A0A087XFP4_POEFO Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A087XFP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 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
1M42.8Very low52.7Low251 Ų251134.5 Ų134.5100%1.23677%0.765SS**  088.30-177.9-174.8-74.400108.9
2A46.2Very low52.5Low107 Ų107139.3 Ų139.388%0.88477%0.771SS**  trans-175.583.9172.300000110.5
3A54.8Low52.4Low90 Ų90144.6 Ų144.674%0.74477%0.772SS**  trans-147.729.1179.800000113.5
4I53.1Low52.3Low152 Ų152144 Ų14478%0.77976%0.762SS**  trans-122.835.7-169.8-36.2-177.8000112
5A53.3Low51.8Low83 Ų83140 Ų14069%0.68676%0.758SS**SBendtrans-118.5-8.6176.500000114.1
6S54.6Low51.7Low101 Ų101146.1 Ų146.171%0.70677%0.766SS**SBendtrans-92.8-19.2-171-38.90000114.5
7S53.5Low51.6Low77 Ų77147.1 Ų147.154%0.53877%0.766SS.*SBendtrans-83.9-30.4-169.245.20000114.5I9 R10S7-I9 PolarHBondContact O-N 3.37Å; S7-R10 PolarHBondContact O-N 3.06Å
8L55.6Low51.5Low129 Ų129144.7 Ų144.768%0.67576%0.764SS**THydrogen-bonded Turntrans-70.1-13.7-174.2-75.7167.2000114.8
9I55.8Low51.1Low142 Ų142145.5 Ų145.573%0.72877%0.769SS**THydrogen-bonded Turntrans-86.9-26-177.8-61.7176.9000112.3S7S7-I9 PolarHBondContact O-N 3.37Å
10R56.2Low50.5Low211 Ų211142.4 Ų142.480%0.79676%0.759SS**THydrogen-bonded Turntrans-79.1-34.3-178.6-82.5-171.8172.9-162.7-1.6114.1S7 K12 R13S7-R10 PolarHBondContact O-N 3.06Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.44Å; R10-R13 PolarHBondContact O-N 3.46Å
11Q53.6Low49.9Very low136 Ų136142 Ų14264%0.63676%0.758SS**Hα-helixtrans-63.2-31.5-178.6-76.3-179.4-34.200113.3R13 Q14Q11-R13 PolarHBondContact O-N 3.23Å; Q11-Q14 PolarHBondContact O-N 3.02Å
12K50Low49.9Very low193 Ų193142.2 Ų142.284%0.83975%0.745SS**Hα-helixtrans-73.9-4.8-177.3-146.7172.9-173.6175.40114.6R10R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.44Å
13R51.7Low49.4Very low208 Ų208143.5 Ų143.579%0.78574%0.741SS**Hα-helixtrans-96.2-33.8172.2-114.1-179.7177.7176.5-1.8113.4R10 Q11 A15 R16R10-R13 PolarHBondContact O-N 3.46Å; Q11-R13 PolarHBondContact O-N 3.23Å; R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 3.38Å; R13-R16 PolarHBondContact O-N 3.38Å
14Q50.8Low48.5Very low136 Ų136144.7 Ų144.764%0.63674%0.744SS**Hα-helixtrans-72.6-24.8-176.5-70.9177.3-44.400113.4Q11 R16 E17Q11-Q14 PolarHBondContact O-N 3.02Å; Q14-R16 PolarHBondContact O-N 3.44Å; Q14-E17 PolarHBondContact O-N 3.37Å
15A44.3Very low48Very low84 Ų84144 Ų14469%0.69475%0.747SS**THydrogen-bonded Turntrans-69.25.4174.400000115R13R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 3.38Å
16R50.9Low47.1Very low238 Ų238146 Ų14690%0.89876%0.756SS**THydrogen-bonded Turntrans-109.7-5.4173.6-106-171.8179-158.1-0.6114.6R13 Q14R13-R16 PolarHBondContact O-N 3.38Å; Q14-R16 PolarHBondContact O-N 3.44Å
17E49.3Very low46.2Very low162 Ų162150.1 Ų150.176%0.75776%0.761SS**THydrogen-bonded Turntrans-113.8-4.9-171.5-68.5173.3167.500113.1Q14Q14-E17 PolarHBondContact O-N 3.37Å
18S50Low45.6Very low104 Ų104158.4 Ų158.473%0.72778%0.78SS**SBendtrans-102.726.1-176.371.90000115
19N43.6Very low44.9Very low161 Ų161163.4 Ų163.486%0.86179%0.79SS**  trans-126.871.3172.4-167.537.1000109.8
20S40.6Very low44.2Very low83 Ų83162.4 Ų162.458%0.5879%0.793SS**  trans-86160.7172.471.10000111.2
21D37.1Very low43.3Very low135 Ų135157.7 Ų157.772%0.72279%0.793SS**  trans63.383.2152-46.8-43.2000119.3
22R43.3Very low42.9Very low255 Ų255157.5 Ų157.596%0.96280%0.803SS**  -126.2127.6128.1-81.3-162.7172.7-177.1-1.4112.5
23V35.3Very low42.3Very low134 Ų134153.5 Ų153.581%0.81280%0.799SS**  trans-75.2141.1-173.6168.10000112
24S36.9Very low41.5Very low115 Ų115152.6 Ų152.680%0.80480%0.801SS**  -178.3154.4120.347.60000113
25T41.8Very low40.7Very low137 Ų137152.4 Ų152.484%0.8480%0.804SS**  trans-89.2140.2-171.848.40000111.5
26S34.7Very low40.7Very low124 Ų124152.9 Ų152.987%0.86780%0.8SS**  trans-141.4137.6157.7-164.40000111.4
27K35.8Very low39.8Very low189 Ų189153.1 Ų153.182%0.82280%0.801SS**  trans-86.6144.3-166.6-65.5173.8177.9175.20110.8R29K27-R29 PolarHBondContact O-N 3.18Å
28R40.9Very low38.9Very low251 Ų251150.4 Ų150.495%0.94780%0.8SS**  trans-51.7131.4158.8-78.4179.1168.9179.2-3.7109.6
29R40.6Very low38.4Very low234 Ų234152.7 Ų152.788%0.88380%0.803SS**  trans-138.8147.8158.3-87.7-169168.5179.8-4110.9K27K27-R29 PolarHBondContact O-N 3.18Å
30P40.1Very low38.1Very low120 Ų120151.5 Ų151.578%0.77981%0.806SS**  trans-90.3175.2-172.237.7-36.9000113.2
31S38.8Very low37.8Very low113 Ų113154.7 Ų154.779%0.7981%0.812SS**  trans-66.9145.8174.338.50000113.6
32P44.4Very low38.1Very low132 Ų132159.8 Ų159.886%0.85782%0.821SS**  trans-95149170.335.8-31.6000112.6
33S36.3Very low38.1Very low108 Ų108154.7 Ų154.776%0.75581%0.808SS**  trans-128.7136.2173.151.80000110.3
34K35.8Very low38.2Very low190 Ų190158.3 Ų158.383%0.82681%0.813SS**  trans61.2151167.7-72.6-177.8165.3-167.10115.7
35D34Very low38.5Very low131 Ų131160.2 Ų160.270%0.70181%0.813SS**  cis-166.9-168.8-0.1-107.2-28.4000104.5
36P44.1Very low38.4Very low94 Ų94156.9 Ų156.961%0.6181%0.806SS**  cis-133172.2-25.840.5-24.9000114.6
37R32.5Very low38.7Very low244 Ų244157.1 Ų157.192%0.92180%0.802SS**  trans63.1154165.4-54.2169.8-152.7-154.96.6114.1
38S30.8Very low38.9Very low105 Ų105158 Ų15873%0.73481%0.806SS**  cis-150.2178.8-4.685.70000106.9
39L38.2Very low38.9Very low151 Ų151151.2 Ų151.279%0.79180%0.797SS**  cis-155.4128.95.5-128.2173.1000106.1
40C37.2Very low39Very low136 Ų136149.9 Ų149.992%0.91980%0.798SS**  trans-158.6112.4158.6-148.60000110.8
41E35.3Very low39Very low151 Ų151151 Ų15171%0.70680%0.802SS**  trans-89.5129.1-169.9178.6178.9-173.600111
42R43.8Very low39.3Very low242 Ų242156.3 Ų156.391%0.91381%0.805SS**  trans-157.8120.3157.2-109.6163.4-157.1-161.54.4110.7
43H42.8Very low38.9Very low148 Ų148159.8 Ų159.869%0.68581%0.807SS**  trans-60137.6-179.4-84.3-135.6000113
44F38.3Very low39Very low209 Ų209160.1 Ų160.192%0.91781%0.808SS**  trans-14191.3151.2-95.8-80.5000110.2
45L43Very low39.2Very low156 Ų156156.7 Ų156.782%0.81781%0.808SS**  trans-73.3145.5149.7-61.2163000106.1
46G38.7Very low39.6Very low67 Ų67154.2 Ų154.269%0.69181%0.813SS**  cis133.872.215.600000108.8
47V41.7Very low39.5Very low129 Ų129160 Ų16078%0.78283%0.829SS**  trans-136.9112178.1-176.20000110.2
48F40Very low39.9Very low207 Ų207158.1 Ų158.191%0.90883%0.827SS**  trans-100.3107.1171-81.5-87.3000110.3K50F48-K50 PolarHBondContact O-N 3.31Å
49S41.2Very low40.4Very low109 Ų109164.8 Ų164.876%0.76284%0.836SS**  trans-78.688.2176.2-59.40000111.6V51S49-V51 PolarHBondContact O-N 3.29Å
50K41.6Very low40.5Very low206 Ų206163.6 Ų163.690%0.89684%0.838SS**  trans-83.2104.8175.4-174.3173-173.1166.90110.4F48F48-K50 PolarHBondContact O-N 3.31Å
51V41.6Very low40.6Very low142 Ų142163.3 Ų163.386%0.86183%0.831SS**  trans-110.5140173.8-170.40000110.8S49S49-V51 PolarHBondContact O-N 3.29Å
52R44.2Very low40.7Very low225 Ų225166.9 Ų166.985%0.84984%0.838SS**  trans-101.9142-158-158.4-178.8-147.8140.6-0.4111.8C54R52-C54 PolarHBondContact O-N 3.47Å
53F36.3Very low40.7Very low205 Ų205166.7 Ų166.790%0.89984%0.838SS**  trans-61.6125.7167.5-129.3-102.9000110.3
54C37.6Very low40.4Very low116 Ų116170.1 Ų170.178%0.78485%0.845SS**  trans-134.6113.7168-79.70000110.1R52R52-C54 PolarHBondContact O-N 3.47Å
55S39.7Very low40.7Very low117 Ų117165.1 Ų165.182%0.81883%0.833SS**  trans-84123.3179.438.90000111.4
56G42.7Very low40.5Very low79 Ų79165.6 Ų165.681%0.81483%0.831SS**  trans-122.482.5-179.700000113K58G56-K58 PolarHBondContact O-N 3.2Å
57K42.9Very low40.6Very low216 Ų216169.6 Ų169.694%0.93984%0.837SS**  trans-75.5112.8171.4-73.6177.8178172.80110.3
58K39.7Very low40.8Very low205 Ų205168 Ų16889%0.89184%0.837SS**  trans-135.5128.9154.5-70.1-165.6177.7-176.70110.1G56G56-K58 PolarHBondContact O-N 3.2Å
59R42.3Very low41.1Very low244 Ų244163.9 Ų163.992%0.92183%0.831SS**PPolyproline II helixtrans-86.1131.1-179.5-66.8173.6171.4170.7-4.5109.9
60P39.9Very low41.3Very low126 Ų126167 Ų16782%0.81884%0.839SS**PPolyproline II helixtrans-74.3147.2161.7-14.530.7000111.1
61V40.1Very low41.4Very low130 Ų130166 Ų16679%0.78883%0.834SS**PPolyproline II helixtrans-74.9139.4-179172.30000111.3R63V61-R63 PolarHBondContact O-N 3.28Å
62R36.5Very low41.7Very low226 Ų226164.4 Ų164.485%0.85383%0.826SS**  trans-67.3112.4175-165.1-174.1-158.9-177.56.6110
63R43.2Very low41.7Very low238 Ų238159.2 Ų159.290%0.89882%0.822SS**  trans-115.9141.6161.1-70.4-172.5177.4177.7-1109V61V61-R63 PolarHBondContact O-N 3.28Å
64R36.9Very low41.8Very low221 Ų221158 Ų15883%0.83482%0.819SS**  trans-95.9164.5176.8-103.2-167.4-179.3-175.81.4110.1
65P45.9Very low42.2Very low104 Ų104157.7 Ų157.768%0.67581%0.813SS**  trans-85.9159.5-155.336.7-37.4000112.7
66E38.8Very low42.3Very low165 Ų165156.5 Ų156.577%0.77181%0.805SS**  trans-151161.4132.8-82.4-50.9111.800106.2
67D40.8Very low42.7Very low151 Ų151160.8 Ų160.881%0.80780%0.804SS**  trans5972.8168.8-54.6-34000118.6
68A45.3Very low43Very low95 Ų95159.1 Ų159.179%0.78580%0.796SS**  trans-86.2124.4160.100000110.8L70A68-L70 PolarHBondContact O-N 3.01Å
69P46.6Very low43.5Very low121 Ų121152.3 Ų152.379%0.78678%0.784SS**  trans-62.4135.2172.8-21.632.9000111.3K71P69-K71 PolarHBondContact O-N 3.28Å
70L44.4Very low43.5Very low176 Ų176146.5 Ų146.592%0.92178%0.78SS**  trans-54.2112.1174.1-74.2157.3000109.9A68A68-L70 PolarHBondContact O-N 3.01Å
71K43.1Very low44.2Very low183 Ų183150.8 Ų150.880%0.79678%0.78SS**PPolyproline II helixtrans-61.9131.2168.5-74179.4177.6175.40108.1P69P69-K71 PolarHBondContact O-N 3.28Å
72P47.8Very low45.2Very low109 Ų109152.3 Ų152.371%0.70878%0.783SS**PPolyproline II helixtrans-57.6148.7168.526-33.4000109.1Q74P72-Q74 PolarHBondContact O-N 3.32Å
73P44.1Very low46.5Very low116 Ų116145.4 Ų145.475%0.75376%0.76SS**PPolyproline II helixtrans-56128.5-176.923.2-33.3000109.1V75P73-V75 VanDerWaalsContact C-N 3.25Å; P73-V75 PolarHBondContact O-N 2.81Å
74Q40Very low47.7Very low180 Ų180137.4 Ų137.484%0.84174%0.739SS**  trans-66.396.9167.7-69.5-153.5-2.500107.4P72 S76P72-Q74 PolarHBondContact O-N 3.32Å; Q74-S76 PolarHBondContact O-N 3.06Å
75V45.6Very low50Low109 Ų109132.8 Ų132.866%0.66173%0.727SS**  trans-55103.6155.9178.30000104.5P73 H77P73-V75 VanDerWaalsContact C-N 3.25Å; P73-V75 PolarHBondContact O-N 2.81Å; V75-H77 PolarHBondContact O-N 2.98Å
76S41.8Very low52.2Low93 Ų93129.4 Ų129.465%0.6570%0.703SS**  trans-60.499.5164.5-178.20000104.9Q74 K78Q74-S76 PolarHBondContact O-N 3.06Å; S76-K78 PolarHBondContact O-N 2.98Å
77H50.3Low54.9Low169 Ų169128.6 Ų128.678%0.78270%0.697SS**  trans-60.580151.9-73.9-74.4000105.6V75 G79V75-H77 PolarHBondContact O-N 2.98Å; H77-G79 PolarHBondContact O-N 3.09Å
78K49.6Very low57.6Low180 Ų180121.6 Ų121.678%0.78366%0.66SS**  trans-4999.9147.5-75.3-174.3176.9-178.90103S76 C80S76-K78 PolarHBondContact O-N 2.98Å; K78-C80 PolarHBondContact O-N 2.88Å; K78-C80 VanDerWaalsContact O-N 3.07Å
79G49.6Very low60.1Low62 Ų62119.1 Ų119.164%0.63963%0.634SS**  trans-51.1126-175.400000106.5H77 R81H77-G79 PolarHBondContact O-N 3.09Å; G79-R81 PolarHBondContact O-N 3.02Å
80C44.1Very low62.6Low123 Ų123114 Ų11483%0.83160%0.6SS**  trans-57.199.1175.2-66.40000105.9K78 L82K78-C80 PolarHBondContact O-N 2.88Å; K78-C80 VanDerWaalsContact O-N 3.07Å; C80-L82 VanDerWaalsContact C-N 3.29Å; C80-L82 PolarHBondContact O-N 3.1Å
81R52.8Low65.2Low216 Ų216105.7 Ų105.782%0.81556%0.556SS**  trans-57109.3161.8-89.9-172168.3-136.5-0.4103.1G79 E83G79-R81 PolarHBondContact O-N 3.02Å; R81-E83 PolarHBondContact O-N 3.04Å
82L61.2Low67.8Low161 Ų16199 Ų9984%0.84353%0.526SS*.  trans-58.298.7158.5-63172.4000103.6C80C80-L82 VanDerWaalsContact C-N 3.29Å; C80-L82 PolarHBondContact O-N 3.1Å
83E64.6Low70.2Confident81 Ų8193.9 Ų93.938%0.37949%0.493SS..  trans-48.9136.2175.8-76.3-76110.500107.4R81 Q85 R225R81-E83 PolarHBondContact O-N 3.04Å; E83-Q85 WeakPolarHBondContact O-CG 3.3Å; E83-Q85 PolarHBondContact O-N 3.03Å; E83-R225 IonicContact OE2-CZ 2.7Å; E83-R225 IonicContact OE2-NE 3.18Å; E83-R225 PolarHBondContact OE2-NE 3.1Å; E83-R225 IonicContact OE2-NH2 3.79Å; E83-R225 PolarHBondContact OE2-NH2 3.27Å
84P67.8Low72.8Confident70 Ų7091 Ų9146%0.45547%0.468SS..  trans-54.5106.1-179.9-26.935.4000110.7E226P84-E226 PolarHBondContact O-N 2.78Å
85Q85.3Confident75.6Confident124 Ų12482.4 Ų82.458%0.57943%0.428SS*.EExtended strand (participates in β ladder)trans-92.6110178.3-65.1-168.80.600108.9E83 M223 Y224E83-Q85 WeakPolarHBondContact O-CG 3.3Å; E83-Q85 PolarHBondContact O-N 3.03Å; Q85-M223 HydrophobicContact CB-CB 4.33Å; Q85-M223 HydrophobicContact CB-CE 3.48Å; Q85-M223 VanDerWaalsContact CB-CE 3.48Å; Q85-M223 WeakPolarHBondContact O-CE 3.04Å; Q85-Y224 CarbonylContact C-O 3.54Å; Q85-Y224 VanDerWaalsContact CA-O 3.31Å; Q85-Y224 WeakPolarHBondContact CA-O 2.97Å
86L92.7Very high78.1Confident33 Ų3380.9 Ų80.917%0.17341%0.414CS..EExtended strand (participates in β ladder)trans-77.7122.2175.4-58.4177.3000109.2G88 I125 P126 V127 Y224 E226L86-G88 PolarHBondContact O-N 2.89Å; L86-I125 HydrophobicContact CB-CG2 4.29Å; L86-I125 HydrophobicContact CD1-CG2 3.76Å; L86-P126 HydrophobicContact CB-CG 4.39Å; L86-P126 WeakPolarHBondContact CD1-O 3.34Å; L86-V127 HydrophobicContact CD1-CG1 4.43Å; L86-Y224 PolarHBondContact N-O 3.26Å; L86-Y224 PolarHBondContact O-N 3.47Å; L86-E226 HydrophobicContact CD1-CB 4.1Å; L86-E226 HydrophobicContact CD1-CG 4.24Å; L86-E226 HydrophobicContact CG-CB 4.34Å
87K96Very high80.8Confident149 Ų14978.3 Ų78.365%0.64839%0.392SS*.EExtended strand (participates in β ladder)trans-80.995.8175.4-175177.1-178.4177.50109.9P126 V221 M223K87-P126 WeakPolarHBondContact O-CG 3.33Å; K87-V221 HydrophobicContact CD-CG1 4.27Å; K87-V221 HydrophobicContact CG-CG1 3.85Å; K87-M223 HydrophobicContact CB-CE 4.11Å; K87-M223 HydrophobicContact CB-SD 3.9Å; K87-M223 HydrophobicContact CG-SD 4Å
88G97Very high83.1Confident4 Ų472 Ų724%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-106-165.5176.300000112.6L86 L124 C222L86-G88 PolarHBondContact O-N 2.89Å; G88-L124 VanDerWaalsContact CA-O 3.32Å; G88-L124 WeakPolarHBondContact CA-O 3.31Å; G88-C222 PolarHBondContact N-O 3.44Å; G88-C222 PolarHBondContact O-N 3.33Å
89I98Very high85.5Confident43 Ų4364.5 Ų64.522%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-134.2152.7176.259.9174.5000111.4T91 L124 P218 E220 V221 Y224I89-T91 HydrophobicContact CD1-CG2 4.18Å; I89-T91 HydrophobicContact CG1-CG2 4.3Å; I89-L124 HydrophobicContact CD1-CB 4.39Å; I89-L124 HydrophobicContact CD1-CD2 4.39Å; I89-L124 HydrophobicContact CG1-CB 3.72Å; I89-L124 PolarHBondContact N-O 3.04Å; I89-L124 PolarHBondContact O-N 3.19Å; I89-P218 HydrophobicContact CD1-CB 4.18Å; I89-P218 HydrophobicContact CD1-CG 4.11Å; I89-E220 CarbonylContact C-O 3.51Å; I89-E220 VanDerWaalsContact CA-O 3.27Å; I89-E220 WeakPolarHBondContact CA-O 3.33Å; I89-E220 WeakPolarHBondContact CB-O 3.02Å; I89-V221 HydrophobicContact CG2-CG2 4.13Å; I89-Y224 PolarHBondContact O-OH 3.31Å
90V98.5Very high87.8Confident14 Ų1462 Ų629%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-90130.3157178.20000107.2F122 V137 I219 E220 Y224V90-F122 WeakPolarHBondContact CA-O 3.47Å; V90-V137 HydrophobicContact CG1-CG2 4.23Å; V90-I219 HydrophobicContact CG1-CD1 4.4Å; V90-I219 PolarHBondContact O-N 3.02Å; V90-E220 HydrophobicContact CB-CG 3.93Å; V90-E220 HydrophobicContact CG2-CG 4.15Å; V90-E220 PolarHBondContact N-O 3.12Å; V90-E220 PolarHBondContact O-N 3.08Å; V90-Y224 WeakPolarHBondContact CG2-OH 3.45Å
91T98.6Very high90.4Very high0 Ų056.1 Ų56.10%027%0.271CS..EExtended strand (participates in β ladder)trans-150.4153.2-172.5-169.40000111.6I89 L93 F122 L124 R217I89-T91 HydrophobicContact CD1-CG2 4.18Å; I89-T91 HydrophobicContact CG1-CG2 4.3Å; T91-L93 HydrophobicContact CG2-CD2 4.19Å; T91-F122 PolarHBondContact N-O 3.19Å; T91-F122 PolarHBondContact O-N 2.82Å; T91-L124 HydrophobicContact CG2-CB 4Å; T91-L124 HydrophobicContact CG2-CD1 4.13Å; T91-L124 HydrophobicContact CG2-CD2 4.35Å; T91-L124 HydrophobicContact CG2-CG 4.39Å; T91-R217 WeakPolarHBondContact CA-O 3.37Å; T91-R217 PolarHBondContact OG1-N 2.82Å; T91-R217 PolarHBondContact OG1-O 2.81Å; T91-R217 VanDerWaalsContact OG1-O 3.1Å
92R98.6Very high92.6Very high44 Ų4446.6 Ų46.617%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-92.9147.1159.8-64.1-176.7171.397.4-2.5109.5Y100 E115 T120 L121 P216 R217 I219R92-Y100 HydrophobicContact CB-CD1 3.9Å; R92-Y100 HydrophobicContact CB-CE1 4.15Å; R92-E115 PolarHBondContact NE-O 2.94Å; R92-E115 PolarHBondContact NH2-O 3.23Å; R92-T120 PolarHBondContact NE-OG1 2.86Å; R92-L121 HydrophobicContact CG-CD2 4.12Å; R92-P216 CarbonylContact O-C 3.54Å; R92-P216 WeakPolarHBondContact O-CA 3.35Å; R92-R217 HydrophobicContact CB-CB 4.36Å; R92-R217 PolarHBondContact N-O 3.4Å; R92-R217 PolarHBondContact O-N 2.78Å; R92-I219 HydrophobicContact CG-CD1 4.37Å
93L98.7Very high94.4Very high0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-109.697.5175.4-65.6179.4000109.8T91 L101 L124 I134 Y175 F214 P216T91-L93 HydrophobicContact CG2-CD2 4.19Å; L93-L101 HydrophobicContact CB-CB 4.05Å; L93-L101 HydrophobicContact CB-CD2 4.38Å; L93-L101 HydrophobicContact CD1-CD2 3.92Å; L93-L101 PolarHBondContact O-N 2.8Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD2-CD1 4.45Å; L93-I134 HydrophobicContact CD1-CD1 4.33Å; L93-I134 HydrophobicContact CD1-CG2 4.12Å; L93-Y175 HydrophobicContact CD1-CE2 4.1Å; L93-Y175 HydrophobicContact CD2-CE2 4.09Å; L93-Y175 WeakPolarHBondContact CD2-OH 3.31Å; L93-F214 HydrophobicContact CB-CD1 4.18Å; L93-P216 HydrophobicContact CD2-CB 4.13Å; L93-P216 HydrophobicContact CD2-CG 4.13Å
94F98.8Very high95.9Very high55 Ų5538.2 Ų38.224%0.24119%0.192CC..EExtended strand (participates in β ladder)trans-84.3116.3179.6-175-108.4000110.8Y100 F214 V215F94-Y100 HydrophobicContact CB-CD1 4.05Å; F94-Y100 HydrophobicContact CB-CE1 3.76Å; F94-Y100 AromaticContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD2 4.29Å; F94-Y100 AromaticContact CD2-CE1 3.58Å; F94-Y100 HydrophobicContact CD2-CE1 3.58Å; F94-Y100 AromaticContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CG 4.22Å; F94-Y100 AromaticContact CD2-CZ 3.61Å; F94-Y100 HydrophobicContact CE2-CE2 4.31Å; F94-Y100 HydrophobicContact CG-CD1 4.48Å; F94-Y100 HydrophobicContact CG-CE1 4.06Å; F94-F214 CarbonylContact O-C 3.46Å; F94-F214 VanDerWaalsContact O-CA 3.31Å; F94-F214 WeakPolarHBondContact O-CA 3.32Å; F94-V215 PolarHBondContact N-O 2.8Å; F94-V215 PolarHBondContact O-N 3.1Å
95S98.7Very high97.3Very high0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-76.5143.1175.9-174.50000111.4Q97 G98 F99 H213S95-Q97 PolarHBondContact O-N 2.72Å; S95-Q97 WeakPolarHBondContact OG-CB 3.38Å; S95-Q97 WeakPolarHBondContact OG-CG 3.48Å; S95-Q97 PolarHBondContact OG-N 3.07Å; S95-G98 PolarHBondContact O-N 2.81Å; S95-F99 WeakPolarHBondContact CB-O 3.46Å; S95-F99 PolarHBondContact N-O 2.84Å; S95-H213 WeakPolarHBondContact CA-O 3.43Å
96Q98.6Very high97.8Very high77 Ų7737.9 Ų37.936%0.3620%0.195SC..THydrogen-bonded Turntrans-56.7-19.6169.9-167.3-174.2-1.700112.3G98 Y172 P210 H213Q96-G98 PolarHBondContact O-N 2.9Å; Q96-Y172 HydrophobicContact CB-CE1 3.93Å; Q96-Y172 VanDerWaalsContact CD-CZ 3.45Å; Q96-Y172 HydrophobicContact CG-CE1 3.92Å; Q96-Y172 PolarHBondContact NE2-OH 3.39Å; Q96-P210 HydrophobicContact CB-CB 4.26Å; Q96-P210 HydrophobicContact CG-CB 4.18Å; Q96-H213 HydrophobicContact CB-CB 3.9Å; Q96-H213 PolarHBondContact N-O 3.15Å; Q96-H213 PolarHBondContact OE1-ND1 2.83Å
97Q98.3Very high97.9Very high40 Ų4036.6 Ų36.619%0.18719%0.19CC..THydrogen-bonded Turntrans-66.9-9174.3-59.8-68.3107.200114S95 F99 T194 K195S95-Q97 PolarHBondContact O-N 2.72Å; S95-Q97 WeakPolarHBondContact OG-CB 3.38Å; S95-Q97 WeakPolarHBondContact OG-CG 3.48Å; S95-Q97 PolarHBondContact OG-N 3.07Å; Q97-F99 HydrophobicContact CB-CD2 4.24Å; Q97-F99 WeakPolarHBondContact O-CD2 3.34Å; Q97-F99 WeakPolarHBondContact O-CE2 3.25Å; Q97-T194 WeakPolarHBondContact CB-O 3.38Å; Q97-T194 WeakPolarHBondContact CG-O 3.33Å; Q97-T194 PolarHBondContact NE2-O 2.7Å; Q97-K195 VanDerWaalsContact NE2-CA 3.28Å; Q97-K195 VanDerWaalsContact NE2-N 3.17Å
98G98.4Very high98Very high36 Ų3632.4 Ų32.437%0.37118%0.177SC..THydrogen-bonded Turntrans93.924.5177.400000114.9S95 Q96S95-G98 PolarHBondContact O-N 2.81Å; Q96-G98 PolarHBondContact O-N 2.9Å
99F98.8Very high98.1Very high23 Ų2332.9 Ų32.910%0.10118%0.178CC..EExtended strand (participates in β ladder)trans-135.6143-178.1-60.9-97.3000110.4S95 Q97 G111 S112 K113 L193 K195S95-F99 WeakPolarHBondContact CB-O 3.46Å; S95-F99 PolarHBondContact N-O 2.84Å; Q97-F99 HydrophobicContact CB-CD2 4.24Å; Q97-F99 WeakPolarHBondContact O-CD2 3.34Å; Q97-F99 WeakPolarHBondContact O-CE2 3.25Å; F99-G111 VanDerWaalsContact CD1-O 3.32Å; F99-G111 WeakPolarHBondContact CD1-O 3.47Å; F99-S112 CarbonylContact C-O 3.57Å; F99-S112 WeakPolarHBondContact CA-O 3.43Å; F99-K113 HydrophobicContact CD1-CG 3.86Å; F99-K113 HydrophobicContact CE1-CD 4.36Å; F99-K113 HydrophobicContact CE1-CG 3.9Å; F99-L193 HydrophobicContact CB-CD1 4.27Å; F99-K195 WeakPolarHBondContact CE2-O 3.44Å
100Y98.8Very high98.1Very high8 Ų832.1 Ų32.13%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-71.7133.3159.1-67.9-73.4000109.1R92 F94 Q102 G111 S112 E115 T120 R217R92-Y100 HydrophobicContact CB-CD1 3.9Å; R92-Y100 HydrophobicContact CB-CE1 4.15Å; F94-Y100 HydrophobicContact CB-CD1 4.05Å; F94-Y100 HydrophobicContact CB-CE1 3.76Å; F94-Y100 AromaticContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD2 4.29Å; F94-Y100 AromaticContact CD2-CE1 3.58Å; F94-Y100 HydrophobicContact CD2-CE1 3.58Å; F94-Y100 AromaticContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CG 4.22Å; F94-Y100 AromaticContact CD2-CZ 3.61Å; F94-Y100 HydrophobicContact CE2-CE2 4.31Å; F94-Y100 HydrophobicContact CG-CD1 4.48Å; F94-Y100 HydrophobicContact CG-CE1 4.06Å; Y100-Q102 PolarHBondContact O-N 2.83Å; Y100-G111 CarbonylContact O-C 3.53Å; Y100-G111 VanDerWaalsContact O-CA 3.26Å; Y100-G111 WeakPolarHBondContact O-CA 3.47Å; Y100-S112 PolarHBondContact N-O 3.21Å; Y100-S112 PolarHBondContact O-N 3.32Å; Y100-E115 HydrophobicContact CD2-CB 4.19Å; Y100-E115 HydrophobicContact CE1-CG 4.46Å; Y100-E115 HydrophobicContact CE2-CB 3.53Å; Y100-E115 HydrophobicContact CE2-CG 3.74Å; Y100-E115 PolarHBondContact OH-OE1 2.92Å; Y100-E115 PolarHBondContact OH-OE2 2.98Å; Y100-T120 HydrophobicContact CG-CG2 4.43Å; Y100-R217 PolarHBondContact OH-NE 3.45Å; Y100-R217 PolarHBondContact OH-NH1 3.22Å; Y100-R217 PolarHBondContact OH-NH2 2.85Å
101L98.8Very high98.1Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-56140.4162.5-170.267.9000108.3L93 I109 T120 F122 I143 L191 L193 F214L93-L101 HydrophobicContact CB-CB 4.05Å; L93-L101 HydrophobicContact CB-CD2 4.38Å; L93-L101 HydrophobicContact CD1-CD2 3.92Å; L93-L101 PolarHBondContact O-N 2.8Å; L101-I109 HydrophobicContact CD1-CG2 4.04Å; L101-T120 WeakPolarHBondContact O-CA 3.27Å; L101-F122 HydrophobicContact CB-CE2 4.03Å; L101-F122 HydrophobicContact CB-CZ 4.41Å; L101-F122 HydrophobicContact CD2-CE1 4.5Å; L101-F122 HydrophobicContact CD2-CE2 4.08Å; L101-F122 HydrophobicContact CD2-CZ 3.96Å; L101-F122 HydrophobicContact CG-CE2 4.01Å; L101-F122 HydrophobicContact CG-CZ 3.89Å; L101-F122 WeakPolarHBondContact O-CE2 3.36Å; L101-I143 HydrophobicContact CD2-CD1 3.67Å; L101-L191 HydrophobicContact CD2-CD2 4.15Å; L101-L193 HydrophobicContact CD1-CD1 4.42Å; L101-L193 HydrophobicContact CD1-CD2 4.08Å; L101-F214 HydrophobicContact CB-CE1 4.43Å
102Q98.3Very high98Very high17 Ų1733.1 Ų33.18%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-134.9145.2-179.8-179177.5-95.500109.7Y100 Q104 I109 D110 S112 S117 N119 T120Y100-Q102 PolarHBondContact O-N 2.83Å; Q102-Q104 HydrophobicContact CG-CG 4.49Å; Q102-I109 WeakPolarHBondContact O-CA 3.17Å; Q102-D110 WeakPolarHBondContact CB-OD1 3.26Å; Q102-D110 PolarHBondContact N-O 3.37Å; Q102-D110 PolarHBondContact NE2-OD1 3.29Å; Q102-D110 PolarHBondContact O-N 3.19Å; Q102-D110 VanDerWaalsContact O-N 3.1Å; Q102-S112 VanDerWaalsContact OE1-CB 3.32Å; Q102-S117 PolarHBondContact OE1-OG 3.39Å; Q102-N119 WeakPolarHBondContact CA-O 3.42Å; Q102-N119 HydrophobicContact CG-CB 3.5Å; Q102-T120 HydrophobicContact CB-CG2 4.33Å
103M98.4Very high98Very high2 Ų238.7 Ų38.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-127.4115.8166.8-178.8178.9-77.600108.9T108 I109 N119 F122 S139 F141 I143M103-T108 WeakPolarHBondContact CA-O 3.33Å; M103-I109 HydrophobicContact CE-CD1 3.95Å; M103-I109 HydrophobicContact CE-CG1 3.88Å; M103-N119 PolarHBondContact N-O 3.29Å; M103-N119 WeakPolarHBondContact O-CB 3.32Å; M103-F122 HydrophobicContact CB-CE1 3.86Å; M103-F122 HydrophobicContact CB-CZ 3.96Å; M103-S139 PolarHBondContact SD-OG 3.12Å; M103-F141 HydrophobicContact CE-CB 4.45Å; M103-F141 HydrophobicContact SD-CB 3.81Å; M103-I143 HydrophobicContact CE-CB 4.47Å; M103-I143 HydrophobicContact CE-CD1 4.38Å; M103-I143 HydrophobicContact CE-CG1 3.42Å; M103-I143 VanDerWaalsContact CE-CG1 3.42Å
104Q97.6Very high97.9Very high63 Ų6342.4 Ų42.429%0.29423%0.23SC..  trans-77.8161.1178.3-66-170.560.600111.2Q102 D106 G107 T108 D110Q102-Q104 HydrophobicContact CG-CG 4.49Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.39Å; Q104-D106 PolarHBondContact O-N 2.77Å; Q104-G107 PolarHBondContact O-N 2.9Å; Q104-T108 PolarHBondContact N-O 2.76Å; Q104-D110 PolarHBondContact NE2-OD2 2.99Å; Q104-D110 VanDerWaalsContact NE2-OD2 3.13Å
105P96.5Very high97.6Very high79 Ų7943.5 Ų43.551%0.51324%0.236SC..THydrogen-bonded Turntrans-62.8-22.9-179.1-24.635.6000115G107P105-G107 PolarHBondContact O-N 2.92Å
106D95.6Very high97.3Very high108 Ų10849.9 Ų49.958%0.57827%0.269SS*.THydrogen-bonded Turntrans-76.8-5.4172.669.9-24.6000113.3Q104 T108Q104-D106 WeakPolarHBondContact CB-OD1 3.39Å; Q104-D106 PolarHBondContact O-N 2.77Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.17Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.77Å; D106-T108 WeakPolarHBondContact OD2-CB 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.18Å
107G95.4Very high97.2Very high6 Ų647 Ų476%0.06226%0.258CS..  trans87.71.6-174.700000115Q104 P105 I109 S153Q104-G107 PolarHBondContact O-N 2.9Å; P105-G107 PolarHBondContact O-N 2.92Å; G107-I109 PolarHBondContact O-N 3.15Å; G107-S153 WeakPolarHBondContact CA-OG 3.28Å; G107-S153 WeakPolarHBondContact O-CB 3.45Å; G107-S153 PolarHBondContact O-OG 2.85Å; G107-S153 VanDerWaalsContact O-OG 3.13Å
108T98Very high97.1Very high61 Ų6149.2 Ų49.237%0.37427%0.271SS..  trans-63.4128.7174.2-68.40000110.1M103 Q104 D106M103-T108 WeakPolarHBondContact CA-O 3.33Å; Q104-T108 PolarHBondContact N-O 2.76Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.17Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.77Å; D106-T108 WeakPolarHBondContact OD2-CB 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.18Å
109I98.5Very high97.1Very high14 Ų1448.7 Ų48.77%0.07226%0.26CS..EExtended strand (participates in β ladder)trans-109.5121.4179-53.1168.5000108.6L101 Q102 M103 G107 I143 V199L101-I109 HydrophobicContact CD1-CG2 4.04Å; Q102-I109 WeakPolarHBondContact O-CA 3.17Å; M103-I109 HydrophobicContact CE-CD1 3.95Å; M103-I109 HydrophobicContact CE-CG1 3.88Å; G107-I109 PolarHBondContact O-N 3.15Å; I109-I143 HydrophobicContact CD1-CB 4.48Å; I109-I143 HydrophobicContact CD1-CG1 4.05Å; I109-I143 HydrophobicContact CD1-CG2 4.22Å; I109-I143 HydrophobicContact CG2-CD1 4.48Å; I109-V199 HydrophobicContact CB-CG1 4.11Å; I109-V199 HydrophobicContact CG2-CG1 3.74Å; I109-V199 WeakPolarHBondContact O-CG1 3.31Å; I109-V199 WeakPolarHBondContact O-CG2 3.49Å
110D98.3Very high97.1Very high27 Ų2747.6 Ų47.614%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-150-165.9-17861.92.1000111.8Q102 Q104 G197Q102-D110 WeakPolarHBondContact CB-OD1 3.26Å; Q102-D110 PolarHBondContact N-O 3.37Å; Q102-D110 PolarHBondContact NE2-OD1 3.29Å; Q102-D110 PolarHBondContact O-N 3.19Å; Q102-D110 VanDerWaalsContact O-N 3.1Å; Q104-D110 PolarHBondContact NE2-OD2 2.99Å; Q104-D110 VanDerWaalsContact NE2-OD2 3.13Å; D110-G197 CarbonylContact C-O 3.44Å
111G98.3Very high97.1Very high12 Ų1248.5 Ų48.512%0.12426%0.26CS..EExtended strand (participates in β ladder)trans-123.3120.9179.500000110.3F99 Y100 G197F99-G111 VanDerWaalsContact CD1-O 3.32Å; F99-G111 WeakPolarHBondContact CD1-O 3.47Å; Y100-G111 CarbonylContact O-C 3.53Å; Y100-G111 VanDerWaalsContact O-CA 3.26Å; Y100-G111 WeakPolarHBondContact O-CA 3.47Å; G111-G197 WeakPolarHBondContact CA-O 3.41Å; G111-G197 PolarHBondContact N-O 3.16Å
112S97.8Very high97.1Very high23 Ų2348.5 Ų48.516%0.16126%0.26CS..EExtended strand (participates in β ladder)trans-107.3154.2178.4-174.70000111.9F99 Y100 Q102 D114F99-S112 CarbonylContact C-O 3.57Å; F99-S112 WeakPolarHBondContact CA-O 3.43Å; Y100-S112 PolarHBondContact N-O 3.21Å; Y100-S112 PolarHBondContact O-N 3.32Å; Q102-S112 VanDerWaalsContact OE1-CB 3.32Å; S112-D114 PolarHBondContact OG-N 2.8Å; S112-D114 VanDerWaalsContact OG-N 3.16Å
113K97.4Very high97.1Very high161 Ų16148.7 Ų48.770%0.726%0.262SS*.SBendtrans-95.2-11.1170.1-67.8-176.1178.1178.60112.9F99 E115F99-K113 HydrophobicContact CD1-CG 3.86Å; F99-K113 HydrophobicContact CE1-CD 4.36Å; F99-K113 HydrophobicContact CE1-CG 3.9Å; K113-E115 PolarHBondContact O-N 2.86Å
114D96.3Very high97.1Very high79 Ų7949.2 Ų49.242%0.42227%0.265SS..  trans-80107177.6-178.614.7000110.3S112 N116 S117S112-D114 PolarHBondContact OG-N 2.8Å; S112-D114 VanDerWaalsContact OG-N 3.16Å; D114-N116 VanDerWaalsContact C-N 3.25Å; D114-N116 PolarHBondContact O-N 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.44Å; D114-N116 PolarHBondContact OD1-N 3.02Å; D114-S117 WeakPolarHBondContact OD2-CB 3.31Å; D114-S117 PolarHBondContact OD2-N 2.82Å
115E92Very high97.1Very high78 Ų7846.4 Ų46.436%0.36425%0.252SS..SBendtrans-67.9-25.8174.6-172155.4179.800112.1R92 Y100 K113 R217R92-E115 PolarHBondContact NE-O 2.94Å; R92-E115 PolarHBondContact NH2-O 3.23Å; Y100-E115 HydrophobicContact CD2-CB 4.19Å; Y100-E115 HydrophobicContact CE1-CG 4.46Å; Y100-E115 HydrophobicContact CE2-CB 3.53Å; Y100-E115 HydrophobicContact CE2-CG 3.74Å; Y100-E115 PolarHBondContact OH-OE1 2.92Å; Y100-E115 PolarHBondContact OH-OE2 2.98Å; K113-E115 PolarHBondContact O-N 2.86Å; E115-R217 IonicContact OE1-CZ 3.11Å; E115-R217 IonicContact OE1-NH1 3.74Å; E115-R217 PolarHBondContact OE1-NH1 2.64Å; E115-R217 IonicContact OE2-NH1 3Å; E115-R217 PolarHBondContact OE2-NH1 3.26Å
116N93.7Very high97.2Very high133 Ų13344.8 Ų44.871%0.71124%0.241SC*.SBendtrans-86.2-13.4-174.4-61.6-37.6000113.1D114 D118D114-N116 VanDerWaalsContact C-N 3.25Å; D114-N116 PolarHBondContact O-N 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.44Å; D114-N116 PolarHBondContact OD1-N 3.02Å; N116-D118 PolarHBondContact O-N 2.9Å
117S95.9Very high97.3Very high18 Ų1840.3 Ų40.313%0.12622%0.218CC..  trans-61.6120.8177173.80000112Q102 D114 N119 T120Q102-S117 PolarHBondContact OE1-OG 3.39Å; D114-S117 WeakPolarHBondContact OD2-CB 3.31Å; D114-S117 PolarHBondContact OD2-N 2.82Å; S117-N119 PolarHBondContact O-N 2.91Å; S117-N119 VanDerWaalsContact O-N 3.1Å; S117-N119 WeakPolarHBondContact OG-CB 3.23Å; S117-N119 PolarHBondContact OG-N 3Å; S117-T120 WeakPolarHBondContact O-CB 3.3Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 PolarHBondContact O-OG1 2.82Å
118D97Very high97.3Very high86 Ų8641.8 Ų41.846%0.4623%0.233SC..G310 helixtrans-57-24.8173.6-48.3-49.3000112.7N116 T120 L121 K138N116-D118 PolarHBondContact O-N 2.9Å; D118-T120 PolarHBondContact O-N 3.07Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-L121 HydrophobicContact CB-CD1 4.27Å; D118-L121 VanDerWaalsContact O-CB 3.31Å; D118-L121 WeakPolarHBondContact O-CB 3.5Å; D118-L121 WeakPolarHBondContact O-CG 3.1Å; D118-L121 PolarHBondContact O-N 2.73Å; D118-L121 VanDerWaalsContact O-N 3.08Å; D118-K138 HydrophobicContact CB-CD 4.01Å; D118-K138 IonicContact OD2-NZ 3.02Å; D118-K138 PolarHBondContact OD2-NZ 3.41Å
119N97.9Very high97.3Very high24 Ų2446.7 Ų46.713%0.12826%0.256CS..G310 helixtrans-66-11.7179.3-551.7000111.6Q102 M103 S117 K138Q102-N119 WeakPolarHBondContact CA-O 3.42Å; Q102-N119 HydrophobicContact CG-CB 3.5Å; M103-N119 PolarHBondContact N-O 3.29Å; M103-N119 WeakPolarHBondContact O-CB 3.32Å; S117-N119 PolarHBondContact O-N 2.91Å; S117-N119 VanDerWaalsContact O-N 3.1Å; S117-N119 WeakPolarHBondContact OG-CB 3.23Å; S117-N119 PolarHBondContact OG-N 3Å; N119-K138 WeakPolarHBondContact OD1-CD 3.36Å; N119-K138 PolarHBondContact OD1-NZ 2.86Å; N119-K138 VanDerWaalsContact OD1-NZ 3.11Å
120T98.4Very high97.2Very high0 Ų053.3 Ų53.30%028%0.28CS..G310 helixtrans-90.2-4.1175.666.60000113.9R92 Y100 L101 Q102 S117 D118 F122R92-T120 PolarHBondContact NE-OG1 2.86Å; Y100-T120 HydrophobicContact CG-CG2 4.43Å; L101-T120 WeakPolarHBondContact O-CA 3.27Å; Q102-T120 HydrophobicContact CB-CG2 4.33Å; S117-T120 WeakPolarHBondContact O-CB 3.3Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 PolarHBondContact O-OG1 2.82Å; D118-T120 PolarHBondContact O-N 3.07Å; D118-T120 VanDerWaalsContact O-N 3.12Å; T120-F122 VanDerWaalsContact O-CD2 3.27Å; T120-F122 WeakPolarHBondContact O-CD2 3.38Å; T120-F122 WeakPolarHBondContact O-CE2 3.44Å
121L98.5Very high97.3Very high28 Ų2853 Ų5315%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-85.3126.4-178.7-59.2174.4000110.9R92 D118 V137 I219R92-L121 HydrophobicContact CG-CD2 4.12Å; D118-L121 HydrophobicContact CB-CD1 4.27Å; D118-L121 VanDerWaalsContact O-CB 3.31Å; D118-L121 WeakPolarHBondContact O-CB 3.5Å; D118-L121 WeakPolarHBondContact O-CG 3.1Å; D118-L121 PolarHBondContact O-N 2.73Å; D118-L121 VanDerWaalsContact O-N 3.08Å; L121-V137 HydrophobicContact CB-CB 3.9Å; L121-V137 HydrophobicContact CB-CG2 3.76Å; L121-V137 WeakPolarHBondContact O-CG2 3.43Å; L121-V137 PolarHBondContact O-N 2.7Å; L121-I219 HydrophobicContact CD2-CD1 3.29Å
122F98.8Very high97.3Very high0 Ų052.9 Ų52.90%028%0.276CS..EExtended strand (participates in β ladder)trans-126138.9177.3-65-86.8000112.7V90 T91 L101 M103 T120 I134 Q135 I143V90-F122 WeakPolarHBondContact CA-O 3.47Å; T91-F122 PolarHBondContact N-O 3.19Å; T91-F122 PolarHBondContact O-N 2.82Å; L101-F122 HydrophobicContact CB-CE2 4.03Å; L101-F122 HydrophobicContact CB-CZ 4.41Å; L101-F122 HydrophobicContact CD2-CE1 4.5Å; L101-F122 HydrophobicContact CD2-CE2 4.08Å; L101-F122 HydrophobicContact CD2-CZ 3.96Å; L101-F122 HydrophobicContact CG-CE2 4.01Å; L101-F122 HydrophobicContact CG-CZ 3.89Å; L101-F122 WeakPolarHBondContact O-CE2 3.36Å; M103-F122 HydrophobicContact CB-CE1 3.86Å; M103-F122 HydrophobicContact CB-CZ 3.96Å; T120-F122 VanDerWaalsContact O-CD2 3.27Å; T120-F122 WeakPolarHBondContact O-CD2 3.38Å; T120-F122 WeakPolarHBondContact O-CE2 3.44Å; F122-I134 HydrophobicContact CB-CG2 4.1Å; F122-I134 HydrophobicContact CD1-CG2 3.68Å; F122-I134 HydrophobicContact CE1-CG2 4.4Å; F122-I134 HydrophobicContact CG-CG2 4.01Å; F122-Q135 CarbonylContact C-O 3.53Å; F122-Q135 VanDerWaalsContact CA-O 3.23Å; F122-Q135 WeakPolarHBondContact CA-O 3.46Å; F122-I143 HydrophobicContact CE1-CD1 3.93Å; F122-I143 HydrophobicContact CE1-CG1 4.43Å; F122-I143 HydrophobicContact CZ-CD1 4.47Å
123N98.6Very high97.3Very high21 Ų2151.8 Ų51.811%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-76.6117.6161.3-57.4-32.6000108.1I125 Q135 V137 Y224N123-I125 HydrophobicContact CB-CD1 4.09Å; N123-I125 HydrophobicContact CB-CG1 3.91Å; N123-Q135 HydrophobicContact CB-CB 4.23Å; N123-Q135 PolarHBondContact N-O 3.42Å; N123-Q135 PolarHBondContact ND2-OE1 3Å; N123-Q135 PolarHBondContact O-N 3.4Å; N123-Q135 VanDerWaalsContact O-N 3.08Å; N123-V137 WeakPolarHBondContact OD1-CG2 3.15Å; N123-Y224 HydrophobicContact CB-CE1 3.67Å; N123-Y224 WeakPolarHBondContact CB-OH 3.37Å; N123-Y224 VanDerWaalsContact CG-CE1 3.47Å; N123-Y224 PolarHBondContact OD1-OH 3.34Å
124L98.5Very high97.4Very high12 Ų1244.1 Ų44.16%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-98.397.7170.6-135.175.5000108.2G88 I89 T91 L93 V132 I134G88-L124 VanDerWaalsContact CA-O 3.32Å; G88-L124 WeakPolarHBondContact CA-O 3.31Å; I89-L124 HydrophobicContact CD1-CB 4.39Å; I89-L124 HydrophobicContact CD1-CD2 4.39Å; I89-L124 HydrophobicContact CG1-CB 3.72Å; I89-L124 PolarHBondContact N-O 3.04Å; I89-L124 PolarHBondContact O-N 3.19Å; T91-L124 HydrophobicContact CG2-CB 4Å; T91-L124 HydrophobicContact CG2-CD1 4.13Å; T91-L124 HydrophobicContact CG2-CD2 4.35Å; T91-L124 HydrophobicContact CG2-CG 4.39Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD2-CD1 4.45Å; L124-V132 HydrophobicContact CG-CB 4.36Å; L124-V132 HydrophobicContact CG-CG1 4.37Å; L124-V132 HydrophobicContact CG-CG2 4.45Å; L124-I134 HydrophobicContact CD1-CB 4.44Å; L124-I134 HydrophobicContact CD1-CD1 4.43Å; L124-I134 HydrophobicContact CD1-CG1 3.9Å; L124-I134 HydrophobicContact CD1-CG2 4.16Å
125I98.3Very high97.5Very high4 Ų441.9 Ų41.92%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-102.8118.2-170-51.8177000109.1L86 N123 V127 V132 A133 Y224 P227L86-I125 HydrophobicContact CB-CG2 4.29Å; L86-I125 HydrophobicContact CD1-CG2 3.76Å; N123-I125 HydrophobicContact CB-CD1 4.09Å; N123-I125 HydrophobicContact CB-CG1 3.91Å; I125-V127 HydrophobicContact CG2-CG1 4.23Å; I125-V127 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact O-N 3.15Å; I125-V132 CarbonylContact O-C 3.47Å; I125-V132 VanDerWaalsContact O-CA 3.25Å; I125-V132 WeakPolarHBondContact O-CA 3.42Å; I125-A133 HydrophobicContact CB-CB 4.37Å; I125-A133 PolarHBondContact N-O 2.91Å; I125-A133 PolarHBondContact O-N 2.84Å; I125-Y224 HydrophobicContact CD1-CD1 3.8Å; I125-Y224 HydrophobicContact CD1-CE1 4.26Å; I125-Y224 HydrophobicContact CD1-CG 4.01Å; I125-Y224 HydrophobicContact CG1-CD1 3.97Å; I125-Y224 HydrophobicContact CG1-CD2 4.01Å; I125-Y224 HydrophobicContact CG1-CE1 4.22Å; I125-Y224 HydrophobicContact CG1-CE2 4.24Å; I125-Y224 HydrophobicContact CG1-CG 3.86Å; I125-Y224 HydrophobicContact CG2-CD2 4.42Å; I125-Y224 HydrophobicContact CG2-CG 4.27Å; I125-P227 HydrophobicContact CG2-CG 4.48Å
126P98.1Very high97.8Very high46 Ų4638.2 Ų38.230%0.29921%0.206SC..EExtended strand (participates in β ladder)trans-76.8103.3-178.530-33.8000111.2L86 K87L86-P126 HydrophobicContact CB-CG 4.39Å; L86-P126 WeakPolarHBondContact CD1-O 3.34Å; K87-P126 WeakPolarHBondContact O-CG 3.33Å
127V97.2Very high98Very high13 Ų1334.9 Ų34.98%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-101.120.8-178.8-60.70000112.7L86 I125 V131 A133 F157 R162 P227L86-V127 HydrophobicContact CD1-CG1 4.43Å; I125-V127 HydrophobicContact CG2-CG1 4.23Å; I125-V127 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact O-N 3.15Å; V127-V131 HydrophobicContact CG2-CB 4.46Å; V127-V131 HydrophobicContact CG2-CG1 3.86Å; V127-V131 PolarHBondContact N-O 2.89Å; V127-A133 HydrophobicContact CG1-CB 3.98Å; V127-A133 HydrophobicContact CG2-CB 4.44Å; V127-F157 HydrophobicContact CB-CZ 4.12Å; V127-F157 HydrophobicContact CG1-CE2 4.42Å; V127-F157 HydrophobicContact CG1-CZ 3.92Å; V127-F157 HydrophobicContact CG2-CZ 4.05Å; V127-R162 HydrophobicContact CG2-CG 4.26Å; V127-R162 PolarHBondContact O-NH2 3.03Å; V127-P227 HydrophobicContact CG1-CG 4.38Å
128G96.5Very high98Very high38 Ų3839.2 Ų39.239%0.39221%0.207SC..EExtended strand (participates in β ladder)trans159.7174.1178.100000112.9R130 V131G128-R130 PolarHBondContact O-N 3.22Å; G128-V131 PolarHBondContact N-O 3.19Å; G128-V131 PolarHBondContact O-N 2.92Å
129L96.9Very high98Very high164 Ų16436.3 Ų36.386%0.85919%0.193SC*.THydrogen-bonded Turntrans-61.9108.8177.6177.563.1000110.7V131L129-V131 PolarHBondContact O-N 2.85Å
130R97.6Very high98Very high152 Ų15236.6 Ų36.657%0.57420%0.201SC*.THydrogen-bonded Turntrans57.230.8-174.1-57.6-62.2-171172.70.6113G128 K164 E165G128-R130 PolarHBondContact O-N 3.22Å; R130-K164 CarbonylContact O-C 3.6Å; R130-K164 VanDerWaalsContact O-CA 3.3Å; R130-K164 WeakPolarHBondContact O-CA 3.23Å; R130-E165 HydrophobicContact CB-CG 4.08Å; R130-E165 WeakPolarHBondContact CD-OE1 3.34Å; R130-E165 IonicContact CZ-OE1 3.7Å; R130-E165 IonicContact NE-OE1 3.95Å; R130-E165 IonicContact NH1-OE1 2.81Å; R130-E165 PolarHBondContact NH1-OE1 3.13Å; R130-E165 WeakPolarHBondContact O-CG 3.28Å; R130-E165 PolarHBondContact O-N 3.45Å
131V98.6Very high98Very high22 Ų2238.4 Ų38.413%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-125.5125.4174.1-1740000109V127 G128 L129 R162 F163 T178V127-V131 HydrophobicContact CG2-CB 4.46Å; V127-V131 HydrophobicContact CG2-CG1 3.86Å; V127-V131 PolarHBondContact N-O 2.89Å; G128-V131 PolarHBondContact N-O 3.19Å; G128-V131 PolarHBondContact O-N 2.92Å; L129-V131 PolarHBondContact O-N 2.85Å; V131-R162 HydrophobicContact CG1-CB 3.87Å; V131-F163 CarbonylContact C-O 3.57Å; V131-F163 WeakPolarHBondContact CA-O 3.41Å; V131-T178 HydrophobicContact CG1-CG2 3.92Å; V131-T178 HydrophobicContact CG2-CG2 4.16Å
132V98.8Very high98Very high8 Ų838.3 Ų38.35%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-118.5149.1179.3-63.60000110.9L124 I125 I134 F163 E165 Y175L124-V132 HydrophobicContact CG-CB 4.36Å; L124-V132 HydrophobicContact CG-CG1 4.37Å; L124-V132 HydrophobicContact CG-CG2 4.45Å; I125-V132 CarbonylContact O-C 3.47Å; I125-V132 VanDerWaalsContact O-CA 3.25Å; I125-V132 WeakPolarHBondContact O-CA 3.42Å; V132-I134 HydrophobicContact CG2-CG1 4.13Å; V132-F163 HydrophobicContact CG2-CB 4.37Å; V132-F163 PolarHBondContact N-O 3.02Å; V132-F163 PolarHBondContact O-N 2.86Å; V132-E165 HydrophobicContact CG1-CG 4.42Å; V132-Y175 HydrophobicContact CG2-CD1 3.91Å; V132-Y175 HydrophobicContact CG2-CE1 3.85Å
133A98.6Very high98Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-92.3144.3154.500000108.1I125 V127 Y142 F157I125-A133 HydrophobicContact CB-CB 4.37Å; I125-A133 PolarHBondContact N-O 2.91Å; I125-A133 PolarHBondContact O-N 2.84Å; V127-A133 HydrophobicContact CG1-CB 3.98Å; V127-A133 HydrophobicContact CG2-CB 4.44Å; A133-Y142 HydrophobicContact CB-CD1 4.04Å; A133-Y142 HydrophobicContact CB-CE1 4.1Å; A133-F157 HydrophobicContact CB-CD2 4.23Å; A133-F157 HydrophobicContact CB-CE2 3.65Å; A133-F157 HydrophobicContact CB-CZ 4.47Å
134I98.8Very high98Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-119.3111.6178.2-49.6179.7000106.5L93 F122 L124 V132 Y142 I143 F163 Y175 L191L93-I134 HydrophobicContact CD1-CD1 4.33Å; L93-I134 HydrophobicContact CD1-CG2 4.12Å; F122-I134 HydrophobicContact CB-CG2 4.1Å; F122-I134 HydrophobicContact CD1-CG2 3.68Å; F122-I134 HydrophobicContact CE1-CG2 4.4Å; F122-I134 HydrophobicContact CG-CG2 4.01Å; L124-I134 HydrophobicContact CD1-CB 4.44Å; L124-I134 HydrophobicContact CD1-CD1 4.43Å; L124-I134 HydrophobicContact CD1-CG1 3.9Å; L124-I134 HydrophobicContact CD1-CG2 4.16Å; V132-I134 HydrophobicContact CG2-CG1 4.13Å; I134-Y142 CarbonylContact O-C 3.57Å; I134-Y142 WeakPolarHBondContact O-CA 3.43Å; I134-I143 HydrophobicContact CB-CB 4.43Å; I134-I143 HydrophobicContact CB-CD1 4.4Å; I134-I143 HydrophobicContact CG2-CD1 3.9Å; I134-I143 HydrophobicContact CG2-CG1 4.39Å; I134-I143 PolarHBondContact O-N 3.1Å; I134-F163 HydrophobicContact CD1-CD2 4.25Å; I134-F163 HydrophobicContact CD1-CG 4.46Å; I134-F163 HydrophobicContact CG1-CD2 4.38Å; I134-Y175 HydrophobicContact CD1-CD1 4.06Å; I134-Y175 HydrophobicContact CD1-CD2 4.34Å; I134-Y175 HydrophobicContact CD1-CE1 4.38Å; I134-Y175 HydrophobicContact CD1-CG 4.04Å; I134-L191 HydrophobicContact CD1-CD2 4.08Å
135Q98.7Very high98Very high32 Ų3236.7 Ų36.715%0.1520%0.199CC..EExtended strand (participates in β ladder)trans-121.4131.6-175.6-172.6-165.22900109.9F122 N123 V137 G140 F141 Y142F122-Q135 CarbonylContact C-O 3.53Å; F122-Q135 VanDerWaalsContact CA-O 3.23Å; F122-Q135 WeakPolarHBondContact CA-O 3.46Å; N123-Q135 HydrophobicContact CB-CB 4.23Å; N123-Q135 PolarHBondContact N-O 3.42Å; N123-Q135 PolarHBondContact ND2-OE1 3Å; N123-Q135 PolarHBondContact O-N 3.4Å; N123-Q135 VanDerWaalsContact O-N 3.08Å; Q135-V137 PolarHBondContact O-N 3.45Å; Q135-G140 VanDerWaalsContact CG-O 3.32Å; Q135-G140 WeakPolarHBondContact CG-O 3.43Å; Q135-G140 PolarHBondContact NE2-O 3.49Å; Q135-F141 CarbonylContact C-O 3.5Å; Q135-F141 VanDerWaalsContact CA-O 3.3Å; Q135-F141 WeakPolarHBondContact CA-O 3.26Å; Q135-F141 WeakPolarHBondContact CG-O 3.48Å; Q135-Y142 HydrophobicContact CB-CD1 3.76Å; Q135-Y142 HydrophobicContact CB-CE1 3.85Å; Q135-Y142 HydrophobicContact CB-CG 4.49Å; Q135-Y142 HydrophobicContact CG-CD1 4.07Å; Q135-Y142 HydrophobicContact CG-CE1 4.01Å; Q135-Y142 HydrophobicContact CG-CG 4.43Å
136G98.5Very high98Very high2 Ų238.7 Ų38.72%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-67.5127.3174.200000110.4K138 G140 F141G136-K138 VanDerWaalsContact C-N 3.31Å; G136-K138 PolarHBondContact O-N 3.38Å; G136-G140 WeakPolarHBondContact O-CA 3.31Å; G136-G140 PolarHBondContact O-N 3.49Å; G136-F141 PolarHBondContact N-O 3.11Å
137V97.8Very high98Very high63 Ų6338.4 Ų38.438%0.38222%0.215SC..THydrogen-bonded Turntrans-61.3-42.1-177.4172.60000111.3V90 L121 N123 Q135V90-V137 HydrophobicContact CG1-CG2 4.23Å; L121-V137 HydrophobicContact CB-CB 3.9Å; L121-V137 HydrophobicContact CB-CG2 3.76Å; L121-V137 WeakPolarHBondContact O-CG2 3.43Å; L121-V137 PolarHBondContact O-N 2.7Å; N123-V137 WeakPolarHBondContact OD1-CG2 3.15Å; Q135-V137 PolarHBondContact O-N 3.45Å
138K96.6Very high98Very high109 Ų10943.6 Ų43.647%0.47424%0.239SC..THydrogen-bonded Turntrans-81.5-36.8-172.8-163.4-176.9-164.11530114.1D118 N119 G136D118-K138 HydrophobicContact CB-CD 4.01Å; D118-K138 IonicContact OD2-NZ 3.02Å; D118-K138 PolarHBondContact OD2-NZ 3.41Å; N119-K138 WeakPolarHBondContact OD1-CD 3.36Å; N119-K138 PolarHBondContact OD1-NZ 2.86Å; N119-K138 VanDerWaalsContact OD1-NZ 3.11Å; G136-K138 VanDerWaalsContact C-N 3.31Å; G136-K138 PolarHBondContact O-N 3.38Å
139S97Very high98Very high24 Ų2441.8 Ų41.817%0.16822%0.22CC..THydrogen-bonded Turntrans-88.8-25.7-179.956.50000113M103 F141M103-S139 PolarHBondContact SD-OG 3.12Å; S139-F141 PolarHBondContact O-N 3Å; S139-F141 PolarHBondContact OG-N 2.82Å
140G97.4Very high98.1Very high30 Ų3037.9 Ų37.931%0.30920%0.198SC..  trans74.1-4.4-171.700000114.6Q135 G136Q135-G140 VanDerWaalsContact CG-O 3.32Å; Q135-G140 WeakPolarHBondContact CG-O 3.43Å; Q135-G140 PolarHBondContact NE2-O 3.49Å; G136-G140 WeakPolarHBondContact O-CA 3.31Å; G136-G140 PolarHBondContact O-N 3.49Å
141F98.6Very high98.1Very high39 Ų3931.6 Ų31.617%0.17118%0.176CC..PPolyproline II helixtrans-79.9144-179.5-53.4-32.4000112.3M103 Q135 G136 S139 E155M103-F141 HydrophobicContact CE-CB 4.45Å; M103-F141 HydrophobicContact SD-CB 3.81Å; Q135-F141 CarbonylContact C-O 3.5Å; Q135-F141 VanDerWaalsContact CA-O 3.3Å; Q135-F141 WeakPolarHBondContact CA-O 3.26Å; Q135-F141 WeakPolarHBondContact CG-O 3.48Å; G136-F141 PolarHBondContact N-O 3.11Å; S139-F141 PolarHBondContact O-N 3Å; S139-F141 PolarHBondContact OG-N 2.82Å; F141-E155 HydrophobicContact CD1-CB 4.29Å; F141-E155 HydrophobicContact CD1-CG 3.84Å; F141-E155 HydrophobicContact CE1-CB 4.44Å; F141-E155 HydrophobicContact CE1-CG 3.63Å
142Y98.8Very high98.1Very high25 Ų2534 Ų3410%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-79.8141.9167.9-61.4-82.3000110.5A133 I134 Q135 S153 S154 F157 C161A133-Y142 HydrophobicContact CB-CD1 4.04Å; A133-Y142 HydrophobicContact CB-CE1 4.1Å; I134-Y142 CarbonylContact O-C 3.57Å; I134-Y142 WeakPolarHBondContact O-CA 3.43Å; Q135-Y142 HydrophobicContact CB-CD1 3.76Å; Q135-Y142 HydrophobicContact CB-CE1 3.85Å; Q135-Y142 HydrophobicContact CB-CG 4.49Å; Q135-Y142 HydrophobicContact CG-CD1 4.07Å; Q135-Y142 HydrophobicContact CG-CE1 4.01Å; Q135-Y142 HydrophobicContact CG-CG 4.43Å; Y142-S153 CarbonylContact O-C 3.52Å; Y142-S153 WeakPolarHBondContact O-CA 2.89Å; Y142-S154 PolarHBondContact N-O 3.3Å; Y142-S154 PolarHBondContact O-N 2.89Å; Y142-F157 HydrophobicContact CD1-CD2 4.14Å; Y142-F157 HydrophobicContact CD2-CB 4.32Å; Y142-F157 HydrophobicContact CE1-CD2 4.11Å; Y142-F157 HydrophobicContact CE2-CB 3.94Å; Y142-F157 HydrophobicContact CG-CD2 4.43Å; Y142-C161 HydrophobicContact CG-CB 4.48Å
143I98.8Very high98.1Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-69.7135.3158.7-59.7-177.1000107.4L101 M103 I109 F122 I134 L151 C161 F163L101-I143 HydrophobicContact CD2-CD1 3.67Å; M103-I143 HydrophobicContact CE-CB 4.47Å; M103-I143 HydrophobicContact CE-CD1 4.38Å; M103-I143 HydrophobicContact CE-CG1 3.42Å; M103-I143 VanDerWaalsContact CE-CG1 3.42Å; I109-I143 HydrophobicContact CD1-CB 4.48Å; I109-I143 HydrophobicContact CD1-CG1 4.05Å; I109-I143 HydrophobicContact CD1-CG2 4.22Å; I109-I143 HydrophobicContact CG2-CD1 4.48Å; F122-I143 HydrophobicContact CE1-CD1 3.93Å; F122-I143 HydrophobicContact CE1-CG1 4.43Å; F122-I143 HydrophobicContact CZ-CD1 4.47Å; I134-I143 HydrophobicContact CB-CB 4.43Å; I134-I143 HydrophobicContact CB-CD1 4.4Å; I134-I143 HydrophobicContact CG2-CD1 3.9Å; I134-I143 HydrophobicContact CG2-CG1 4.39Å; I134-I143 PolarHBondContact O-N 3.1Å; I143-L151 HydrophobicContact CG2-CD2 4.03Å; I143-C161 WeakPolarHBondContact O-CA 3.42Å; I143-F163 HydrophobicContact CB-CE2 4.34Å; I143-F163 HydrophobicContact CG2-CE2 3.98Å; I143-F163 HydrophobicContact CG2-CZ 3.93Å; I143-F163 WeakPolarHBondContact O-CE2 3.21Å
144A98.7Very high98.1Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-134.5159.5174.700000110.9L151 Y152 E160A144-L151 WeakPolarHBondContact O-CA 3.38Å; A144-Y152 HydrophobicContact CB-CD1 3.91Å; A144-Y152 HydrophobicContact CB-CD2 4.38Å; A144-Y152 HydrophobicContact CB-CE1 3.36Å; A144-Y152 HydrophobicContact CB-CE2 3.9Å; A144-Y152 HydrophobicContact CB-CG 4.37Å; A144-Y152 PolarHBondContact N-O 3.06Å; A144-Y152 PolarHBondContact O-N 2.55Å; A144-E160 WeakPolarHBondContact CA-O 3.23Å; A144-E160 HydrophobicContact CB-CB 4.13Å
145M98.8Very high98Very high0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-129.5119.3175.1-176.5-178.5-68.600111.3M150 L151 E160 F163 Y180 W189M145-M150 WeakPolarHBondContact CA-O 3.34Å; M145-L151 HydrophobicContact CB-CD2 4.12Å; M145-L151 HydrophobicContact CE-CD2 3.67Å; M145-L151 HydrophobicContact CE-CG 4.25Å; M145-L151 HydrophobicContact CG-CD2 4.5Å; M145-E160 PolarHBondContact N-O 2.99Å; M145-E160 WeakPolarHBondContact O-CB 3.44Å; M145-F163 HydrophobicContact CB-CE1 4.28Å; M145-F163 HydrophobicContact CB-CZ 4.15Å; M145-F163 HydrophobicContact CE-CE1 4.31Å; M145-Y180 VanDerWaalsContact O-CD2 3.28Å; M145-Y180 WeakPolarHBondContact O-CD2 3.4Å; M145-Y180 VanDerWaalsContact O-CE2 3.23Å; M145-Y180 WeakPolarHBondContact O-CE2 3.49Å; M145-W189 HydrophobicContact SD-CB 3.79Å; M145-W189 HydrophobicContact SD-CE3 4.26Å
146N98Very high97.9Very high45 Ų4544.9 Ų44.924%0.24124%0.243CC..  trans-82.4174.5-17780.65.2000114E148 G149 M150 Y152 E160 Y180N146-E148 PolarHBondContact O-N 2.76Å; N146-E148 VanDerWaalsContact O-N 3.11Å; N146-E148 WeakPolarHBondContact OD1-CA 3.48Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 2.85Å; N146-G149 WeakPolarHBondContact O-CA 3.47Å; N146-G149 PolarHBondContact O-N 2.92Å; N146-G149 PolarHBondContact OD1-N 3.11Å; N146-M150 PolarHBondContact N-O 3.01Å; N146-M150 PolarHBondContact OD1-N 3.05Å; N146-Y152 HydrophobicContact CB-CD1 4.2Å; N146-Y152 HydrophobicContact CB-CE1 3.92Å; N146-E160 VanDerWaalsContact CA-OE2 3.23Å; N146-E160 WeakPolarHBondContact CA-OE2 3.3Å; N146-Y180 WeakPolarHBondContact O-CD2 3.43Å
147G97.5Very high97.9Very high41 Ų4145.3 Ų45.342%0.42325%0.245SC..THydrogen-bonded Turntrans-62.7-12179.800000116.3W189G147-W189 WeakPolarHBondContact O-CH2 3.46Å; G147-W189 WeakPolarHBondContact O-CZ3 3.47Å
148E97.3Very high97.9Very high122 Ų12242.9 Ų42.957%0.5723%0.23SC*.THydrogen-bonded Turntrans-92.7-5.5170.5-57-171.5-176.300113.1N146 M150 K201N146-E148 PolarHBondContact O-N 2.76Å; N146-E148 VanDerWaalsContact O-N 3.11Å; N146-E148 WeakPolarHBondContact OD1-CA 3.48Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 2.85Å; E148-M150 VanDerWaalsContact C-N 3.33Å; E148-K201 IonicContact OE2-NZ 3.77Å
149G97.3Very high98Very high0 Ų039.4 Ų39.40%022%0.219CC..  trans79.912.6-173.700000113.3N146 K201 G202N146-G149 WeakPolarHBondContact O-CA 3.47Å; N146-G149 PolarHBondContact O-N 2.92Å; N146-G149 PolarHBondContact OD1-N 3.11Å; G149-K201 CarbonylContact O-C 3.57Å; G149-K201 VanDerWaalsContact O-CA 3.26Å; G149-K201 WeakPolarHBondContact O-CA 3.32Å; G149-G202 PolarHBondContact O-N 2.92Å
150M98.2Very high98.1Very high82 Ų8238.9 Ų38.940%0.40421%0.214SC..  trans-72.2136170.3-71.8-66.9-72.100109.6M145 N146 E148 K201M145-M150 WeakPolarHBondContact CA-O 3.34Å; N146-M150 PolarHBondContact N-O 3.01Å; N146-M150 PolarHBondContact OD1-N 3.05Å; E148-M150 VanDerWaalsContact C-N 3.33Å; M150-K201 HydrophobicContact CG-CG 4.4Å; M150-K201 HydrophobicContact SD-CD 4.01Å; M150-K201 WeakPolarHBondContact SD-CE 3.5Å; M150-K201 HydrophobicContact SD-CG 3.54Å; M150-K201 VanDerWaalsContact SD-CG 3.54Å
151L98.4Very high98.1Very high19 Ų1937.4 Ų37.410%0.09920%0.199CC..EExtended strand (participates in β ladder)trans-82.6140.4166.6-68.2164.4000108.8I143 A144 M145 F163 L191 V199I143-L151 HydrophobicContact CG2-CD2 4.03Å; A144-L151 WeakPolarHBondContact O-CA 3.38Å; M145-L151 HydrophobicContact CB-CD2 4.12Å; M145-L151 HydrophobicContact CE-CD2 3.67Å; M145-L151 HydrophobicContact CE-CG 4.25Å; M145-L151 HydrophobicContact CG-CD2 4.5Å; L151-F163 HydrophobicContact CD2-CE1 4.47Å; L151-F163 HydrophobicContact CD2-CZ 4.21Å; L151-L191 HydrophobicContact CD1-CD1 3.47Å; L151-L191 VanDerWaalsContact CD1-CD1 3.47Å; L151-L191 HydrophobicContact CD2-CD1 4.05Å; L151-L191 HydrophobicContact CG-CD1 4.42Å; L151-V199 HydrophobicContact CD1-CB 4.23Å; L151-V199 HydrophobicContact CD1-CG1 4.19Å
152Y98.4Very high98.1Very high74 Ų7439.4 Ų39.429%0.2921%0.205SC..EExtended strand (participates in β ladder)trans-150.3163.7177.973-78.6000110.5A144 N146 E160A144-Y152 HydrophobicContact CB-CD1 3.91Å; A144-Y152 HydrophobicContact CB-CD2 4.38Å; A144-Y152 HydrophobicContact CB-CE1 3.36Å; A144-Y152 HydrophobicContact CB-CE2 3.9Å; A144-Y152 HydrophobicContact CB-CG 4.37Å; A144-Y152 PolarHBondContact N-O 3.06Å; A144-Y152 PolarHBondContact O-N 2.55Å; N146-Y152 HydrophobicContact CB-CD1 4.2Å; N146-Y152 HydrophobicContact CB-CE1 3.92Å; Y152-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E160 PolarHBondContact OH-OE2 3.14Å
153S98.3Very high98.1Very high37 Ų3738.2 Ų38.226%0.25920%0.2SC..EExtended strand (participates in β ladder)trans-91.1137.5173.2500000111G107 Y142G107-S153 WeakPolarHBondContact CA-OG 3.28Å; G107-S153 WeakPolarHBondContact O-CB 3.45Å; G107-S153 PolarHBondContact O-OG 2.85Å; G107-S153 VanDerWaalsContact O-OG 3.13Å; Y142-S153 CarbonylContact O-C 3.52Å; Y142-S153 WeakPolarHBondContact O-CA 2.89Å
154S98.2Very high98.1Very high19 Ų1942.7 Ų42.713%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-132.4130.9177.8-158.40000111.4Y142 V156Y142-S154 PolarHBondContact N-O 3.3Å; Y142-S154 PolarHBondContact O-N 2.89Å; S154-V156 VanDerWaalsContact C-N 3.28Å; S154-V156 PolarHBondContact OG-O 3.06Å
155E96.9Very high98.1Very high149 Ų14944.5 Ų44.570%0.69623%0.229SC*.SBendtrans-70.6-30.3174.4-39.9-166.1151.100111.7F141F141-E155 HydrophobicContact CD1-CB 4.29Å; F141-E155 HydrophobicContact CD1-CG 3.84Å; F141-E155 HydrophobicContact CE1-CB 4.44Å; F141-E155 HydrophobicContact CE1-CG 3.63Å
156V97Very high98.1Very high62 Ų6246.2 Ų46.238%0.37624%0.241SC..SBendtrans-103.1132.9-172.3-177.60000109.7S154 T158 H230S154-V156 VanDerWaalsContact C-N 3.28Å; S154-V156 PolarHBondContact OG-O 3.06Å; V156-T158 HydrophobicContact CG1-CG2 4.43Å; V156-T158 PolarHBondContact O-N 3.14Å; V156-H230 HydrophobicContact CG1-CB 3.55Å; V156-H230 VanDerWaalsContact CG1-ND1 3.34Å; V156-H230 WeakPolarHBondContact CG1-ND1 3.05Å
157F97.9Very high98.1Very high11 Ų1147.8 Ų47.85%0.04825%0.251CS..  trans-75.3111.6177.3-178.4-111.2000111.5V127 A133 Y142 C161 R162 P227 L229 H230V127-F157 HydrophobicContact CB-CZ 4.12Å; V127-F157 HydrophobicContact CG1-CE2 4.42Å; V127-F157 HydrophobicContact CG1-CZ 3.92Å; V127-F157 HydrophobicContact CG2-CZ 4.05Å; A133-F157 HydrophobicContact CB-CD2 4.23Å; A133-F157 HydrophobicContact CB-CE2 3.65Å; A133-F157 HydrophobicContact CB-CZ 4.47Å; Y142-F157 HydrophobicContact CD1-CD2 4.14Å; Y142-F157 HydrophobicContact CD2-CB 4.32Å; Y142-F157 HydrophobicContact CE1-CD2 4.11Å; Y142-F157 HydrophobicContact CE2-CB 3.94Å; Y142-F157 HydrophobicContact CG-CD2 4.43Å; F157-C161 HydrophobicContact CD2-CB 3.59Å; F157-C161 HydrophobicContact CE2-CB 3.71Å; F157-R162 HydrophobicContact CE2-CG 4.09Å; F157-R162 HydrophobicContact CZ-CG 3.69Å; F157-P227 HydrophobicContact CB-CB 3.81Å; F157-P227 HydrophobicContact CD1-CB 3.57Å; F157-P227 HydrophobicContact CD2-CB 4.23Å; F157-P227 HydrophobicContact CE1-CB 4.15Å; F157-P227 HydrophobicContact CG-CB 3.6Å; F157-L229 HydrophobicContact CD1-CB 4.32Å; F157-L229 HydrophobicContact CD1-CD1 3.93Å; F157-L229 HydrophobicContact CE1-CB 4.41Å; F157-L229 HydrophobicContact CE1-CD1 3.73Å; F157-H230 PolarHBondContact O-N 3.13Å
158T98.1Very high98.1Very high13 Ų1347.1 Ų47.18%0.0824%0.237CC..  trans-118.4169.2-179.565.20000111.5V156 E160 C161V156-T158 HydrophobicContact CG1-CG2 4.43Å; V156-T158 PolarHBondContact O-N 3.14Å; T158-E160 PolarHBondContact O-N 3.09Å; T158-E160 VanDerWaalsContact O-N 3.11Å; T158-E160 PolarHBondContact OG1-N 3.19Å; T158-C161 PolarHBondContact N-SG 3.47Å; T158-C161 VanDerWaalsContact N-SG 3.45Å; T158-C161 VanDerWaalsContact O-CB 3.3Å; T158-C161 WeakPolarHBondContact O-CB 3.44Å; T158-C161 PolarHBondContact O-N 3Å; T158-C161 PolarHBondContact OG1-SG 2.94Å; T158-C161 VanDerWaalsContact OG1-SG 3.39Å
159P98.1Very high98Very high36 Ų3648.1 Ų48.123%0.23424%0.242CC..G310 helixtrans-54.2-25169.8-28.235000114.8C161 R162 V179 L229 H230 I232P159-C161 VanDerWaalsContact C-N 3.28Å; P159-C161 PolarHBondContact O-N 3.31Å; P159-R162 PolarHBondContact O-N 2.8Å; P159-V179 HydrophobicContact CB-CG2 4.07Å; P159-L229 HydrophobicContact CG-CD1 4.1Å; P159-H230 VanDerWaalsContact CD-O 3.23Å; P159-H230 WeakPolarHBondContact CD-O 3.39Å; P159-I232 HydrophobicContact CB-CD1 4.41Å
160E98.4Very high97.9Very high12 Ų1255.8 Ų55.86%0.05628%0.283CS..G310 helixtrans-74-19.3177.3-54.5-156151.700113.1A144 M145 N146 Y152 T158 R162 Y180 I232A144-E160 WeakPolarHBondContact CA-O 3.23Å; A144-E160 HydrophobicContact CB-CB 4.13Å; M145-E160 PolarHBondContact N-O 2.99Å; M145-E160 WeakPolarHBondContact O-CB 3.44Å; N146-E160 VanDerWaalsContact CA-OE2 3.23Å; N146-E160 WeakPolarHBondContact CA-OE2 3.3Å; Y152-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E160 PolarHBondContact OH-OE2 3.14Å; T158-E160 PolarHBondContact O-N 3.09Å; T158-E160 VanDerWaalsContact O-N 3.11Å; T158-E160 PolarHBondContact OG1-N 3.19Å; E160-R162 PolarHBondContact O-N 3.26Å; E160-Y180 HydrophobicContact CG-CE2 4.07Å; E160-Y180 WeakPolarHBondContact OE1-CE2 3.25Å; E160-Y180 VanDerWaalsContact OE1-CZ 3.24Å; E160-Y180 PolarHBondContact OE1-OH 3.47Å; E160-I232 HydrophobicContact CG-CD1 3.51Å; E160-I232 HydrophobicContact CG-CG1 4.25Å
161C98.6Very high97.8Very high0 Ų059 Ų590%029%0.291CS..G310 helixtrans-79.5-4.1175.6-55.60000113.1Y142 I143 F157 T158 P159Y142-C161 HydrophobicContact CG-CB 4.48Å; I143-C161 WeakPolarHBondContact O-CA 3.42Å; F157-C161 HydrophobicContact CD2-CB 3.59Å; F157-C161 HydrophobicContact CE2-CB 3.71Å; T158-C161 PolarHBondContact N-SG 3.47Å; T158-C161 VanDerWaalsContact N-SG 3.45Å; T158-C161 VanDerWaalsContact O-CB 3.3Å; T158-C161 WeakPolarHBondContact O-CB 3.44Å; T158-C161 PolarHBondContact O-N 3Å; T158-C161 PolarHBondContact OG1-SG 2.94Å; T158-C161 VanDerWaalsContact OG1-SG 3.39Å; P159-C161 VanDerWaalsContact C-N 3.28Å; P159-C161 PolarHBondContact O-N 3.31Å
162R98.6Very high97.8Very high80 Ų8060 Ų6030%0.30229%0.294SS..  trans-94114.2-174.6-61.8-178.291.71748.7110.7V127 V131 F157 P159 E160 T178V127-R162 HydrophobicContact CG2-CG 4.26Å; V127-R162 PolarHBondContact O-NH2 3.03Å; V131-R162 HydrophobicContact CG1-CB 3.87Å; F157-R162 HydrophobicContact CE2-CG 4.09Å; F157-R162 HydrophobicContact CZ-CG 3.69Å; P159-R162 PolarHBondContact O-N 2.8Å; E160-R162 PolarHBondContact O-N 3.26Å; R162-T178 HydrophobicContact CB-CG2 4.19Å; R162-T178 WeakPolarHBondContact CB-OG1 3.47Å; R162-T178 PolarHBondContact O-N 3.01Å; R162-T178 PolarHBondContact O-OG1 2.98Å
163F98.9Very high97.8Very high0 Ų057.6 Ų57.60%029%0.287CS..EExtended strand (participates in β ladder)trans-108.6123.8176-68.7-86.8000111V131 V132 I134 I143 M145 L151 E165 Y175 S176 L191V131-F163 CarbonylContact C-O 3.57Å; V131-F163 WeakPolarHBondContact CA-O 3.41Å; V132-F163 HydrophobicContact CG2-CB 4.37Å; V132-F163 PolarHBondContact N-O 3.02Å; V132-F163 PolarHBondContact O-N 2.86Å; I134-F163 HydrophobicContact CD1-CD2 4.25Å; I134-F163 HydrophobicContact CD1-CG 4.46Å; I134-F163 HydrophobicContact CG1-CD2 4.38Å; I143-F163 HydrophobicContact CB-CE2 4.34Å; I143-F163 HydrophobicContact CG2-CE2 3.98Å; I143-F163 HydrophobicContact CG2-CZ 3.93Å; I143-F163 WeakPolarHBondContact O-CE2 3.21Å; M145-F163 HydrophobicContact CB-CE1 4.28Å; M145-F163 HydrophobicContact CB-CZ 4.15Å; M145-F163 HydrophobicContact CE-CE1 4.31Å; L151-F163 HydrophobicContact CD2-CE1 4.47Å; L151-F163 HydrophobicContact CD2-CZ 4.21Å; F163-E165 PolarHBondContact O-N 2.86Å; F163-Y175 HydrophobicContact CB-CD1 4.44Å; F163-S176 CarbonylContact C-O 3.59Å; F163-S176 WeakPolarHBondContact CA-O 3.27Å; F163-L191 HydrophobicContact CE1-CB 4.49Å
164K98.8Very high97.9Very high94 Ų9456 Ų5641%0.40928%0.275SS..EExtended strand (participates in β ladder)trans-71.9112.6164.9174.9169.1-177.9168.20108.8R130 S176 T178R130-K164 CarbonylContact O-C 3.6Å; R130-K164 VanDerWaalsContact O-CA 3.3Å; R130-K164 WeakPolarHBondContact O-CA 3.23Å; K164-S176 PolarHBondContact N-O 3.48Å; K164-S176 PolarHBondContact O-N 3.11Å; K164-S176 PolarHBondContact O-OG 3.01Å; K164-T178 HydrophobicContact CB-CG2 4.13Å
165E98.1Very high97.9Very high39 Ų3955.1 Ų55.118%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-72.8146.916755.1157.4-136.500110.2R130 V132 F163 V173 I174 Y175R130-E165 HydrophobicContact CB-CG 4.08Å; R130-E165 WeakPolarHBondContact CD-OE1 3.34Å; R130-E165 IonicContact CZ-OE1 3.7Å; R130-E165 IonicContact NE-OE1 3.95Å; R130-E165 IonicContact NH1-OE1 2.81Å; R130-E165 PolarHBondContact NH1-OE1 3.13Å; R130-E165 WeakPolarHBondContact O-CG 3.28Å; R130-E165 PolarHBondContact O-N 3.45Å; V132-E165 HydrophobicContact CG1-CG 4.42Å; F163-E165 PolarHBondContact O-N 2.86Å; E165-V173 HydrophobicContact CB-CG1 4.23Å; E165-I174 CarbonylContact C-O 3.46Å; E165-I174 WeakPolarHBondContact CA-O 3.38Å; E165-Y175 HydrophobicContact CB-CD1 4.06Å; E165-Y175 HydrophobicContact CB-CE1 3.96Å
166S98.4Very high98Very high36 Ų3648.3 Ų48.325%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-155.4150.1173.1-71.50000109.6V173 I174S166-V173 WeakPolarHBondContact O-CA 3.23Å; S166-I174 PolarHBondContact N-O 2.82Å; S166-I174 PolarHBondContact O-N 2.81Å
167V98.3Very high98.1Very high77 Ų7745.3 Ų45.347%0.46722%0.22SC..EExtended strand (participates in β ladder)trans-87.6143.6175.4-174.50000110Y172V167-Y172 CarbonylContact C-O 3.5Å; V167-Y172 WeakPolarHBondContact CA-O 3.29Å
168F98.1Very high98.1Very high27 Ų2747.3 Ų47.312%0.11823%0.233CC..EExtended strand (participates in β ladder)trans-123132.4171.3-175.7-105.7000109.7N170 Y171 Y172 I174 K207 T208 H213F168-N170 PolarHBondContact O-N 3.45Å; F168-Y171 PolarHBondContact O-N 3.08Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; F168-Y172 HydrophobicContact CD1-CD2 4.42Å; F168-Y172 PolarHBondContact N-O 2.91Å; F168-Y172 PolarHBondContact O-N 2.91Å; F168-I174 HydrophobicContact CB-CG2 4.02Å; F168-K207 HydrophobicContact CD2-CD 4.45Å; F168-K207 HydrophobicContact CD2-CG 3.94Å; F168-K207 HydrophobicContact CE2-CG 4.26Å; F168-T208 HydrophobicContact CE2-CG2 3.99Å; F168-T208 HydrophobicContact CZ-CG2 4.04Å; F168-H213 AromaticContact CD1-CD2 3.98Å; F168-H213 AromaticContact CD1-CE1 3.44Å; F168-H213 VanDerWaalsContact CD1-CE1 3.44Å; F168-H213 WeakPolarHBondContact CD1-CE1 3.2Å; F168-H213 AromaticContact CD1-NE2 3.26Å; F168-H213 VanDerWaalsContact CD1-NE2 3.26Å; F168-H213 WeakPolarHBondContact CD1-NE2 3.36Å; F168-H213 AromaticContact CE1-CE1 3.43Å; F168-H213 VanDerWaalsContact CE1-CE1 3.43Å; F168-H213 WeakPolarHBondContact CE1-CE1 3.44Å; F168-H213 AromaticContact CE1-NE2 3.49Å; F168-H213 WeakPolarHBondContact CE1-NE2 3.32Å
169E95.9Very high98.1Very high144 Ų14449.8 Ų49.867%0.67325%0.248SC*.THydrogen-bonded Turntrans48.731.9-178.2-69.5173.3177.300114.3Y171E169-Y171 PolarHBondContact O-N 2.83Å; E169-Y171 VanDerWaalsContact O-N 3.1Å
170N94.5Very high98.1Very high160 Ų16049.6 Ų49.686%0.85624%0.243SC*.THydrogen-bonded Turntrans56.118-177.6-63.8-16.1000115.8F168F168-N170 PolarHBondContact O-N 3.45Å
171Y96.3Very high98Very high150 Ų15053.4 Ų53.459%0.58826%0.257SS*.THydrogen-bonded Turntrans-134.9-50.2-176.7-179.7-108.6000113.2F168 E169 V215F168-Y171 PolarHBondContact O-N 3.08Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; E169-Y171 PolarHBondContact O-N 2.83Å; E169-Y171 VanDerWaalsContact O-N 3.1Å; Y171-V215 HydrophobicContact CE1-CG2 3.98Å
172Y98.6Very high98Very high39 Ų3956.5 Ų56.515%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-86.3144.3-178.3-61.6-69.9000111.9Q96 V167 F168 H213 V215Q96-Y172 HydrophobicContact CB-CE1 3.93Å; Q96-Y172 VanDerWaalsContact CD-CZ 3.45Å; Q96-Y172 HydrophobicContact CG-CE1 3.92Å; Q96-Y172 PolarHBondContact NE2-OH 3.39Å; V167-Y172 CarbonylContact C-O 3.5Å; V167-Y172 WeakPolarHBondContact CA-O 3.29Å; F168-Y172 HydrophobicContact CD1-CD2 4.42Å; F168-Y172 PolarHBondContact N-O 2.91Å; F168-Y172 PolarHBondContact O-N 2.91Å; Y172-H213 HydrophobicContact CD1-CB 3.65Å; Y172-H213 HydrophobicContact CD2-CB 4.17Å; Y172-H213 AromaticContact CD2-CG 3.94Å; Y172-H213 AromaticContact CD2-ND1 3.6Å; Y172-H213 HydrophobicContact CE1-CB 4.19Å; Y172-H213 AromaticContact CE2-ND1 3.85Å; Y172-H213 HydrophobicContact CG-CB 3.63Å; Y172-H213 AromaticContact CG-CG 3.84Å; Y172-H213 AromaticContact CG-ND1 3.99Å; Y172-V215 HydrophobicContact CD1-CG2 3.87Å; Y172-V215 HydrophobicContact CE1-CG2 4.05Å
173V98.8Very high97.7Very high25 Ų2561.3 Ų61.315%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-96.3134.8164.9-174.80000108.8E165 S166 Y175 F214 P216E165-V173 HydrophobicContact CB-CG1 4.23Å; S166-V173 WeakPolarHBondContact O-CA 3.23Å; V173-Y175 HydrophobicContact CG1-CD1 4.42Å; V173-Y175 HydrophobicContact CG1-CE1 3.78Å; V173-Y175 HydrophobicContact CG1-CE2 4.03Å; V173-F214 PolarHBondContact N-O 2.96Å; V173-F214 PolarHBondContact O-N 2.97Å; V173-P216 HydrophobicContact CB-CG 4.25Å; V173-P216 HydrophobicContact CG2-CG 3.85Å
174I98.8Very high97.5Very high2 Ų270.2 Ų70.21%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-119.9137.9174.272.9-173.8000108.9E165 S166 F168 F190 K207 S212E165-I174 CarbonylContact C-O 3.46Å; E165-I174 WeakPolarHBondContact CA-O 3.38Å; S166-I174 PolarHBondContact N-O 2.82Å; S166-I174 PolarHBondContact O-N 2.81Å; F168-I174 HydrophobicContact CB-CG2 4.02Å; I174-F190 HydrophobicContact CB-CD1 4.25Å; I174-F190 HydrophobicContact CB-CE1 4.42Å; I174-F190 HydrophobicContact CD1-CD1 4.21Å; I174-F190 HydrophobicContact CD1-CE1 3.55Å; I174-F190 HydrophobicContact CD1-CZ 4.31Å; I174-F190 HydrophobicContact CG1-CD1 4.21Å; I174-F190 HydrophobicContact CG1-CE1 3.92Å; I174-K207 HydrophobicContact CD1-CB 4.16Å; I174-K207 HydrophobicContact CD1-CD 3.65Å; I174-K207 HydrophobicContact CD1-CG 3.54Å; I174-S212 WeakPolarHBondContact CG2-O 3.26Å
175Y98.9Very high97.4Very high1 Ų169.8 Ų69.80%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-111123.2-179.4-59-76.6000109.4L93 V132 I134 F163 E165 V173 F190 L191 F214L93-Y175 HydrophobicContact CD1-CE2 4.1Å; L93-Y175 HydrophobicContact CD2-CE2 4.09Å; L93-Y175 WeakPolarHBondContact CD2-OH 3.31Å; V132-Y175 HydrophobicContact CG2-CD1 3.91Å; V132-Y175 HydrophobicContact CG2-CE1 3.85Å; I134-Y175 HydrophobicContact CD1-CD1 4.06Å; I134-Y175 HydrophobicContact CD1-CD2 4.34Å; I134-Y175 HydrophobicContact CD1-CE1 4.38Å; I134-Y175 HydrophobicContact CD1-CG 4.04Å; F163-Y175 HydrophobicContact CB-CD1 4.44Å; E165-Y175 HydrophobicContact CB-CD1 4.06Å; E165-Y175 HydrophobicContact CB-CE1 3.96Å; V173-Y175 HydrophobicContact CG1-CD1 4.42Å; V173-Y175 HydrophobicContact CG1-CE1 3.78Å; V173-Y175 HydrophobicContact CG1-CE2 4.03Å; Y175-F190 CarbonylContact O-C 3.57Å; Y175-F190 VanDerWaalsContact O-CA 3.26Å; Y175-F190 WeakPolarHBondContact O-CA 3.43Å; Y175-L191 HydrophobicContact CD2-CD2 4.05Å; Y175-L191 HydrophobicContact CG-CD2 4.46Å; Y175-L191 PolarHBondContact O-N 3.3Å; Y175-F214 HydrophobicContact CD2-CD2 4.2Å; Y175-F214 HydrophobicContact CE2-CB 4.2Å; Y175-F214 HydrophobicContact CE2-CD2 4.49Å; Y175-F214 HydrophobicContact CE2-CG 4.46Å
176S98.8Very high97.3Very high6 Ų670.2 Ų70.24%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-122.9144.9-177.462.10000112.5F163 K164 T178 W189F163-S176 CarbonylContact C-O 3.59Å; F163-S176 WeakPolarHBondContact CA-O 3.27Å; K164-S176 PolarHBondContact N-O 3.48Å; K164-S176 PolarHBondContact O-N 3.11Å; K164-S176 PolarHBondContact O-OG 3.01Å; S176-T178 PolarHBondContact O-N 2.86Å; S176-W189 CarbonylContact C-O 3.58Å; S176-W189 WeakPolarHBondContact CA-O 3.48Å; S176-W189 WeakPolarHBondContact CB-O 3.39Å
177S98.6Very high97.3Very high0 Ų072.1 Ų72.10%036%0.364CS..EExtended strand (participates in β ladder)trans-58.7133.8175.1-178.70000110.3V179 Y180 R181 W189S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-Y180 PolarHBondContact OG-N 3.39Å; S177-R181 PolarHBondContact O-NH2 2.85Å; S177-W189 PolarHBondContact N-O 3Å
178T98.3Very high97.3Very high52 Ų5269 Ų6932%0.31935%0.347SS..EExtended strand (participates in β ladder)trans-71.9-29.7170.352.10000111.7V131 R162 K164 S176V131-T178 HydrophobicContact CG1-CG2 3.92Å; V131-T178 HydrophobicContact CG2-CG2 4.16Å; R162-T178 HydrophobicContact CB-CG2 4.19Å; R162-T178 WeakPolarHBondContact CB-OG1 3.47Å; R162-T178 PolarHBondContact O-N 3.01Å; R162-T178 PolarHBondContact O-OG1 2.98Å; K164-T178 HydrophobicContact CB-CG2 4.13Å; S176-T178 PolarHBondContact O-N 2.86Å
179V97.3Very high97.3Very high66 Ų6668.9 Ų68.940%0.435%0.345SS..EExtended strand (participates in β ladder)trans-91.8-46.3-173.8-171.30000112.1P159 S177P159-V179 HydrophobicContact CB-CG2 4.07Å; S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å
180Y98.2Very high97.4Very high31 Ų3162.6 Ų62.612%0.12232%0.316CS..EExtended strand (participates in β ladder)trans-106.2131.5-166-58.2-59.8000114.7M145 N146 E160 S177 W189M145-Y180 VanDerWaalsContact O-CD2 3.28Å; M145-Y180 WeakPolarHBondContact O-CD2 3.4Å; M145-Y180 VanDerWaalsContact O-CE2 3.23Å; M145-Y180 WeakPolarHBondContact O-CE2 3.49Å; N146-Y180 WeakPolarHBondContact O-CD2 3.43Å; E160-Y180 HydrophobicContact CG-CE2 4.07Å; E160-Y180 WeakPolarHBondContact OE1-CE2 3.25Å; E160-Y180 VanDerWaalsContact OE1-CZ 3.24Å; E160-Y180 PolarHBondContact OE1-OH 3.47Å; S177-Y180 PolarHBondContact OG-N 3.39Å; Y180-W189 HydrophobicContact CG-CE3 4.45Å; Y180-W189 HydrophobicContact CG-CZ3 4.3Å
181R97.9Very high97.6Very high93 Ų9355 Ų5535%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-149.4160.3-175.6-53.9-172.9174.2-99-30.5109.6S177 Q183S177-R181 PolarHBondContact O-NH2 2.85Å; R181-Q183 PolarHBondContact O-N 2.91Å
182Q97.3Very high97.7Very high64 Ų6447.9 Ų47.930%0.29925%0.247SC..  trans-64.7120.8170.1-166.673.941.700109.5E184 G186 R187Q182-E184 PolarHBondContact O-N 3.43Å; Q182-G186 VanDerWaalsContact O-CA 3.31Å; Q182-G186 WeakPolarHBondContact O-CA 3.35Å; Q182-G186 PolarHBondContact O-N 2.89Å; Q182-R187 HydrophobicContact CB-CB 4.05Å; Q182-R187 PolarHBondContact N-O 3.24Å
183Q93.3Very high97.8Very high181 Ų18146 Ų4685%0.84624%0.24SC*.THydrogen-bonded Turntrans-57.7-51.7-174.2-65.3-65.5-12.800112.9R181R181-Q183 PolarHBondContact O-N 2.91Å
184E94.1Very high97.7Very high187 Ų18746.3 Ų46.387%0.87424%0.242SC*.THydrogen-bonded Turntrans-71.2-41.2-176.1-62.4165.1176.100113.5Q182Q182-E184 PolarHBondContact O-N 3.43Å
185S96.3Very high97.7Very high86 Ų8654.1 Ų54.160%0.60128%0.276SS*.THydrogen-bonded Turntrans-97-11.4-170.2164.30000113.7R187S185-R187 PolarHBondContact O-N 2.77Å
186G96.6Very high97.7Very high47 Ų4760.1 Ų60.149%0.48530%0.304SS..  trans64.90.1-169.800000115Q182 A188Q182-G186 VanDerWaalsContact O-CA 3.31Å; Q182-G186 WeakPolarHBondContact O-CA 3.35Å; Q182-G186 PolarHBondContact O-N 2.89Å; G186-A188 PolarHBondContact O-N 2.98Å
187R97.6Very high97.6Very high76 Ų7659.8 Ų59.829%0.28730%0.302SS..PPolyproline II helixtrans-61.6121.4-176.4-179.7179.764.588.7-1.6110.6Q182 S185 N203 V205Q182-R187 HydrophobicContact CB-CB 4.05Å; Q182-R187 PolarHBondContact N-O 3.24Å; S185-R187 PolarHBondContact O-N 2.77Å; R187-N203 VanDerWaalsContact CZ-O 3.3Å; R187-N203 PolarHBondContact NH1-O 2.97Å; R187-N203 PolarHBondContact NH2-O 2.96Å; R187-V205 PolarHBondContact NH1-O 2.79Å
188A98.3Very high97.6Very high12 Ų1264.9 Ų64.910%0.09933%0.325CS..EExtended strand (participates in β ladder)trans-62.4154.217800000112.7G186 F190G186-A188 PolarHBondContact O-N 2.98Å; A188-F190 HydrophobicContact CB-CE1 4.4Å; A188-F190 HydrophobicContact CB-CE2 3.85Å; A188-F190 HydrophobicContact CB-CZ 3.72Å; A188-F190 WeakPolarHBondContact O-CD2 2.99Å; A188-F190 WeakPolarHBondContact O-CE2 3.37Å
189W98.7Very high97.6Very high25 Ų2564.9 Ų64.910%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-99.6143169.4-63.7-1000109.6M145 G147 S176 S177 Y180 G202 N203M145-W189 HydrophobicContact SD-CB 3.79Å; M145-W189 HydrophobicContact SD-CE3 4.26Å; G147-W189 WeakPolarHBondContact O-CH2 3.46Å; G147-W189 WeakPolarHBondContact O-CZ3 3.47Å; S176-W189 CarbonylContact C-O 3.58Å; S176-W189 WeakPolarHBondContact CA-O 3.48Å; S176-W189 WeakPolarHBondContact CB-O 3.39Å; S177-W189 PolarHBondContact N-O 3Å; Y180-W189 HydrophobicContact CG-CE3 4.45Å; Y180-W189 HydrophobicContact CG-CZ3 4.3Å; W189-G202 VanDerWaalsContact CA-O 3.28Å; W189-G202 WeakPolarHBondContact CA-O 3.49Å; W189-G202 WeakPolarHBondContact CB-O 3.35Å; W189-N203 HydrophobicContact CD2-CB 3.84Å; W189-N203 VanDerWaalsContact CE2-CB 3.47Å; W189-N203 HydrophobicContact CG-CB 4.09Å; W189-N203 HydrophobicContact CZ2-CB 3.87Å
190F98.9Very high97.7Very high12 Ų1263.4 Ų63.45%0.05331%0.314CS..EExtended strand (participates in β ladder)trans-127.6145.6-167.8-62.6-90.2000112.4I174 Y175 A188 G202 V205 K207I174-F190 HydrophobicContact CB-CD1 4.25Å; I174-F190 HydrophobicContact CB-CE1 4.42Å; I174-F190 HydrophobicContact CD1-CD1 4.21Å; I174-F190 HydrophobicContact CD1-CE1 3.55Å; I174-F190 HydrophobicContact CD1-CZ 4.31Å; I174-F190 HydrophobicContact CG1-CD1 4.21Å; I174-F190 HydrophobicContact CG1-CE1 3.92Å; Y175-F190 CarbonylContact O-C 3.57Å; Y175-F190 VanDerWaalsContact O-CA 3.26Å; Y175-F190 WeakPolarHBondContact O-CA 3.43Å; A188-F190 HydrophobicContact CB-CE1 4.4Å; A188-F190 HydrophobicContact CB-CE2 3.85Å; A188-F190 HydrophobicContact CB-CZ 3.72Å; A188-F190 WeakPolarHBondContact O-CD2 2.99Å; A188-F190 WeakPolarHBondContact O-CE2 3.37Å; F190-G202 PolarHBondContact N-O 3.1Å; F190-G202 VanDerWaalsContact N-O 3.14Å; F190-G202 WeakPolarHBondContact O-CA 3.45Å; F190-V205 HydrophobicContact CB-CB 3.99Å; F190-V205 HydrophobicContact CB-CG1 3.6Å; F190-K207 HydrophobicContact CE1-CB 4.26Å; F190-K207 HydrophobicContact CE2-CB 3.97Å; F190-K207 HydrophobicContact CZ-CB 3.66Å
191L98.8Very high97.7Very high0 Ų065.5 Ų65.50%032%0.324CS..  trans-58.2139.6159.9173.259.2000108.7L101 I134 L151 F163 Y175 F214L101-L191 HydrophobicContact CD2-CD2 4.15Å; I134-L191 HydrophobicContact CD1-CD2 4.08Å; L151-L191 HydrophobicContact CD1-CD1 3.47Å; L151-L191 VanDerWaalsContact CD1-CD1 3.47Å; L151-L191 HydrophobicContact CD2-CD1 4.05Å; L151-L191 HydrophobicContact CG-CD1 4.42Å; F163-L191 HydrophobicContact CE1-CB 4.49Å; Y175-L191 HydrophobicContact CD2-CD2 4.05Å; Y175-L191 HydrophobicContact CG-CD2 4.46Å; Y175-L191 PolarHBondContact O-N 3.3Å; L191-F214 HydrophobicContact CD2-CE2 4.36Å; L191-F214 HydrophobicContact CD2-CZ 4.37Å; L191-F214 HydrophobicContact CG-CE2 3.96Å; L191-F214 HydrophobicContact CG-CZ 3.96Å
192G98.6Very high97.7Very high0 Ų061 Ų610%031%0.307CS..  trans-176.6159.1176.200000115.4M200 S211G192-M200 PolarHBondContact O-N 2.97Å; G192-S211 CarbonylContact C-O 3.5Å; G192-S211 WeakPolarHBondContact CA-O 3.26Å
193L98.8Very high97.7Very high0 Ų060.4 Ų60.40%031%0.306CS..BIsolated β-bridgetrans-116.1153.2-178.8-59-178.7000111.7F99 L101 Q198 V199 S211 F214F99-L193 HydrophobicContact CB-CD1 4.27Å; L101-L193 HydrophobicContact CD1-CD1 4.42Å; L101-L193 HydrophobicContact CD1-CD2 4.08Å; L193-Q198 CarbonylContact C-O 3.49Å; L193-Q198 VanDerWaalsContact CA-O 3.25Å; L193-Q198 WeakPolarHBondContact CA-O 3.24Å; L193-V199 HydrophobicContact CD2-CG1 3.82Å; L193-S211 PolarHBondContact N-O 2.86Å; L193-S211 WeakPolarHBondContact O-CA 3.41Å; L193-S211 WeakPolarHBondContact O-CB 3.4Å; L193-F214 HydrophobicContact CG-CZ 4.43Å
194T98.6Very high98Very high32 Ų3260.2 Ų60.220%0.19630%0.298CS..  trans-76.4-174.5170.973.60000111.4Q97 E196 Q198 M200Q97-T194 WeakPolarHBondContact CB-O 3.38Å; Q97-T194 WeakPolarHBondContact CG-O 3.33Å; Q97-T194 PolarHBondContact NE2-O 2.7Å; T194-E196 WeakPolarHBondContact CB-OE2 3.42Å; T194-E196 PolarHBondContact O-N 3.24Å; T194-E196 PolarHBondContact OG1-N 3.38Å; T194-E196 PolarHBondContact OG1-OE2 2.85Å; T194-Q198 HydrophobicContact CG2-CB 4.24Å; T194-Q198 PolarHBondContact N-O 2.93Å; T194-Q198 PolarHBondContact OG1-N 3.21Å; T194-M200 HydrophobicContact CG2-CG 3.48Å; T194-M200 VanDerWaalsContact CG2-CG 3.48Å; T194-M200 HydrophobicContact CG2-SD 4.04Å
195K98.1Very high98.2Very high166 Ų16651.3 Ų51.372%0.72226%0.256SS*.THydrogen-bonded Turntrans-75.9-12.7174.8-69.7-179.1175.3-173.80112.3Q97 F99Q97-K195 VanDerWaalsContact NE2-CA 3.28Å; Q97-K195 VanDerWaalsContact NE2-N 3.17Å; F99-K195 WeakPolarHBondContact CE2-O 3.44Å
196E98.2Very high98.3Very high126 Ų12652.4 Ų52.459%0.58925%0.25SC*.THydrogen-bonded Turntrans-1029.8-177.7-51.270.9-151.900111.4T194 Q198T194-E196 WeakPolarHBondContact CB-OE2 3.42Å; T194-E196 PolarHBondContact O-N 3.24Å; T194-E196 PolarHBondContact OG1-N 3.38Å; T194-E196 PolarHBondContact OG1-OE2 2.85Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 2.87Å
197G97.9Very high98.4Very high0 Ų054.7 Ų54.70%025%0.246CC..SBendtrans78.22.6-179.300000115.1D110 G111D110-G197 CarbonylContact C-O 3.44Å; G111-G197 WeakPolarHBondContact CA-O 3.41Å; G111-G197 PolarHBondContact N-O 3.16Å
198Q98.5Very high98.4Very high106 Ų10655.4 Ų55.450%0.49526%0.26SS..  trans-82.9146.1-175.2-62.7-60.2-47.400112.4L193 T194 E196L193-Q198 CarbonylContact C-O 3.49Å; L193-Q198 VanDerWaalsContact CA-O 3.25Å; L193-Q198 WeakPolarHBondContact CA-O 3.24Å; T194-Q198 HydrophobicContact CG2-CB 4.24Å; T194-Q198 PolarHBondContact N-O 2.93Å; T194-Q198 PolarHBondContact OG1-N 3.21Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 2.87Å
199V98.3Very high98.4Very high53 Ų5360.3 Ų60.332%0.32128%0.278SS..BIsolated β-bridgetrans-65.8141.6176.6-76.80000112.7I109 L151 L193I109-V199 HydrophobicContact CB-CG1 4.11Å; I109-V199 HydrophobicContact CG2-CG1 3.74Å; I109-V199 WeakPolarHBondContact O-CG1 3.31Å; I109-V199 WeakPolarHBondContact O-CG2 3.49Å; L151-V199 HydrophobicContact CD1-CB 4.23Å; L151-V199 HydrophobicContact CD1-CG1 4.19Å; L193-V199 HydrophobicContact CD2-CG1 3.82Å
200M98.4Very high98.4Very high34 Ų3461.3 Ų61.317%0.16729%0.288CS..  trans-107.2143.3179.3-65.6-170.673.900112.3G192 T194 G202 R204 V205G192-M200 PolarHBondContact O-N 2.97Å; T194-M200 HydrophobicContact CG2-CG 3.48Å; T194-M200 VanDerWaalsContact CG2-CG 3.48Å; T194-M200 HydrophobicContact CG2-SD 4.04Å; M200-G202 PolarHBondContact O-N 3.43Å; M200-R204 HydrophobicContact CE-CB 4.22Å; M200-V205 HydrophobicContact CB-CG2 3.44Å; M200-V205 VanDerWaalsContact CB-CG2 3.44Å; M200-V205 HydrophobicContact CG-CG2 4.34Å; M200-V205 HydrophobicContact SD-CG2 4.18Å
201K98.4Very high98.4Very high75 Ų7561.5 Ų61.533%0.32629%0.291SS..  trans-55.2125.8164.4-76.6-165.6171.2-162.70109.8E148 G149 M150 N203 R204 V205E148-K201 IonicContact OE2-NZ 3.77Å; G149-K201 CarbonylContact O-C 3.57Å; G149-K201 VanDerWaalsContact O-CA 3.26Å; G149-K201 WeakPolarHBondContact O-CA 3.32Å; M150-K201 HydrophobicContact CG-CG 4.4Å; M150-K201 HydrophobicContact SD-CD 4.01Å; M150-K201 WeakPolarHBondContact SD-CE 3.5Å; M150-K201 HydrophobicContact SD-CG 3.54Å; M150-K201 VanDerWaalsContact SD-CG 3.54Å; K201-N203 WeakPolarHBondContact CB-OD1 3.46Å; K201-N203 PolarHBondContact O-N 2.89Å; K201-N203 VanDerWaalsContact O-N 3.09Å; K201-R204 HydrophobicContact CB-CG 4.28Å; K201-R204 WeakPolarHBondContact O-CA 3.39Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 PolarHBondContact O-N 2.65Å; K201-V205 PolarHBondContact O-N 2.94Å
202G98.4Very high98.4Very high0 Ų061.5 Ų61.50%029%0.291CS..THydrogen-bonded Turntrans-62.2-23.3-171.300000114.8G149 W189 F190 M200 R204 V205G149-G202 PolarHBondContact O-N 2.92Å; W189-G202 VanDerWaalsContact CA-O 3.28Å; W189-G202 WeakPolarHBondContact CA-O 3.49Å; W189-G202 WeakPolarHBondContact CB-O 3.35Å; F190-G202 PolarHBondContact N-O 3.1Å; F190-G202 VanDerWaalsContact N-O 3.14Å; F190-G202 WeakPolarHBondContact O-CA 3.45Å; M200-G202 PolarHBondContact O-N 3.43Å; G202-R204 VanDerWaalsContact C-N 3.33Å; G202-V205 PolarHBondContact O-N 3.4Å
203N98Very high98.4Very high51 Ų5161.8 Ų61.827%0.27329%0.293SS..THydrogen-bonded Turntrans-70.5-25172.270.2-15000113.4R187 W189 K201R187-N203 VanDerWaalsContact CZ-O 3.3Å; R187-N203 PolarHBondContact NH1-O 2.97Å; R187-N203 PolarHBondContact NH2-O 2.96Å; W189-N203 HydrophobicContact CD2-CB 3.84Å; W189-N203 VanDerWaalsContact CE2-CB 3.47Å; W189-N203 HydrophobicContact CG-CB 4.09Å; W189-N203 HydrophobicContact CZ2-CB 3.87Å; K201-N203 WeakPolarHBondContact CB-OD1 3.46Å; K201-N203 PolarHBondContact O-N 2.89Å; K201-N203 VanDerWaalsContact O-N 3.09Å
204R98.3Very high98.4Very high177 Ų17761.8 Ų61.867%0.66829%0.293SS*.THydrogen-bonded Turntrans-83.3-27.6175.2-61.1174.572-177.81.6112.1M200 K201 G202M200-R204 HydrophobicContact CE-CB 4.22Å; K201-R204 HydrophobicContact CB-CG 4.28Å; K201-R204 WeakPolarHBondContact O-CA 3.39Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 PolarHBondContact O-N 2.65Å; G202-R204 VanDerWaalsContact C-N 3.33Å
205V98.7Very high98.4Very high0 Ų061.8 Ų61.80%029%0.293CS..  trans-70.7141176-1720000110R187 F190 M200 K201 G202 S212R187-V205 PolarHBondContact NH1-O 2.79Å; F190-V205 HydrophobicContact CB-CB 3.99Å; F190-V205 HydrophobicContact CB-CG1 3.6Å; M200-V205 HydrophobicContact CB-CG2 3.44Å; M200-V205 VanDerWaalsContact CB-CG2 3.44Å; M200-V205 HydrophobicContact CG-CG2 4.34Å; M200-V205 HydrophobicContact SD-CG2 4.18Å; K201-V205 PolarHBondContact O-N 2.94Å; G202-V205 PolarHBondContact O-N 3.4Å; V205-S212 VanDerWaalsContact CG1-CB 3.45Å
206K98.3Very high98.4Very high108 Ų10855.6 Ų55.647%0.4727%0.269SS..  trans-130.5134.4-176.1-67.8-179.8-179.7-1780110.1T208 K209 S212K206-T208 PolarHBondContact O-N 2.8Å; K206-K209 HydrophobicContact CB-CB 4.27Å; K206-K209 HydrophobicContact CB-CG 3.91Å; K206-K209 HydrophobicContact CD-CG 4.47Å; K206-K209 PolarHBondContact O-N 2.83Å; K206-S212 PolarHBondContact O-OG 3.02Å
207K98.2Very high98.4Very high95 Ų9554.3 Ų54.341%0.41326%0.259SS..THydrogen-bonded Turntrans-46.4-32.1177.9171.5162.5-176.7175.90115.5F168 I174 F190 H213F168-K207 HydrophobicContact CD2-CD 4.45Å; F168-K207 HydrophobicContact CD2-CG 3.94Å; F168-K207 HydrophobicContact CE2-CG 4.26Å; I174-K207 HydrophobicContact CD1-CB 4.16Å; I174-K207 HydrophobicContact CD1-CD 3.65Å; I174-K207 HydrophobicContact CD1-CG 3.54Å; F190-K207 HydrophobicContact CE1-CB 4.26Å; F190-K207 HydrophobicContact CE2-CB 3.97Å; F190-K207 HydrophobicContact CZ-CB 3.66Å; K207-H213 PolarHBondContact O-NE2 3.48Å; K207-H213 VanDerWaalsContact O-NE2 3.07Å
208T98Very high98.4Very high92 Ų9258.5 Ų58.556%0.56429%0.286SS*.THydrogen-bonded Turntrans-99.416.3-176.755.60000112.9F168 K206F168-T208 HydrophobicContact CE2-CG2 3.99Å; F168-T208 HydrophobicContact CZ-CG2 4.04Å; K206-T208 PolarHBondContact O-N 2.8Å
209K98.5Very high98.3Very high114 Ų11457.7 Ų57.750%0.49628%0.284SS..SBendtrans-119.6136.6-179.3-67.1-61.3-178.1-171.30110.5K206 S211 S212 H213K206-K209 HydrophobicContact CB-CB 4.27Å; K206-K209 HydrophobicContact CB-CG 3.91Å; K206-K209 HydrophobicContact CD-CG 4.47Å; K206-K209 PolarHBondContact O-N 2.83Å; K209-S211 PolarHBondContact O-N 2.92Å; K209-S212 PolarHBondContact O-N 3.03Å; K209-S212 PolarHBondContact O-OG 2.87Å; K209-H213 PolarHBondContact O-CD2 3.35Å; K209-H213 PolarHBondContact O-NE2 2.86Å
210P98.6Very high98.3Very high47 Ų4760.7 Ų60.731%0.30530%0.295SS..G310 helixtrans-48.9-28.5177.9-3539.7000115.9Q96 S212 H213Q96-P210 HydrophobicContact CB-CB 4.26Å; Q96-P210 HydrophobicContact CG-CB 4.18Å; P210-S212 PolarHBondContact O-N 2.67Å; P210-S212 VanDerWaalsContact O-N 3.14Å; P210-H213 PolarHBondContact O-N 2.61Å
211S98.6Very high98.2Very high16 Ų1663.4 Ų63.411%0.11231%0.313CS..G310 helixtrans-57.5-25.9173.853.70000114.3G192 L193 K209G192-S211 CarbonylContact C-O 3.5Å; G192-S211 WeakPolarHBondContact CA-O 3.26Å; L193-S211 PolarHBondContact N-O 2.86Å; L193-S211 WeakPolarHBondContact O-CA 3.41Å; L193-S211 WeakPolarHBondContact O-CB 3.4Å; K209-S211 PolarHBondContact O-N 2.92Å
212S98.8Very high98.1Very high0 Ų061.1 Ų61.10%031%0.306CS..G310 helixtrans-92.6-8.3178.272.60000114.5I174 V205 K206 K209 P210 F214I174-S212 WeakPolarHBondContact CG2-O 3.26Å; V205-S212 VanDerWaalsContact CG1-CB 3.45Å; K206-S212 PolarHBondContact O-OG 3.02Å; K209-S212 PolarHBondContact O-N 3.03Å; K209-S212 PolarHBondContact O-OG 2.87Å; P210-S212 PolarHBondContact O-N 2.67Å; P210-S212 VanDerWaalsContact O-N 3.14Å; S212-F214 WeakPolarHBondContact O-CD2 3.24Å
213H98.9Very high97.9Very high6 Ų666 Ų663%0.02833%0.33CS..  trans-95.3122.3-167-64174.1000111S95 Q96 F168 Y172 K207 K209 P210S95-H213 WeakPolarHBondContact CA-O 3.43Å; Q96-H213 HydrophobicContact CB-CB 3.9Å; Q96-H213 PolarHBondContact N-O 3.15Å; Q96-H213 PolarHBondContact OE1-ND1 2.83Å; F168-H213 AromaticContact CD1-CD2 3.98Å; F168-H213 AromaticContact CD1-CE1 3.44Å; F168-H213 VanDerWaalsContact CD1-CE1 3.44Å; F168-H213 WeakPolarHBondContact CD1-CE1 3.2Å; F168-H213 AromaticContact CD1-NE2 3.26Å; F168-H213 VanDerWaalsContact CD1-NE2 3.26Å; F168-H213 WeakPolarHBondContact CD1-NE2 3.36Å; F168-H213 AromaticContact CE1-CE1 3.43Å; F168-H213 VanDerWaalsContact CE1-CE1 3.43Å; F168-H213 WeakPolarHBondContact CE1-CE1 3.44Å; F168-H213 AromaticContact CE1-NE2 3.49Å; F168-H213 WeakPolarHBondContact CE1-NE2 3.32Å; Y172-H213 HydrophobicContact CD1-CB 3.65Å; Y172-H213 HydrophobicContact CD2-CB 4.17Å; Y172-H213 AromaticContact CD2-CG 3.94Å; Y172-H213 AromaticContact CD2-ND1 3.6Å; Y172-H213 HydrophobicContact CE1-CB 4.19Å; Y172-H213 AromaticContact CE2-ND1 3.85Å; Y172-H213 HydrophobicContact CG-CB 3.63Å; Y172-H213 AromaticContact CG-CG 3.84Å; Y172-H213 AromaticContact CG-ND1 3.99Å; K207-H213 PolarHBondContact O-NE2 3.48Å; K207-H213 VanDerWaalsContact O-NE2 3.07Å; K209-H213 PolarHBondContact O-CD2 3.35Å; K209-H213 PolarHBondContact O-NE2 2.86Å; P210-H213 PolarHBondContact O-N 2.61Å
214F98.9Very high97.7Very high0 Ų064.9 Ų64.90%032%0.322CS..EExtended strand (participates in β ladder)trans-123.7150.4175.9-63.3-93.7000111L93 F94 L101 V173 Y175 L191 L193 S212L93-F214 HydrophobicContact CB-CD1 4.18Å; F94-F214 CarbonylContact O-C 3.46Å; F94-F214 VanDerWaalsContact O-CA 3.31Å; F94-F214 WeakPolarHBondContact O-CA 3.32Å; L101-F214 HydrophobicContact CB-CE1 4.43Å; V173-F214 PolarHBondContact N-O 2.96Å; V173-F214 PolarHBondContact O-N 2.97Å; Y175-F214 HydrophobicContact CD2-CD2 4.2Å; Y175-F214 HydrophobicContact CE2-CB 4.2Å; Y175-F214 HydrophobicContact CE2-CD2 4.49Å; Y175-F214 HydrophobicContact CE2-CG 4.46Å; L191-F214 HydrophobicContact CD2-CE2 4.36Å; L191-F214 HydrophobicContact CD2-CZ 4.37Å; L191-F214 HydrophobicContact CG-CE2 3.96Å; L191-F214 HydrophobicContact CG-CZ 3.96Å; L193-F214 HydrophobicContact CG-CZ 4.43Å; S212-F214 WeakPolarHBondContact O-CD2 3.24Å
215V98.7Very high97.5Very high32 Ų3265 Ų6519%0.19432%0.323CS..EExtended strand (participates in β ladder)trans-116.5109.1169.7-178.50000106.7F94 Y171 Y172 R217F94-V215 PolarHBondContact N-O 2.8Å; F94-V215 PolarHBondContact O-N 3.1Å; Y171-V215 HydrophobicContact CE1-CG2 3.98Å; Y172-V215 HydrophobicContact CD1-CG2 3.87Å; Y172-V215 HydrophobicContact CE1-CG2 4.05Å; V215-R217 PolarHBondContact O-N 3.25Å
216P98.3Very high97.1Very high35 Ų3570.2 Ų70.223%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-61.2135.5170.2-20.733.1000110.2R92 L93 V173 P218R92-P216 CarbonylContact O-C 3.54Å; R92-P216 WeakPolarHBondContact O-CA 3.35Å; L93-P216 HydrophobicContact CD2-CB 4.13Å; L93-P216 HydrophobicContact CD2-CG 4.13Å; V173-P216 HydrophobicContact CB-CG 4.25Å; V173-P216 HydrophobicContact CG2-CG 3.85Å; P216-P218 WeakPolarHBondContact O-CD 3.44Å
217R98Very high96.8Very high100 Ų10065.9 Ų65.938%0.37733%0.33SS..EExtended strand (participates in β ladder)trans-114.988.2168.2-63.8-167.5-176.7-164.11.6107.9T91 R92 Y100 E115 V215T91-R217 WeakPolarHBondContact CA-O 3.37Å; T91-R217 PolarHBondContact OG1-N 2.82Å; T91-R217 PolarHBondContact OG1-O 2.81Å; T91-R217 VanDerWaalsContact OG1-O 3.1Å; R92-R217 HydrophobicContact CB-CB 4.36Å; R92-R217 PolarHBondContact N-O 3.4Å; R92-R217 PolarHBondContact O-N 2.78Å; Y100-R217 PolarHBondContact OH-NE 3.45Å; Y100-R217 PolarHBondContact OH-NH1 3.22Å; Y100-R217 PolarHBondContact OH-NH2 2.85Å; E115-R217 IonicContact OE1-CZ 3.11Å; E115-R217 IonicContact OE1-NH1 3.74Å; E115-R217 PolarHBondContact OE1-NH1 2.64Å; E115-R217 IonicContact OE2-NH1 3Å; E115-R217 PolarHBondContact OE2-NH1 3.26Å; V215-R217 PolarHBondContact O-N 3.25Å
218P97.8Very high96.4Very high88 Ų8865.4 Ų65.457%0.57134%0.339SS*.EExtended strand (participates in β ladder)trans-62145179.8-20.533.2000111.1I89 P216I89-P218 HydrophobicContact CD1-CB 4.18Å; I89-P218 HydrophobicContact CD1-CG 4.11Å; P216-P218 WeakPolarHBondContact O-CD 3.44Å
219I97.4Very high96Very high89 Ų8965.5 Ų65.546%0.45634%0.335SS..EExtended strand (participates in β ladder)trans-110.7-56.3176.1-62.4170.3000108.4V90 R92 L121V90-I219 HydrophobicContact CG1-CD1 4.4Å; V90-I219 PolarHBondContact O-N 3.02Å; R92-I219 HydrophobicContact CG-CD1 4.37Å; L121-I219 HydrophobicContact CD2-CD1 3.29Å
220E96.4Very high95.5Very high115 Ų11564.3 Ų64.354%0.53733%0.331SS..EExtended strand (participates in β ladder)trans-147.2168.1-179.958.3172.1-166.900112.5I89 V90I89-E220 CarbonylContact C-O 3.51Å; I89-E220 VanDerWaalsContact CA-O 3.27Å; I89-E220 WeakPolarHBondContact CA-O 3.33Å; I89-E220 WeakPolarHBondContact CB-O 3.02Å; V90-E220 HydrophobicContact CB-CG 3.93Å; V90-E220 HydrophobicContact CG2-CG 4.15Å; V90-E220 PolarHBondContact N-O 3.12Å; V90-E220 PolarHBondContact O-N 3.08Å
221V97.3Very high95Very high91 Ų9171 Ų7155%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-108.9125.2-179.1176.10000108.2K87 I89K87-V221 HydrophobicContact CD-CG1 4.27Å; K87-V221 HydrophobicContact CG-CG1 3.85Å; I89-V221 HydrophobicContact CG2-CG2 4.13Å
222C95.4Very high94Very high27 Ų2773.3 Ų73.318%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-128152.4-172.7-540000111.4G88 Y224G88-C222 PolarHBondContact N-O 3.44Å; G88-C222 PolarHBondContact O-N 3.33Å; C222-Y224 HydrophobicContact CB-CD2 4.44Å; C222-Y224 HydrophobicContact CB-CE1 4.44Å; C222-Y224 HydrophobicContact CB-CE2 3.7Å
223M95.5Very high92.5Very high102 Ų10279.8 Ų79.850%0.50240%0.399SS..EExtended strand (participates in β ladder)trans-97.2117.1173.5-58.9-53.9-60.600109.1Q85 K87Q85-M223 HydrophobicContact CB-CB 4.33Å; Q85-M223 HydrophobicContact CB-CE 3.48Å; Q85-M223 VanDerWaalsContact CB-CE 3.48Å; Q85-M223 WeakPolarHBondContact O-CE 3.04Å; K87-M223 HydrophobicContact CB-CE 4.11Å; K87-M223 HydrophobicContact CB-SD 3.9Å; K87-M223 HydrophobicContact CG-SD 4Å
224Y94Very high90.4Very high28 Ų2883.7 Ų83.711%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-105.1146.3179.3-60.5-84.1000110.3Q85 L86 I89 V90 N123 I125 C222Q85-Y224 CarbonylContact C-O 3.54Å; Q85-Y224 VanDerWaalsContact CA-O 3.31Å; Q85-Y224 WeakPolarHBondContact CA-O 2.97Å; L86-Y224 PolarHBondContact N-O 3.26Å; L86-Y224 PolarHBondContact O-N 3.47Å; I89-Y224 PolarHBondContact O-OH 3.31Å; V90-Y224 WeakPolarHBondContact CG2-OH 3.45Å; N123-Y224 HydrophobicContact CB-CE1 3.67Å; N123-Y224 WeakPolarHBondContact CB-OH 3.37Å; N123-Y224 VanDerWaalsContact CG-CE1 3.47Å; N123-Y224 PolarHBondContact OD1-OH 3.34Å; I125-Y224 HydrophobicContact CD1-CD1 3.8Å; I125-Y224 HydrophobicContact CD1-CE1 4.26Å; I125-Y224 HydrophobicContact CD1-CG 4.01Å; I125-Y224 HydrophobicContact CG1-CD1 3.97Å; I125-Y224 HydrophobicContact CG1-CD2 4.01Å; I125-Y224 HydrophobicContact CG1-CE1 4.22Å; I125-Y224 HydrophobicContact CG1-CE2 4.24Å; I125-Y224 HydrophobicContact CG1-CG 3.86Å; I125-Y224 HydrophobicContact CG2-CD2 4.42Å; I125-Y224 HydrophobicContact CG2-CG 4.27Å; C222-Y224 HydrophobicContact CB-CD2 4.44Å; C222-Y224 HydrophobicContact CB-CE1 4.44Å; C222-Y224 HydrophobicContact CB-CE2 3.7Å
225R92.8Very high88Confident179 Ų17991.1 Ų91.168%0.67545%0.453SS*.EExtended strand (participates in β ladder)trans-68.9144.7163.7-167.7178-171.8-164.3-0.2109.1E83 P227E83-R225 IonicContact OE2-CZ 2.7Å; E83-R225 IonicContact OE2-NE 3.18Å; E83-R225 PolarHBondContact OE2-NE 3.1Å; E83-R225 IonicContact OE2-NH2 3.79Å; E83-R225 PolarHBondContact OE2-NH2 3.27Å; R225-P227 VanDerWaalsContact O-CD 3.31Å; R225-P227 WeakPolarHBondContact O-CD 3.39Å
226E90.8Very high85.7Confident110 Ų11098.4 Ų98.451%0.51448%0.484SS..PPolyproline II helixtrans-57.7122170.8-174.9165.3-160.700111P84 L86P84-E226 PolarHBondContact O-N 2.78Å; L86-E226 HydrophobicContact CD1-CB 4.1Å; L86-E226 HydrophobicContact CD1-CG 4.24Å; L86-E226 HydrophobicContact CG-CB 4.34Å
227P91.8Very high83.4Confident17 Ų17104 Ų10411%0.1150%0.5CS..PPolyproline II helixtrans-65.9134.1179.2-23.635.3000112I125 V127 F157 R225 L229I125-P227 HydrophobicContact CG2-CG 4.48Å; V127-P227 HydrophobicContact CG1-CG 4.38Å; F157-P227 HydrophobicContact CB-CB 3.81Å; F157-P227 HydrophobicContact CD1-CB 3.57Å; F157-P227 HydrophobicContact CD2-CB 4.23Å; F157-P227 HydrophobicContact CE1-CB 4.15Å; F157-P227 HydrophobicContact CG-CB 3.6Å; R225-P227 VanDerWaalsContact O-CD 3.31Å; R225-P227 WeakPolarHBondContact O-CD 3.39Å; P227-L229 PolarHBondContact O-N 3.36Å
228S89.3Confident80.9Confident85 Ų85104.6 Ų104.659%0.59452%0.52SS*.  trans-67.2113.4176.141.20000110.8H230S228-H230 PolarHBondContact O-CE1 3.38Å; S228-H230 PolarHBondContact O-N 2.88Å; S228-H230 PolarHBondContact O-ND1 2.67Å; S228-H230 PolarHBondContact OG-CE1 2.9Å
229L91.3Very high78.6Confident94 Ų94112 Ų11249%0.49254%0.537SS..  trans-73.2121.1178.5-173.969.8000110.6F157 P159 P227F157-L229 HydrophobicContact CD1-CB 4.32Å; F157-L229 HydrophobicContact CD1-CD1 3.93Å; F157-L229 HydrophobicContact CE1-CB 4.41Å; F157-L229 HydrophobicContact CE1-CD1 3.73Å; P159-L229 HydrophobicContact CG-CD1 4.1Å; P227-L229 PolarHBondContact O-N 3.36Å
230H87.8Confident76.3Confident89 Ų89116.9 Ų116.941%0.41256%0.555SS.*  trans-105.7143.9173.6-63.669.9000110.6V156 F157 P159 S228V156-H230 HydrophobicContact CG1-CB 3.55Å; V156-H230 VanDerWaalsContact CG1-ND1 3.34Å; V156-H230 WeakPolarHBondContact CG1-ND1 3.05Å; F157-H230 PolarHBondContact O-N 3.13Å; P159-H230 VanDerWaalsContact CD-O 3.23Å; P159-H230 WeakPolarHBondContact CD-O 3.39Å; S228-H230 PolarHBondContact O-CE1 3.38Å; S228-H230 PolarHBondContact O-N 2.88Å; S228-H230 PolarHBondContact O-ND1 2.67Å; S228-H230 PolarHBondContact OG-CE1 2.9Å
231E86.7Confident73.9Confident187 Ų187117.4 Ų117.487%0.87457%0.571SS**  trans-72.5152173.6-62.4-170.316200111.1
232I78.7Confident71.4Confident65 Ų65119 Ų11933%0.33359%0.586SS.*  trans-82.9118.2177.6-54.4159.5000107.1P159 E160 D234P159-I232 HydrophobicContact CB-CD1 4.41Å; E160-I232 HydrophobicContact CG-CD1 3.51Å; E160-I232 HydrophobicContact CG-CG1 4.25Å; I232-D234 PolarHBondContact O-N 2.96Å; I232-D234 VanDerWaalsContact O-N 3.13Å
233E67.3Low68.8Low137 Ų137120.9 Ų120.964%0.6461%0.61SS**  trans-65.2113.8172.7-71-167.3-17600110.5K235E233-K235 PolarHBondContact O-N 3.32Å; E233-K235 WeakPolarHBondContact OE2-CD 3.37Å; E233-K235 VanDerWaalsContact OE2-CE 3.24Å; E233-K235 WeakPolarHBondContact OE2-CE 3.43Å; E233-K235 IonicContact OE2-NZ 3.12Å; E233-K235 PolarHBondContact OE2-NZ 3.16Å
234D54Low66.4Low87 Ų87122.3 Ų122.347%0.46563%0.625SS.*  trans-72.424.1-172.9-111.2-11.3000114.7I232 H236 R237I232-D234 PolarHBondContact O-N 2.96Å; I232-D234 VanDerWaalsContact O-N 3.13Å; D234-H236 PolarHBondContact O-N 3.13Å; D234-R237 VanDerWaalsContact CG-NH1 3.35Å; D234-R237 PolarHBondContact O-N 2.89Å; D234-R237 VanDerWaalsContact O-N 3.11Å; D234-R237 WeakPolarHBondContact OD1-CD 3.39Å; D234-R237 WeakPolarHBondContact OD1-CG 3.43Å; D234-R237 IonicContact OD1-CZ 2.91Å; D234-R237 IonicContact OD1-NE 3.99Å; D234-R237 PolarHBondContact OD1-NE 3.48Å; D234-R237 VanDerWaalsContact OD1-NE 3.12Å; D234-R237 IonicContact OD1-NH1 2.86Å; D234-R237 PolarHBondContact OD1-NH1 2.95Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 IonicContact OD2-CZ 3.39Å; D234-R237 IonicContact OD2-NH1 2.82Å; D234-R237 PolarHBondContact OD2-NH1 3.11Å
235K47.8Very low64Low157 Ų157126.8 Ų126.868%0.68366%0.657SS**THydrogen-bonded Turntrans-57.5-17-176.9-83.1174.9178.2152.80114.8E233E233-K235 PolarHBondContact O-N 3.32Å; E233-K235 WeakPolarHBondContact OE2-CD 3.37Å; E233-K235 VanDerWaalsContact OE2-CE 3.24Å; E233-K235 WeakPolarHBondContact OE2-CE 3.43Å; E233-K235 IonicContact OE2-NZ 3.12Å; E233-K235 PolarHBondContact OE2-NZ 3.16Å
236H51.3Low61.7Low185 Ų185124 Ų12486%0.85666%0.66SS**THydrogen-bonded Turntrans-103.6-2179.5-83-95.8000115.7D234 S238D234-H236 PolarHBondContact O-N 3.13Å; H236-S238 VanDerWaalsContact C-N 3.35Å
237R49.1Very low59.6Low151 Ų151127.1 Ų127.157%0.5768%0.677SS**SBendtrans-82.2-10.8175.9-67.5-167.5179.5147.5-1.5114.2D234 R239D234-R237 VanDerWaalsContact CG-NH1 3.35Å; D234-R237 PolarHBondContact O-N 2.89Å; D234-R237 VanDerWaalsContact O-N 3.11Å; D234-R237 WeakPolarHBondContact OD1-CD 3.39Å; D234-R237 WeakPolarHBondContact OD1-CG 3.43Å; D234-R237 IonicContact OD1-CZ 2.91Å; D234-R237 IonicContact OD1-NE 3.99Å; D234-R237 PolarHBondContact OD1-NE 3.48Å; D234-R237 VanDerWaalsContact OD1-NE 3.12Å; D234-R237 IonicContact OD1-NH1 2.86Å; D234-R237 PolarHBondContact OD1-NH1 2.95Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 IonicContact OD2-CZ 3.39Å; D234-R237 IonicContact OD2-NH1 2.82Å; D234-R237 PolarHBondContact OD2-NH1 3.11Å; R237-R239 PolarHBondContact O-N 3.24Å
238S46.2Very low57.3Low113 Ų113134.1 Ų134.179%0.7971%0.714SS**  trans-81.336.2-178.8-157.90000114.9H236H236-S238 VanDerWaalsContact C-N 3.35Å
239R50.4Low54.7Low243 Ų243133.8 Ų133.892%0.91772%0.723SS**  trans-126.157166.1-79.9-171.1171.9173-1.7111R237R237-R239 PolarHBondContact O-N 3.24Å
240K47.7Very low52.1Low192 Ų192133.1 Ų133.184%0.83574%0.739SS**  trans-113.3125.8161.7-82.7-172.5174.6-178.10110.3
241S47Very low49.9Very low126 Ų126139 Ų13988%0.88176%0.764SS**  trans53.877.5140.3-175.40000117.9
242S44.2Very low47.8Very low125 Ų125135 Ų13587%0.87476%0.762SS**  trans-142.7130.614958.60000108.8
243G41.1Very low46.3Very low66 Ų66137.6 Ų137.668%0.6878%0.781SS**  cis-166146.6-14.300000107.7P245G243-P245 WeakPolarHBondContact O-CD 3.3Å
244T45.4Very low45Very low133 Ų133139 Ų13982%0.81679%0.793SS**  trans-65.6122.6179.1-38.30000109.7T246T244-T246 PolarHBondContact O-N 3.46Å; T244-T246 VanDerWaalsContact O-N 3.16Å
245P44.2Very low44.6Very low121 Ų121142.2 Ų142.279%0.78681%0.805SS**  trans-80.7100.3177.631.1-31.5000109.8G243G243-P245 WeakPolarHBondContact O-CD 3.3Å
246T43.1Very low44.3Very low121 Ų121141.5 Ų141.574%0.74281%0.809SS**  trans-87.7108.2165.8-49.30000108.6T244T244-T246 PolarHBondContact O-N 3.46Å; T244-T246 VanDerWaalsContact O-N 3.16Å
247M46.8Very low43.8Very low175 Ų175137.3 Ų137.386%0.86280%0.801SS**  trans-130.4102.4167.1-73.6-63.7-74.800109.5
248N43.8Very low43.6Very low165 Ų165140.4 Ų140.488%0.88284%0.837SS**  trans-96.5128.9162.1-102-15.9000107.5
249G35.9Very low43.5Very low77 Ų77141.8 Ų141.879%0.79484%0.839SS**  trans-175.899178.700000115.4
250G36.5Very low43.1Very low81 Ų81136.5 Ų136.584%0.83584%0.835SS**  trans63.4115.6138.300000120.2
251K41.4Very low42.9Very low213 Ų213133.4 Ų133.493%0.92684%0.835SS**  trans-59.1143.3157-71.2175.2171.5179.20111
252A41.6Very low42.6Very low102 Ų102133.8 Ų133.884%0.84383%0.832SS**  trans-139.2122.8144.900000108.8
253V47.2Very low42.5Very low120 Ų120134.4 Ų134.473%0.72783%0.829SS**  trans-81.6138.4168.4170.70000107.1
254N40.4Very low42.6Very low165 Ų165138.9 Ų138.988%0.88284%0.839SS**  trans-132.3122.3158.4-116.85.5000109.5
255Q45Very low42.4Very low155 Ų155139.4 Ų139.472%0.72484%0.841SS**  trans-86.2139157.4-65.1168.6-20.100106
256D41.4Very low42.3Very low142 Ų142140.8 Ų140.876%0.75985%0.845SS**  168.5136.2111.1-102.3-46.8000114.1
257S41.9Very low42.2Very low98 Ų98142.4 Ų142.469%0.68585%0.854SS**  trans44.2107135.9-55.40000120.7
258T44.7Very low41.8Very low216 Ų216139.5 Ų139.5100%1.32585%0.853SS**  -159.30101.9-61.20000109.2

Retrieved 258 of 258 residues in 127 ms (Link to these results)