Å
119T97.5Very high97.9Very high47 Ų4740.8 Ų40.829%0.28822%0.224SC..THydrogen-bonded Turntrans-71.3-23.3175.765.10000112.5V72 Q103 N105V72-T119 HydrophobicContact CG1-CG2 4.04Å; Q103-T119 HydrophobicContact CB-CG2 3.95Å; Q103-T119 WeakPolarHBondContact CB-OG1 3.5Å; Q103-T119 PolarHBondContact O-N 2.98Å; Q103-T119 PolarHBondContact O-OG1 3.24Å; N105-T119 WeakPolarHBondContact OD1-CG2 3.3Å
120K97.1Very high98Very high107 Ų10744.4 Ų44.447%0.46524%0.239SC..THydrogen-bonded Turntrans-87.8-44.8-175.7-63.6-55.3-173.9-179.50113S100 F101 S118S100-K120 WeakPolarHBondContact O-CE 3.31Å; S100-K120 VanDerWaalsContact O-CG 3.22Å; S100-K120 WeakPolarHBondContact O-CG 3.13Å; F101-K120 HydrophobicContact CD1-CB 4.01Å; F101-K120 HydrophobicContact CD1-CG 4.09Å; F101-K120 HydrophobicContact CE1-CB 4.27Å; F101-K120 HydrophobicContact CE1-CG 4.49Å; S118-K120 PolarHBondContact O-N 2.93Å; S118-K120 PolarHBondContact OG-N 2.9Å
121T96.9Very high98Very high43 Ų4342.7 Ų42.726%0.26422%0.221SC..THydrogen-bonded Turntrans-97.8-18.6-176.161.30000112.5M85 S118 L123M85-T121 PolarHBondContact SD-OG1 3.43Å; M85-T121 VanDerWaalsContact SD-OG1 3.35Å; S118-T121 WeakPolarHBondContact CB-OG1 3.43Å; S118-T121 PolarHBondContact OG-N 2.85Å; S118-T121 PolarHBondContact OG-OG1 3.17Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 PolarHBondContact OG1-N 2.75Å
122G97.1Very high98.1Very high30 Ų3040.6 Ų40.631%0.30920%0.202SC..  trans72.10.1-17300000114Q117 S118Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.49Å; S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.31Å
123L98.4Very high98.2Very high28 Ų2834.6 Ų34.615%0.14718%0.181CC..PPolyproline II helixtrans-77.1142.8179.1-58.5174.4000111.1M85 Q117 S118 T121 T135 E137M85-L123 HydrophobicContact SD-CB 3.76Å; M85-L123 HydrophobicContact SD-CD1 4.44Å; Q117-L123 CarbonylContact C-O 3.55Å; Q117-L123 WeakPolarHBondContact CA-O 3.32Å; Q117-L123 WeakPolarHBondContact CG-O 3.46Å; S118-L123 PolarHBondContact N-O 3.1Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 PolarHBondContact OG1-N 2.75Å; L123-T135 HydrophobicContact CD1-CG2 4.45Å; L123-E137 HydrophobicContact CD2-CB 4.23Å; L123-E137 HydrophobicContact CD2-CG 3.46Å; L123-E137 VanDerWaalsContact CD2-CG 3.46Å
124Y98.7Very high98.2Very high24 Ų2435.8 Ų35.89%0.09418%0.184CC..EExtended strand (participates in β ladder)trans-84.5142171.9-66.2-83.7000110.9A115 I116 Q117 T135 S136 F139A115-Y124 HydrophobicContact CB-CD1 4.22Å; A115-Y124 HydrophobicContact CB-CE1 4.2Å; I116-Y124 WeakPolarHBondContact O-CA 3.28Å; Q117-Y124 HydrophobicContact CB-CD1 3.77Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.48Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.96Å; Q117-Y124 HydrophobicContact CG-CG 4.38Å; Y124-T135 CarbonylContact O-C 3.5Å; Y124-T135 VanDerWaalsContact O-CA 3.3Å; Y124-T135 WeakPolarHBondContact O-CA 3.35Å; Y124-S136 PolarHBondContact N-O 3.37Å; Y124-S136 PolarHBondContact O-N 3.42Å; Y124-F139 HydrophobicContact CD1-CD2 4.16Å; Y124-F139 HydrophobicContact CD2-CB 4.36Å; Y124-F139 HydrophobicContact CE1-CB 4.48Å; Y124-F139 HydrophobicContact CE1-CD2 4.09Å; Y124-F139 HydrophobicContact CE2-CB 3.97Å
125V98.7Very high98.2Very high1 Ų137.2 Ų37.21%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-70.8134161.8-1780000107.6M85 M91 F104 I116 L133 C143 F145 I173M85-V125 HydrophobicContact CE-CG2 3.66Å; M91-V125 HydrophobicContact CE-CG1 4.46Å; M91-V125 HydrophobicContact SD-CB 4.34Å; M91-V125 HydrophobicContact SD-CG1 3.91Å; M91-V125 HydrophobicContact SD-CG2 3.91Å; F104-V125 HydrophobicContact CE1-CG2 4.45Å; I116-V125 HydrophobicContact CB-CB 4.2Å; I116-V125 HydrophobicContact CB-CG2 4.12Å; I116-V125 HydrophobicContact CG2-CB 4.45Å; I116-V125 HydrophobicContact CG2-CG2 3.83Å; I116-V125 PolarHBondContact O-N 2.88Å; V125-L133 HydrophobicContact CG1-CD2 4.24Å; V125-C143 WeakPolarHBondContact O-CA 3.4Å; V125-F145 HydrophobicContact CB-CE2 4.25Å; V125-F145 HydrophobicContact CG1-CE2 4.05Å; V125-F145 HydrophobicContact CG1-CZ 4.05Å; V125-F145 VanDerWaalsContact O-CE2 3.31Å; V125-F145 WeakPolarHBondContact O-CE2 3.4Å; V125-I173 HydrophobicContact CG1-CD1 4.15Å
126A98.7Very high98.1Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-138.8156.8177.400000110.9L133 Y134 E142A126-L133 WeakPolarHBondContact O-CA 3.5Å; A126-L133 WeakPolarHBondContact O-CD2 3.47Å; A126-Y134 HydrophobicContact CB-CD1 3.99Å; A126-Y134 HydrophobicContact CB-CD2 4.26Å; A126-Y134 HydrophobicContact CB-CE1 3.46Å; A126-Y134 VanDerWaalsContact CB-CE1 3.46Å; A126-Y134 HydrophobicContact CB-CE2 3.75Å; A126-Y134 HydrophobicContact CB-CG 4.36Å; A126-Y134 PolarHBondContact N-O 3.22Å; A126-Y134 PolarHBondContact O-N 2.85Å; A126-E142 WeakPolarHBondContact CA-O 3.23Å; A126-E142 HydrophobicContact CB-CB 4.27Å
127M98.8Very high98Very high0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-126.3123.3175.7-173.7179.2-67.500109.9Y132 L133 E142 F145 Y162 W171 I173M127-Y132 WeakPolarHBondContact CA-O 2.98Å; M127-L133 HydrophobicContact CB-CD2 3.78Å; M127-L133 HydrophobicContact CE-CD2 3.58Å; M127-L133 HydrophobicContact CE-CG 4.14Å; M127-L133 HydrophobicContact CG-CD2 4.17Å; M127-E142 PolarHBondContact N-O 3.11Å; M127-E142 VanDerWaalsContact N-O 3.1Å; M127-E142 WeakPolarHBondContact O-CB 3.25Å; M127-F145 HydrophobicContact CB-CE1 4.01Å; M127-F145 HydrophobicContact CB-CZ 4.25Å; M127-F145 HydrophobicContact CE-CE1 4.38Å; M127-Y162 WeakPolarHBondContact O-CD2 3.46Å; M127-Y162 WeakPolarHBondContact O-CE2 3.29Å; M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.21Å; M127-I173 HydrophobicContact CE-CG1 4.49Å
128N98.2Very high98Very high38 Ų3848.2 Ų48.220%0.20325%0.245CC..  trans-83.5173-179.37410.6000113.4E130 G131 Y132 Y134 E142 Y162N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 VanDerWaalsContact O-N 3.17Å; N128-E130 PolarHBondContact OD1-N 2.79Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; N128-G131 WeakPolarHBondContact O-CA 3.33Å; N128-G131 PolarHBondContact O-N 3.38Å; N128-G131 PolarHBondContact OD1-N 2.72Å; N128-Y132 PolarHBondContact N-O 3.05Å; N128-Y132 PolarHBondContact OD1-N 3.16Å; N128-Y132 PolarHBondContact OD1-O 2.89Å; N128-Y134 HydrophobicContact CB-CD1 4.04Å; N128-Y134 HydrophobicContact CB-CE1 3.82Å; N128-E142 WeakPolarHBondContact CA-OE1 3.32Å; N128-Y162 VanDerWaalsContact O-CD2 3.24Å; N128-Y162 WeakPolarHBondContact O-CD2 3.43Å; N128-Y162 WeakPolarHBondContact O-CE2 3.37Å
129S97.9Very high98Very high74 Ų7448.8 Ų48.852%0.51725%0.248SC..THydrogen-bonded Turntrans-61.1-20.4-179.863.70000115.1Y162 W171S129-Y162 VanDerWaalsContact CA-CZ 3.48Å; S129-Y162 VanDerWaalsContact N-CE2 3.34Å; S129-W171 VanDerWaalsContact O-CH2 3.23Å; S129-W171 WeakPolarHBondContact O-CH2 3.39Å; S129-W171 VanDerWaalsContact O-CZ3 3.25Å; S129-W171 WeakPolarHBondContact O-CZ3 3.36Å
130E97.8Very high98Very high109 Ų10947 Ų4751%0.50924%0.237SC..THydrogen-bonded Turntrans-83.8-20.2174-59.9-174173.500111.9N128 Y132 W171 K183N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 VanDerWaalsContact O-N 3.17Å; N128-E130 PolarHBondContact OD1-N 2.79Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; E130-Y132 HydrophobicContact CB-CD2 3.77Å; E130-Y132 HydrophobicContact CB-CE2 4.07Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.23Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.17Å; E130-W171 VanDerWaalsContact C-CZ3 3.5Å; E130-K183 WeakPolarHBondContact O-CE 3.4Å; E130-K183 PolarHBondContact O-NZ 2.89Å
131G97.9Very high98Very high0 Ų043.4 Ų43.40%022%0.224CC..SBendtrans99.49.6-179.500000113.2N128 W171 K183 G184N128-G131 WeakPolarHBondContact O-CA 3.33Å; N128-G131 PolarHBondContact O-N 3.38Å; N128-G131 PolarHBondContact OD1-N 2.72Å; G131-W171 VanDerWaalsContact CA-CE3 3.44Å; G131-W171 VanDerWaalsContact N-CZ3 3.26Å; G131-K183 CarbonylContact O-C 3.46Å; G131-K183 WeakPolarHBondContact O-CA 3.41Å; G131-K183 VanDerWaalsContact O-CG 3.29Å; G131-K183 WeakPolarHBondContact O-CG 3.49Å; G131-G184 PolarHBondContact O-N 3.2Å
132Y98.4Very high98.1Very high118 Ų11841.9 Ų41.946%0.46321%0.214SC..  trans-75.6137.4172.1-66.9-71.1000110M127 N128 E130 K183M127-Y132 WeakPolarHBondContact CA-O 2.98Å; N128-Y132 PolarHBondContact N-O 3.05Å; N128-Y132 PolarHBondContact OD1-N 3.16Å; N128-Y132 PolarHBondContact OD1-O 2.89Å; E130-Y132 HydrophobicContact CB-CD2 3.77Å; E130-Y132 HydrophobicContact CB-CE2 4.07Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.23Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.17Å; Y132-K183 HydrophobicContact CD1-CD 4.36Å; Y132-K183 HydrophobicContact CD1-CG 4.11Å; Y132-K183 HydrophobicContact CE1-CD 3.99Å; Y132-K183 HydrophobicContact CE1-CG 4.18Å; Y132-K183 HydrophobicContact CE2-CD 4.47Å
133L98.4Very high98.2Very high26 Ų2640.4 Ų40.414%0.13620%0.199CC..EExtended strand (participates in β ladder)trans-82.2135.9167.7-72.5175.7000108.8M91 V125 A126 M127 F145 I173 V181M91-L133 HydrophobicContact CE-CB 3.63Å; V125-L133 HydrophobicContact CG1-CD2 4.24Å; A126-L133 WeakPolarHBondContact O-CA 3.5Å; A126-L133 WeakPolarHBondContact O-CD2 3.47Å; M127-L133 HydrophobicContact CB-CD2 3.78Å; M127-L133 HydrophobicContact CE-CD2 3.58Å; M127-L133 HydrophobicContact CE-CG 4.14Å; M127-L133 HydrophobicContact CG-CD2 4.17Å; L133-F145 HydrophobicContact CD2-CE1 4.42Å; L133-F145 HydrophobicContact CD2-CZ 4.31Å; L133-I173 HydrophobicContact CD1-CB 4.26Å; L133-I173 HydrophobicContact CD1-CG1 4.19Å; L133-I173 HydrophobicContact CD1-CG2 3.91Å; L133-I173 HydrophobicContact CD2-CG1 4.07Å; L133-V181 HydrophobicContact CB-CG1 3.96Å; L133-V181 HydrophobicContact CD1-CG1 3.5Å; L133-V181 VanDerWaalsContact CD1-CG1 3.5Å; L133-V181 HydrophobicContact CG-CG1 4.25Å
134Y98.3Very high98.2Very high68 Ų6841.1 Ų41.127%0.26720%0.201SC..EExtended strand (participates in β ladder)trans-144.7171.2178.674.6-84.1000109.8M91 A126 N128 E142M91-Y134 VanDerWaalsContact CE-C 3.48Å; M91-Y134 WeakPolarHBondContact CE-O 3.24Å; A126-Y134 HydrophobicContact CB-CD1 3.99Å; A126-Y134 HydrophobicContact CB-CD2 4.26Å; A126-Y134 HydrophobicContact CB-CE1 3.46Å; A126-Y134 VanDerWaalsContact CB-CE1 3.46Å; A126-Y134 HydrophobicContact CB-CE2 3.75Å; A126-Y134 HydrophobicContact CB-CG 4.36Å; A126-Y134 PolarHBondContact N-O 3.22Å; A126-Y134 PolarHBondContact O-N 2.85Å; N128-Y134 HydrophobicContact CB-CD1 4.04Å; N128-Y134 HydrophobicContact CB-CE1 3.82Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.27Å; Y134-E142 PolarHBondContact OH-OE2 3.27Å
135T98.3Very high98.2Very high37 Ų3740 Ų4023%0.22720%0.197CC..EExtended strand (participates in β ladder)trans-103.7135.2177.753.60000111.2M85 G89 M91 L123 Y124M85-T135 HydrophobicContact CE-CG2 3.53Å; M85-T135 HydrophobicContact CG-CG2 4.17Å; M85-T135 HydrophobicContact SD-CG2 3.76Å; G89-T135 WeakPolarHBondContact O-CG2 3.44Å; M91-T135 HydrophobicContact CE-CG2 4.22Å; M91-T135 HydrophobicContact CG-CG2 3.98Å; M91-T135 HydrophobicContact SD-CG2 4.1Å; L123-T135 HydrophobicContact CD1-CG2 4.45Å; Y124-T135 CarbonylContact O-C 3.5Å; Y124-T135 VanDerWaalsContact O-CA 3.3Å; Y124-T135 WeakPolarHBondContact O-CA 3.35Å
136S98.1Very high98.2Very high14 Ų1444.2 Ų44.210%0.09822%0.215CC..EExtended strand (participates in β ladder)trans-121.1132.7-179.8-174.60000110.8Y124 H138Y124-S136 PolarHBondContact N-O 3.37Å; Y124-S136 PolarHBondContact O-N 3.42Å; S136-H138 WeakPolarHBondContact CB-O 3.29Å; S136-H138 PolarHBondContact OG-N 3.17Å; S136-H138 PolarHBondContact OG-O 3.15Å
137E96.9Very high98.2Very high149 Ų14946.4 Ų46.470%0.69623%0.225SC*.SBendtrans-68.9-39170.9-70-179.6-175.500111.4L123L123-E137 HydrophobicContact CD2-CB 4.23Å; L123-E137 HydrophobicContact CD2-CG 3.46Å; L123-E137 VanDerWaalsContact CD2-CG 3.46Å
138H97.1Very high98.1Very high100 Ų10048.1 Ų48.146%0.46324%0.237SC..SBendtrans-95.3145.5-178.9-62.2-58.2000111.7S136 T140 H212S136-H138 WeakPolarHBondContact CB-O 3.29Å; S136-H138 PolarHBondContact OG-N 3.17Å; S136-H138 PolarHBondContact OG-O 3.15Å; H138-T140 HydrophobicContact CB-CG2 4.46Å; H138-T140 PolarHBondContact O-N 3.16Å; H138-H212 HydrophobicContact CB-CB 4.02Å; H138-H212 AromaticContact ND1-CD2 3.95Å; H138-H212 AromaticContact ND1-CE1 3.98Å; H138-H212 AromaticContact ND1-NE2 3.75Å
139F97.9Very high98.1Very high11 Ų1150.4 Ų50.45%0.04825%0.252CS..BIsolated β-bridgetrans-77.4107.6172.8178.4-115.3000109.8V109 A115 Y124 C143 K144 P209 L211 H212V109-F139 HydrophobicContact CB-CZ 4.04Å; V109-F139 HydrophobicContact CG1-CE1 4.45Å; V109-F139 HydrophobicContact CG1-CE2 4.36Å; V109-F139 HydrophobicContact CG1-CZ 3.82Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; A115-F139 HydrophobicContact CB-CD2 4.14Å; A115-F139 HydrophobicContact CB-CE2 3.57Å; A115-F139 HydrophobicContact CB-CZ 4.38Å; Y124-F139 HydrophobicContact CD1-CD2 4.16Å; Y124-F139 HydrophobicContact CD2-CB 4.36Å; Y124-F139 HydrophobicContact CE1-CB 4.48Å; Y124-F139 HydrophobicContact CE1-CD2 4.09Å; Y124-F139 HydrophobicContact CE2-CB 3.97Å; F139-C143 HydrophobicContact CD2-CB 3.64Å; F139-C143 HydrophobicContact CE2-CB 3.81Å; F139-K144 HydrophobicContact CE2-CG 4.04Å; F139-K144 HydrophobicContact CZ-CD 4.24Å; F139-K144 VanDerWaalsContact CZ-CE 3.45Å; F139-K144 HydrophobicContact CZ-CG 3.73Å; F139-P209 HydrophobicContact CB-CB 3.77Å; F139-P209 HydrophobicContact CD1-CB 3.54Å; F139-P209 HydrophobicContact CD2-CB 4.27Å; F139-P209 HydrophobicContact CE1-CB 4.13Å; F139-P209 HydrophobicContact CG-CB 3.59Å; F139-L211 HydrophobicContact CD1-CB 4.5Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.83Å; F139-L211 CarbonylContact O-C 3.58Å; F139-L211 WeakPolarHBondContact O-CA 3.24Å; F139-H212 PolarHBondContact O-N 2.93Å
140T98.1Very high98Very high9 Ų948 Ų486%0.05523%0.232CC..  trans-112168.5-18065.40000111.2H138 E142 C143 H212H138-T140 HydrophobicContact CB-CG2 4.46Å; H138-T140 PolarHBondContact O-N 3.16Å; T140-E142 PolarHBondContact O-N 2.72Å; T140-E142 VanDerWaalsContact O-N 3.17Å; T140-E142 PolarHBondContact OG1-N 2.94Å; T140-C143 PolarHBondContact N-SG 2.71Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 VanDerWaalsContact O-CB 3.28Å; T140-C143 WeakPolarHBondContact O-CB 2.84Å; T140-C143 PolarHBondContact O-N 2.89Å; T140-C143 PolarHBondContact OG1-SG 2.83Å; T140-C143 VanDerWaalsContact OG1-SG 3.34Å; T140-H212 WeakPolarHBondContact CA-O 3.41Å; T140-H212 HydrophobicContact CG2-CB 4.44Å
141P98.3Very high97.8Very high32 Ų3249.1 Ų49.121%0.20824%0.238CC..G310 helixtrans-53.8-29.3169.7-3037.5000114.4C143 K144 L161 L211 H212P141-C143 PolarHBondContact O-N 2.88Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 2.9Å; P141-L161 HydrophobicContact CB-CD1 3.86Å; P141-L161 HydrophobicContact CB-CD2 4.38Å; P141-L211 HydrophobicContact CG-CD1 4.12Å; P141-H212 VanDerWaalsContact CD-O 3.29Å; P141-H212 WeakPolarHBondContact CD-O 3.22Å
142E98.5Very high97.3Very high11 Ų1156.7 Ų56.75%0.05128%0.278CS..G310 helixtrans-70.9-16176.7-67.6-169.3153.500113.5A126 M127 N128 Y134 T140 K144 L161 Y162 V214A126-E142 WeakPolarHBondContact CA-O 3.23Å; A126-E142 HydrophobicContact CB-CB 4.27Å; M127-E142 PolarHBondContact N-O 3.11Å; M127-E142 VanDerWaalsContact N-O 3.1Å; M127-E142 WeakPolarHBondContact O-CB 3.25Å; N128-E142 WeakPolarHBondContact CA-OE1 3.32Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.27Å; Y134-E142 PolarHBondContact OH-OE2 3.27Å; T140-E142 PolarHBondContact O-N 2.72Å; T140-E142 VanDerWaalsContact O-N 3.17Å; T140-E142 PolarHBondContact OG1-N 2.94Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-L161 HydrophobicContact CG-CD1 3.87Å; E142-Y162 HydrophobicContact CG-CE2 3.96Å; E142-Y162 PolarHBondContact OE1-OH 3.42Å; E142-V214 HydrophobicContact CG-CG2 4.01Å
143C98.6Very high97Very high0 Ų057.7 Ų57.70%028%0.282CS..G310 helixtrans-82.9-3.6176-57.80000113.2V125 F139 T140 P141 F145V125-C143 WeakPolarHBondContact O-CA 3.4Å; F139-C143 HydrophobicContact CD2-CB 3.64Å; F139-C143 HydrophobicContact CE2-CB 3.81Å; T140-C143 PolarHBondContact N-SG 2.71Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 VanDerWaalsContact O-CB 3.28Å; T140-C143 WeakPolarHBondContact O-CB 2.84Å; T140-C143 PolarHBondContact O-N 2.89Å; T140-C143 PolarHBondContact OG1-SG 2.83Å; T140-C143 VanDerWaalsContact OG1-SG 3.34Å; P141-C143 PolarHBondContact O-N 2.88Å; C143-F145 WeakPolarHBondContact O-CD2 3.36Å
144K98.7Very high97Very high43 Ų4358.2 Ų58.219%0.18728%0.283CS..EExtended strand (participates in β ladder)trans-93.6119.1-175.6-66-179.5179.8179.30110.5V109 I113 F139 P141 E142 I160V109-K144 HydrophobicContact CG2-CG 4.18Å; I113-K144 HydrophobicContact CG2-CB 3.82Å; I113-K144 HydrophobicContact CG2-CG 4.35Å; F139-K144 HydrophobicContact CE2-CG 4.04Å; F139-K144 HydrophobicContact CZ-CD 4.24Å; F139-K144 VanDerWaalsContact CZ-CE 3.45Å; F139-K144 HydrophobicContact CZ-CG 3.73Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 2.9Å; E142-K144 VanDerWaalsContact C-N 3.28Å; K144-I160 HydrophobicContact CB-CD1 3.45Å; K144-I160 VanDerWaalsContact CB-CD1 3.45Å; K144-I160 HydrophobicContact CB-CG1 3.82Å; K144-I160 HydrophobicContact CB-CG2 4.46Å; K144-I160 HydrophobicContact CD-CD1 3.69Å; K144-I160 HydrophobicContact CG-CD1 4.19Å; K144-I160 PolarHBondContact O-N 2.93Å
145F98.9Very high97Very high0 Ų056.2 Ų56.20%028%0.277CS..EExtended strand (participates in β ladder)trans-115.6129.9176.9-61-80.8000111.3I113 V114 I116 V125 M127 L133 C143 E147 S158 I173I113-F145 CarbonylContact C-O 3.56Å; I113-F145 WeakPolarHBondContact CA-O 3.41Å; V114-F145 HydrophobicContact CG2-CB 4.47Å; V114-F145 PolarHBondContact N-O 3.26Å; V114-F145 PolarHBondContact O-N 2.69Å; I116-F145 HydrophobicContact CD1-CD2 4.23Å; I116-F145 HydrophobicContact CG1-CD2 4.45Å; V125-F145 HydrophobicContact CB-CE2 4.25Å; V125-F145 HydrophobicContact CG1-CE2 4.05Å; V125-F145 HydrophobicContact CG1-CZ 4.05Å; V125-F145 VanDerWaalsContact O-CE2 3.31Å; V125-F145 WeakPolarHBondContact O-CE2 3.4Å; M127-F145 HydrophobicContact CB-CE1 4.01Å; M127-F145 HydrophobicContact CB-CZ 4.25Å; M127-F145 HydrophobicContact CE-CE1 4.38Å; L133-F145 HydrophobicContact CD2-CE1 4.42Å; L133-F145 HydrophobicContact CD2-CZ 4.31Å; C143-F145 WeakPolarHBondContact O-CD2 3.36Å; F145-E147 PolarHBondContact O-N 2.89Å; F145-S158 CarbonylContact C-O 3.59Å; F145-S158 VanDerWaalsContact CA-O 3.32Å; F145-S158 WeakPolarHBondContact CA-O 3.49Å; F145-I173 HydrophobicContact CD1-CD1 3.79Å; F145-I173 HydrophobicContact CD1-CG1 3.97Å; F145-I173 HydrophobicContact CD2-CD1 4.13Å; F145-I173 HydrophobicContact CE1-CD1 3.73Å; F145-I173 HydrophobicContact CE1-CG1 3.77Å; F145-I173 HydrophobicContact CE2-CD1 4.06Å; F145-I173 HydrophobicContact CG-CD1 3.99Å; F145-I173 HydrophobicContact CZ-CD1 3.87Å; F145-I173 HydrophobicContact CZ-CG1 4.28Å
146K98.7Very high97Very high90 Ų9054.5 Ų54.539%0.39127%0.267SS..EExtended strand (participates in β ladder)trans-73.9117.7167.5-177.4176.2-175.6172.10109R112 Y157 S158 I160R112-K146 CarbonylContact O-C 3.59Å; R112-K146 VanDerWaalsContact O-CA 3.31Å; R112-K146 WeakPolarHBondContact O-CA 3.38Å; K146-Y157 WeakPolarHBondContact O-CA 3.45Å; K146-S158 PolarHBondContact N-O 2.69Å; K146-S158 PolarHBondContact O-N 2.86Å; K146-I160 HydrophobicContact CB-CG2 4.06Å
147E98Very high97.1Very high45 Ų4553.9 Ų53.921%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-84.9135.7170.255.2163.1-148.800110.8R112 V114 F145 V155 T156 Y157R112-E147 HydrophobicContact CB-CG 4.27Å; R112-E147 IonicContact NH1-OE1 3.55Å; R112-E147 WeakPolarHBondContact O-CG 3.37Å; R112-E147 PolarHBondContact O-N 3.48Å; V114-E147 HydrophobicContact CG1-CG 4.08Å; V114-E147 HydrophobicContact CG2-CB 4.4Å; F145-E147 PolarHBondContact O-N 2.89Å; E147-V155 HydrophobicContact CB-CG1 4.09Å; E147-T156 CarbonylContact C-O 3.52Å; E147-T156 WeakPolarHBondContact CA-O 3.18Å; E147-Y157 HydrophobicContact CB-CD1 3.93Å; E147-Y157 HydrophobicContact CB-CE1 3.78Å
148C97.8Very high97.1Very high37 Ų3747 Ų4725%0.2523%0.23CC..EExtended strand (participates in β ladder)trans-142.5132.7176.3-760000110.4T156C148-T156 PolarHBondContact N-O 3.43Å; C148-T156 PolarHBondContact O-N 2.72Å; C148-T156 PolarHBondContact O-OG1 2.81Å
149V97.6Very high97.2Very high85 Ų8542.3 Ų42.352%0.51521%0.209SC..EExtended strand (participates in β ladder)trans-66.3140.2168.9179.80000109.4Y154V149-Y154 CarbonylContact C-O 3.5Å; V149-Y154 WeakPolarHBondContact CA-O 3.39Å
150F95.9Very high97.2Very high23 Ų2344.6 Ų44.610%0.10122%0.221CC..EExtended strand (participates in β ladder)trans-127.7127.8176.4-175.4-104.1000109.9N152 Y153 Y154 T156 K189 T190 H195F150-N152 PolarHBondContact O-N 2.59Å; F150-Y153 PolarHBondContact O-N 2.96Å; F150-Y153 VanDerWaalsContact O-N 3.14Å; F150-Y154 PolarHBondContact N-O 2.76Å; F150-Y154 PolarHBondContact O-N 2.88Å; F150-Y154 VanDerWaalsContact O-N 3.07Å; F150-T156 HydrophobicContact CB-CG2 3.93Å; F150-K189 HydrophobicContact CD2-CD 4.34Å; F150-K189 HydrophobicContact CD2-CG 4.06Å; F150-K189 HydrophobicContact CE2-CG 4.28Å; F150-T190 HydrophobicContact CE2-CG2 4.32Å; F150-T190 HydrophobicContact CZ-CG2 4.17Å; F150-H195 AromaticContact CD1-CE1 3.38Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.39Å; F150-H195 AromaticContact CD1-NE2 3.43Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.39Å; F150-H195 AromaticContact CE1-CE1 3.27Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F150-H195 AromaticContact CE1-NE2 3.4Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.31Å
151E92.8Very high97.2Very high134 Ų13447.9 Ų47.963%0.62624%0.238SC*.THydrogen-bonded Turntrans49.831.3-178.6-67174.4174.900113.5Y153E151-Y153 PolarHBondContact O-N 2.77Å
152N88.4Confident97.2Very high158 Ų15848.8 Ų48.885%0.84524%0.237SC*.THydrogen-bonded Turntrans58.512-178.6-58.8-31.3000116.3F150F150-N152 PolarHBondContact O-N 2.59Å
153Y91.9Very high97.2Very high139 Ų13953.2 Ų53.255%0.54525%0.254SS..THydrogen-bonded Turntrans-129.7-40.4-175.4-174.6-94.3000113.4F150 E151F150-Y153 PolarHBondContact O-N 2.96Å; F150-Y153 VanDerWaalsContact O-N 3.14Å; E151-Y153 PolarHBondContact O-N 2.77Å
154Y98.1Very high97.1Very high38 Ų3856.4 Ų56.415%0.14927%0.269CS..EExtended strand (participates in β ladder)trans-103.2155.7-177.2-62.4-71.7000111.7R78 V149 F150 H195R78-Y154 HydrophobicContact CB-CD1 4.49Å; R78-Y154 HydrophobicContact CB-CE1 3.86Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.5Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 WeakPolarHBondContact CG-OH 3.2Å; R78-Y154 PolarHBondContact NE-OH 3Å; V149-Y154 CarbonylContact C-O 3.5Å; V149-Y154 WeakPolarHBondContact CA-O 3.39Å; F150-Y154 PolarHBondContact N-O 2.76Å; F150-Y154 PolarHBondContact O-N 2.88Å; F150-Y154 VanDerWaalsContact O-N 3.07Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.05Å; Y154-H195 AromaticContact CD2-CG 3.92Å; Y154-H195 AromaticContact CD2-ND1 3.31Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.31Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.42Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.68Å; Y154-H195 HydrophobicContact CG-CB 3.58Å; Y154-H195 AromaticContact CG-CG 3.89Å; Y154-H195 AromaticContact CG-ND1 3.78Å
155V98.6Very high96.9Very high26 Ų2661.1 Ų61.116%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-106.7137.4167.6-174.20000108.8E147 Y157 F196 P198E147-V155 HydrophobicContact CB-CG1 4.09Å; V155-Y157 HydrophobicContact CB-CE2 4.41Å; V155-Y157 HydrophobicContact CG1-CD1 4.5Å; V155-Y157 HydrophobicContact CG1-CE1 3.85Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; V155-F196 PolarHBondContact N-O 2.96Å; V155-F196 PolarHBondContact O-N 3.46Å; V155-P198 HydrophobicContact CB-CG 4.33Å; V155-P198 HydrophobicContact CG2-CG 4Å
156T98.7Very high96.7Very high0 Ų070.2 Ų70.20%034%0.343CS..EExtended strand (participates in β ladder)trans-114.8140.1174.257.90000108.9E147 C148 F150 K189 A194E147-T156 CarbonylContact C-O 3.52Å; E147-T156 WeakPolarHBondContact CA-O 3.18Å; C148-T156 PolarHBondContact N-O 3.43Å; C148-T156 PolarHBondContact O-N 2.72Å; C148-T156 PolarHBondContact O-OG1 2.81Å; F150-T156 HydrophobicContact CB-CG2 3.93Å; T156-K189 HydrophobicContact CG2-CG 4.39Å; T156-A194 HydrophobicContact CG2-CB 4.39Å; T156-A194 WeakPolarHBondContact CG2-O 3.4Å
157Y98.8Very high96.6Very high2 Ų269.8 Ų69.81%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-116.8115.5178.1-59.6-77.8000109.2L75 L106 V114 I116 K146 E147 V155 Y172 I173 F196 P198L75-Y157 HydrophobicContact CD2-CE2 4.1Å; L106-Y157 HydrophobicContact CD2-CE1 4.33Å; L106-Y157 WeakPolarHBondContact CD2-OH 3.39Å; V114-Y157 HydrophobicContact CG2-CD1 3.86Å; V114-Y157 HydrophobicContact CG2-CE1 3.83Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CG 4.25Å; K146-Y157 WeakPolarHBondContact O-CA 3.45Å; E147-Y157 HydrophobicContact CB-CD1 3.93Å; E147-Y157 HydrophobicContact CB-CE1 3.78Å; V155-Y157 HydrophobicContact CB-CE2 4.41Å; V155-Y157 HydrophobicContact CG1-CD1 4.5Å; V155-Y157 HydrophobicContact CG1-CE1 3.85Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; Y157-Y172 CarbonylContact O-C 3.58Å; Y157-Y172 VanDerWaalsContact O-CA 3.3Å; Y157-Y172 WeakPolarHBondContact O-CA 3.45Å; Y157-I173 PolarHBondContact O-N 2.86Å; Y157-F196 HydrophobicContact CD2-CD2 4.16Å; Y157-F196 HydrophobicContact CD2-CG 4.47Å; Y157-F196 HydrophobicContact CE2-CB 4.02Å; Y157-F196 HydrophobicContact CE2-CD2 4.49Å; Y157-F196 HydrophobicContact CE2-CG 4.38Å; Y157-P198 WeakPolarHBondContact OH-CG 3.3Å
158S98.8Very high96.6Very high4 Ų469.6 Ų69.63%0.02836%0.362CS..EExtended strand (participates in β ladder)trans-115.814518063.90000112.4F145 K146 I160 W171F145-S158 CarbonylContact C-O 3.59Å; F145-S158 VanDerWaalsContact CA-O 3.32Å; F145-S158 WeakPolarHBondContact CA-O 3.49Å; K146-S158 PolarHBondContact N-O 2.69Å; K146-S158 PolarHBondContact O-N 2.86Å; S158-I160 PolarHBondContact O-N 3.45Å; S158-W171 CarbonylContact C-O 3.5Å; S158-W171 WeakPolarHBondContact CA-O 3.46Å; S158-W171 VanDerWaalsContact CB-O 3.26Å; S158-W171 WeakPolarHBondContact CB-O 3.41Å
159S98.6Very high96.6Very high1 Ų171.4 Ų71.41%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-56.9136.3171.2175.90000110.1L161 Y162 W171S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 2.84Å; S159-L161 VanDerWaalsContact OG-N 3.17Å; S159-Y162 PolarHBondContact OG-N 3.21Å; S159-W171 PolarHBondContact N-O 3.36Å
160I98.3Very high96.6Very high59 Ų5967.5 Ų67.530%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-77.5-23.9172.567.6165.1000112.1I113 K144 K146 S158I113-I160 HydrophobicContact CD1-CG2 4.3Å; I113-I160 HydrophobicContact CG1-CG2 4.37Å; I113-I160 HydrophobicContact CG2-CG2 4.27Å; K144-I160 HydrophobicContact CB-CD1 3.45Å; K144-I160 VanDerWaalsContact CB-CD1 3.45Å; K144-I160 HydrophobicContact CB-CG1 3.82Å; K144-I160 HydrophobicContact CB-CG2 4.46Å; K144-I160 HydrophobicContact CD-CD1 3.69Å; K144-I160 HydrophobicContact CG-CD1 4.19Å; K144-I160 PolarHBondContact O-N 2.93Å; K146-I160 HydrophobicContact CB-CG2 4.06Å; S158-I160 PolarHBondContact O-N 3.45Å
161L97.8Very high96.7Very high78 Ų7867.5 Ų67.541%0.40834%0.34SS..EExtended strand (participates in β ladder)trans-92.7-41.6-175.4-58.5179000112.2P141 E142 S159P141-L161 HydrophobicContact CB-CD1 3.86Å; P141-L161 HydrophobicContact CB-CD2 4.38Å; E142-L161 HydrophobicContact CG-CD1 3.87Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 2.84Å; S159-L161 VanDerWaalsContact OG-N 3.17Å
162Y98.4Very high97Very high51 Ų5162.2 Ų62.220%0.231%0.314CS..EExtended strand (participates in β ladder)trans-109.3128.6-164-54.7-54.5000113.3M127 N128 S129 E142 S159 W171M127-Y162 WeakPolarHBondContact O-CD2 3.46Å; M127-Y162 WeakPolarHBondContact O-CE2 3.29Å; N128-Y162 VanDerWaalsContact O-CD2 3.24Å; N128-Y162 WeakPolarHBondContact O-CD2 3.43Å; N128-Y162 WeakPolarHBondContact O-CE2 3.37Å; S129-Y162 VanDerWaalsContact CA-CZ 3.48Å; S129-Y162 VanDerWaalsContact N-CE2 3.34Å; E142-Y162 HydrophobicContact CG-CE2 3.96Å; E142-Y162 PolarHBondContact OE1-OH 3.42Å; S159-Y162 PolarHBondContact OG-N 3.21Å; Y162-W171 VanDerWaalsContact CB-CE3 3.42Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.25Å; Y162-W171 PolarHBondContact O-N 3.07Å
163R98.1Very high97.5Very high105 Ų10554.9 Ų54.940%0.39628%0.275SS..EExtended strand (participates in β ladder)trans-147.4158.7-177.6-54-173.3165.3-101.1-15.2109T165 R169R163-T165 PolarHBondContact O-N 2.82Å; R163-R169 CarbonylContact C-O 3.57Å; R163-R169 WeakPolarHBondContact CA-O 3.42Å
164Q97.4Very high97.8Very high67 Ų6748.3 Ų48.331%0.31325%0.249SC..  trans-64.4121.3171.3-165.674.439.700109.8Q166 S167 G168 R169Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å; Q164-S167 WeakPolarHBondContact CB-OG 3.44Å; Q164-S167 WeakPolarHBondContact CG-OG 3.42Å; Q164-G168 VanDerWaalsContact O-CA 3.31Å; Q164-G168 WeakPolarHBondContact O-CA 3.45Å; Q164-G168 PolarHBondContact O-N 3.34Å; Q164-R169 HydrophobicContact CB-CB 4.17Å; Q164-R169 PolarHBondContact N-O 3.23Å
165T94.5Very high97.9Very high142 Ų14246.5 Ų46.587%0.87124%0.242SC*.THydrogen-bonded Turntrans-57.3-42.5-175-44.90000113.2R163R163-T165 PolarHBondContact O-N 2.82Å
166Q94.8Very high97.9Very high190 Ų19046.7 Ų46.789%0.88824%0.242SC*.THydrogen-bonded Turntrans-78.9-43.2-175.3-65178.57.200113.2Q164Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å
167S96.4Very high97.8Very high81 Ų8156.1 Ų56.157%0.56628%0.278SS*.THydrogen-bonded Turntrans-99.7-7.9-173.361.10000114.5Q164 R169Q164-S167 WeakPolarHBondContact CB-OG 3.44Å; Q164-S167 WeakPolarHBondContact CG-OG 3.42Å; S167-R169 PolarHBondContact O-N 2.87Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-R169 WeakPolarHBondContact OG-CB 3.33Å
168G96.9Very high97.8Very high41 Ų4161.9 Ų61.942%0.42331%0.309SS..  trans67.14.3-173.700000114.5Q164 A170Q164-G168 VanDerWaalsContact O-CA 3.31Å; Q164-G168 WeakPolarHBondContact O-CA 3.45Å; Q164-G168 PolarHBondContact O-N 3.34Å; G168-A170 PolarHBondContact O-N 2.8Å
169R97.6Very high97.7Very high75 Ų7561.9 Ų61.928%0.28331%0.309SS..PPolyproline II helixtrans-64123.1-177.6-178.717860.683.3-1.1110.4R163 Q164 S167 N185 V187R163-R169 CarbonylContact C-O 3.57Å; R163-R169 WeakPolarHBondContact CA-O 3.42Å; Q164-R169 HydrophobicContact CB-CB 4.17Å; Q164-R169 PolarHBondContact N-O 3.23Å; S167-R169 PolarHBondContact O-N 2.87Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-R169 WeakPolarHBondContact OG-CB 3.33Å; R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.04Å; R169-V187 PolarHBondContact NH1-O 3.13Å
170A98.3Very high97.7Very high3 Ų367.7 Ų67.73%0.02534%0.336CS..EExtended strand (participates in β ladder)trans-63.3155.2177.700000112.4G168 Y172G168-A170 PolarHBondContact O-N 2.8Å; A170-Y172 HydrophobicContact CB-CE2 3.75Å; A170-Y172 VanDerWaalsContact O-CD2 3.29Å; A170-Y172 WeakPolarHBondContact O-CD2 3.4Å; A170-Y172 WeakPolarHBondContact O-CE2 3.18Å
171W98.7Very high97.7Very high24 Ų2466.8 Ų66.89%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-98.4139.5170.4-64.11000109.5M127 S129 E130 G131 S158 S159 Y162 G184 N185M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.21Å; S129-W171 VanDerWaalsContact O-CH2 3.23Å; S129-W171 WeakPolarHBondContact O-CH2 3.39Å; S129-W171 VanDerWaalsContact O-CZ3 3.25Å; S129-W171 WeakPolarHBondContact O-CZ3 3.36Å; E130-W171 VanDerWaalsContact C-CZ3 3.5Å; G131-W171 VanDerWaalsContact CA-CE3 3.44Å; G131-W171 VanDerWaalsContact N-CZ3 3.26Å; S158-W171 CarbonylContact C-O 3.5Å; S158-W171 WeakPolarHBondContact CA-O 3.46Å; S158-W171 VanDerWaalsContact CB-O 3.26Å; S158-W171 WeakPolarHBondContact CB-O 3.41Å; S159-W171 PolarHBondContact N-O 3.36Å; Y162-W171 VanDerWaalsContact CB-CE3 3.42Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.25Å; Y162-W171 PolarHBondContact O-N 3.07Å; W171-G184 WeakPolarHBondContact CA-O 3.24Å; W171-N185 HydrophobicContact CD2-CB 3.77Å; W171-N185 VanDerWaalsContact CE2-CB 3.42Å; W171-N185 HydrophobicContact CE3-CB 4.43Å; W171-N185 HydrophobicContact CG-CB 4.05Å; W171-N185 HydrophobicContact CH2-CB 4.46Å; W171-N185 HydrophobicContact CZ2-CB 3.8Å
172Y98.9Very high97.8Very high23 Ų2365 Ų659%0.0932%0.324CS..EExtended strand (participates in β ladder)trans-123.9147.6-168.8-64.4-94.9000111.5Y157 A170 G184 V187 K189Y157-Y172 CarbonylContact O-C 3.58Å; Y157-Y172 VanDerWaalsContact O-CA 3.3Å; Y157-Y172 WeakPolarHBondContact O-CA 3.45Å; A170-Y172 HydrophobicContact CB-CE2 3.75Å; A170-Y172 VanDerWaalsContact O-CD2 3.29Å; A170-Y172 WeakPolarHBondContact O-CD2 3.4Å; A170-Y172 WeakPolarHBondContact O-CE2 3.18Å; Y172-G184 PolarHBondContact N-O 2.87Å; Y172-G184 VanDerWaalsContact N-O 3.17Å; Y172-G184 VanDerWaalsContact O-CA 3.23Å; Y172-G184 WeakPolarHBondContact O-CA 3.32Å; Y172-V187 WeakPolarHBondContact O-CB 3.34Å; Y172-K189 HydrophobicContact CE1-CB 4.14Å; Y172-K189 HydrophobicContact CE1-CG 4.11Å; Y172-K189 HydrophobicContact CE2-CB 3.94Å
173I98.8Very high97.8Very high4 Ų464.9 Ų64.92%0.02132%0.324CS..  trans-61.7138.6161-59.5-178.9000107.7I116 V125 M127 L133 F145 Y157 F196I116-I173 HydrophobicContact CD1-CD1 3.86Å; V125-I173 HydrophobicContact CG1-CD1 4.15Å; M127-I173 HydrophobicContact CE-CG1 4.49Å; L133-I173 HydrophobicContact CD1-CB 4.26Å; L133-I173 HydrophobicContact CD1-CG1 4.19Å; L133-I173 HydrophobicContact CD1-CG2 3.91Å; L133-I173 HydrophobicContact CD2-CG1 4.07Å; F145-I173 HydrophobicContact CD1-CD1 3.79Å; F145-I173 HydrophobicContact CD1-CG1 3.97Å; F145-I173 HydrophobicContact CD2-CD1 4.13Å; F145-I173 HydrophobicContact CE1-CD1 3.73Å; F145-I173 HydrophobicContact CE1-CG1 3.77Å; F145-I173 HydrophobicContact CE2-CD1 4.06Å; F145-I173 HydrophobicContact CG-CD1 3.99Å; F145-I173 HydrophobicContact CZ-CD1 3.87Å; F145-I173 HydrophobicContact CZ-CG1 4.28Å; Y157-I173 PolarHBondContact O-N 2.86Å; I173-F196 HydrophobicContact CB-CE2 4.47Å; I173-F196 HydrophobicContact CG2-CE2 4.08Å; I173-F196 HydrophobicContact CG2-CZ 3.91Å
174G98.6Very high97.8Very high0 Ų059.9 Ų59.90%031%0.305CS..  trans-166.9156.8173.900000114.7M182 A193G174-M182 PolarHBondContact O-N 3.36Å; G174-A193 CarbonylContact C-O 3.56Å; G174-A193 WeakPolarHBondContact CA-O 3.34Å
175I98.7Very high97.8Very high0 Ų058.7 Ų58.70%030%0.301CS..BIsolated β-bridgetrans-119.3134.2178.2-56.2175.7000108C77 H79 F81 L83 G179 Q180 V181 A193 F196C77-I175 HydrophobicContact CB-CB 4.38Å; C77-I175 HydrophobicContact CB-CD1 4.1Å; H79-I175 PolarHBondContact ND1-O 2.89Å; F81-I175 HydrophobicContact CB-CG2 4.45Å; L83-I175 HydrophobicContact CB-CD1 4.27Å; L83-I175 HydrophobicContact CD1-CD1 4.07Å; I175-G179 VanDerWaalsContact CG2-C 3.48Å; I175-Q180 CarbonylContact C-O 3.59Å; I175-Q180 WeakPolarHBondContact CA-O 3.38Å; I175-V181 HydrophobicContact CG1-CG2 4.47Å; I175-A193 PolarHBondContact N-O 2.91Å; I175-A193 VanDerWaalsContact N-O 3.16Å; I175-A193 WeakPolarHBondContact O-CA 3.35Å; I175-A193 WeakPolarHBondContact O-CB 3.36Å; I175-F196 HydrophobicContact CD1-CE1 4.07Å; I175-F196 HydrophobicContact CD1-CZ 4.46Å; I175-F196 HydrophobicContact CG1-CE1 4.35Å; I175-F196 HydrophobicContact CG1-CZ 4.24Å
176N98.3Very high98Very high30 Ų3060.7 Ų60.716%0.1629%0.292CS..  trans-73.7-171.7177.472.66.3000111.3H79 D178 G179 Q180 M182H79-N176 PolarHBondContact ND1-O 2.8Å; N176-D178 PolarHBondContact ND2-OD2 2.48Å; N176-D178 WeakPolarHBondContact OD1-CA 3.4Å; N176-D178 PolarHBondContact OD1-N 2.98Å; N176-G179 PolarHBondContact OD1-N 3.09Å; N176-G179 VanDerWaalsContact OD1-N 3.07Å; N176-Q180 PolarHBondContact N-O 2.92Å; N176-Q180 PolarHBondContact ND2-OE1 3.43Å; N176-Q180 PolarHBondContact OD1-N 2.92Å; N176-Q180 PolarHBondContact OD1-O 3.23Å; N176-M182 HydrophobicContact CB-CG 3.78Å; N176-M182 HydrophobicContact CB-SD 3.69Å
177R98.2Very high98.2Very high199 Ų19951.7 Ų51.775%0.75125%0.25SS*.THydrogen-bonded Turntrans-77.4-14.5179.3-68.3-176.9176.4-136.80.3113.2F81F81-R177 WeakPolarHBondContact CE2-O 3.38Å
178D97.9Very high98.2Very high123 Ų12353 Ų5366%0.65825%0.246SC*.THydrogen-bonded Turntrans-964-178.2-46.9-54.7000111.8N176N176-D178 PolarHBondContact ND2-OD2 2.48Å; N176-D178 WeakPolarHBondContact OD1-CA 3.4Å; N176-D178 PolarHBondContact OD1-N 2.98Å
179G97.6Very high98.3Very high4 Ų454.8 Ų54.84%0.04124%0.242CC..SBendtrans82.96.5-178.400000114.2G93 I175 N176G93-G179 WeakPolarHBondContact CA-O 3.44Å; G93-G179 PolarHBondContact N-O 3.47Å; I175-G179 VanDerWaalsContact CG2-C 3.48Å; N176-G179 PolarHBondContact OD1-N 3.09Å; N176-G179 VanDerWaalsContact OD1-N 3.07Å
180Q98.3Very high98.3Very high122 Ų12255.8 Ų55.857%0.5726%0.257SS*.BIsolated β-bridgetrans-91140.7-179.1-56.4170.3-24.200111.6I175 N176I175-Q180 CarbonylContact C-O 3.59Å; I175-Q180 WeakPolarHBondContact CA-O 3.38Å; N176-Q180 PolarHBondContact N-O 2.92Å; N176-Q180 PolarHBondContact ND2-OE1 3.43Å; N176-Q180 PolarHBondContact OD1-N 2.92Å; N176-Q180 PolarHBondContact OD1-O 3.23Å
181V98.3Very high98.3Very high41 Ų4161.6 Ų61.625%0.24828%0.281CS..BIsolated β-bridgetrans-66.2136.4172.7170.50000110.3L83 M91 L133 I175L83-V181 HydrophobicContact CD1-CG2 4.19Å; M91-V181 HydrophobicContact CB-CG2 4.1Å; M91-V181 VanDerWaalsContact O-CG2 3.24Å; M91-V181 WeakPolarHBondContact O-CG2 3.15Å; L133-V181 HydrophobicContact CB-CG1 3.96Å; L133-V181 HydrophobicContact CD1-CG1 3.5Å; L133-V181 VanDerWaalsContact CD1-CG1 3.5Å; L133-V181 HydrophobicContact CG-CG1 4.25Å; I175-V181 HydrophobicContact CG1-CG2 4.47Å
182M98.4Very high98.2Very high41 Ų4161 Ų6120%0.20228%0.283CS..PPolyproline II helixtrans-102.3149.8-175.8-63.4-176.771.200112.4G174 N176 G184 R186 V187 A193G174-M182 PolarHBondContact O-N 3.36Å; N176-M182 HydrophobicContact CB-CG 3.78Å; N176-M182 HydrophobicContact CB-SD 3.69Å; M182-G184 PolarHBondContact O-N 2.89Å; M182-R186 HydrophobicContact CE-CB 4.26Å; M182-V187 HydrophobicContact CB-CG2 3.54Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.2Å; M182-A193 HydrophobicContact SD-CB 3.79Å
183K98.4Very high98.2Very high48 Ų4860.3 Ų60.321%0.20928%0.282CS..PPolyproline II helixtrans-59.4128.6166.3-155.9179.6-155-158.70110.4E130 G131 Y132 N185 R186 V187E130-K183 WeakPolarHBondContact O-CE 3.4Å; E130-K183 PolarHBondContact O-NZ 2.89Å; G131-K183 CarbonylContact O-C 3.46Å; G131-K183 WeakPolarHBondContact O-CA 3.41Å; G131-K183 VanDerWaalsContact O-CG 3.29Å; G131-K183 WeakPolarHBondContact O-CG 3.49Å; Y132-K183 HydrophobicContact CD1-CD 4.36Å; Y132-K183 HydrophobicContact CD1-CG 4.11Å; Y132-K183 HydrophobicContact CE1-CD 3.99Å; Y132-K183 HydrophobicContact CE1-CG 4.18Å; Y132-K183 HydrophobicContact CE2-CD 4.47Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 VanDerWaalsContact CD-OD1 3.27Å; K183-N185 WeakPolarHBondContact CD-OD1 3.33Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.3Å; K183-N185 PolarHBondContact O-N 2.88Å; K183-N185 VanDerWaalsContact O-N 3.16Å; K183-R186 HydrophobicContact CB-CG 4.25Å; K183-R186 WeakPolarHBondContact O-CA 3.47Å; K183-R186 WeakPolarHBondContact O-CB 3.19Å; K183-R186 PolarHBondContact O-N 3.44Å; K183-V187 PolarHBondContact O-N 2.8Å
184G98.5Very high98.2Very high0 Ų060.1 Ų60.10%028%0.281CS..THydrogen-bonded Turntrans-61.3-30.4-169.300000114.6G131 W171 Y172 M182 R186 V187G131-G184 PolarHBondContact O-N 3.2Å; W171-G184 WeakPolarHBondContact CA-O 3.24Å; Y172-G184 PolarHBondContact N-O 2.87Å; Y172-G184 VanDerWaalsContact N-O 3.17Å; Y172-G184 VanDerWaalsContact O-CA 3.23Å; Y172-G184 WeakPolarHBondContact O-CA 3.32Å; M182-G184 PolarHBondContact O-N 2.89Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 3.3Å; G184-V187 PolarHBondContact O-N 3.37Å
185N98.2Very high98.2Very high42 Ų4260.1 Ų60.123%0.22528%0.281CS..THydrogen-bonded Turntrans-68.7-23174.870.3-24.3000113.3R169 W171 K183R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.04Å; W171-N185 HydrophobicContact CD2-CB 3.77Å; W171-N185 VanDerWaalsContact CE2-CB 3.42Å; W171-N185 HydrophobicContact CE3-CB 4.43Å; W171-N185 HydrophobicContact CG-CB 4.05Å; W171-N185 HydrophobicContact CH2-CB 4.46Å; W171-N185 HydrophobicContact CZ2-CB 3.8Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 VanDerWaalsContact CD-OD1 3.27Å; K183-N185 WeakPolarHBondContact CD-OD1 3.33Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.3Å; K183-N185 PolarHBondContact O-N 2.88Å; K183-N185 VanDerWaalsContact O-N 3.16Å
186R98.2Very high98.2Very high183 Ų18360.1 Ų60.169%0.69128%0.281SS*.THydrogen-bonded Turntrans-84.7-20.8176.3-61.4176.168.5-179.10.5112.4M182 K183 G184M182-R186 HydrophobicContact CE-CB 4.26Å; K183-R186 HydrophobicContact CB-CG 4.25Å; K183-R186 WeakPolarHBondContact O-CA 3.47Å; K183-R186 WeakPolarHBondContact O-CB 3.19Å; K183-R186 PolarHBondContact O-N 3.44Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 3.3Å
187V98.6Very high98.2Very high1 Ų161.2 Ų61.21%0.00629%0.287CS..  trans-80.6130.3178.5-172.80000109.7R169 Y172 M182 K183 G184 A193 A194R169-V187 PolarHBondContact NH1-O 3.13Å; Y172-V187 WeakPolarHBondContact O-CB 3.34Å; M182-V187 HydrophobicContact CB-CG2 3.54Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.2Å; K183-V187 PolarHBondContact O-N 2.8Å; G184-V187 PolarHBondContact O-N 3.37Å; V187-A193 HydrophobicContact CG1-CB 4.34Å; V187-A194 HydrophobicContact CG1-CB 3.54Å
188K97.9Very high98.2Very high109 Ų10953.6 Ų53.647%0.47426%0.263SS..  trans-113.7137.5179.9-65.5-177.8-178.5-178.10109.6T190 K191 A194K188-T190 PolarHBondContact O-N 3.21Å; K188-T190 VanDerWaalsContact O-N 3.09Å; K188-K191 HydrophobicContact CB-CB 4.32Å; K188-K191 HydrophobicContact CB-CG 3.82Å; K188-K191 HydrophobicContact CD-CG 4.46Å; K188-K191 PolarHBondContact O-N 2.79Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å
189K97.8Very high98.2Very high79 Ų7951.4 Ų51.434%0.34325%0.247SC..THydrogen-bonded Turntrans-49.7-37.7179.7-168.8179.9178.9-1760113.8F150 T156 Y172 K191 H195F150-K189 HydrophobicContact CD2-CD 4.34Å; F150-K189 HydrophobicContact CD2-CG 4.06Å; F150-K189 HydrophobicContact CE2-CG 4.28Å; T156-K189 HydrophobicContact CG2-CG 4.39Å; Y172-K189 HydrophobicContact CE1-CB 4.14Å; Y172-K189 HydrophobicContact CE1-CG 4.11Å; Y172-K189 HydrophobicContact CE2-CB 3.94Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K189-H195 PolarHBondContact O-NE2 2.84Å
190T97.1Very high98.1Very high95 Ų9556.3 Ų56.358%0.58327%0.272SS*.THydrogen-bonded Turntrans-86.82.7-176.155.60000114F150 K188F150-T190 HydrophobicContact CE2-CG2 4.32Å; F150-T190 HydrophobicContact CZ-CG2 4.17Å; K188-T190 PolarHBondContact O-N 3.21Å; K188-T190 VanDerWaalsContact O-N 3.09Å
191K98.2Very high98.1Very high125 Ų12554 Ų5454%0.54326%0.263SS..SBendtrans-107.8140.9-178.2-63.5-62.2-176.5-175.80109.4K188 K189 A193 A194 H195K188-K191 HydrophobicContact CB-CB 4.32Å; K188-K191 HydrophobicContact CB-CG 3.82Å; K188-K191 HydrophobicContact CD-CG 4.46Å; K188-K191 PolarHBondContact O-N 2.79Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K191-A193 PolarHBondContact O-N 3.16Å; K191-A194 PolarHBondContact O-N 2.89Å; K191-H195 PolarHBondContact O-CD2 3.11Å; K191-H195 PolarHBondContact O-NE2 2.69Å
192G97.9Very high98Very high13 Ų1357.5 Ų57.513%0.13428%0.276CS..G310 helixtrans-53-25.7-178.100000114.9A194 H195G192-A194 PolarHBondContact O-N 3.35Å; G192-H195 WeakPolarHBondContact O-CB 3.25Å; G192-H195 PolarHBondContact O-N 3.44Å
193A98.4Very high98Very high7 Ų759.4 Ų59.46%0.05829%0.29CS..G310 helixtrans-55.1-32.6173.900000113.6H79 G174 I175 M182 V187 K191H79-A193 VanDerWaalsContact CE1-CA 3.4Å; H79-A193 WeakPolarHBondContact CE1-CA 3.37Å; H79-A193 PolarHBondContact CE1-N 2.68Å; H79-A193 PolarHBondContact NE2-N 3.42Å; G174-A193 CarbonylContact C-O 3.56Å; G174-A193 WeakPolarHBondContact CA-O 3.34Å; I175-A193 PolarHBondContact N-O 2.91Å; I175-A193 VanDerWaalsContact N-O 3.16Å; I175-A193 WeakPolarHBondContact O-CA 3.35Å; I175-A193 WeakPolarHBondContact O-CB 3.36Å; M182-A193 HydrophobicContact SD-CB 3.79Å; V187-A193 HydrophobicContact CG1-CB 4.34Å; K191-A193 PolarHBondContact O-N 3.16Å
194A98.6Very high97.8Very high0 Ų058.1 Ų58.10%029%0.289CS..G310 helixtrans-88.1-7.1-177.900000113.5T156 V187 K188 K191 G192 F196T156-A194 HydrophobicContact CG2-CB 4.39Å; T156-A194 WeakPolarHBondContact CG2-O 3.4Å; V187-A194 HydrophobicContact CG1-CB 3.54Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å; K191-A194 PolarHBondContact O-N 2.89Å; G192-A194 PolarHBondContact O-N 3.35Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å
195H98.8Very high97.7Very high0 Ų063 Ų630%031%0.313CS..  trans-96.6113.2-166.2-66-165.9000109.7C77 R78 F150 Y154 K189 K191 G192C77-H195 CarbonylContact C-O 3.48Å; C77-H195 WeakPolarHBondContact CA-O 3.18Å; R78-H195 HydrophobicContact CB-CB 3.76Å; R78-H195 PolarHBondContact N-O 2.81Å; R78-H195 PolarHBondContact NH1-CE1 3.37Å; R78-H195 PolarHBondContact NH1-ND1 2.89Å; F150-H195 AromaticContact CD1-CE1 3.38Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.39Å; F150-H195 AromaticContact CD1-NE2 3.43Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.39Å; F150-H195 AromaticContact CE1-CE1 3.27Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F150-H195 AromaticContact CE1-NE2 3.4Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.31Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.05Å; Y154-H195 AromaticContact CD2-CG 3.92Å; Y154-H195 AromaticContact CD2-ND1 3.31Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.31Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.42Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.68Å; Y154-H195 HydrophobicContact CG-CB 3.58Å; Y154-H195 AromaticContact CG-CG 3.89Å; Y154-H195 AromaticContact CG-ND1 3.78Å; K189-H195 PolarHBondContact O-NE2 2.84Å; K191-H195 PolarHBondContact O-CD2 3.11Å; K191-H195 PolarHBondContact O-NE2 2.69Å; G192-H195 WeakPolarHBondContact O-CB 3.25Å; G192-H195 PolarHBondContact O-N 3.44Å
196F98.8Very high97.5Very high0 Ų062.4 Ų62.40%031%0.308CS..EExtended strand (participates in β ladder)trans-114.6148.7177.4-66-93.5000111L75 Y76 C77 V155 Y157 I173 I175 A194L75-F196 HydrophobicContact CB-CD1 4.1Å; Y76-F196 CarbonylContact O-C 3.59Å; Y76-F196 WeakPolarHBondContact O-CA 3.43Å; C77-F196 HydrophobicContact CB-CD1 4.06Å; C77-F196 HydrophobicContact CB-CE1 3.82Å; C77-F196 HydrophobicContact CB-CZ 4.44Å; V155-F196 PolarHBondContact N-O 2.96Å; V155-F196 PolarHBondContact O-N 3.46Å; Y157-F196 HydrophobicContact CD2-CD2 4.16Å; Y157-F196 HydrophobicContact CD2-CG 4.47Å; Y157-F196 HydrophobicContact CE2-CB 4.02Å; Y157-F196 HydrophobicContact CE2-CD2 4.49Å; Y157-F196 HydrophobicContact CE2-CG 4.38Å; I173-F196 HydrophobicContact CB-CE2 4.47Å; I173-F196 HydrophobicContact CG2-CE2 4.08Å; I173-F196 HydrophobicContact CG2-CZ 3.91Å; I175-F196 HydrophobicContact CD1-CE1 4.07Å; I175-F196 HydrophobicContact CD1-CZ 4.46Å; I175-F196 HydrophobicContact CG1-CE1 4.35Å; I175-F196 HydrophobicContact CG1-CZ 4.24Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å
197L98.2Very high97.2Very high54 Ų5461.9 Ų61.928%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-114.7108.3169.6-177.764000107.9Y76 K199Y76-L197 PolarHBondContact N-O 2.97Å; Y76-L197 PolarHBondContact O-N 2.83Å; L197-K199 PolarHBondContact O-N 3.33Å
198P97.8Very high96.8Very high38 Ų3867.3 Ų67.325%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-65.9114.6172.3-20.534000110R74 L75 V155 Y157 L200R74-P198 WeakPolarHBondContact O-CA 3.12Å; L75-P198 HydrophobicContact CD2-CB 4.3Å; L75-P198 HydrophobicContact CD2-CG 4.29Å; V155-P198 HydrophobicContact CB-CG 4.33Å; V155-P198 HydrophobicContact CG2-CG 4Å; Y157-P198 WeakPolarHBondContact OH-CG 3.3Å; P198-L200 PolarHBondContact O-N 3.27Å
199K97.6Very high96.5Very high77 Ų7763 Ų6334%0.33531%0.314SS..EExtended strand (participates in β ladder)trans-92.595.1171.2-59.1-161.4-175.7-177.10108.6T73 R74 Y82 L197 I201T73-K199 WeakPolarHBondContact CA-O 3.4Å; T73-K199 PolarHBondContact OG1-N 2.95Å; T73-K199 PolarHBondContact OG1-O 3.29Å; R74-K199 HydrophobicContact CB-CB 4.35Å; R74-K199 PolarHBondContact N-O 3.33Å; R74-K199 PolarHBondContact O-N 3.41Å; Y82-K199 HydrophobicContact CE1-CD 3.95Å; Y82-K199 PolarHBondContact OH-NZ 3.48Å; L197-K199 PolarHBondContact O-N 3.33Å; K199-I201 PolarHBondContact O-N 2.61Å
200L97Very high96.1Very high108 Ų10863.2 Ų63.257%0.56533%0.326SS*.EExtended strand (participates in β ladder)trans-54.9133.6-179.7178.764.1000110.7I71 P198 E202I71-L200 HydrophobicContact CB-CD1 3.66Å; I71-L200 HydrophobicContact CD1-CD1 4.15Å; I71-L200 HydrophobicContact CG1-CD1 4.44Å; I71-L200 HydrophobicContact CG2-CD1 3.7Å; P198-L200 PolarHBondContact O-N 3.27Å; L200-E202 WeakPolarHBondContact CD1-O 3.35Å
201I97.4Very high95.7Very high72 Ų7263.1 Ų63.137%0.36932%0.321SS..EExtended strand (participates in β ladder)trans-104-59.7169.5-62.9166000108.3V72 R74 Q103 K199V72-I201 HydrophobicContact CB-CB 4.43Å; V72-I201 HydrophobicContact CG1-CB 4.32Å; V72-I201 HydrophobicContact CG1-CD1 4.08Å; V72-I201 WeakPolarHBondContact O-CB 3.47Å; V72-I201 PolarHBondContact O-N 3.26Å; R74-I201 HydrophobicContact CG-CD1 3.86Å; R74-I201 HydrophobicContact CG-CG1 4.5Å; Q103-I201 HydrophobicContact CG-CD1 3.74Å; K199-I201 PolarHBondContact O-N 2.61Å
202E97.1Very high95.2Very high115 Ų11560.5 Ų60.554%0.53731%0.311SS..EExtended strand (participates in β ladder)trans-153.6165.2-179.661.5179.3-172.100112I71 V72 L200I71-E202 CarbonylContact C-O 3.51Å; I71-E202 WeakPolarHBondContact CA-O 3.38Å; V72-E202 HydrophobicContact CB-CG 3.79Å; V72-E202 HydrophobicContact CG2-CG 3.82Å; V72-E202 PolarHBondContact N-O 2.86Å; V72-E202 PolarHBondContact O-N 3.5Å; L200-E202 WeakPolarHBondContact CD1-O 3.35Å
203V97.4Very high94.5Very high81 Ų8167 Ų6749%0.49134%0.342SS..EExtended strand (participates in β ladder)trans-95.4134.9172.6176.50000108.2K69 I71K69-V203 HydrophobicContact CD-CG1 4.33Å; K69-V203 VanDerWaalsContact CE-CG1 3.44Å; K69-V203 HydrophobicContact CG-CG1 3.89Å; I71-V203 HydrophobicContact CG2-CG2 4.3Å
204A95.3Very high93.3Very high22 Ų2269.7 Ų69.718%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-136151.1-177.600000111.9G70 V72 Y206G70-A204 PolarHBondContact N-O 3.28Å; G70-A204 PolarHBondContact O-N 2.97Å; G70-A204 VanDerWaalsContact O-N 3.09Å; V72-A204 HydrophobicContact CG2-CB 4.26Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.73Å; A204-Y206 WeakPolarHBondContact O-CE2 3.05Å
205M95.3Very high91.6Very high103 Ų10373.8 Ų73.851%0.50739%0.391SS..EExtended strand (participates in β ladder)trans-96.1126.3174.1-60.3-57.1-63.600109Q67 L68 K69Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.4Å; L68-M205 WeakPolarHBondContact O-CA 3.38Å; K69-M205 HydrophobicContact CB-CE 4.29Å; K69-M205 HydrophobicContact CB-SD 3.9Å; K69-M205 HydrophobicContact CG-SD 4Å
206Y94.1Very high89.2Confident28 Ų2882.8 Ų82.811%0.1143%0.433CS..EExtended strand (participates in β ladder)trans-115.6146.5-179.3-59.8-82.6000110.3Q67 L68 I71 V72 N105 I107 A204Q67-Y206 CarbonylContact C-O 3.58Å; Q67-Y206 WeakPolarHBondContact CA-O 3.27Å; L68-Y206 PolarHBondContact N-O 3.29Å; L68-Y206 PolarHBondContact O-N 3.29Å; I71-Y206 PolarHBondContact O-OH 3.39Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å; N105-Y206 HydrophobicContact CB-CE1 3.66Å; N105-Y206 WeakPolarHBondContact CB-OH 3.08Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.22Å; N105-Y206 PolarHBondContact OD1-OH 3.19Å; I107-Y206 HydrophobicContact CD1-CD1 3.91Å; I107-Y206 HydrophobicContact CD1-CE1 4.39Å; I107-Y206 HydrophobicContact CD1-CG 4.08Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 3.98Å; I107-Y206 HydrophobicContact CG1-CE1 4.28Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.84Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.31Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.73Å; A204-Y206 WeakPolarHBondContact O-CE2 3.05Å
207R92.4Very high86.8Confident172 Ų17291.6 Ų91.665%0.64948%0.475SS*.EExtended strand (participates in β ladder)trans-69.6146.5162.8-169.4179.7-170-174.14.1109E65 P209E65-R207 VanDerWaalsContact CD-NH2 3.34Å; E65-R207 IonicContact OE1-CZ 3.46Å; E65-R207 IonicContact OE1-NE 3.67Å; E65-R207 IonicContact OE1-NH2 2.69Å; E65-R207 PolarHBondContact OE1-NH2 3.07Å; E65-R207 WeakPolarHBondContact OE2-CD 3.35Å; E65-R207 IonicContact OE2-CZ 3.16Å; E65-R207 IonicContact OE2-NE 2.69Å; E65-R207 PolarHBondContact OE2-NE 2.96Å; E65-R207 IonicContact OE2-NH2 3.26Å; E65-R207 PolarHBondContact OE2-NH2 3.09Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.46Å
208E90.5Very high83.8Confident116 Ų11693.8 Ų93.854%0.54249%0.494SS..PPolyproline II helixtrans-58.6122.2170.6-172.9167.6-16900110.8L68L68-E208 HydrophobicContact CD1-CB 4.09Å; L68-E208 HydrophobicContact CD1-CG 4.24Å; L68-E208 HydrophobicContact CG-CB 4.47Å
209P91.7Very high81.3Confident18 Ų1897.2 Ų97.212%0.11752%0.517CS..PPolyproline II helixtrans-64.7136.5178.5-2334.6000111.8I107 V109 F139 R207 L211I107-P209 HydrophobicContact CD1-CG 4.46Å; I107-P209 HydrophobicContact CG2-CG 4.4Å; V109-P209 HydrophobicContact CG1-CG 4.38Å; F139-P209 HydrophobicContact CB-CB 3.77Å; F139-P209 HydrophobicContact CD1-CB 3.54Å; F139-P209 HydrophobicContact CD2-CB 4.27Å; F139-P209 HydrophobicContact CE1-CB 4.13Å; F139-P209 HydrophobicContact CG-CB 3.59Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-L211 PolarHBondContact O-N 3.39Å
210S88.9Confident78.5Confident84 Ų8499.5 Ų99.559%0.58754%0.54SS*.PPolyproline II helixtrans-72.2121176.345.50000111H212S210-H212 PolarHBondContact O-CE1 2.93Å; S210-H212 PolarHBondContact O-N 3.22Å; S210-H212 PolarHBondContact O-ND1 2.89Å; S210-H212 PolarHBondContact OG-CE1 3.23Å
211L89.4Confident75.9Confident92 Ų92105.7 Ų105.748%0.48256%0.555SS.*BIsolated β-bridgetrans-73.1124.9179.9-168.567.3000110.5F139 P141 P209F139-L211 HydrophobicContact CD1-CB 4.5Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.83Å; F139-L211 CarbonylContact O-C 3.58Å; F139-L211 WeakPolarHBondContact O-CA 3.24Å; P141-L211 HydrophobicContact CG-CD1 4.12Å; P209-L211 PolarHBondContact O-N 3.39Å
212H87.3Confident73.2Confident71 Ų71111.6 Ų111.633%0.32958%0.578SS.*  trans-110.6145.9174.2-65.769.1000110H138 F139 T140 P141 S210H138-H212 HydrophobicContact CB-CB 4.02Å; H138-H212 AromaticContact ND1-CD2 3.95Å; H138-H212 AromaticContact ND1-CE1 3.98Å; H138-H212 AromaticContact ND1-NE2 3.75Å; F139-H212 PolarHBondContact O-N 2.93Å; T140-H212 WeakPolarHBondContact CA-O 3.41Å; T140-H212 HydrophobicContact CG2-CB 4.44Å; P141-H212 VanDerWaalsContact CD-O 3.29Å; P141-H212 WeakPolarHBondContact CD-O 3.22Å; S210-H212 PolarHBondContact O-CE1 2.93Å; S210-H212 PolarHBondContact O-N 3.22Å; S210-H212 PolarHBondContact O-ND1 2.89Å; S210-H212 PolarHBondContact OG-CE1 3.23Å
213D81.9Confident70.5Confident149 Ų149112.2 Ų112.280%0.79759%0.59SS**  trans-72.1145174.4-66.9-41000110.6A215D213-A215 PolarHBondContact O-N 3Å
214V74.1Confident67.6Low64 Ų64113.8 Ų113.839%0.38860%0.602SS.*  trans-71.4114.5172.6-175.70000106.7E142 E216E142-V214 HydrophobicContact CG-CG2 4.01Å; V214-E216 PolarHBondContact O-N 3.38Å; V214-E216 VanDerWaalsContact O-N 3.09Å
215A62.2Low64.9Low85 Ų85122.8 Ų122.870%0.70264%0.637SS**  trans-63.6113.7172.200000108.7D213 Q217D213-A215 PolarHBondContact O-N 3Å; A215-Q217 PolarHBondContact O-N 3.4Å
216E50.1Low62Low189 Ų189124.3 Ų124.388%0.88365%0.652SS**  trans-61.8104.5167.6-74-173.6168.100107.8V214 S218V214-E216 PolarHBondContact O-N 3.38Å; V214-E216 VanDerWaalsContact O-N 3.09Å; E216-S218 PolarHBondContact O-N 2.71Å
217Q47.5Very low59.2Low186 Ų186127.9 Ų127.987%0.86968%0.681SS**  trans-66.592.2168.4-69.5-175.715.600107.5A215A215-Q217 PolarHBondContact O-N 3.4Å
218S34.8Very low56.4Low99 Ų99125 Ų12569%0.69269%0.687SS**  trans-53.6138.4167.558.70000109.5E216E216-S218 PolarHBondContact O-N 2.71Å
219P45.1Very low53.7Low110 Ų110127 Ų12771%0.71470%0.702SS**  trans-59.8144.3177.122.4-30.3000109.7R221P219-R221 PolarHBondContact O-N 2.97Å
220P40.1Very low51Low126 Ų126131.1 Ų131.182%0.81873%0.731SS**  trans-57.1115.9-178.721.7-31.2000109.1K222P220-K222 PolarHBondContact O-N 3.06Å
221R40.6Very low48.9Very low238 Ų238132.7 Ų132.790%0.89874%0.739SS**  trans-56.8109.2174.8-167.3178.5-166.8-163.83.6107.5P219 T223P219-R221 PolarHBondContact O-N 2.97Å; R221-T223 PolarHBondContact O-N 3.25Å
222K42Very low46.2Very low196 Ų196134.3 Ų134.385%0.85275%0.753SS**  trans-54.6115.1168.4-68.8180179.8177.80107.2P220P220-K222 PolarHBondContact O-N 3.06Å
223T40.2Very low43.9Very low127 Ų127138.2 Ų138.278%0.77978%0.775SS**  trans-62.3131.516942.20000108.3R221 K225R221-T223 PolarHBondContact O-N 3.25Å; T223-K225 PolarHBondContact O-N 3.39Å
224P36.3Very low41.5Very low114 Ų114137.6 Ų137.674%0.7477%0.772SS**  trans-67.8128.1173.7-1327.4000109T226P224-T226 PolarHBondContact O-N 3.29Å
225K38.3Very low39.6Very low212 Ų212141.7 Ų141.792%0.92279%0.792SS**  trans-65.8114.5164-66.2179.5178.3-178.90107.8T223T223-K225 PolarHBondContact O-N 3.39Å
226T34.4Very low38Very low135 Ų135141 Ų14183%0.82879%0.793SS**  trans-100.9125.4161.536.80000109.1P224P224-T226 PolarHBondContact O-N 3.29Å
227S35Very low37.3Very low102 Ų102141.5 Ų141.571%0.71379%0.792SS**  trans-71.2166.3177.746.80000113.6
228S34.1Very low36.6Very low112 Ų112141.2 Ų141.278%0.78379%0.788SS**  trans66.9134.7164.356.20000115.7
229D33Very low36.5Very low158 Ų158144.6 Ų144.685%0.84579%0.793SS**  cis-163.7153.424.5-148.8-7.8000108.5
230S36.5Very low36.2Very low104 Ų104144.3 Ų144.373%0.72780%0.8SS**  trans-97.2156.4169.8-560000109.1
231P44Very low35.9Very low117 Ų117146.9 Ų146.976%0.7680%0.801SS**  -155.115184.333.1-10.1000118.6
232V33.8Very low35.7Very low126 Ų126141.3 Ų141.376%0.76480%0.798SS**  trans61.7116.6130.9-174.80000121.3
233L37.2Very low35.4Very low154 Ų154141 Ų14181%0.80680%0.797SS**  177.2120.5114.7-94.1166.2000114.4
234N33.1Very low35.2Very low136 Ų136140.7 Ų140.773%0.72780%0.795SS**  trans31.6126.4137.6-1030.7000122.9
235N32.4Very low35.3Very low149 Ų149144.9 Ų144.980%0.79780%0.802SS**  174.6121.491-104.2-13.4000114.7
236G30.5Very low35.4Very low71 Ų71141.4 Ų141.473%0.73280%0.799SS**  51.6118.6127.300000124
237K34.2Very low35.9Very low200 Ų200140.2 Ų140.287%0.8780%0.796SS**  171.9110.6117.5-98.8174.8177.8175.70109.7
238K34.1Very low36.4Very low179 Ų179144.6 Ų144.678%0.77883%0.826SS**  86.7107.893.6-91.5-162.2176.1-1680114.9
239E31.2Very low36.5Very low171 Ų171146.3 Ų146.380%0.79983%0.829SS**  trans33128.8136.2-66.8176.7132.600121.3
240A38.6Very low36.7Very low103 Ų103145.6 Ų145.685%0.85183%0.828SS**  -163136.3112.500000111.7
241Q34.3Very low36.7Very low180 Ų180147.9 Ų147.984%0.84183%0.833SS**  trans-72.2150.5176.8-64.3165.7-8.600112.1
242S36.8Very low36.3Very low122 Ų122149.8 Ų149.885%0.85384%0.838SS**  -163.2136124.850.20000111.9
243K36.1Very low36.5Very low188 Ų188151.3 Ų151.382%0.81784%0.842SS**  trans-58156.3172.9-60.7160.6177.2175.90108.8
244T35.4Very low36.4Very low121 Ų121151.1 Ų151.174%0.74285%0.845SS**  170.6132.669.5-40.30000107.8
245K38.5Very low36.7Very low202 Ų202152.1 Ų152.188%0.87885%0.853SS**  155.9127117.3-90-171.5176.7177.80112.6
246T39.7Very low37Very low140 Ų140152.4 Ų152.486%0.85986%0.857SS**  trans-85.7142.1179.9-32.90000111.5
247S45.7Very low37.5Very low110 Ų110159.2 Ų159.277%0.76987%0.868SS**  trans170.2119139.754.90000105.4
248S45.6Very low37.8Very low194 Ų194155.5 Ų155.5100%1.35787%0.868SS**  cis-149.5034.7-65.50000111.4

Retrieved 248 of 248 residues in 122.1 ms (Link to these results)