A0A087XRD8_POEFO Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A087XRD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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
1V36.9Very low42.8Very low207 Ų207131.5 Ų131.5100%1.25580%0.8SS**  01420178.70000108.2
2K36.7Very low43.1Very low187 Ų187138.8 Ų138.881%0.81380%0.802SS**  trans-88.5172.9-164.2-167.6169.8-173.6173.10111.9
3L32.5Very low43.4Very low167 Ų167136 Ų13687%0.87479%0.789SS**  trans93.3124.4171.1-69.993.6000114.9
4G34.7Very low43.7Very low69 Ų69132.9 Ų132.971%0.71177%0.773SS**  cis119.2105.38.400000110.7
5M41.1Very low44Very low194 Ų194133.5 Ų133.596%0.95677%0.771SS**  trans-143.893.7163.2-74.5-177.767.300109.4
6G39Very low44.2Very low75 Ų75132 Ų13277%0.77376%0.764SS**  trans-72.3147.5171.800000111.8
7S44.9Very low44.3Very low100 Ų100132.6 Ų132.670%0.69976%0.763SS**  trans-54.4127.6-176.8178.70000114.3S9S7-S9 PolarHBondContact O-N 2.83Å
8L52.2Low44.1Very low151 Ų151131.4 Ų131.479%0.79175%0.754SS**THydrogen-bonded Turntrans-64.17.2174.8-89.3142.9000115.1
9S50.9Low44.1Very low94 Ų94132.3 Ų132.366%0.65776%0.755SS**THydrogen-bonded Turntrans-80.8-17.7-179.3-179.50000114.4S7S7-S9 PolarHBondContact O-N 2.83Å
10A52.3Low44Very low70 Ų70132.1 Ų132.158%0.57976%0.756SS**SBendtrans-91-10.8-173.700000114.5
11L49.1Very low44.1Very low133 Ų133130.9 Ų130.970%0.69675%0.751SS**SBendtrans-92.4-10.8-175.2-95.1143.4000114.4
12R47.2Very low44.4Very low218 Ų218124.6 Ų124.682%0.82372%0.721SS**SBendtrans-89.7-18.7176.6-79.5-171.5168.4-159.1-2.5114.4
13T47.2Very low44.7Very low103 Ų103123.9 Ų123.963%0.63273%0.725SS**SBendtrans-87.5-19-18029.90000114
14V47.8Very low45.4Very low93 Ų93120.9 Ų120.956%0.56473%0.725SS**THydrogen-bonded Turntrans-84.5-21.4178.5-178.90000112.6N18V14-N18 PolarHBondContact O-ND2 3.34Å
15L47.1Very low45.6Very low141 Ų141120.4 Ų120.474%0.73872%0.719SS**THydrogen-bonded Turntrans-82.3-18.5-179.2-135.1105.8000113.8
16V47.6Very low45.4Very low110 Ų110117.7 Ų117.767%0.66772%0.718SS**THydrogen-bonded Turntrans-86.6-22.2178.5-1740000111.9
17L45.7Very low45.4Very low142 Ų142118.5 Ų118.574%0.74372%0.717SS**THydrogen-bonded Turntrans-84.9-12178.7-157.967.4000113.9
18N41Very low45.1Very low112 Ų112120 Ų12060%0.59972%0.724SS**THydrogen-bonded Turntrans-100.61.8177.8-75.5-66.8000114.5V14V14-N18 PolarHBondContact O-ND2 3.34Å
19L43.9Very low44.7Very low147 Ų147116.4 Ų116.477%0.7772%0.724SS**SBendtrans-100.3-0.1177.2-156.570.3000113.8
20V43.1Very low44.2Very low129 Ų129118.4 Ų118.478%0.78273%0.727SS**SBendtrans-104.4-4.2175.5-164.10000112.3
21T46.1Very low43.8Very low106 Ų106122.6 Ų122.665%0.6574%0.739SS**SBendtrans-9817.317742.10000114.1
22A41.8Very low43.6Very low75 Ų75118.5 Ų118.562%0.6273%0.73SS**SBendtrans-118.929.9-177.900000114.6
23L43.4Very low43.9Very low173 Ų173111.2 Ų111.291%0.90671%0.709SS**  trans-124.931.3162.5-68176.4000111.9G25L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 3.35Å
24A46.8Very low44.1Very low104 Ų104109.5 Ų109.586%0.8671%0.705SS**  trans-75.284.3161.600000108.7
25G39.3Very low44.3Very low58 Ų58112.4 Ų112.460%0.59871%0.713SS**  trans-160.7102177.600000112.1L23L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 3.35Å
26C38Very low44.4Very low138 Ų138114.4 Ų114.493%0.93271%0.711SS**  trans80.894.7156.4-530000118.6
27A37.4Very low44.3Very low91 Ų91116.8 Ų116.875%0.75271%0.708SS**  trans-161.6137139.500000111.4
28P39.1Very low44.9Very low131 Ų131113.1 Ų113.185%0.85169%0.687SS**  trans-82.8147-177.433.4-32.8000112.7
29G43.3Very low45.5Very low76 Ų76110.4 Ų110.478%0.78468%0.68SS**  trans83.856.815100000118.6N31G29-N31 PolarHBondContact O-N 3.05Å
30L41.3Very low46Very low137 Ų137107.2 Ų107.272%0.71766%0.663SS**THydrogen-bonded Turntrans-96.359172.5-91.3156.9000112.8T33L30-T33 HydrophobicContact CD2-CG2 3.49Å; L30-T33 VanDerWaalsContact CD2-CG2 3.49Å
31N43.3Very low46.6Very low157 Ų157107.9 Ų107.984%0.8465%0.652SS**THydrogen-bonded Turntrans-103.8-5163.9-83.8-3.7000112.8G29G29-N31 PolarHBondContact O-N 3.05Å
32G45.7Very low47Very low48 Ų48104.2 Ų104.250%0.49563%0.631SS.*SBendtrans-99.5-3.6-171.500000116.8R36G32-R36 WeakPolarHBondContact O-CB 3.1Å
33T53.2Low47.7Very low65 Ų65109.8 Ų109.840%0.39964%0.636SS.*Hα-helixtrans-84.2-41.2-175.847.10000112.5L30 E35 R36 W37L30-T33 HydrophobicContact CD2-CG2 3.49Å; L30-T33 VanDerWaalsContact CD2-CG2 3.49Å; T33-E35 PolarHBondContact O-N 2.93Å; T33-R36 PolarHBondContact O-N 2.92Å; T33-W37 PolarHBondContact O-N 3.27Å
34A51.7Low47.8Very low66 Ų66104.8 Ų104.855%0.54562%0.616SS.*Hα-helixtrans-59.8-46.5178.200000111.5R36 W37 E38A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.36Å; A34-W37 PolarHBondContact O-N 3.37Å; A34-E38 WeakPolarHBondContact O-CB 3.32Å; A34-E38 WeakPolarHBondContact O-CG 2.92Å; A34-E38 PolarHBondContact O-N 3.38Å
35E52.3Low48Very low155 Ų155104.1 Ų104.172%0.72460%0.597SS**Hα-helixtrans-64.1-36.3178.6-60.8-158.915400112.8T33 E38 A39T33-E35 PolarHBondContact O-N 2.93Å; E35-E38 PolarHBondContact O-N 3.45Å; E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 2.92Å
36R49Very low48.6Very low183 Ų183105.2 Ų105.269%0.69160%0.601SS**Hα-helixtrans-67.2-43176.6-178.8174.8176.2173.3-1.6112.1G32 T33 A34 L40G32-R36 WeakPolarHBondContact O-CB 3.1Å; T33-R36 PolarHBondContact O-N 2.92Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.36Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.02Å; R36-L40 PolarHBondContact O-N 3.19Å
37W44.8Very low49.1Very low159 Ų159109 Ų10960%0.60260%0.595SS**Hα-helixtrans-67.7-37.6175.7-69.7116.2000111.4T33 A34 L40 Y41T33-W37 PolarHBondContact O-N 3.27Å; A34-W37 PolarHBondContact O-N 3.37Å; W37-L40 HydrophobicContact CE3-CD1 4.02Å; W37-L40 HydrophobicContact CZ3-CD1 4.25Å; W37-L40 CarbonylContact O-C 3.58Å; W37-L40 WeakPolarHBondContact O-CA 3.48Å; W37-L40 WeakPolarHBondContact O-CB 2.94Å; W37-L40 PolarHBondContact O-N 3.16Å; W37-L40 VanDerWaalsContact O-N 3.14Å; W37-Y41 HydrophobicContact CB-CD2 4.39Å; W37-Y41 HydrophobicContact CB-CE2 4.22Å; W37-Y41 WeakPolarHBondContact O-CD2 3.34Å; W37-Y41 PolarHBondContact O-N 3.07Å
38E58.8Low49.4Very low66 Ų66111.2 Ų111.231%0.30859%0.593SS.*Hα-helixtrans-68.9-35.1178-68.7-83.6-143.100113.3A34 E35 L40 Y41 S42 R98A34-E38 WeakPolarHBondContact O-CB 3.32Å; A34-E38 WeakPolarHBondContact O-CG 2.92Å; A34-E38 PolarHBondContact O-N 3.38Å; E35-E38 PolarHBondContact O-N 3.45Å; E38-L40 VanDerWaalsContact C-N 3.3Å; E38-Y41 PolarHBondContact O-N 2.98Å; E38-S42 WeakPolarHBondContact O-CB 3.26Å; E38-S42 PolarHBondContact O-N 3.14Å; E38-S42 PolarHBondContact O-OG 3.43Å; E38-R98 IonicContact OE1-CZ 2.63Å; E38-R98 IonicContact OE1-NH1 3.66Å; E38-R98 PolarHBondContact OE1-NH1 3.32Å
39A54.1Low49.9Very low54 Ų54110.8 Ų110.845%0.44659%0.59SS.*Hα-helixtrans-64.8-35.7169.800000111.8E35 R43E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 2.92Å; A39-R43 WeakPolarHBondContact O-CG 3.46Å; A39-R43 PolarHBondContact O-N 3.21Å
40L53.4Low50.4Low81 Ų81110.5 Ų110.542%0.42459%0.588SS.*Hα-helixtrans-72.7-37.6173.7-66.7170.9000112R36 W37 E38 R43 S44R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.02Å; R36-L40 PolarHBondContact O-N 3.19Å; W37-L40 HydrophobicContact CE3-CD1 4.02Å; W37-L40 HydrophobicContact CZ3-CD1 4.25Å; W37-L40 CarbonylContact O-C 3.58Å; W37-L40 WeakPolarHBondContact O-CA 3.48Å; W37-L40 WeakPolarHBondContact O-CB 2.94Å; W37-L40 PolarHBondContact O-N 3.16Å; W37-L40 VanDerWaalsContact O-N 3.14Å; E38-L40 VanDerWaalsContact C-N 3.3Å; L40-R43 CarbonylContact O-C 3.41Å; L40-R43 WeakPolarHBondContact O-CA 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-R43 VanDerWaalsContact O-N 3.14Å; L40-S44 PolarHBondContact O-N 2.98Å
41Y55.6Low50.5Low142 Ų142113.2 Ų113.256%0.55760%0.597SS**Hα-helixtrans-64.2-40.4172.9-79.8-67.3000112.3W37 E38 R43 S44 L45W37-Y41 HydrophobicContact CB-CD2 4.39Å; W37-Y41 HydrophobicContact CB-CE2 4.22Å; W37-Y41 WeakPolarHBondContact O-CD2 3.34Å; W37-Y41 PolarHBondContact O-N 3.07Å; E38-Y41 PolarHBondContact O-N 2.98Å; Y41-R43 PolarHBondContact O-N 3.11Å; Y41-S44 WeakPolarHBondContact CA-OG 3.33Å; Y41-S44 PolarHBondContact O-N 3.05Å; Y41-S44 VanDerWaalsContact O-N 3.17Å; Y41-S44 PolarHBondContact O-OG 3.35Å; Y41-L45 PolarHBondContact O-N 2.8Å; Y41-L45 VanDerWaalsContact O-N 3.14Å
42S54.8Low50.4Low30 Ų30115.7 Ų115.721%0.2160%0.6CS.*Hα-helixtrans-60.7-33172.5-58.90000112E38E38-S42 WeakPolarHBondContact O-CB 3.26Å; E38-S42 PolarHBondContact O-N 3.14Å; E38-S42 PolarHBondContact O-OG 3.43Å
43R55.5Low50.4Low192 Ų192122.1 Ų122.173%0.72561%0.609SS**Hα-helixtrans-76.8-32.1174.5-79.1178.5165-151.8-2.7113.2A39 L40 Y41 A46A39-R43 WeakPolarHBondContact O-CG 3.46Å; A39-R43 PolarHBondContact O-N 3.21Å; L40-R43 CarbonylContact O-C 3.41Å; L40-R43 WeakPolarHBondContact O-CA 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-R43 VanDerWaalsContact O-N 3.14Å; Y41-R43 PolarHBondContact O-N 3.11Å; R43-A46 WeakPolarHBondContact O-CB 3.49Å
44S47.4Very low50.2Low67 Ų67126.8 Ų126.847%0.46963%0.627SS.*Hα-helixtrans-81-29-176.266.50000113.9L40 Y41 A46 R47L40-S44 PolarHBondContact O-N 2.98Å; Y41-S44 WeakPolarHBondContact CA-OG 3.33Å; Y41-S44 PolarHBondContact O-N 3.05Å; Y41-S44 VanDerWaalsContact O-N 3.17Å; Y41-S44 PolarHBondContact O-OG 3.35Å; S44-A46 PolarHBondContact O-N 2.88Å; S44-A46 VanDerWaalsContact O-N 3.11Å; S44-R47 PolarHBondContact O-N 2.76Å
45L51Low50Low90 Ų90131.7 Ų131.747%0.47164%0.638SS.*G310 helixtrans-64.5-11.3174-74.7174.6000113.9Y41 R47 I48 L69Y41-L45 PolarHBondContact O-N 2.8Å; Y41-L45 VanDerWaalsContact O-N 3.14Å; L45-R47 PolarHBondContact O-N 2.91Å; L45-R47 VanDerWaalsContact O-N 3.11Å; L45-I48 HydrophobicContact CD2-CD1 4.42Å; L45-L69 HydrophobicContact CB-CD1 3.61Å
46A52Low49.8Very low81 Ų81130.1 Ų130.167%0.66963%0.633SS**G310 helixtrans-67.2-2.517200000113.9R43 S44R43-A46 WeakPolarHBondContact O-CB 3.49Å; S44-A46 PolarHBondContact O-N 2.88Å; S44-A46 VanDerWaalsContact O-N 3.11Å
47R47.7Very low49.9Very low218 Ų218125.9 Ų125.982%0.82363%0.632SS**G310 helixtrans-14341.7-167.7-147.7-173-144154.35.4116.6S44 L45 P49S44-R47 PolarHBondContact O-N 2.76Å; L45-R47 PolarHBondContact O-N 2.91Å; L45-R47 VanDerWaalsContact O-N 3.11Å; R47-P49 VanDerWaalsContact O-CD 3.26Å; R47-P49 WeakPolarHBondContact O-CD 2.83Å
48I43.3Very low50.4Low138 Ų138124.7 Ų124.771%0.70863%0.627SS**  trans-105.1100.2165.1-52.7-175.2000110.1L45L45-I48 HydrophobicContact CD2-CD1 4.42Å
49P49.4Very low50.3Low121 Ų121127.3 Ų127.379%0.78664%0.643SS**  trans-99115.6155.919-2.1000109R47R47-P49 VanDerWaalsContact O-CD 3.26Å; R47-P49 WeakPolarHBondContact O-CD 2.83Å
50G54.7Low50.5Low71 Ų71126.2 Ų126.273%0.73264%0.637SS**  trans165.863.4174.700000114.5
51E42.8Very low50.7Low194 Ų194127.2 Ų127.291%0.90764%0.643SS**SBendtrans-139.3146.1156.4-125.5172.217400110
52K40.8Very low50.8Low208 Ų208128.1 Ų128.190%0.90465%0.647SS**  trans-60.8141.8-148.6-70.7169.2175.21730114.8E54K52-E54 PolarHBondContact O-N 2.83Å
53R47Very low51Low183 Ų183132.9 Ų132.969%0.69167%0.669SS**  trans-77.7102.7179.3-164.1-177.6-162.4175.96.2109.9R58R53-R58 VanDerWaalsContact NH2-CZ 3.26Å
54E47.5Very low51.6Low164 Ų164127.6 Ų127.677%0.76666%0.655SS**  trans-86.6130.8153.2-73.2-176.3171.700107.6K52 I56K52-E54 PolarHBondContact O-N 2.83Å; E54-I56 PolarHBondContact O-N 3.32Å
55E47.1Very low53.1Low169 Ų169126.2 Ų126.279%0.7965%0.651SS**  trans-70.976.6-179.5-73.1-168.713900111.1
56I49Very low54.8Low121 Ų121128.7 Ų128.762%0.62166%0.664SS**  trans-98.2133.5164.5-63.5169.1000106.6E54 R58E54-I56 PolarHBondContact O-N 3.32Å; I56-R58 PolarHBondContact O-N 3.04Å
57S50.8Low56.8Low94 Ų94131.6 Ų131.666%0.65766%0.661SS**  trans-31109-173.4-73.80000113.4D59 G60S57-D59 PolarHBondContact O-N 2.9Å; S57-G60 PolarHBondContact O-N 2.75Å
58R54.9Low59Low135 Ų135124.2 Ų124.251%0.50963%0.633SS.*Hα-helixtrans-51.1-30.1-176-57.5-179.6-175.8170.94.8112.2R53 I56 G60 D61 Y62R53-R58 VanDerWaalsContact NH2-CZ 3.26Å; I56-R58 PolarHBondContact O-N 3.04Å; R58-G60 VanDerWaalsContact C-N 3.31Å; R58-G60 PolarHBondContact O-N 3.17Å; R58-D61 PolarHBondContact O-N 2.93Å; R58-Y62 HydrophobicContact CB-CE2 4.16Å; R58-Y62 VanDerWaalsContact CB-OH 3.32Å; R58-Y62 WeakPolarHBondContact CB-OH 3.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 WeakPolarHBondContact O-CE2 3.33Å; R58-Y62 VanDerWaalsContact O-CZ 3.25Å
59D56.6Low61.6Low121 Ų121118.9 Ų118.965%0.64761%0.606SS**Hα-helixtrans-57.3-36.2177.4-64.8-16.5000114.5S57 Y62S57-D59 PolarHBondContact O-N 2.9Å; D59-Y62 VanDerWaalsContact CA-CD2 3.4Å; D59-Y62 VanDerWaalsContact CA-CE2 3.45Å; D59-Y62 WeakPolarHBondContact O-CD2 3.49Å
60G59.3Low63.9Low31 Ų31116.6 Ų116.632%0.3258%0.582SS.*Hα-helixtrans-73.7-34.5-178.700000113.4S57 R58 Y62 L63 L64S57-G60 PolarHBondContact O-N 2.75Å; R58-G60 VanDerWaalsContact C-N 3.31Å; R58-G60 PolarHBondContact O-N 3.17Å; G60-Y62 VanDerWaalsContact C-N 3.33Å; G60-Y62 PolarHBondContact O-N 2.88Å; G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 PolarHBondContact O-N 2.78Å; G60-L63 VanDerWaalsContact O-N 3.07Å; G60-L64 PolarHBondContact O-N 2.94Å; G60-L64 VanDerWaalsContact O-N 3.16Å
61D57.6Low66Low102 Ų102114.3 Ų114.355%0.54555%0.551SS.*Hα-helixtrans-69.4-31.7-178.7-83.1-5.3000112.2R58 L63 L64 G65R58-D61 PolarHBondContact O-N 2.93Å; D61-L63 PolarHBondContact O-N 3.32Å; D61-L64 PolarHBondContact O-N 3.14Å; D61-G65 PolarHBondContact O-N 3.23Å
62Y56.6Low68.6Low161 Ų161105 Ų10563%0.63151%0.508SS*.Hα-helixtrans-64-32.1172.1-41.9-59.8000111.6R58 D59 G60 G65R58-Y62 HydrophobicContact CB-CE2 4.16Å; R58-Y62 VanDerWaalsContact CB-OH 3.32Å; R58-Y62 WeakPolarHBondContact CB-OH 3.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 WeakPolarHBondContact O-CE2 3.33Å; R58-Y62 VanDerWaalsContact O-CZ 3.25Å; D59-Y62 VanDerWaalsContact CA-CD2 3.4Å; D59-Y62 VanDerWaalsContact CA-CE2 3.45Å; D59-Y62 WeakPolarHBondContact O-CD2 3.49Å; G60-Y62 VanDerWaalsContact C-N 3.33Å; G60-Y62 PolarHBondContact O-N 2.88Å; Y62-G65 PolarHBondContact O-N 2.8Å
63L59.1Low71.4Confident129 Ų12997.2 Ų97.268%0.67547%0.473SS*.Hα-helixtrans-74.6-30.7177.8-58.3176.1000112.3G60 D61 G65G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 PolarHBondContact O-N 2.78Å; G60-L63 VanDerWaalsContact O-N 3.07Å; D61-L63 PolarHBondContact O-N 3.32Å; L63-G65 VanDerWaalsContact C-N 3.25Å
64L68.9Low73.9Confident81 Ų8188.5 Ų88.542%0.42444%0.44SS..Hα-helixtrans-76-14173.5-64.7177.9000112.9G60 D61 P106 V107G60-L64 PolarHBondContact O-N 2.94Å; G60-L64 VanDerWaalsContact O-N 3.16Å; D61-L64 PolarHBondContact O-N 3.14Å; L64-P106 WeakPolarHBondContact O-CB 3.5Å; L64-P106 WeakPolarHBondContact O-CD 3.18Å; L64-P106 WeakPolarHBondContact O-CG 3.5Å; L64-V107 WeakPolarHBondContact CD2-O 3.47Å
65G78.5Confident76.3Confident39 Ų3985 Ų8540%0.40243%0.427SS..  trans60.5-179.4167.900000116D61 Y62 L63D61-G65 PolarHBondContact O-N 3.23Å; Y62-G65 PolarHBondContact O-N 2.8Å; L63-G65 VanDerWaalsContact C-N 3.25Å
66I87.9Confident78.7Confident142 Ų14277.4 Ų77.473%0.72839%0.391SS*.  trans-84.5129.3-174.1-58.5171.8000110.4
67K92.5Very high80.9Confident142 Ų14274.2 Ų74.262%0.61739%0.389SS*.  trans-65.4131.2169.3-65.7176.2179.2173.70110.1Q103 I104K67-Q103 HydrophobicContact CB-CG 4.42Å; K67-I104 WeakPolarHBondContact CA-O 3.28Å
68R95.4Very high83.2Confident63 Ų6375.1 Ų75.124%0.23839%0.385CS..EExtended strand (participates in β ladder)trans-119.4126.3-176.4-61.1172.9-73.7154.6-6.4110.5R70 Q103 I104 E145R68-R70 HydrophobicContact CB-CG 4.15Å; R68-Q103 WeakPolarHBondContact O-CA 3.29Å; R68-I104 HydrophobicContact CB-CB 4.37Å; R68-I104 PolarHBondContact N-O 3.32Å; R68-I104 PolarHBondContact O-N 3.24Å; R68-E145 IonicContact CZ-OE1 3.84Å; R68-E145 IonicContact CZ-OE2 3.71Å; R68-E145 IonicContact NH1-OE1 3.72Å; R68-E145 PolarHBondContact NH1-OE1 3.07Å; R68-E145 IonicContact NH1-OE2 3.41Å; R68-E145 IonicContact NH2-OE1 3.35Å; R68-E145 PolarHBondContact NH2-OE1 3.15Å; R68-E145 IonicContact NH2-OE2 2.76Å; R68-E145 PolarHBondContact NH2-OE2 2.85Å
69L97.1Very high85.2Confident26 Ų2668.7 Ų68.714%0.13636%0.361CS..EExtended strand (participates in β ladder)trans-86.3114.1167.3-65.2179.6000109.4L45 L101 L102 Q103 V117L45-L69 HydrophobicContact CB-CD1 3.61Å; L69-L101 HydrophobicContact CB-CD1 4.4Å; L69-L102 CarbonylContact C-O 3.53Å; L69-L102 WeakPolarHBondContact CA-O 3.39Å; L69-Q103 HydrophobicContact CD2-CB 3.83Å; L69-Q103 HydrophobicContact CD2-CG 4.18Å; L69-V117 HydrophobicContact CD2-CG2 3.78Å
70R98.1Very high87.2Confident73 Ų7363.7 Ų63.728%0.27533%0.333SS..EExtended strand (participates in β ladder)trans-146.4160.8-176.1-64.6-64.9-178.2-86.71.8111.3R68 L102 I104 P190 R191R68-R70 HydrophobicContact CB-CG 4.15Å; R70-L102 PolarHBondContact N-O 3.32Å; R70-L102 WeakPolarHBondContact O-CA 3.38Å; R70-L102 WeakPolarHBondContact O-CB 3.24Å; R70-L102 PolarHBondContact O-N 2.86Å; R70-L102 VanDerWaalsContact O-O 3.11Å; R70-I104 HydrophobicContact CB-CD1 3.99Å; R70-I104 HydrophobicContact CG-CD1 4.35Å; R70-P190 HydrophobicContact CB-CB 4.3Å; R70-P190 HydrophobicContact CG-CB 4.24Å; R70-R191 CarbonylContact C-O 3.59Å; R70-R191 WeakPolarHBondContact CA-O 3.5Å; R70-R191 WeakPolarHBondContact CB-O 3.44Å; R70-R191 WeakPolarHBondContact CD-O 3.34Å
71R98.3Very high89.1Confident22 Ų2262.4 Ų62.48%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-104.5137.6165.2-58.9-176.8168.177.41.3108.9E96 S100 L101 P190 R191 I192R71-E96 WeakPolarHBondContact CD-OE2 3.31Å; R71-E96 IonicContact CZ-OE2 3.77Å; R71-E96 IonicContact NE-OE2 3.46Å; R71-E96 IonicContact NH1-OE2 3.32Å; R71-S100 WeakPolarHBondContact CG-O 3.48Å; R71-S100 PolarHBondContact NE-OG 2.8Å; R71-L101 HydrophobicContact CG-CD1 4.45Å; R71-P190 CarbonylContact O-C 3.46Å; R71-P190 WeakPolarHBondContact O-CA 3.47Å; R71-R191 PolarHBondContact N-O 3.48Å; R71-R191 PolarHBondContact O-N 3.03Å; R71-I192 PolarHBondContact NH1-OXT 3.36Å
72L98.6Very high91.1Very high0 Ų057.5 Ų57.50%029%0.293CS..EExtended strand (participates in β ladder)trans-97.1101.1177.2-66.2-176.9000110.1H81 I82 L102 I104 L114 Y155 F188 P190L72-H81 WeakPolarHBondContact O-CA 3.18Å; L72-I82 HydrophobicContact CB-CB 4.49Å; L72-I82 PolarHBondContact O-N 2.92Å; L72-L102 HydrophobicContact CB-CD1 4.42Å; L72-L102 HydrophobicContact CD1-CD1 3.83Å; L72-L102 HydrophobicContact CG-CD1 3.92Å; L72-I104 HydrophobicContact CD2-CD1 4.05Å; L72-L114 HydrophobicContact CD1-CD1 3.88Å; L72-L114 HydrophobicContact CD1-CD2 4.07Å; L72-Y155 HydrophobicContact CD1-CD2 4.38Å; L72-Y155 HydrophobicContact CD1-CE2 3.81Å; L72-Y155 HydrophobicContact CD2-CE2 3.99Å; L72-Y155 VanDerWaalsContact CD2-OH 3.24Å; L72-Y155 WeakPolarHBondContact CD2-OH 3.41Å; L72-F188 HydrophobicContact CB-CB 4.29Å; L72-F188 HydrophobicContact CB-CD1 4Å; L72-F188 HydrophobicContact CB-CG 4.43Å; L72-P190 HydrophobicContact CD2-CB 4.2Å; L72-P190 HydrophobicContact CD2-CG 4.07Å
73Y98.6Very high93Very high44 Ų4450.9 Ų50.917%0.17327%0.268CS..EExtended strand (participates in β ladder)trans-90.7125.4-179.5176.7-103000111.9N75 G79 F80 H81 F188 L189Y73-N75 HydrophobicContact CE1-CB 3.78Å; Y73-G79 WeakPolarHBondContact OH-CA 3.47Å; Y73-F80 CarbonylContact C-O 3.59Å; Y73-F80 WeakPolarHBondContact CA-O 3.5Å; Y73-H81 AromaticContact CD2-CD2 3.94Å; Y73-H81 AromaticContact CD2-CE1 3.66Å; Y73-H81 AromaticContact CD2-NE2 3.5Å; Y73-H81 WeakPolarHBondContact CD2-NE2 3.41Å; Y73-H81 AromaticContact CG-NE2 3.98Å; Y73-F188 CarbonylContact O-C 3.54Å; Y73-F188 VanDerWaalsContact O-CA 3.28Å; Y73-F188 WeakPolarHBondContact O-CA 3.3Å; Y73-L189 PolarHBondContact N-O 3.28Å; Y73-L189 PolarHBondContact O-N 2.96Å
74C98.6Very high94.9Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-106.6119.8173.1-169.30000109.7V76 G79 F80 L167 H187 F188C74-V76 VanDerWaalsContact C-N 3.27Å; C74-V76 HydrophobicContact CB-CG2 4.36Å; C74-V76 PolarHBondContact O-N 3.2Å; C74-G79 WeakPolarHBondContact O-CA 3.4Å; C74-F80 PolarHBondContact N-O 3.01Å; C74-F80 PolarHBondContact O-N 3.38Å; C74-L167 HydrophobicContact CB-CB 4.46Å; C74-L167 HydrophobicContact CB-CD1 4.14Å; C74-H187 WeakPolarHBondContact CA-O 3.41Å; C74-H187 PolarHBondContact SG-O 2.99Å; C74-F188 HydrophobicContact CB-CD1 3.76Å; C74-F188 HydrophobicContact CB-CE1 3.61Å; C74-F188 HydrophobicContact CB-CZ 4.35Å
75N97.9Very high96.4Very high91 Ų9142.1 Ų42.149%0.48722%0.221SC..  trans-82.168.8-179.9-169.310.7000111.5Y73 Y152Y73-N75 HydrophobicContact CE1-CB 3.78Å; N75-Y152 HydrophobicContact CB-CE1 4.38Å
76V97.6Very high97.3Very high8 Ų844 Ų445%0.04823%0.227CC..SBendtrans-131140.8176.4-66.50000111.3C74 I78 G79 F80 L167 V185C74-V76 VanDerWaalsContact C-N 3.27Å; C74-V76 HydrophobicContact CB-CG2 4.36Å; C74-V76 PolarHBondContact O-N 3.2Å; V76-I78 PolarHBondContact O-N 3.5Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 2.84Å; V76-F80 HydrophobicContact CG2-CD2 4.15Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.27Å; V76-F80 WeakPolarHBondContact O-CE2 3.44Å; V76-L167 HydrophobicContact CG2-CB 4.45Å; V76-V185 HydrophobicContact CG1-CG1 4.15Å
77G97.1Very high97.8Very high55 Ų5541.7 Ų41.757%0.56722%0.216SC*.THydrogen-bonded Turntrans61.6-121.7-175.200000110.3G79G77-G79 VanDerWaalsContact C-N 3.26Å
78I97.6Very high98.1Very high112 Ų11235.6 Ų35.657%0.57419%0.193SC*.THydrogen-bonded Turntrans-83.1-0.7172.962172.8000113.2V76 F80 H94V76-I78 PolarHBondContact O-N 3.5Å; I78-F80 HydrophobicContact CD1-CE1 4.07Å; I78-F80 HydrophobicContact CD1-CZ 4.08Å; I78-F80 HydrophobicContact CG1-CE1 3.85Å; I78-F80 HydrophobicContact CG1-CE2 4.03Å; I78-F80 HydrophobicContact CG1-CZ 3.48Å; I78-F80 VanDerWaalsContact CG1-CZ 3.48Å; I78-H94 HydrophobicContact CD1-CB 3.82Å; I78-H94 HydrophobicContact CG1-CB 4.38Å; I78-H94 PolarHBondContact O-CE1 3.31Å; I78-H94 PolarHBondContact O-ND1 3.37Å
79G98.3Very high98.2Very high0 Ų039.8 Ų39.80%021%0.209CC..  trans82.9137.1-173.700000112.3Y73 C74 V76 G77 H94Y73-G79 WeakPolarHBondContact OH-CA 3.47Å; C74-G79 WeakPolarHBondContact O-CA 3.4Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 2.84Å; G77-G79 VanDerWaalsContact C-N 3.26Å; G79-H94 PolarHBondContact O-ND1 2.84Å
80F98.7Very high98.3Very high16 Ų1638.9 Ų38.97%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-143.4138.8-174-59.4-84.3000112.2Y73 C74 V76 I78 V93 L167 K169Y73-F80 CarbonylContact C-O 3.59Å; Y73-F80 WeakPolarHBondContact CA-O 3.5Å; C74-F80 PolarHBondContact N-O 3.01Å; C74-F80 PolarHBondContact O-N 3.38Å; V76-F80 HydrophobicContact CG2-CD2 4.15Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.27Å; V76-F80 WeakPolarHBondContact O-CE2 3.44Å; I78-F80 HydrophobicContact CD1-CE1 4.07Å; I78-F80 HydrophobicContact CD1-CZ 4.08Å; I78-F80 HydrophobicContact CG1-CE1 3.85Å; I78-F80 HydrophobicContact CG1-CE2 4.03Å; I78-F80 HydrophobicContact CG1-CZ 3.48Å; I78-F80 VanDerWaalsContact CG1-CZ 3.48Å; F80-V93 CarbonylContact C-O 3.57Å; F80-V93 WeakPolarHBondContact CA-O 3.4Å; F80-L167 HydrophobicContact CB-CD1 3.86Å; F80-K169 VanDerWaalsContact CE2-O 3.31Å; F80-K169 WeakPolarHBondContact CE2-O 3.37Å
81H98.7Very high98.3Very high4 Ų437.1 Ų37.12%0.01920%0.202CC..EExtended strand (participates in β ladder)trans-88.1136.5163.9-57.790.1000109.6L72 Y73 Q83 G92 V93 H94 E96 R191L72-H81 WeakPolarHBondContact O-CA 3.18Å; Y73-H81 AromaticContact CD2-CD2 3.94Å; Y73-H81 AromaticContact CD2-CE1 3.66Å; Y73-H81 AromaticContact CD2-NE2 3.5Å; Y73-H81 WeakPolarHBondContact CD2-NE2 3.41Å; Y73-H81 AromaticContact CG-NE2 3.98Å; H81-Q83 PolarHBondContact O-N 3.08Å; H81-G92 CarbonylContact O-C 3.59Å; H81-G92 VanDerWaalsContact O-CA 3.26Å; H81-G92 WeakPolarHBondContact O-CA 3.29Å; H81-V93 HydrophobicContact CB-CG1 4.3Å; H81-V93 PolarHBondContact N-O 2.95Å; H81-V93 PolarHBondContact O-N 2.85Å; H81-H94 PolarHBondContact ND1-O 2.77Å; H81-E96 VanDerWaalsContact CE1-CG 3.48Å; H81-E96 WeakPolarHBondContact CE1-CG 3.48Å; H81-E96 IonicContact CE1-OE1 2.75Å; H81-E96 IonicContact NE2-OE1 3.13Å; H81-R191 PolarHBondContact CE1-NH1 2.79Å; H81-R191 PolarHBondContact NE2-NH1 2.96Å
82I98.4Very high98.3Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-59.2134.9165.7-85.9178.1000108.9L72 I90 S100 L102 L165 L167 F188L72-I82 HydrophobicContact CB-CB 4.49Å; L72-I82 PolarHBondContact O-N 2.92Å; I82-I90 HydrophobicContact CG2-CG2 4.29Å; I82-S100 VanDerWaalsContact O-CA 3.29Å; I82-S100 WeakPolarHBondContact O-CA 3.39Å; I82-S100 WeakPolarHBondContact O-CB 3.26Å; I82-L102 HydrophobicContact CG2-CD1 4.04Å; I82-L165 HydrophobicContact CD1-CD2 4.04Å; I82-L167 HydrophobicContact CG1-CD1 3.88Å; I82-L167 HydrophobicContact CG1-CD2 4.29Å; I82-L167 HydrophobicContact CG1-CG 4.18Å; I82-F188 HydrophobicContact CD1-CD1 4.24Å; I82-F188 HydrophobicContact CD1-CE1 3.49Å; I82-F188 VanDerWaalsContact CD1-CE1 3.49Å; I82-F188 HydrophobicContact CD1-CZ 3.73Å; I82-F188 HydrophobicContact CG1-CE1 3.78Å; I82-F188 HydrophobicContact CG1-CZ 4.38Å
83Q98.2Very high98.3Very high22 Ų2238.2 Ų38.210%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-126.3146.116863.1175.1-1.900111H81 L85 I90 T91 V93 N97 Y99H81-Q83 PolarHBondContact O-N 3.08Å; Q83-L85 HydrophobicContact CG-CD2 4.36Å; Q83-I90 WeakPolarHBondContact O-CA 3.5Å; Q83-T91 WeakPolarHBondContact CG-O 3.48Å; Q83-T91 WeakPolarHBondContact CG-OG1 3Å; Q83-T91 PolarHBondContact N-O 2.63Å; Q83-T91 PolarHBondContact NE2-OG1 3.43Å; Q83-T91 PolarHBondContact O-N 3.38Å; Q83-V93 HydrophobicContact CB-CG1 4.12Å; Q83-V93 HydrophobicContact CG-CB 4.31Å; Q83-V93 HydrophobicContact CG-CG1 4.19Å; Q83-N97 PolarHBondContact OE1-ND2 2.84Å; Q83-Y99 VanDerWaalsContact CA-O 3.28Å; Q83-Y99 WeakPolarHBondContact CA-O 3.4Å
84V98.8Very high98.2Very high0 Ų040.6 Ų40.60%023%0.226CC..EExtended strand (participates in β ladder)trans-115.6106177.6-172.90000108I90 Y99 L102 S119 L121 V123V84-I90 HydrophobicContact CG1-CG1 4.44Å; V84-I90 HydrophobicContact CG2-CG1 4.42Å; V84-Y99 PolarHBondContact N-O 2.95Å; V84-L102 HydrophobicContact CG2-CD2 3.86Å; V84-S119 WeakPolarHBondContact CG1-OG 3.46Å; V84-S119 VanDerWaalsContact O-CB 3.25Å; V84-S119 WeakPolarHBondContact O-CB 3.43Å; V84-S119 PolarHBondContact O-OG 3.35Å; V84-L121 HydrophobicContact CG1-CB 3.82Å; V84-V123 HydrophobicContact CG2-CG2 3.65Å
85L98.6Very high98.1Very high25 Ų2544.4 Ų44.413%0.13125%0.253CS..  trans-81.2156.1-175.6-60.9178.7000111.5Q83 D87 G88 R89 Y99 L121Q83-L85 HydrophobicContact CG-CD2 4.36Å; L85-D87 VanDerWaalsContact CB-OD1 3.29Å; L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 3.21Å; L85-G88 PolarHBondContact O-N 2.94Å; L85-R89 WeakPolarHBondContact CB-O 3.45Å; L85-R89 HydrophobicContact CD1-CB 4.25Å; L85-R89 PolarHBondContact N-O 2.99Å; L85-Y99 HydrophobicContact CD2-CD2 4.11Å; L85-Y99 HydrophobicContact CD2-CG 4.13Å; L85-L121 WeakPolarHBondContact O-CD1 3.05Å
86P98.4Very high97.9Very high80 Ų8044 Ų4452%0.51925%0.248SC..THydrogen-bonded Turntrans-61.3-25.3-180-24.835.8000114.3G88 Y99P86-G88 PolarHBondContact O-N 3.44Å; P86-Y99 VanDerWaalsContact CD-CE1 3.47Å; P86-Y99 HydrophobicContact CG-CD1 4.26Å; P86-Y99 HydrophobicContact CG-CE1 3.41Å; P86-Y99 VanDerWaalsContact CG-CE1 3.41Å
87D98.1Very high97.8Very high92 Ų9246 Ų4649%0.49226%0.258SS..THydrogen-bonded Turntrans-79.35.6176.165.39000113.4L85 R89L85-D87 VanDerWaalsContact CB-OD1 3.29Å; L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 3.21Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact OD1-CB 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 WeakPolarHBondContact OD1-CG 3.39Å; D87-R89 PolarHBondContact OD1-N 3.14Å; D87-R89 IonicContact OD1-NE 2.71Å; D87-R89 PolarHBondContact OD1-NE 3.32Å; D87-R89 IonicContact OD2-CZ 3.51Å; D87-R89 IonicContact OD2-NE 3.66Å; D87-R89 PolarHBondContact OD2-NE 2.97Å; D87-R89 IonicContact OD2-NH2 3.63Å; D87-R89 PolarHBondContact OD2-NH2 2.89Å
88G98.3Very high97.8Very high14 Ų1449.3 Ų49.314%0.14425%0.254CS..SBendtrans78.63.6-179.100000114.5L85 P86 G133L85-G88 PolarHBondContact O-N 2.94Å; P86-G88 PolarHBondContact O-N 3.44Å; G88-G133 PolarHBondContact O-N 3.37Å
89R98.5Very high97.9Very high152 Ų15247.1 Ų47.157%0.57424%0.239SC*.  trans-76.6138.4172.1-66.5-174.5-63.8168.1-2.1110.6L85 D87L85-R89 WeakPolarHBondContact CB-O 3.45Å; L85-R89 HydrophobicContact CD1-CB 4.25Å; L85-R89 PolarHBondContact N-O 2.99Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact OD1-CB 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 WeakPolarHBondContact OD1-CG 3.39Å; D87-R89 PolarHBondContact OD1-N 3.14Å; D87-R89 IonicContact OD1-NE 2.71Å; D87-R89 PolarHBondContact OD1-NE 3.32Å; D87-R89 IonicContact OD2-CZ 3.51Å; D87-R89 IonicContact OD2-NE 3.66Å; D87-R89 PolarHBondContact OD2-NE 2.97Å; D87-R89 IonicContact OD2-NH2 3.63Å; D87-R89 PolarHBondContact OD2-NH2 2.89Å
90I98.7Very high97.9Very high7 Ų747.1 Ų47.14%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-108.8129.4171.1-60-175.9000107.8I82 Q83 V84 V123 L131 Y132 T173I82-I90 HydrophobicContact CG2-CG2 4.29Å; Q83-I90 WeakPolarHBondContact O-CA 3.5Å; V84-I90 HydrophobicContact CG1-CG1 4.44Å; V84-I90 HydrophobicContact CG2-CG1 4.42Å; I90-V123 HydrophobicContact CD1-CB 4.08Å; I90-V123 HydrophobicContact CD1-CG1 3.74Å; I90-V123 HydrophobicContact CD1-CG2 4Å; I90-L131 HydrophobicContact CB-CB 4.34Å; I90-L131 HydrophobicContact CD1-CB 4.22Å; I90-L131 HydrophobicContact CG2-CD1 4.49Å; I90-Y132 VanDerWaalsContact CD1-C 3.4Å; I90-Y132 VanDerWaalsContact CD1-O 3.29Å; I90-Y132 WeakPolarHBondContact CD1-O 3.48Å; I90-T173 HydrophobicContact CB-CG2 4.13Å; I90-T173 HydrophobicContact CG2-CG2 3.86Å; I90-T173 WeakPolarHBondContact O-CG2 3.47Å
91T98.5Very high97.8Very high36 Ų3646.7 Ų46.722%0.22124%0.237CC..EExtended strand (participates in β ladder)trans-146.5174.2178.954.50000109.9Q83Q83-T91 WeakPolarHBondContact CG-O 3.48Å; Q83-T91 WeakPolarHBondContact CG-OG1 3Å; Q83-T91 PolarHBondContact N-O 2.63Å; Q83-T91 PolarHBondContact NE2-OG1 3.43Å; Q83-T91 PolarHBondContact O-N 3.38Å
92G98.4Very high97.8Very high13 Ų1346.5 Ų46.513%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-98.9138.7169.700000110.8H81 G171H81-G92 CarbonylContact O-C 3.59Å; H81-G92 VanDerWaalsContact O-CA 3.26Å; H81-G92 WeakPolarHBondContact O-CA 3.29Å; G92-G171 WeakPolarHBondContact CA-O 3.24Å; G92-G171 PolarHBondContact N-O 2.95Å
93V98.2Very high97.8Very high31 Ų3149 Ų4919%0.18825%0.248CC..EExtended strand (participates in β ladder)trans-122.6137.1172.164.10000109.6F80 H81 Q83 S95F80-V93 CarbonylContact C-O 3.57Å; F80-V93 WeakPolarHBondContact CA-O 3.4Å; H81-V93 HydrophobicContact CB-CG1 4.3Å; H81-V93 PolarHBondContact N-O 2.95Å; H81-V93 PolarHBondContact O-N 2.85Å; Q83-V93 HydrophobicContact CB-CG1 4.12Å; Q83-V93 HydrophobicContact CG-CB 4.31Å; Q83-V93 HydrophobicContact CG-CG1 4.19Å; V93-S95 WeakPolarHBondContact CG1-O 3.47Å; V93-S95 VanDerWaalsContact CG2-O 3.27Å; V93-S95 WeakPolarHBondContact CG2-O 3.42Å
94H97.6Very high97.8Very high94 Ų9448 Ų4844%0.43524%0.243SC..SBendtrans-68.8-60.6-178.8-179.862.1000110.9I78 G79 H81I78-H94 HydrophobicContact CD1-CB 3.82Å; I78-H94 HydrophobicContact CG1-CB 4.38Å; I78-H94 PolarHBondContact O-CE1 3.31Å; I78-H94 PolarHBondContact O-ND1 3.37Å; G79-H94 PolarHBondContact O-ND1 2.84Å; H81-H94 PolarHBondContact ND1-O 2.77Å
95S95.9Very high97.7Very high81 Ų8148.6 Ų48.657%0.56625%0.247SC*.SBendtrans-76.2139.3175.3-51.40000111.2V93V93-S95 WeakPolarHBondContact CG1-O 3.47Å; V93-S95 VanDerWaalsContact CG2-O 3.27Å; V93-S95 WeakPolarHBondContact CG2-O 3.42Å
96E94.3Very high97.6Very high83 Ų8348.8 Ų48.839%0.38825%0.25SC..  trans-60.6143.9174.9-62176.6-162.600110.8R71 H81 R191R71-E96 WeakPolarHBondContact CD-OE2 3.31Å; R71-E96 IonicContact CZ-OE2 3.77Å; R71-E96 IonicContact NE-OE2 3.46Å; R71-E96 IonicContact NH1-OE2 3.32Å; H81-E96 VanDerWaalsContact CE1-CG 3.48Å; H81-E96 WeakPolarHBondContact CE1-CG 3.48Å; H81-E96 IonicContact CE1-OE1 2.75Å; H81-E96 IonicContact NE2-OE1 3.13Å; E96-R191 IonicContact OE1-CZ 3.73Å; E96-R191 IonicContact OE1-NH1 2.88Å; E96-R191 PolarHBondContact OE1-NH1 2.48Å; E96-R191 IonicContact OE1-NH2 3.91Å
97N95.2Very high97.4Very high49 Ų4946.5 Ų46.526%0.26223%0.234SC..  trans-147.5-177.7176.768.826.2000110.3Q83 Y99 S100Q83-N97 PolarHBondContact OE1-ND2 2.84Å; N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.29Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; N97-S100 PolarHBondContact N-OG 2.81Å; N97-S100 PolarHBondContact O-N 3.03Å; N97-S100 PolarHBondContact O-OG 3.21Å; N97-S100 PolarHBondContact OD1-N 2.86Å
98R96.9Very high97.1Very high125 Ų12546.6 Ų46.647%0.47223%0.232SC..G310 helixtrans-65.5-29.2-179.2-62.8-171.1-69.8177.71.5113.3E38 H118E38-R98 IonicContact OE1-CZ 2.63Å; E38-R98 IonicContact OE1-NH1 3.66Å; E38-R98 PolarHBondContact OE1-NH1 3.32Å; R98-H118 HydrophobicContact CB-CB 4.38Å; R98-H118 VanDerWaalsContact O-CB 3.29Å; R98-H118 WeakPolarHBondContact O-CB 3.29Å
99Y98.4Very high96.7Very high65 Ų6557.5 Ų57.526%0.25527%0.269SS..G310 helixtrans-83.9-10.1-179.7-58.9-68.2000113.9Q83 V84 L85 P86 N97 H118Q83-Y99 VanDerWaalsContact CA-O 3.28Å; Q83-Y99 WeakPolarHBondContact CA-O 3.4Å; V84-Y99 PolarHBondContact N-O 2.95Å; L85-Y99 HydrophobicContact CD2-CD2 4.11Å; L85-Y99 HydrophobicContact CD2-CG 4.13Å; P86-Y99 VanDerWaalsContact CD-CE1 3.47Å; P86-Y99 HydrophobicContact CG-CD1 4.26Å; P86-Y99 HydrophobicContact CG-CE1 3.41Å; P86-Y99 VanDerWaalsContact CG-CE1 3.41Å; N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.29Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; Y99-H118 HydrophobicContact CD1-CB 4.22Å; Y99-H118 AromaticContact CD1-CD2 3.58Å; Y99-H118 HydrophobicContact CE1-CB 4.49Å; Y99-H118 AromaticContact CE1-CD2 3.14Å; Y99-H118 WeakPolarHBondContact CE1-CD2 3.37Å; Y99-H118 AromaticContact CE1-NE2 3.89Å; Y99-H118 AromaticContact CZ-CD2 3.56Å; Y99-H118 AromaticContact CZ-NE2 3.94Å
100S98.3Very high96.5Very high0 Ų052.4 Ų52.40%026%0.263CS..G310 helixtrans-90.4-7.1177.672.20000114.3R71 I82 N97R71-S100 WeakPolarHBondContact CG-O 3.48Å; R71-S100 PolarHBondContact NE-OG 2.8Å; I82-S100 VanDerWaalsContact O-CA 3.29Å; I82-S100 WeakPolarHBondContact O-CA 3.39Å; I82-S100 WeakPolarHBondContact O-CB 3.26Å; N97-S100 PolarHBondContact N-OG 2.81Å; N97-S100 PolarHBondContact O-N 3.03Å; N97-S100 PolarHBondContact O-OG 3.21Å; N97-S100 PolarHBondContact OD1-N 2.86Å
101L98.5Very high96.4Very high8 Ų852.4 Ų52.44%0.04226%0.264CS..  trans-79.7121175.2-171.166.2000110.5L69 R71 V117L69-L101 HydrophobicContact CB-CD1 4.4Å; R71-L101 HydrophobicContact CG-CD1 4.45Å; L101-V117 HydrophobicContact CD2-CB 4.36Å; L101-V117 HydrophobicContact CD2-CG1 4.45Å; L101-V117 HydrophobicContact CD2-CG2 4.29Å; L101-V117 HydrophobicContact CG-CB 4.42Å; L101-V117 HydrophobicContact CG-CG2 4.07Å; L101-V117 PolarHBondContact O-N 2.82Å
102L98.6Very high96.4Very high0 Ų050.9 Ų50.90%025%0.254CS..EExtended strand (participates in β ladder)trans-115.6138.5-179.8-54179.8000110.8L69 R70 L72 I82 V84 L115L69-L102 CarbonylContact C-O 3.53Å; L69-L102 WeakPolarHBondContact CA-O 3.39Å; R70-L102 PolarHBondContact N-O 3.32Å; R70-L102 WeakPolarHBondContact O-CA 3.38Å; R70-L102 WeakPolarHBondContact O-CB 3.24Å; R70-L102 PolarHBondContact O-N 2.86Å; R70-L102 VanDerWaalsContact O-O 3.11Å; L72-L102 HydrophobicContact CB-CD1 4.42Å; L72-L102 HydrophobicContact CD1-CD1 3.83Å; L72-L102 HydrophobicContact CG-CD1 3.92Å; I82-L102 HydrophobicContact CG2-CD1 4.04Å; V84-L102 HydrophobicContact CG2-CD2 3.86Å; L102-L115 CarbonylContact C-O 3.53Å; L102-L115 VanDerWaalsContact CA-O 3.24Å; L102-L115 WeakPolarHBondContact CA-O 3.32Å
103Q98.3Very high96.4Very high53 Ų5350.5 Ų50.525%0.24825%0.25CC..EExtended strand (participates in β ladder)trans-89.2111.1161.2-175.3-174.4-66.200108.8K67 R68 L69 S105 L115 V117K67-Q103 HydrophobicContact CB-CG 4.42Å; R68-Q103 WeakPolarHBondContact O-CA 3.29Å; L69-Q103 HydrophobicContact CD2-CB 3.83Å; L69-Q103 HydrophobicContact CD2-CG 4.18Å; Q103-S105 PolarHBondContact NE2-OG 2.69Å; Q103-L115 HydrophobicContact CB-CB 4.3Å; Q103-L115 PolarHBondContact N-O 2.8Å; Q103-L115 PolarHBondContact O-N 3.36Å; Q103-V117 HydrophobicContact CB-CG2 4.09Å
104I97.8Very high96.4Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-88.5111.7172.6-47.4-175.6000107.5K67 R68 R70 L72 V112 T113 L114K67-I104 WeakPolarHBondContact CA-O 3.28Å; R68-I104 HydrophobicContact CB-CB 4.37Å; R68-I104 PolarHBondContact N-O 3.32Å; R68-I104 PolarHBondContact O-N 3.24Å; R70-I104 HydrophobicContact CB-CD1 3.99Å; R70-I104 HydrophobicContact CG-CD1 4.35Å; L72-I104 HydrophobicContact CD2-CD1 4.05Å; I104-V112 HydrophobicContact CG2-CB 3.76Å; I104-V112 HydrophobicContact CG2-CG1 3.86Å; I104-V112 HydrophobicContact CG2-CG2 4.01Å; I104-T113 WeakPolarHBondContact CA-O 3.4Å; I104-L114 HydrophobicContact CB-CD2 4.2Å; I104-L114 HydrophobicContact CD1-CD2 4.13Å; I104-L114 HydrophobicContact CG1-CD2 3.69Å; I104-L114 HydrophobicContact CG2-CD2 3.92Å
105S96.5Very high96.5Very high13 Ų1346.1 Ų46.19%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-114.9121.9-179.3-45.60000109.2Q103 V112 T113Q103-S105 PolarHBondContact NE2-OG 2.69Å; S105-V112 CarbonylContact O-C 3.55Å; S105-V112 WeakPolarHBondContact O-CA 3.31Å; S105-T113 WeakPolarHBondContact CB-OG1 3.49Å; S105-T113 PolarHBondContact N-O 2.76Å; S105-T113 PolarHBondContact O-N 2.85Å; S105-T113 PolarHBondContact O-OG1 2.84Å
106P95.6Very high96.6Very high28 Ų2842.3 Ų42.318%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-69.5144.1174.1-0.417.6000109.4L64 V111L64-P106 WeakPolarHBondContact O-CB 3.5Å; L64-P106 WeakPolarHBondContact O-CD 3.18Å; L64-P106 WeakPolarHBondContact O-CG 3.5Å; P106-V111 WeakPolarHBondContact CA-O 3.38Å
107V94Very high96.8Very high32 Ų3240.8 Ų40.819%0.19420%0.198CC..EExtended strand (participates in β ladder)trans-123.9-28.3179-66.10000111.9L64 V111 T113 K142L64-V107 WeakPolarHBondContact CD2-O 3.47Å; V107-V111 HydrophobicContact CG2-CB 4.03Å; V107-V111 HydrophobicContact CG2-CG1 3.68Å; V107-V111 PolarHBondContact N-O 3.25Å; V107-T113 HydrophobicContact CG1-CG2 3.7Å; V107-K142 HydrophobicContact CG2-CD 4.47Å; V107-K142 HydrophobicContact CG2-CG 4.29Å
108E92.7Very high96.9Very high94 Ų9442.5 Ų42.544%0.43920%0.204SC..EExtended strand (participates in β ladder)trans-149.5170.9174.2-58163.5-154.600107.3G110 V111 K142E108-G110 PolarHBondContact O-N 2.85Å; E108-V111 HydrophobicContact CB-CB 3.98Å; E108-V111 HydrophobicContact CB-CG2 4.04Å; E108-V111 PolarHBondContact N-O 3.31Å; E108-V111 PolarHBondContact O-N 3.26Å; E108-V111 VanDerWaalsContact O-O 3.08Å; E108-K142 IonicContact OE1-NZ 2.75Å; E108-K142 PolarHBondContact OE1-NZ 3.4Å
109R90.8Very high97Very high243 Ų24337.7 Ų37.792%0.91719%0.19SC*.THydrogen-bonded Turntrans-56.1113.2178.8-175.8178.1177.9174.2-0.2111.3V111R109-V111 PolarHBondContact O-N 2.97Å
110G93.3Very high97Very high45 Ų4536.4 Ų36.446%0.46420%0.196SC..THydrogen-bonded Turntrans72.17-179.200000114.8E108 R144 E145E108-G110 PolarHBondContact O-N 2.85Å; G110-R144 CarbonylContact O-C 3.54Å; G110-R144 WeakPolarHBondContact O-CA 3.39Å; G110-E145 PolarHBondContact O-N 2.51Å
111V97.3Very high97Very high8 Ų837.1 Ų37.15%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-111.7130.6176.4-172.10000109.1P106 V107 E108 R109 K142 F143 R144 A158P106-V111 WeakPolarHBondContact CA-O 3.38Å; V107-V111 HydrophobicContact CG2-CB 4.03Å; V107-V111 HydrophobicContact CG2-CG1 3.68Å; V107-V111 PolarHBondContact N-O 3.25Å; E108-V111 HydrophobicContact CB-CB 3.98Å; E108-V111 HydrophobicContact CB-CG2 4.04Å; E108-V111 PolarHBondContact N-O 3.31Å; E108-V111 PolarHBondContact O-N 3.26Å; E108-V111 VanDerWaalsContact O-O 3.08Å; R109-V111 PolarHBondContact O-N 2.97Å; V111-K142 HydrophobicContact CG1-CB 3.88Å; V111-K142 HydrophobicContact CG1-CG 4.42Å; V111-F143 CarbonylContact C-O 3.51Å; V111-F143 WeakPolarHBondContact CA-O 3.18Å; V111-R144 HydrophobicContact CG2-CG 4.05Å; V111-A158 HydrophobicContact CG1-CB 4.45Å
112V97.9Very high97.1Very high3 Ų338.6 Ų38.62%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-126.2156.5-178-58.40000111.2I104 S105 L114 F143 E145 Y155I104-V112 HydrophobicContact CG2-CB 3.76Å; I104-V112 HydrophobicContact CG2-CG1 3.86Å; I104-V112 HydrophobicContact CG2-CG2 4.01Å; S105-V112 CarbonylContact O-C 3.55Å; S105-V112 WeakPolarHBondContact O-CA 3.31Å; V112-L114 HydrophobicContact CG2-CD2 4.28Å; V112-F143 PolarHBondContact N-O 2.82Å; V112-F143 PolarHBondContact O-N 3.31Å; V112-E145 HydrophobicContact CG1-CB 4.39Å; V112-E145 HydrophobicContact CG2-CB 4.27Å; V112-Y155 HydrophobicContact CG2-CD1 4.1Å; V112-Y155 HydrophobicContact CG2-CE1 4Å
113T98.6Very high97.1Very high5 Ų538.6 Ų38.63%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-101.1153.1157.555.70000109.3I104 S105 V107 Y137I104-T113 WeakPolarHBondContact CA-O 3.4Å; S105-T113 WeakPolarHBondContact CB-OG1 3.49Å; S105-T113 PolarHBondContact N-O 2.76Å; S105-T113 PolarHBondContact O-N 2.85Å; S105-T113 PolarHBondContact O-OG1 2.84Å; V107-T113 HydrophobicContact CG1-CG2 3.7Å; T113-Y137 HydrophobicContact CG2-CD2 4.08Å; T113-Y137 HydrophobicContact CG2-CE2 3.59Å
114L98.8Very high97.1Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-121.8106.8175.7-57.4172.2000107.6L72 I104 V112 F122 V123 F143 Y155 L165L72-L114 HydrophobicContact CD1-CD1 3.88Å; L72-L114 HydrophobicContact CD1-CD2 4.07Å; I104-L114 HydrophobicContact CB-CD2 4.2Å; I104-L114 HydrophobicContact CD1-CD2 4.13Å; I104-L114 HydrophobicContact CG1-CD2 3.69Å; I104-L114 HydrophobicContact CG2-CD2 3.92Å; V112-L114 HydrophobicContact CG2-CD2 4.28Å; L114-F122 CarbonylContact O-C 3.49Å; L114-F122 WeakPolarHBondContact O-CA 3.34Å; L114-V123 HydrophobicContact CB-CB 3.96Å; L114-V123 HydrophobicContact CB-CG2 3.86Å; L114-V123 HydrophobicContact CD1-CB 4.49Å; L114-V123 PolarHBondContact O-N 3.38Å; L114-F143 HydrophobicContact CD1-CD2 4.26Å; L114-F143 HydrophobicContact CG-CD2 4.45Å; L114-Y155 HydrophobicContact CD1-CD1 4.36Å; L114-Y155 HydrophobicContact CD2-CE1 4.31Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å
115L98.8Very high97.1Very high34 Ų3436.1 Ų36.118%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-102.9123.7179.9176.666.5000109.8L102 Q103 V117 F122L102-L115 CarbonylContact C-O 3.53Å; L102-L115 VanDerWaalsContact CA-O 3.24Å; L102-L115 WeakPolarHBondContact CA-O 3.32Å; Q103-L115 HydrophobicContact CB-CB 4.3Å; Q103-L115 PolarHBondContact N-O 2.8Å; Q103-L115 PolarHBondContact O-N 3.36Å; L115-V117 PolarHBondContact O-N 2.97Å; L115-F122 HydrophobicContact CB-CD1 4.15Å; L115-F122 HydrophobicContact CB-CE1 4.11Å; L115-F122 HydrophobicContact CD1-CD1 4.09Å; L115-F122 HydrophobicContact CD1-CD2 4.2Å; L115-F122 HydrophobicContact CD1-CE1 4.09Å; L115-F122 HydrophobicContact CD1-CE2 4.19Å; L115-F122 HydrophobicContact CD1-CG 4.15Å; L115-F122 HydrophobicContact CD1-CZ 4.14Å
116G98.6Very high97.2Very high1 Ų137.3 Ų37.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-67.1111.6169.100000109.9H118 S119 G120 L121G116-H118 VanDerWaalsContact C-N 3.33Å; G116-H118 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-N 2.81Å; G116-G120 WeakPolarHBondContact O-CA 3.49Å; G116-G120 PolarHBondContact O-N 3.32Å; G116-L121 PolarHBondContact N-O 2.92Å
117V98.1Very high97.4Very high51 Ų5145.3 Ų45.331%0.30923%0.227SC..THydrogen-bonded Turntrans-61-45.3-171.81760000111L69 L101 Q103 L115L69-V117 HydrophobicContact CD2-CG2 3.78Å; L101-V117 HydrophobicContact CD2-CB 4.36Å; L101-V117 HydrophobicContact CD2-CG1 4.45Å; L101-V117 HydrophobicContact CD2-CG2 4.29Å; L101-V117 HydrophobicContact CG-CB 4.42Å; L101-V117 HydrophobicContact CG-CG2 4.07Å; L101-V117 PolarHBondContact O-N 2.82Å; Q103-V117 HydrophobicContact CB-CG2 4.09Å; L115-V117 PolarHBondContact O-N 2.97Å
118H98.1Very high97.6Very high85 Ų8553.2 Ų53.239%0.39425%0.253SS..THydrogen-bonded Turntrans-80.4-34.2-175.7-168.647.1000113.4R98 Y99 G116R98-H118 HydrophobicContact CB-CB 4.38Å; R98-H118 VanDerWaalsContact O-CB 3.29Å; R98-H118 WeakPolarHBondContact O-CB 3.29Å; Y99-H118 HydrophobicContact CD1-CB 4.22Å; Y99-H118 AromaticContact CD1-CD2 3.58Å; Y99-H118 HydrophobicContact CE1-CB 4.49Å; Y99-H118 AromaticContact CE1-CD2 3.14Å; Y99-H118 WeakPolarHBondContact CE1-CD2 3.37Å; Y99-H118 AromaticContact CE1-NE2 3.89Å; Y99-H118 AromaticContact CZ-CD2 3.56Å; Y99-H118 AromaticContact CZ-NE2 3.94Å; G116-H118 VanDerWaalsContact C-N 3.33Å; G116-H118 PolarHBondContact O-N 2.9Å
119S98.4Very high97.9Very high23 Ų2348.7 Ų48.716%0.16123%0.232CC..THydrogen-bonded Turntrans-83.6-19.4178.148.30000113.6V84 G116 L121V84-S119 WeakPolarHBondContact CG1-OG 3.46Å; V84-S119 VanDerWaalsContact O-CB 3.25Å; V84-S119 WeakPolarHBondContact O-CB 3.43Å; V84-S119 PolarHBondContact O-OG 3.35Å; G116-S119 PolarHBondContact O-N 2.81Å; S119-L121 PolarHBondContact O-N 3.19Å
120G98.3Very high98.3Very high38 Ų3842.1 Ų42.139%0.39221%0.21SC..  trans69.511.7-174.300000114G116G116-G120 WeakPolarHBondContact O-CA 3.49Å; G116-G120 PolarHBondContact O-N 3.32Å
121L98.9Very high98.5Very high16 Ų1640.2 Ų40.28%0.08419%0.189CC..  trans-104.1135.4-175.7-58.1-179.3000111.5V84 L85 G116 S119 S134 L135V84-L121 HydrophobicContact CG1-CB 3.82Å; L85-L121 WeakPolarHBondContact O-CD1 3.05Å; G116-L121 PolarHBondContact N-O 2.92Å; S119-L121 PolarHBondContact O-N 3.19Å; L121-S134 CarbonylContact C-O 3.52Å; L121-S134 WeakPolarHBondContact CA-O 3.35Å; L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CD2-CD1 4.07Å
122F98.9Very high98.6Very high39 Ų3942.8 Ų42.817%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-71.9137.3169.3-68.7-81.7000110.3L114 L115 A124 G133 S134 C141L114-F122 CarbonylContact O-C 3.49Å; L114-F122 WeakPolarHBondContact O-CA 3.34Å; L115-F122 HydrophobicContact CB-CD1 4.15Å; L115-F122 HydrophobicContact CB-CE1 4.11Å; L115-F122 HydrophobicContact CD1-CD1 4.09Å; L115-F122 HydrophobicContact CD1-CD2 4.2Å; L115-F122 HydrophobicContact CD1-CE1 4.09Å; L115-F122 HydrophobicContact CD1-CE2 4.19Å; L115-F122 HydrophobicContact CD1-CG 4.15Å; L115-F122 HydrophobicContact CD1-CZ 4.14Å; F122-A124 PolarHBondContact O-N 3.06Å; F122-G133 CarbonylContact O-C 3.4Å; F122-G133 VanDerWaalsContact O-CA 3.31Å; F122-G133 WeakPolarHBondContact O-CA 3.47Å; F122-S134 PolarHBondContact N-O 3.21Å; F122-S134 PolarHBondContact O-N 2.71Å; F122-C141 HydrophobicContact CB-CB 4.12Å; F122-C141 HydrophobicContact CG-CB 4.49Å
123V98.9Very high98.6Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-63.5128.5160.2178.10000107.6V84 I90 L114 L131 C141 F143 L165V84-V123 HydrophobicContact CG2-CG2 3.65Å; I90-V123 HydrophobicContact CD1-CB 4.08Å; I90-V123 HydrophobicContact CD1-CG1 3.74Å; I90-V123 HydrophobicContact CD1-CG2 4Å; L114-V123 HydrophobicContact CB-CB 3.96Å; L114-V123 HydrophobicContact CB-CG2 3.86Å; L114-V123 HydrophobicContact CD1-CB 4.49Å; L114-V123 PolarHBondContact O-N 3.38Å; V123-L131 HydrophobicContact CG1-CD2 4.47Å; V123-C141 WeakPolarHBondContact O-CA 3.34Å; V123-F143 HydrophobicContact CB-CE2 4.28Å; V123-F143 HydrophobicContact CG1-CE2 3.99Å; V123-F143 HydrophobicContact CG1-CZ 4.01Å; V123-F143 VanDerWaalsContact O-CE2 3.29Å; V123-F143 WeakPolarHBondContact O-CE2 3.48Å; V123-L165 HydrophobicContact CG1-CD2 4.37Å
124A98.8Very high98.6Very high0 Ų043.9 Ų43.90%021%0.209CC..EExtended strand (participates in β ladder)trans-134.2155.7176.400000110.7F122 L131 Y132 E140F122-A124 PolarHBondContact O-N 3.06Å; A124-L131 WeakPolarHBondContact O-CA 3.49Å; A124-Y132 HydrophobicContact CB-CD1 4.09Å; A124-Y132 HydrophobicContact CB-CD2 4.34Å; A124-Y132 HydrophobicContact CB-CE1 3.59Å; A124-Y132 HydrophobicContact CB-CE2 3.86Å; A124-Y132 HydrophobicContact CB-CG 4.44Å; A124-Y132 VanDerWaalsContact CB-CZ 3.46Å; A124-Y132 PolarHBondContact N-O 3.25Å; A124-Y132 PolarHBondContact O-N 3.41Å; A124-E140 VanDerWaalsContact CA-O 3.29Å; A124-E140 WeakPolarHBondContact CA-O 3.29Å; A124-E140 HydrophobicContact CB-CB 4.3Å
125M98.9Very high98.6Very high0 Ų049.6 Ų49.60%024%0.238CC..EExtended strand (participates in β ladder)trans-129123175.5-171.7-174.2-63.800111K130 L131 E140 F143 Y160 M163 F164 L165M125-K130 WeakPolarHBondContact CA-O 3.46Å; M125-L131 HydrophobicContact CB-CD2 3.92Å; M125-L131 HydrophobicContact CE-CD2 3.58Å; M125-L131 HydrophobicContact CG-CD2 4.12Å; M125-E140 PolarHBondContact N-O 2.98Å; M125-E140 WeakPolarHBondContact O-CB 3.42Å; M125-F143 HydrophobicContact CB-CE1 3.98Å; M125-F143 HydrophobicContact CB-CZ 4.23Å; M125-F143 HydrophobicContact CE-CE1 4.35Å; M125-Y160 WeakPolarHBondContact O-CD2 3.14Å; M125-Y160 VanDerWaalsContact O-CE2 3.28Å; M125-Y160 WeakPolarHBondContact O-CE2 3.48Å; M125-M163 HydrophobicContact SD-CB 3.54Å; M125-M163 VanDerWaalsContact SD-CB 3.54Å; M125-M163 HydrophobicContact SD-SD 4.39Å; M125-F164 VanDerWaalsContact CE-C 3.46Å; M125-F164 WeakPolarHBondContact CE-O 3.44Å; M125-L165 HydrophobicContact CE-CD1 3.93Å
126N98.7Very high98.5Very high39 Ų3954.5 Ų54.521%0.20926%0.26CS..  trans-82.8169.7178.472.720.7000113.7R128 G129 K130 Y132 E140N126-R128 PolarHBondContact O-N 3.33Å; N126-R128 WeakPolarHBondContact OD1-CA 3.5Å; N126-R128 WeakPolarHBondContact OD1-CB 3.37Å; N126-R128 PolarHBondContact OD1-N 3.45Å; N126-G129 WeakPolarHBondContact O-CA 3.28Å; N126-G129 PolarHBondContact O-N 3.38Å; N126-G129 PolarHBondContact OD1-N 2.88Å; N126-K130 PolarHBondContact N-O 3.49Å; N126-K130 WeakPolarHBondContact ND2-CB 3.25Å; N126-K130 WeakPolarHBondContact OD1-CB 3.29Å; N126-K130 PolarHBondContact OD1-N 3.01Å; N126-Y132 HydrophobicContact CB-CD1 4.44Å; N126-Y132 HydrophobicContact CB-CE1 3.95Å; N126-E140 VanDerWaalsContact CA-OE1 3.31Å; N126-E140 WeakPolarHBondContact CA-OE1 3.28Å
127R98.6Very high98.4Very high196 Ų19660 Ų6074%0.7428%0.281SS*.THydrogen-bonded Turntrans-54-23.2178.3-165.6175.4-176.3-130.71114.9G129 Y160R127-G129 VanDerWaalsContact C-N 3.26Å; R127-Y160 VanDerWaalsContact CA-CZ 3.48Å; R127-Y160 HydrophobicContact CB-CD1 4.36Å; R127-Y160 HydrophobicContact CB-CE1 3.7Å; R127-Y160 HydrophobicContact CB-CE2 4.19Å; R127-Y160 HydrophobicContact CG-CD1 4.17Å; R127-Y160 HydrophobicContact CG-CE1 3.7Å
128R98.5Very high98.4Very high197 Ų19759.5 Ų59.574%0.74328%0.28SS*.THydrogen-bonded Turntrans-8911.6175.7-58-175.8-177.5-178.53112.5N126 K130 R175N126-R128 PolarHBondContact O-N 3.33Å; N126-R128 WeakPolarHBondContact OD1-CA 3.5Å; N126-R128 WeakPolarHBondContact OD1-CB 3.37Å; N126-R128 PolarHBondContact OD1-N 3.45Å; R128-K130 PolarHBondContact O-N 2.92Å; R128-R175 WeakPolarHBondContact O-CD 3.46Å; R128-R175 PolarHBondContact O-NH1 2.7Å
129G98.5Very high98.4Very high0 Ų060.5 Ų60.50%029%0.288CS..  trans64.419.6-175.700000114.4N126 R127 R175 G176N126-G129 WeakPolarHBondContact O-CA 3.28Å; N126-G129 PolarHBondContact O-N 3.38Å; N126-G129 PolarHBondContact OD1-N 2.88Å; R127-G129 VanDerWaalsContact C-N 3.26Å; G129-R175 CarbonylContact O-C 3.5Å; G129-R175 VanDerWaalsContact O-CA 3.31Å; G129-R175 WeakPolarHBondContact O-CA 3.46Å; G129-G176 PolarHBondContact O-N 3.18Å
130K98.6Very high98.4Very high104 Ų10461.2 Ų61.245%0.45229%0.289SS..  trans-80.7129.9175.2-157.4-173.5167.4-173.40109M125 N126 R128 R175M125-K130 WeakPolarHBondContact CA-O 3.46Å; N126-K130 PolarHBondContact N-O 3.49Å; N126-K130 WeakPolarHBondContact ND2-CB 3.25Å; N126-K130 WeakPolarHBondContact OD1-CB 3.29Å; N126-K130 PolarHBondContact OD1-N 3.01Å; R128-K130 PolarHBondContact O-N 2.92Å; K130-R175 VanDerWaalsContact CB-NH1 3.33Å
131L98.8Very high98.4Very high6 Ų659.4 Ų59.43%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-78.1139.9165.6-64.1-178.7000110.6I90 V123 A124 M125 L165 T173I90-L131 HydrophobicContact CB-CB 4.34Å; I90-L131 HydrophobicContact CD1-CB 4.22Å; I90-L131 HydrophobicContact CG2-CD1 4.49Å; V123-L131 HydrophobicContact CG1-CD2 4.47Å; A124-L131 WeakPolarHBondContact O-CA 3.49Å; M125-L131 HydrophobicContact CB-CD2 3.92Å; M125-L131 HydrophobicContact CE-CD2 3.58Å; M125-L131 HydrophobicContact CG-CD2 4.12Å; L131-L165 HydrophobicContact CD1-CG 4.12Å; L131-L165 HydrophobicContact CD2-CD1 3.99Å; L131-L165 HydrophobicContact CD2-CG 4.1Å; L131-T173 HydrophobicContact CB-CG2 4.17Å; L131-T173 HydrophobicContact CD1-CG2 3.89Å
132Y98.9Very high98.4Very high62 Ų6260.1 Ų60.124%0.24327%0.273CS..EExtended strand (participates in β ladder)trans-154.3156.8175.570.2-79.4000110.6I90 A124 N126 E140I90-Y132 VanDerWaalsContact CD1-C 3.4Å; I90-Y132 VanDerWaalsContact CD1-O 3.29Å; I90-Y132 WeakPolarHBondContact CD1-O 3.48Å; A124-Y132 HydrophobicContact CB-CD1 4.09Å; A124-Y132 HydrophobicContact CB-CD2 4.34Å; A124-Y132 HydrophobicContact CB-CE1 3.59Å; A124-Y132 HydrophobicContact CB-CE2 3.86Å; A124-Y132 HydrophobicContact CB-CG 4.44Å; A124-Y132 VanDerWaalsContact CB-CZ 3.46Å; A124-Y132 PolarHBondContact N-O 3.25Å; A124-Y132 PolarHBondContact O-N 3.41Å; N126-Y132 HydrophobicContact CB-CD1 4.44Å; N126-Y132 HydrophobicContact CB-CE1 3.95Å; Y132-E140 VanDerWaalsContact CE1-OE2 3.29Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.02Å
133G98.8Very high98.4Very high14 Ų1458.2 Ų58.214%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-83.1124.9170.800000110.4G88 F122G88-G133 PolarHBondContact O-N 3.37Å; F122-G133 CarbonylContact O-C 3.4Å; F122-G133 VanDerWaalsContact O-CA 3.31Å; F122-G133 WeakPolarHBondContact O-CA 3.47Å
134S98.6Very high98.4Very high17 Ų1763.2 Ų63.212%0.11928%0.284CS..EExtended strand (participates in β ladder)trans-108.8131.9176.7-173.90000110.7L121 F122 H136L121-S134 CarbonylContact C-O 3.52Å; L121-S134 WeakPolarHBondContact CA-O 3.35Å; F122-S134 PolarHBondContact N-O 3.21Å; F122-S134 PolarHBondContact O-N 2.71Å; S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact OG-N 3.36Å; S134-H136 PolarHBondContact OG-O 3Å
135L98.1Very high98.3Very high120 Ų12065.3 Ų65.363%0.62829%0.293SS*.SBendtrans-71.1-31.8171.7-175.763.9000111.6L121L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CD2-CD1 4.07Å
136H96.3Very high98.3Very high137 Ų13769.6 Ų69.663%0.63431%0.312SS*.SBendtrans-106.2136.9-176.3-57.6-60.9000111.1S134S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact OG-N 3.36Å; S134-H136 PolarHBondContact OG-O 3Å
137Y96.9Very high98.2Very high116 Ų11673.6 Ų73.646%0.45533%0.333SS..  trans-65.2136.6171.6172.6-101.5000110.9T113 C141 K142T113-Y137 HydrophobicContact CG2-CD2 4.08Å; T113-Y137 HydrophobicContact CG2-CE2 3.59Å; Y137-C141 HydrophobicContact CD2-CB 4.25Å; Y137-K142 HydrophobicContact CE2-CG 4.45Å; Y137-K142 WeakPolarHBondContact OH-CE 3.29Å
138S97.6Very high98.2Very high40 Ų4065.7 Ų65.728%0.2831%0.305SS..  trans-154.6174.9178750000110.9E140 C141S138-E140 PolarHBondContact O-N 3.31Å; S138-E140 PolarHBondContact OG-N 3.19Å; S138-C141 PolarHBondContact N-SG 2.84Å; S138-C141 VanDerWaalsContact O-CB 3.3Å; S138-C141 WeakPolarHBondContact O-CB 3.29Å; S138-C141 PolarHBondContact O-N 3Å
139N97.9Very high98.1Very high107 Ų10761.6 Ų61.657%0.57231%0.313SS*.G310 helixtrans-59.7-26.5173.7-72.1-32.2000113.1C141 K142 A159N139-C141 PolarHBondContact O-N 3.41Å; N139-K142 PolarHBondContact O-N 2.79Å; N139-A159 HydrophobicContact CB-CB 4.37Å
140E98.7Very high97.9Very high37 Ų3765 Ų6517%0.17333%0.332CS..G310 helixtrans-70.7-13.9175.9-64.3-162.4156.900113.2A124 M125 N126 Y132 S138 Y160A124-E140 VanDerWaalsContact CA-O 3.29Å; A124-E140 WeakPolarHBondContact CA-O 3.29Å; A124-E140 HydrophobicContact CB-CB 4.3Å; M125-E140 PolarHBondContact N-O 2.98Å; M125-E140 WeakPolarHBondContact O-CB 3.42Å; N126-E140 VanDerWaalsContact CA-OE1 3.31Å; N126-E140 WeakPolarHBondContact CA-OE1 3.28Å; Y132-E140 VanDerWaalsContact CE1-OE2 3.29Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.02Å; S138-E140 PolarHBondContact O-N 3.31Å; S138-E140 PolarHBondContact OG-N 3.19Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.21Å; E140-Y160 PolarHBondContact OE1-OH 2.84Å
141C98.8Very high97.7Very high0 Ų065.9 Ų65.90%034%0.341CS..G310 helixtrans-89.3-4178.7-54.90000113.6F122 V123 Y137 S138 N139 F143F122-C141 HydrophobicContact CB-CB 4.12Å; F122-C141 HydrophobicContact CG-CB 4.49Å; V123-C141 WeakPolarHBondContact O-CA 3.34Å; Y137-C141 HydrophobicContact CD2-CB 4.25Å; S138-C141 PolarHBondContact N-SG 2.84Å; S138-C141 VanDerWaalsContact O-CB 3.3Å; S138-C141 WeakPolarHBondContact O-CB 3.29Å; S138-C141 PolarHBondContact O-N 3Å; N139-C141 PolarHBondContact O-N 3.41Å; C141-F143 WeakPolarHBondContact O-CD2 3.42Å; C141-F143 WeakPolarHBondContact O-CE2 3.47Å
142K98.7Very high97.7Very high31 Ų3167.9 Ų67.914%0.13535%0.349CS..  trans-94.6129.6-176.9-67.2-175.7174.6-175.30110.9V107 E108 V111 Y137 N139 A158V107-K142 HydrophobicContact CG2-CD 4.47Å; V107-K142 HydrophobicContact CG2-CG 4.29Å; E108-K142 IonicContact OE1-NZ 2.75Å; E108-K142 PolarHBondContact OE1-NZ 3.4Å; V111-K142 HydrophobicContact CG1-CB 3.88Å; V111-K142 HydrophobicContact CG1-CG 4.42Å; Y137-K142 HydrophobicContact CE2-CG 4.45Å; Y137-K142 WeakPolarHBondContact OH-CE 3.29Å; N139-K142 PolarHBondContact O-N 2.79Å; K142-A158 HydrophobicContact CB-CB 3.7Å; K142-A158 WeakPolarHBondContact O-CB 3.36Å; K142-A158 PolarHBondContact O-N 2.98Å
143F98.8Very high97.7Very high0 Ų065.9 Ų65.90%034%0.342CS..EExtended strand (participates in β ladder)trans-129.1133.7177.4-57.4-80.8000112.2V111 V112 L114 V123 M125 C141 E145 Y155 E156 L165V111-F143 CarbonylContact C-O 3.51Å; V111-F143 WeakPolarHBondContact CA-O 3.18Å; V112-F143 PolarHBondContact N-O 2.82Å; V112-F143 PolarHBondContact O-N 3.31Å; L114-F143 HydrophobicContact CD1-CD2 4.26Å; L114-F143 HydrophobicContact CG-CD2 4.45Å; V123-F143 HydrophobicContact CB-CE2 4.28Å; V123-F143 HydrophobicContact CG1-CE2 3.99Å; V123-F143 HydrophobicContact CG1-CZ 4.01Å; V123-F143 VanDerWaalsContact O-CE2 3.29Å; V123-F143 WeakPolarHBondContact O-CE2 3.48Å; M125-F143 HydrophobicContact CB-CE1 3.98Å; M125-F143 HydrophobicContact CB-CZ 4.23Å; M125-F143 HydrophobicContact CE-CE1 4.35Å; C141-F143 WeakPolarHBondContact O-CD2 3.42Å; C141-F143 WeakPolarHBondContact O-CE2 3.47Å; F143-E145 PolarHBondContact O-N 2.96Å; F143-Y155 HydrophobicContact CB-CD1 4.35Å; F143-E156 CarbonylContact C-O 3.57Å; F143-E156 WeakPolarHBondContact CA-O 3.49Å; F143-L165 HydrophobicContact CD1-CD1 3.35Å; F143-L165 HydrophobicContact CE1-CD1 3.22Å; F143-L165 HydrophobicContact CE2-CD1 4.47Å; F143-L165 HydrophobicContact CG-CD1 4.08Å; F143-L165 HydrophobicContact CZ-CD1 3.83Å
144R98.6Very high97.7Very high105 Ų10565.2 Ų65.240%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-75.6114.5168.4-66.4172.2178.6151.90.1108.9G110 V111 Y155 E156G110-R144 CarbonylContact O-C 3.54Å; G110-R144 WeakPolarHBondContact O-CA 3.39Å; V111-R144 HydrophobicContact CG2-CG 4.05Å; R144-Y155 WeakPolarHBondContact O-CA 3.23Å; R144-E156 HydrophobicContact CB-CB 4.25Å; R144-E156 PolarHBondContact N-O 2.98Å; R144-E156 PolarHBondContact O-N 3.04Å
145E97.7Very high97.7Very high44 Ų4464.4 Ų64.421%0.20633%0.33CS..EExtended strand (participates in β ladder)trans-80.6113.9173.8-176.4178-142.600108.5R68 G110 V112 F143 N153 Y155R68-E145 IonicContact CZ-OE1 3.84Å; R68-E145 IonicContact CZ-OE2 3.71Å; R68-E145 IonicContact NH1-OE1 3.72Å; R68-E145 PolarHBondContact NH1-OE1 3.07Å; R68-E145 IonicContact NH1-OE2 3.41Å; R68-E145 IonicContact NH2-OE1 3.35Å; R68-E145 PolarHBondContact NH2-OE1 3.15Å; R68-E145 IonicContact NH2-OE2 2.76Å; R68-E145 PolarHBondContact NH2-OE2 2.85Å; G110-E145 PolarHBondContact O-N 2.51Å; V112-E145 HydrophobicContact CG1-CB 4.39Å; V112-E145 HydrophobicContact CG2-CB 4.27Å; F143-E145 PolarHBondContact O-N 2.96Å; E145-N153 HydrophobicContact CG-CB 4.23Å; E145-N153 PolarHBondContact OE1-ND2 2.93Å; E145-Y155 HydrophobicContact CB-CD1 4.19Å; E145-Y155 HydrophobicContact CB-CE1 3.93Å; E145-Y155 HydrophobicContact CG-CD1 4.36Å; E145-Y155 HydrophobicContact CG-CE1 3.72Å; E145-Y155 PolarHBondContact OE1-OH 3.5Å
146K97.9Very high97.7Very high89 Ų8959.2 Ų59.239%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-113.6121-178.9-70.2-179.8167.8177.60110N153 A154 E156K146-N153 CarbonylContact O-C 3.56Å; K146-N153 VanDerWaalsContact O-CA 3.27Å; K146-N153 WeakPolarHBondContact O-CA 3.39Å; K146-A154 PolarHBondContact N-O 3.04Å; K146-A154 PolarHBondContact O-N 2.93Å; K146-E156 WeakPolarHBondContact CE-OE2 3.27Å; K146-E156 IonicContact NZ-OE2 3.83Å; K146-E156 PolarHBondContact NZ-OE2 2.78Å
147L97.8Very high97.8Very high123 Ų12352.7 Ų52.764%0.64427%0.272SS*.EExtended strand (participates in β ladder)trans-71.5130.1169.4-17564.7000109.5N153L147-N153 WeakPolarHBondContact CD1-OD1 3.43Å
148L97.7Very high97.9Very high30 Ų3048.5 Ų48.516%0.15726%0.261CS..  trans-98.5161.8177.8-55.7179.1000110.8N150 N151 Y152 A154 P181 H187L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.48Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.08Å; L148-N151 PolarHBondContact O-N 3.41Å; L148-Y152 VanDerWaalsContact CB-O 3.26Å; L148-Y152 WeakPolarHBondContact CB-O 3.45Å; L148-Y152 WeakPolarHBondContact CG-O 3.34Å; L148-Y152 PolarHBondContact N-O 2.79Å; L148-A154 HydrophobicContact CD1-CB 4.07Å; L148-A154 HydrophobicContact CD2-CB 3.98Å; L148-A154 HydrophobicContact CG-CB 4.21Å; L148-P181 HydrophobicContact CD2-CB 4.09Å; L148-H187 WeakPolarHBondContact CD1-CD2 3.39Å; L148-H187 WeakPolarHBondContact CD1-NE2 3.34Å
149A95.8Very high97.9Very high112 Ų11248.3 Ų48.393%0.92626%0.262SS*.THydrogen-bonded Turntrans-60-21.7-179.500000114.2N151A149-N151 VanDerWaalsContact C-N 3.34Å
150N94.4Very high98Very high72 Ų7245.8 Ų45.839%0.38525%0.245SC..THydrogen-bonded Turntrans-92.714.2176.867.2-12000113.6L148 Y152 H187L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.48Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.08Å; N150-Y152 HydrophobicContact CB-CD2 4.47Å; N150-Y152 WeakPolarHBondContact O-CD2 3.42Å; N150-Y152 PolarHBondContact O-N 3.04Å; N150-Y152 PolarHBondContact OD1-N 3.45Å; N150-H187 PolarHBondContact ND2-CE1 3.49Å; N150-H187 PolarHBondContact ND2-ND1 2.77Å
151N95.2Very high97.9Very high122 Ų12247.5 Ų47.565%0.65226%0.259SS*.SBendtrans6514.5-178.3-54.6-49.7000115.5L148 A149L148-N151 PolarHBondContact O-N 3.41Å; A149-N151 VanDerWaalsContact C-N 3.34Å
152Y98.3Very high97.9Very high48 Ų4857.5 Ų57.519%0.18830%0.297CS..  trans-90.3161.4165.2-75.2-109.7000110N75 L148 N150 H187 L189N75-Y152 HydrophobicContact CB-CE1 4.38Å; L148-Y152 VanDerWaalsContact CB-O 3.26Å; L148-Y152 WeakPolarHBondContact CB-O 3.45Å; L148-Y152 WeakPolarHBondContact CG-O 3.34Å; L148-Y152 PolarHBondContact N-O 2.79Å; N150-Y152 HydrophobicContact CB-CD2 4.47Å; N150-Y152 WeakPolarHBondContact O-CD2 3.42Å; N150-Y152 PolarHBondContact O-N 3.04Å; N150-Y152 PolarHBondContact OD1-N 3.45Å; Y152-H187 HydrophobicContact CD1-CB 3.79Å; Y152-H187 HydrophobicContact CG-CB 3.9Å; Y152-L189 HydrophobicContact CD1-CB 3.86Å; Y152-L189 HydrophobicContact CE1-CB 3.67Å
153N98.5Very high97.9Very high20 Ų2057.6 Ų57.611%0.10730%0.299CS..EExtended strand (participates in β ladder)trans-100.5144.6170.9-65.6-11.4000110.6E145 K146 L147 Y155 F188E145-N153 HydrophobicContact CG-CB 4.23Å; E145-N153 PolarHBondContact OE1-ND2 2.93Å; K146-N153 CarbonylContact O-C 3.56Å; K146-N153 VanDerWaalsContact O-CA 3.27Å; K146-N153 WeakPolarHBondContact O-CA 3.39Å; L147-N153 WeakPolarHBondContact CD1-OD1 3.43Å; N153-Y155 HydrophobicContact CB-CE2 3.99Å; N153-F188 PolarHBondContact N-O 3.24Å; N153-F188 PolarHBondContact O-N 3.06Å
154A98.6Very high97.9Very high0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-110.5144.5161.900000109.6K146 L148 F164K146-A154 PolarHBondContact N-O 3.04Å; K146-A154 PolarHBondContact O-N 2.93Å; L148-A154 HydrophobicContact CD1-CB 4.07Å; L148-A154 HydrophobicContact CD2-CB 3.98Å; L148-A154 HydrophobicContact CG-CB 4.21Å; A154-F164 HydrophobicContact CB-CD1 4.2Å
155Y98.8Very high97.9Very high0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-115.5106.5-179.8-63.6-89.6000109.4L72 V112 L114 F143 R144 E145 N153 F164 L165 F188L72-Y155 HydrophobicContact CD1-CD2 4.38Å; L72-Y155 HydrophobicContact CD1-CE2 3.81Å; L72-Y155 HydrophobicContact CD2-CE2 3.99Å; L72-Y155 VanDerWaalsContact CD2-OH 3.24Å; L72-Y155 WeakPolarHBondContact CD2-OH 3.41Å; V112-Y155 HydrophobicContact CG2-CD1 4.1Å; V112-Y155 HydrophobicContact CG2-CE1 4Å; L114-Y155 HydrophobicContact CD1-CD1 4.36Å; L114-Y155 HydrophobicContact CD2-CE1 4.31Å; F143-Y155 HydrophobicContact CB-CD1 4.35Å; R144-Y155 WeakPolarHBondContact O-CA 3.23Å; E145-Y155 HydrophobicContact CB-CD1 4.19Å; E145-Y155 HydrophobicContact CB-CE1 3.93Å; E145-Y155 HydrophobicContact CG-CD1 4.36Å; E145-Y155 HydrophobicContact CG-CE1 3.72Å; E145-Y155 PolarHBondContact OE1-OH 3.5Å; N153-Y155 HydrophobicContact CB-CE2 3.99Å; Y155-F164 CarbonylContact O-C 3.52Å; Y155-F164 VanDerWaalsContact O-CA 3.29Å; Y155-F164 WeakPolarHBondContact O-CA 3.38Å; Y155-L165 HydrophobicContact CD2-CD2 4.46Å; Y155-L165 HydrophobicContact CG-CD2 4.31Å; Y155-L165 PolarHBondContact O-N 3.12Å; Y155-F188 HydrophobicContact CD2-CB 4.35Å; Y155-F188 HydrophobicContact CD2-CD2 4.06Å; Y155-F188 HydrophobicContact CD2-CG 4.47Å; Y155-F188 HydrophobicContact CE2-CB 3.9Å; Y155-F188 HydrophobicContact CE2-CD2 4.45Å; Y155-F188 HydrophobicContact CE2-CG 4.43Å
156E98.8Very high97.9Very high11 Ų1151 Ų515%0.05127%0.272CS..EExtended strand (participates in β ladder)trans-91.7136.8177.9-168.3-178.2-165.700110.3F143 R144 K146 A158 R162 M163 F164F143-E156 CarbonylContact C-O 3.57Å; F143-E156 WeakPolarHBondContact CA-O 3.49Å; R144-E156 HydrophobicContact CB-CB 4.25Å; R144-E156 PolarHBondContact N-O 2.98Å; R144-E156 PolarHBondContact O-N 3.04Å; K146-E156 WeakPolarHBondContact CE-OE2 3.27Å; K146-E156 IonicContact NZ-OE2 3.83Å; K146-E156 PolarHBondContact NZ-OE2 2.78Å; E156-A158 PolarHBondContact O-N 3.3Å; E156-R162 WeakPolarHBondContact OE1-CA 3.42Å; E156-R162 PolarHBondContact OE1-N 3.32Å; E156-M163 CarbonylContact C-O 3.47Å; E156-M163 WeakPolarHBondContact CA-O 3.39Å; E156-F164 HydrophobicContact CB-CD1 3.76Å; E156-F164 HydrophobicContact CB-CE1 3.4Å; E156-F164 HydrophobicContact CB-CZ 3.97Å; E156-F164 HydrophobicContact CG-CD1 4.18Å; E156-F164 HydrophobicContact CG-CE1 3.66Å; E156-F164 HydrophobicContact CG-CE2 4.23Å; E156-F164 HydrophobicContact CG-CZ 3.67Å
157S98.8Very high97.9Very high0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-61.1128.7171.8178.20000110.5A159 Y160 M163S157-A159 PolarHBondContact OG-N 2.98Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 CarbonylContact O-C 3.56Å; S157-Y160 PolarHBondContact OG-N 3.18Å; S157-M163 PolarHBondContact N-O 2.85Å
158A98.4Very high98Very high27 Ų2741.5 Ų41.522%0.22323%0.227CC..SBendtrans-71.7-36.9173.900000111.5V111 K142 E156V111-A158 HydrophobicContact CG1-CB 4.45Å; K142-A158 HydrophobicContact CB-CB 3.7Å; K142-A158 WeakPolarHBondContact O-CB 3.36Å; K142-A158 PolarHBondContact O-N 2.98Å; E156-A158 PolarHBondContact O-N 3.3Å
159A98.3Very high98Very high37 Ų3747.9 Ų47.931%0.30625%0.254SS..SBendtrans-71.5-33.2176.800000112.9N139 S157N139-A159 HydrophobicContact CB-CB 4.37Å; S157-A159 PolarHBondContact OG-N 2.98Å
160Y98.6Very high98.1Very high53 Ų5347.4 Ų47.421%0.20824%0.235CC..SBendtrans-126.982.2-178-52.5-60.3000110.9M125 R127 E140 S157 M163M125-Y160 WeakPolarHBondContact O-CD2 3.14Å; M125-Y160 VanDerWaalsContact O-CE2 3.28Å; M125-Y160 WeakPolarHBondContact O-CE2 3.48Å; R127-Y160 VanDerWaalsContact CA-CZ 3.48Å; R127-Y160 HydrophobicContact CB-CD1 4.36Å; R127-Y160 HydrophobicContact CB-CE1 3.7Å; R127-Y160 HydrophobicContact CB-CE2 4.19Å; R127-Y160 HydrophobicContact CG-CD1 4.17Å; R127-Y160 HydrophobicContact CG-CE1 3.7Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.21Å; E140-Y160 PolarHBondContact OE1-OH 2.84Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 CarbonylContact O-C 3.56Å; S157-Y160 PolarHBondContact OG-N 3.18Å; Y160-M163 HydrophobicContact CG-SD 4.46Å; Y160-M163 WeakPolarHBondContact O-CB 3.39Å; Y160-M163 PolarHBondContact O-N 3.06Å
161P97.6Very high98.2Very high73 Ų7344.1 Ų44.147%0.47422%0.219SC..THydrogen-bonded Turntrans-52.5147.9179.3-26.935.1000112.4M163P161-M163 PolarHBondContact O-N 2.97Å
162R97.7Very high98.4Very high211 Ų21144.9 Ų44.980%0.79622%0.216SC*.THydrogen-bonded Turntrans695.9-175-48.5173.465.4137.40.4115.2E156 F164E156-R162 WeakPolarHBondContact OE1-CA 3.42Å; E156-R162 PolarHBondContact OE1-N 3.32Å; R162-F164 WeakPolarHBondContact O-CD2 3.24Å; R162-F164 WeakPolarHBondContact O-CE2 3.48Å
163M98.8Very high98.4Very high33 Ų3344.9 Ų44.916%0.16322%0.221CC..  trans-101.9131.5170.3-55.9-164.2-170.400110.9M125 E156 S157 Y160 P161 G176 N177M125-M163 HydrophobicContact SD-CB 3.54Å; M125-M163 VanDerWaalsContact SD-CB 3.54Å; M125-M163 HydrophobicContact SD-SD 4.39Å; E156-M163 CarbonylContact C-O 3.47Å; E156-M163 WeakPolarHBondContact CA-O 3.39Å; S157-M163 PolarHBondContact N-O 2.85Å; Y160-M163 HydrophobicContact CG-SD 4.46Å; Y160-M163 WeakPolarHBondContact O-CB 3.39Å; Y160-M163 PolarHBondContact O-N 3.06Å; P161-M163 PolarHBondContact O-N 2.97Å; M163-G176 WeakPolarHBondContact CA-O 3.42Å; M163-N177 HydrophobicContact CE-CB 3.93Å; M163-N177 HydrophobicContact CG-CB 4.2Å; M163-N177 HydrophobicContact SD-CB 4Å
164F98.8Very high98.4Very high10 Ų1047.2 Ų47.24%0.04423%0.23CC..BIsolated β-bridgetrans-122.1150.6-173-62.6-94.6000112.7M125 A154 Y155 E156 R162 G176 V179 P181 T186M125-F164 VanDerWaalsContact CE-C 3.46Å; M125-F164 WeakPolarHBondContact CE-O 3.44Å; A154-F164 HydrophobicContact CB-CD1 4.2Å; Y155-F164 CarbonylContact O-C 3.52Å; Y155-F164 VanDerWaalsContact O-CA 3.29Å; Y155-F164 WeakPolarHBondContact O-CA 3.38Å; E156-F164 HydrophobicContact CB-CD1 3.76Å; E156-F164 HydrophobicContact CB-CE1 3.4Å; E156-F164 HydrophobicContact CB-CZ 3.97Å; E156-F164 HydrophobicContact CG-CD1 4.18Å; E156-F164 HydrophobicContact CG-CE1 3.66Å; E156-F164 HydrophobicContact CG-CE2 4.23Å; E156-F164 HydrophobicContact CG-CZ 3.67Å; R162-F164 WeakPolarHBondContact O-CD2 3.24Å; R162-F164 WeakPolarHBondContact O-CE2 3.48Å; F164-G176 PolarHBondContact N-O 2.88Å; F164-G176 VanDerWaalsContact O-CA 3.23Å; F164-G176 WeakPolarHBondContact O-CA 3.29Å; F164-V179 HydrophobicContact CB-CG2 4.08Å; F164-V179 WeakPolarHBondContact O-CG2 3.43Å; F164-P181 HydrophobicContact CD1-CG 3.95Å; F164-P181 HydrophobicContact CD2-CG 4.26Å; F164-P181 HydrophobicContact CE1-CG 3.37Å; F164-P181 VanDerWaalsContact CE2-CD 3.49Å; F164-P181 HydrophobicContact CE2-CG 3.75Å; F164-P181 HydrophobicContact CG-CG 4.37Å; F164-P181 HydrophobicContact CZ-CG 3.27Å; F164-T186 HydrophobicContact CB-CG2 4.03Å
165L98.8Very high98.4Very high0 Ų051.8 Ų51.80%025%0.248CC..  trans-57.4143.3163.1-87.860.2000108.8I82 L114 V123 M125 L131 F143 Y155 T186 F188I82-L165 HydrophobicContact CD1-CD2 4.04Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å; V123-L165 HydrophobicContact CG1-CD2 4.37Å; M125-L165 HydrophobicContact CE-CD1 3.93Å; L131-L165 HydrophobicContact CD1-CG 4.12Å; L131-L165 HydrophobicContact CD2-CD1 3.99Å; L131-L165 HydrophobicContact CD2-CG 4.1Å; F143-L165 HydrophobicContact CD1-CD1 3.35Å; F143-L165 HydrophobicContact CE1-CD1 3.22Å; F143-L165 HydrophobicContact CE2-CD1 4.47Å; F143-L165 HydrophobicContact CG-CD1 4.08Å; F143-L165 HydrophobicContact CZ-CD1 3.83Å; Y155-L165 HydrophobicContact CD2-CD2 4.46Å; Y155-L165 HydrophobicContact CG-CD2 4.31Å; Y155-L165 PolarHBondContact O-N 3.12Å; L165-T186 WeakPolarHBondContact O-CA 3.38Å; L165-T186 WeakPolarHBondContact O-CG2 3.42Å; L165-F188 HydrophobicContact CB-CE2 3.8Å; L165-F188 HydrophobicContact CB-CZ 4.26Å
166G98.4Very high98.4Very high0 Ų051.8 Ų51.80%025%0.248CC..  trans-165.2148.4171.800000114.5T173 K174 V185G166-T173 WeakPolarHBondContact O-CA 3.44Å; G166-K174 PolarHBondContact O-N 2.75Å; G166-V185 CarbonylContact C-O 3.51Å; G166-V185 WeakPolarHBondContact CA-O 3.5Å
167L98.6Very high98.3Very high0 Ų055.7 Ų55.70%027%0.269CS..BIsolated β-bridgetrans-115.6138.2174.8-66.6-177.9000110.3C74 V76 F80 I82 K172 T173 V185 F188C74-L167 HydrophobicContact CB-CB 4.46Å; C74-L167 HydrophobicContact CB-CD1 4.14Å; V76-L167 HydrophobicContact CG2-CB 4.45Å; F80-L167 HydrophobicContact CB-CD1 3.86Å; I82-L167 HydrophobicContact CG1-CD1 3.88Å; I82-L167 HydrophobicContact CG1-CD2 4.29Å; I82-L167 HydrophobicContact CG1-CG 4.18Å; L167-K172 CarbonylContact C-O 3.58Å; L167-K172 WeakPolarHBondContact CA-O 3.4Å; L167-T173 HydrophobicContact CD2-CG2 4.11Å; L167-V185 PolarHBondContact N-O 3.27Å; L167-V185 WeakPolarHBondContact O-CB 3.43Å; L167-V185 WeakPolarHBondContact O-CG1 3.49Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; L167-F188 HydrophobicContact CG-CE1 4.12Å; L167-F188 HydrophobicContact CG-CZ 4.21Å
168S98.3Very high98.3Very high12 Ų1265 Ų658%0.08430%0.304CS..  trans-74.1167.6170.656.30000111.3N170 G171 K172S168-N170 WeakPolarHBondContact CB-OD1 3.26Å; S168-N170 PolarHBondContact O-N 3.46Å; S168-N170 PolarHBondContact OG-OD1 2.95Å; S168-G171 PolarHBondContact O-N 3.4Å; S168-K172 PolarHBondContact N-O 2.94Å; S168-K172 WeakPolarHBondContact OG-CA 3.37Å; S168-K172 WeakPolarHBondContact OG-CB 3.09Å; S168-K172 PolarHBondContact OG-N 2.97Å; S168-K172 PolarHBondContact OG-O 2.76Å
169K98.1Very high98.3Very high165 Ų16564.1 Ų64.172%0.71730%0.296SS*.THydrogen-bonded Turntrans-59.6-14.7174.2-61.8-176.2178.7-175.80114.2F80F80-K169 VanDerWaalsContact CE2-O 3.31Å; F80-K169 WeakPolarHBondContact CE2-O 3.37Å
170N97.8Very high98.3Very high101 Ų10164.6 Ų64.654%0.5430%0.297SS..THydrogen-bonded Turntrans-10718.1175.466.2-5.4000113.1S168 K172S168-N170 WeakPolarHBondContact CB-OD1 3.26Å; S168-N170 PolarHBondContact O-N 3.46Å; S168-N170 PolarHBondContact OG-OD1 2.95Å; N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 2.92Å
171G97.4Very high98.3Very high4 Ų464.1 Ų64.14%0.04130%0.3CS..SBendtrans74.19.4175.500000115.1G92 S168G92-G171 WeakPolarHBondContact CA-O 3.24Å; G92-G171 PolarHBondContact N-O 2.95Å; S168-G171 PolarHBondContact O-N 3.4Å
172K98.4Very high98.2Very high138 Ų13865 Ų6560%0.631%0.314SS*.PPolyproline II helixtrans-86.5149.7174.2-62.5-174179.8-178.40110.5L167 S168 N170 K174L167-K172 CarbonylContact C-O 3.58Å; L167-K172 WeakPolarHBondContact CA-O 3.4Å; S168-K172 PolarHBondContact N-O 2.94Å; S168-K172 WeakPolarHBondContact OG-CA 3.37Å; S168-K172 WeakPolarHBondContact OG-CB 3.09Å; S168-K172 PolarHBondContact OG-N 2.97Å; S168-K172 PolarHBondContact OG-O 2.76Å; N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 2.92Å; K172-K174 PolarHBondContact O-N 2.87Å
173T98.6Very high98.3Very high48 Ų4858.4 Ų58.429%0.29429%0.293SS..BIsolated β-bridgetrans-67.3135.6174.355.50000111.2I90 L131 G166 L167I90-T173 HydrophobicContact CB-CG2 4.13Å; I90-T173 HydrophobicContact CG2-CG2 3.86Å; I90-T173 WeakPolarHBondContact O-CG2 3.47Å; L131-T173 HydrophobicContact CB-CG2 4.17Å; L131-T173 HydrophobicContact CD1-CG2 3.89Å; G166-T173 WeakPolarHBondContact O-CA 3.44Å; L167-T173 HydrophobicContact CD2-CG2 4.11Å
174K98.5Very high98.2Very high68 Ų6860.9 Ų60.930%0.29631%0.31SS..PPolyproline II helixtrans-83.6155.8168.4-69.7-75.4-173.577.30110.1G166 K172 V179G166-K174 PolarHBondContact O-N 2.75Å; K172-K174 PolarHBondContact O-N 2.87Å; K174-V179 HydrophobicContact CB-CG1 3.61Å; K174-V179 HydrophobicContact CD-CG1 4.49Å; K174-V179 HydrophobicContact CG-CG1 3.99Å
175R98.7Very high98.2Very high96 Ų9661 Ų6136%0.36231%0.311SS..PPolyproline II helixtrans-72.7128.9169.6-68.5-71.2-177.2153-4.2109.1R128 G129 K130 N177 R178R128-R175 WeakPolarHBondContact O-CD 3.46Å; R128-R175 PolarHBondContact O-NH1 2.7Å; G129-R175 CarbonylContact O-C 3.5Å; G129-R175 VanDerWaalsContact O-CA 3.31Å; G129-R175 WeakPolarHBondContact O-CA 3.46Å; K130-R175 VanDerWaalsContact CB-NH1 3.33Å; R175-N177 WeakPolarHBondContact CB-OD1 3.02Å; R175-N177 PolarHBondContact O-N 2.98Å; R175-R178 HydrophobicContact CB-CB 4.32Å; R175-R178 HydrophobicContact CB-CG 4.04Å; R175-R178 WeakPolarHBondContact O-CB 3.14Å; R175-R178 PolarHBondContact O-N 3.25Å
176G98.6Very high98.2Very high0 Ų061 Ų610%031%0.311CS..G310 helixtrans-59.7-32.2-174.300000114G129 M163 F164 R178 V179G129-G176 PolarHBondContact O-N 3.18Å; M163-G176 WeakPolarHBondContact CA-O 3.42Å; F164-G176 PolarHBondContact N-O 2.88Å; F164-G176 VanDerWaalsContact O-CA 3.23Å; F164-G176 WeakPolarHBondContact O-CA 3.29Å; G176-R178 PolarHBondContact O-N 3.2Å; G176-V179 WeakPolarHBondContact O-CG2 3.38Å
177N98.3Very high98.2Very high93 Ų9361.9 Ų61.950%0.49732%0.316SS..G310 helixtrans-77.60.817569.4-27.7000114.6M163 R175M163-N177 HydrophobicContact CE-CB 3.93Å; M163-N177 HydrophobicContact CG-CB 4.2Å; M163-N177 HydrophobicContact SD-CB 4Å; R175-N177 WeakPolarHBondContact CB-OD1 3.02Å; R175-N177 PolarHBondContact O-N 2.98Å
178R98.4Very high98.2Very high195 Ų19561.9 Ų61.974%0.73632%0.316SS*.G310 helixtrans-115.211.4178.3-61.7-171.7179.1-177.9-3.2112.8R175 G176R175-R178 HydrophobicContact CB-CB 4.32Å; R175-R178 HydrophobicContact CB-CG 4.04Å; R175-R178 WeakPolarHBondContact O-CB 3.14Å; R175-R178 PolarHBondContact O-N 3.25Å; G176-R178 PolarHBondContact O-N 3.2Å
179V98.4Very high98.2Very high9 Ų964.4 Ų64.46%0.05533%0.328CS..  trans-135.6156-178.8-65.20000110.3F164 K174 G176 M183 V185 T186F164-V179 HydrophobicContact CB-CG2 4.08Å; F164-V179 WeakPolarHBondContact O-CG2 3.43Å; K174-V179 HydrophobicContact CB-CG1 3.61Å; K174-V179 HydrophobicContact CD-CG1 4.49Å; K174-V179 HydrophobicContact CG-CG1 3.99Å; G176-V179 WeakPolarHBondContact O-CG2 3.38Å; V179-M183 HydrophobicContact CB-SD 4.27Å; V179-M183 HydrophobicContact CG1-CE 4.45Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; V179-V185 HydrophobicContact CB-CG2 4.31Å; V179-V185 HydrophobicContact CG1-CG2 3.76Å; V179-T186 HydrophobicContact CB-CG2 3.57Å; V179-T186 HydrophobicContact CG1-CG2 4.43Å; V179-T186 HydrophobicContact CG2-CG2 3.72Å
180S98Very high98.2Very high47 Ų4758.1 Ų58.133%0.32930%0.304SS..  trans-139.9163.1177.574.10000110.8A182 M183 T186S180-A182 PolarHBondContact O-N 3.02Å; S180-A182 VanDerWaalsContact O-N 3.12Å; S180-M183 PolarHBondContact N-SD 2.93Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 2.84Å; S180-T186 WeakPolarHBondContact O-CG2 3.21Å; S180-T186 PolarHBondContact O-OG1 3.43Å; S180-T186 VanDerWaalsContact O-OG1 3.06Å
181P97.3Very high98.1Very high43 Ų4358 Ų5828%0.27930%0.296SS..THydrogen-bonded Turntrans-61.7-18.4178.8-25.637.2000114.4L148 F164 M183 H187L148-P181 HydrophobicContact CD2-CB 4.09Å; F164-P181 HydrophobicContact CD1-CG 3.95Å; F164-P181 HydrophobicContact CD2-CG 4.26Å; F164-P181 HydrophobicContact CE1-CG 3.37Å; F164-P181 VanDerWaalsContact CE2-CD 3.49Å; F164-P181 HydrophobicContact CE2-CG 3.75Å; F164-P181 HydrophobicContact CG-CG 4.37Å; F164-P181 HydrophobicContact CZ-CG 3.27Å; P181-M183 PolarHBondContact O-N 2.85Å; P181-H187 PolarHBondContact O-NE2 2.98Å
182A97.3Very high97.6Very high91 Ų9164.8 Ų64.875%0.75233%0.329SS*.THydrogen-bonded Turntrans-72.1-18.6173.800000112.2S180S180-A182 PolarHBondContact O-N 3.02Å; S180-A182 VanDerWaalsContact O-N 3.12Å
183M98.3Very high97.6Very high74 Ų7461.1 Ų61.137%0.36532%0.316SS..SBendtrans-94.6128.5-177.4-53.117067.700110.8V179 S180 P181 V185 T186 H187V179-M183 HydrophobicContact CB-SD 4.27Å; V179-M183 HydrophobicContact CG1-CE 4.45Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; S180-M183 PolarHBondContact N-SD 2.93Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 2.84Å; P181-M183 PolarHBondContact O-N 2.85Å; M183-V185 HydrophobicContact CB-CG2 3.74Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 PolarHBondContact O-N 3.03Å; M183-T186 PolarHBondContact O-N 2.89Å; M183-T186 PolarHBondContact O-OG1 2.75Å; M183-H187 PolarHBondContact O-CD2 2.98Å; M183-H187 PolarHBondContact O-NE2 2.86Å
184T98.1Very high97.5Very high84 Ų8461.8 Ų61.852%0.51532%0.317SS..G310 helixtrans-58-22.9-179.655.40000114.3T186 H187T184-T186 PolarHBondContact O-N 3.21Å; T184-T186 VanDerWaalsContact O-N 3.07Å; T184-H187 WeakPolarHBondContact O-CB 3.28Å; T184-H187 PolarHBondContact O-N 2.71Å
185V98.6Very high97.4Very high12 Ų1261.4 Ų61.47%0.07332%0.318CS..G310 helixtrans-60.6-13.7172.9-600000114.3V76 G166 L167 V179 M183V76-V185 HydrophobicContact CG1-CG1 4.15Å; G166-V185 CarbonylContact C-O 3.51Å; G166-V185 WeakPolarHBondContact CA-O 3.5Å; L167-V185 PolarHBondContact N-O 3.27Å; L167-V185 WeakPolarHBondContact O-CB 3.43Å; L167-V185 WeakPolarHBondContact O-CG1 3.49Å; V179-V185 HydrophobicContact CB-CG2 4.31Å; V179-V185 HydrophobicContact CG1-CG2 3.76Å; M183-V185 HydrophobicContact CB-CG2 3.74Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 PolarHBondContact O-N 3.03Å
186T98.6Very high97.4Very high0 Ų059.4 Ų59.40%032%0.316CS..G310 helixtrans-105.6-0.9177.465.70000113.4F164 L165 V179 S180 M183 T184 F188F164-T186 HydrophobicContact CB-CG2 4.03Å; L165-T186 WeakPolarHBondContact O-CA 3.38Å; L165-T186 WeakPolarHBondContact O-CG2 3.42Å; V179-T186 HydrophobicContact CB-CG2 3.57Å; V179-T186 HydrophobicContact CG1-CG2 4.43Å; V179-T186 HydrophobicContact CG2-CG2 3.72Å; S180-T186 WeakPolarHBondContact O-CG2 3.21Å; S180-T186 PolarHBondContact O-OG1 3.43Å; S180-T186 VanDerWaalsContact O-OG1 3.06Å; M183-T186 PolarHBondContact O-N 2.89Å; M183-T186 PolarHBondContact O-OG1 2.75Å; T184-T186 PolarHBondContact O-N 3.21Å; T184-T186 VanDerWaalsContact O-N 3.07Å; T186-F188 WeakPolarHBondContact O-CD2 3.31Å
187H98.8Very high97.3Very high20 Ų2063.1 Ų63.19%0.09334%0.335CS..  trans-90119.9-174.9-62.1-177.5000109C74 L148 N150 Y152 P181 M183 T184C74-H187 WeakPolarHBondContact CA-O 3.41Å; C74-H187 PolarHBondContact SG-O 2.99Å; L148-H187 WeakPolarHBondContact CD1-CD2 3.39Å; L148-H187 WeakPolarHBondContact CD1-NE2 3.34Å; N150-H187 PolarHBondContact ND2-CE1 3.49Å; N150-H187 PolarHBondContact ND2-ND1 2.77Å; Y152-H187 HydrophobicContact CD1-CB 3.79Å; Y152-H187 HydrophobicContact CG-CB 3.9Å; P181-H187 PolarHBondContact O-NE2 2.98Å; M183-H187 PolarHBondContact O-CD2 2.98Å; M183-H187 PolarHBondContact O-NE2 2.86Å; T184-H187 WeakPolarHBondContact O-CB 3.28Å; T184-H187 PolarHBondContact O-N 2.71Å
188F98.8Very high97.2Very high0 Ų061.1 Ų61.10%033%0.325CS..BIsolated β-bridgetrans-123.9129.1179.5-65.6-86.1000110.7L72 Y73 C74 I82 N153 Y155 L165 L167 T186L72-F188 HydrophobicContact CB-CB 4.29Å; L72-F188 HydrophobicContact CB-CD1 4Å; L72-F188 HydrophobicContact CB-CG 4.43Å; Y73-F188 CarbonylContact O-C 3.54Å; Y73-F188 VanDerWaalsContact O-CA 3.28Å; Y73-F188 WeakPolarHBondContact O-CA 3.3Å; C74-F188 HydrophobicContact CB-CD1 3.76Å; C74-F188 HydrophobicContact CB-CE1 3.61Å; C74-F188 HydrophobicContact CB-CZ 4.35Å; I82-F188 HydrophobicContact CD1-CD1 4.24Å; I82-F188 HydrophobicContact CD1-CE1 3.49Å; I82-F188 VanDerWaalsContact CD1-CE1 3.49Å; I82-F188 HydrophobicContact CD1-CZ 3.73Å; I82-F188 HydrophobicContact CG1-CE1 3.78Å; I82-F188 HydrophobicContact CG1-CZ 4.38Å; N153-F188 PolarHBondContact N-O 3.24Å; N153-F188 PolarHBondContact O-N 3.06Å; Y155-F188 HydrophobicContact CD2-CB 4.35Å; Y155-F188 HydrophobicContact CD2-CD2 4.06Å; Y155-F188 HydrophobicContact CD2-CG 4.47Å; Y155-F188 HydrophobicContact CE2-CB 3.9Å; Y155-F188 HydrophobicContact CE2-CD2 4.45Å; Y155-F188 HydrophobicContact CE2-CG 4.43Å; L165-F188 HydrophobicContact CB-CE2 3.8Å; L165-F188 HydrophobicContact CB-CZ 4.26Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; L167-F188 HydrophobicContact CG-CE1 4.12Å; L167-F188 HydrophobicContact CG-CZ 4.21Å; T186-F188 WeakPolarHBondContact O-CD2 3.31Å
189L98.3Very high97.1Very high64 Ų6451.6 Ų51.634%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-97.3116.5172.8-17964.9000108.8Y73 Y152 R191Y73-L189 PolarHBondContact N-O 3.28Å; Y73-L189 PolarHBondContact O-N 2.96Å; Y152-L189 HydrophobicContact CD1-CB 3.86Å; Y152-L189 HydrophobicContact CE1-CB 3.67Å; L189-R191 HydrophobicContact CD2-CG 4.3Å; L189-R191 HydrophobicContact CG-CG 4.23Å; L189-R191 PolarHBondContact O-N 2.9Å
190P97.4Very high97Very high34 Ų3454.8 Ų54.822%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-67.6118.6170.8-18.532.4000110.8R70 R71 L72R70-P190 HydrophobicContact CB-CB 4.3Å; R70-P190 HydrophobicContact CG-CB 4.24Å; R71-P190 CarbonylContact O-C 3.46Å; R71-P190 WeakPolarHBondContact O-CA 3.47Å; L72-P190 HydrophobicContact CD2-CB 4.2Å; L72-P190 HydrophobicContact CD2-CG 4.07Å
191R95.7Very high97Very high99 Ų9955.5 Ų55.537%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-113.2154.6178.1-61.5-179.768.7-156.5-2.6110.9R70 R71 H81 E96 L189R70-R191 CarbonylContact C-O 3.59Å; R70-R191 WeakPolarHBondContact CA-O 3.5Å; R70-R191 WeakPolarHBondContact CB-O 3.44Å; R70-R191 WeakPolarHBondContact CD-O 3.34Å; R71-R191 PolarHBondContact N-O 3.48Å; R71-R191 PolarHBondContact O-N 3.03Å; H81-R191 PolarHBondContact CE1-NH1 2.79Å; H81-R191 PolarHBondContact NE2-NH1 2.96Å; E96-R191 IonicContact OE1-CZ 3.73Å; E96-R191 IonicContact OE1-NH1 2.88Å; E96-R191 PolarHBondContact OE1-NH1 2.48Å; E96-R191 IonicContact OE1-NH2 3.91Å; L189-R191 HydrophobicContact CD2-CG 4.3Å; L189-R191 HydrophobicContact CG-CG 4.23Å; L189-R191 PolarHBondContact O-N 2.9Å
192I86.5Confident96.9Very high145 Ų14556.6 Ų56.674%0.74432%0.315SS*.  trans-860174.9-63174000109R71R71-I192 PolarHBondContact NH1-OXT 3.36Å

Retrieved 192 of 192 residues in 209.4 ms (Link to these results)