A0A096NM19_PAPAN Loading...

Fibroblast growth factor

AlphaFold DB (A0A6D2W9H5), UniProt , Accession A0A096NM19, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 194 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low44.9Very low237 Ų237162.4 Ų162.4100%1.16778%0.78SS**  081.70-64.4-172.9-8100107.3
2H38.8Very low45.5Very low163 Ų163156.6 Ų156.676%0.75576%0.762SS**  86.2109.193.7-106.2-48.8000113.9
3K40.6Very low46Very low143 Ų143155.3 Ų155.362%0.62276%0.76SS**  trans76137.3147.7-44.7179.6177.8-1770114.7
4W37.1Very low46.6Very low216 Ų216152.9 Ų152.982%0.81875%0.751SS**  cis-152.6127.234.6-74.881.1000111.8
5I49.8Very low47.1Very low163 Ų163153.3 Ų153.384%0.83674%0.743SS**  trans-74.3118.2152.6-81.8159.8000106.4
6L49.6Very low47.5Very low145 Ų145155 Ų15576%0.75974%0.739SS**  trans173.9105.1147.9-112.6115.5000106.8
7T47.1Very low47.9Very low117 Ų117149.1 Ų149.172%0.71872%0.717SS**  trans174-4161.130.20000113.5I9T7-I9 VanDerWaalsContact C-N 3.31Å; T7-I9 PolarHBondContact O-N 3.15Å; T7-I9 VanDerWaalsContact O-N 3.15Å
8W43.9Very low48.3Very low228 Ų228144.7 Ų144.786%0.86470%0.704SS**THydrogen-bonded Turntrans-84.621.9-170.1-78.692.9000117
9I52.6Low48.6Very low147 Ų147143.2 Ų143.275%0.75469%0.694SS**THydrogen-bonded Turntrans-125.4-7.2178-55.1-179000113.2T7T7-I9 VanDerWaalsContact C-N 3.31Å; T7-I9 PolarHBondContact O-N 3.15Å; T7-I9 VanDerWaalsContact O-N 3.15Å
10L47.9Very low48.7Very low152 Ų152142.2 Ų142.280%0.79669%0.688SS**SBendtrans-109.6-8.8-173.1-129.674.3000119.3
11P49.5Very low49.1Very low75 Ų75140.8 Ų140.849%0.48768%0.683SS.*SBendtrans-99.3-11173.411.36.5000114.6L13 L14 Y15P11-L13 VanDerWaalsContact C-N 3.27Å; P11-L13 PolarHBondContact O-N 3.18Å; P11-L14 PolarHBondContact O-N 3.3Å; P11-Y15 PolarHBondContact O-N 3.29Å; P11-Y15 VanDerWaalsContact O-N 3.09Å
12T52.3Low50Low93 Ų93135.4 Ų135.457%0.57166%0.657SS**Hα-helixtrans-70.1-21.5-173.950.40000113.6
13L52.2Low50.7Low140 Ų140131.4 Ų131.473%0.73365%0.646SS**Hα-helixtrans-82.9-27.2172.9-80162.8000113.4P11 S17P11-L13 VanDerWaalsContact C-N 3.27Å; P11-L13 PolarHBondContact O-N 3.18Å; L13-S17 PolarHBondContact O-OG 3.38Å
14L53.7Low51.2Low121 Ų121130.5 Ų130.563%0.63465%0.648SS**Hα-helixtrans-84-27.7178.1-67.9172.5000112.5P11 S17 C18P11-L14 PolarHBondContact O-N 3.3Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-OG 3.42Å; L14-C18 PolarHBondContact O-N 3.16Å; L14-C18 PolarHBondContact O-SG 3.22Å
15Y54.9Low51.9Low160 Ų160125.2 Ų125.263%0.62764%0.639SS**Hα-helixtrans-71.1-35.1174.8-168.8-105.8000112.3P11 C18 F19P11-Y15 PolarHBondContact O-N 3.29Å; P11-Y15 VanDerWaalsContact O-N 3.09Å; Y15-C18 PolarHBondContact O-N 3.49Å; Y15-F19 HydrophobicContact CD1-CD2 4.39Å; Y15-F19 AromaticContact CE1-CD2 3.85Å; Y15-F19 HydrophobicContact CE1-CD2 3.85Å; Y15-F19 AromaticContact CE1-CE2 3.85Å; Y15-F19 HydrophobicContact CE1-CE2 3.85Å; Y15-F19 HydrophobicContact CE2-CE2 4.46Å; Y15-F19 AromaticContact CZ-CD2 3.95Å; Y15-F19 AromaticContact CZ-CE2 3.67Å; Y15-F19 PolarHBondContact O-N 3.48Å; Y15-F19 VanDerWaalsContact O-N 3.16Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.48Å
16R52.6Low51.9Low180 Ų180119.7 Ų119.768%0.67962%0.623SS**Hα-helixtrans-73.4-30.4178.4-158.1176176.6-155.5-1112.6H20R16-H20 PolarHBondContact O-CD2 3.09Å; R16-H20 VanDerWaalsContact O-CD2 3.23Å
17S54.7Low52Low54 Ų54118 Ų11838%0.37862%0.618SS.*Hα-helixtrans-74.2-35.1172.751.80000112.9L13 L14 I21L13-S17 PolarHBondContact O-OG 3.38Å; L14-S17 WeakPolarHBondContact CA-OG 3.44Å; L14-S17 PolarHBondContact O-OG 3.42Å; S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 3.23Å
18C54.7Low52.3Low71 Ų71119.2 Ų119.248%0.4862%0.619SS.*Hα-helixtrans-68.7-36.2175-75.60000112.6L14 Y15 H20 I21 I22L14-C18 PolarHBondContact O-N 3.16Å; L14-C18 PolarHBondContact O-SG 3.22Å; Y15-C18 PolarHBondContact O-N 3.49Å; C18-H20 VanDerWaalsContact C-N 3.33Å; C18-H20 PolarHBondContact O-N 2.92Å; C18-I21 PolarHBondContact O-N 3.19Å; C18-I22 WeakPolarHBondContact O-CG1 3.43Å; C18-I22 PolarHBondContact O-N 3.47Å
19F54.3Low52.7Low116 Ų116113.7 Ų113.751%0.50962%0.615SS.*Hα-helixtrans-64.1-35.9177.8-117.7-90.8000112.9Y15 C23Y15-F19 HydrophobicContact CD1-CD2 4.39Å; Y15-F19 AromaticContact CE1-CD2 3.85Å; Y15-F19 HydrophobicContact CE1-CD2 3.85Å; Y15-F19 AromaticContact CE1-CE2 3.85Å; Y15-F19 HydrophobicContact CE1-CE2 3.85Å; Y15-F19 HydrophobicContact CE2-CE2 4.46Å; Y15-F19 AromaticContact CZ-CD2 3.95Å; Y15-F19 AromaticContact CZ-CE2 3.67Å; Y15-F19 PolarHBondContact O-N 3.48Å; Y15-F19 VanDerWaalsContact O-N 3.16Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.48Å; F19-C23 PolarHBondContact O-N 3.32Å; F19-C23 PolarHBondContact O-SG 3.49Å
20H52.1Low52.7Low123 Ų123114.2 Ų114.257%0.56962%0.619SS**Hα-helixtrans-75.2-31.6176.2-76.4-64.3000113.4R16 C18 L24R16-H20 PolarHBondContact O-CD2 3.09Å; R16-H20 VanDerWaalsContact O-CD2 3.23Å; C18-H20 VanDerWaalsContact C-N 3.33Å; C18-H20 PolarHBondContact O-N 2.92Å; H20-L24 PolarHBondContact O-N 3.43Å
21I56.2Low52.7Low113 Ų113111.5 Ų111.558%0.57962%0.618SS**Hα-helixtrans-72.9-36.2176.3-68.2-179.1000111.4S17 C18 C23 L24 V25S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 3.23Å; C18-I21 PolarHBondContact O-N 3.19Å; I21-C23 PolarHBondContact O-N 3.33Å; I21-L24 PolarHBondContact O-N 3.33Å; I21-V25 PolarHBondContact O-N 3.31Å
22I56.1Low52.4Low123 Ų123113.5 Ų113.563%0.63163%0.632SS**Hα-helixtrans-66.7-36.7175.8-65.9166.7000111.3C18 L24 G26C18-I22 WeakPolarHBondContact O-CG1 3.43Å; C18-I22 PolarHBondContact O-N 3.47Å; I22-L24 PolarHBondContact O-N 3.04Å; I22-G26 PolarHBondContact O-N 3.36Å
23C53.2Low52Low79 Ų79116 Ų11653%0.53464%0.642SS.*Hα-helixtrans-70.3-25.5176.2-71.60000114.3F19 I21F19-C23 PolarHBondContact O-N 3.32Å; F19-C23 PolarHBondContact O-SG 3.49Å; I21-C23 PolarHBondContact O-N 3.33Å
24L51.9Low51.5Low124 Ų124117.3 Ų117.365%0.64965%0.65SS**Hα-helixtrans-85.5-21.7179-92158.7000114H20 I21 I22 T27H20-L24 PolarHBondContact O-N 3.43Å; I21-L24 PolarHBondContact O-N 3.33Å; I22-L24 PolarHBondContact O-N 3.04Å; L24-T27 PolarHBondContact O-OG1 3.31Å
25V51.3Low50.8Low106 Ų106116.6 Ų116.664%0.64265%0.645SS**Hα-helixtrans-90.1-21.3174.3-174.30000111.5I21 T27I21-V25 PolarHBondContact O-N 3.31Å; V25-T27 VanDerWaalsContact C-N 3.25Å; V25-T27 PolarHBondContact O-N 3.24Å
26G49.6Very low50.8Low47 Ų47112.8 Ų112.849%0.48564%0.638SS.*THydrogen-bonded Turntrans-70.8-12173.200000115.2I22I22-G26 PolarHBondContact O-N 3.36Å
27T51.3Low50.8Low108 Ų108110.1 Ų110.166%0.66364%0.644SS**THydrogen-bonded Turntrans-96.10.1179.451.70000114.3L24 V25L24-T27 PolarHBondContact O-OG1 3.31Å; V25-T27 VanDerWaalsContact C-N 3.25Å; V25-T27 PolarHBondContact O-N 3.24Å
28I52.8Low50.8Low144 Ų144115.7 Ų115.774%0.73866%0.664SS**SBendtrans-107.5-3.1-179.6-60.3178.4000113.3
29S53.6Low50.4Low111 Ų111118.2 Ų118.278%0.77667%0.669SS**SBendtrans-13461.4174.2-104.40000112.4
30L51.6Low50Low159 Ų159119.8 Ų119.883%0.83268%0.68SS**  trans-140.666.5158.8-102.1154.4000107.9
31A49.1Very low50.1Low94 Ų94117.9 Ų117.978%0.77769%0.685SS**  trans-124.365.4158.200000107.3
32C41.9Very low50Low117 Ų117117.3 Ų117.379%0.79169%0.687SS**  trans-99.6106.8153.8-147.10000104.6D34C32-D34 PolarHBondContact O-N 3.18Å
33N44.6Very low49.9Very low147 Ų147119.2 Ų119.279%0.78670%0.699SS**  trans-55.7120179.8-64.4-51.8000109.2M35N33-M35 PolarHBondContact O-N 2.89Å
34D41.6Very low49.6Very low167 Ų167121 Ų12189%0.89371%0.707SS**  trans-62.692.2159-85-34.8000107.2C32 T36C32-D34 PolarHBondContact O-N 3.18Å; D34-T36 PolarHBondContact O-N 3.42Å
35M39.5Very low49.6Very low106 Ų106121.7 Ų121.752%0.52271%0.711SS.*  trans-79.9105.1172.8-161.6168.6-17400107.2N33 Q39 M40N33-M35 PolarHBondContact O-N 2.89Å; M35-Q39 HydrophobicContact CE-CB 4.21Å; M35-M40 HydrophobicContact CE-CG 3.8Å; M35-M40 HydrophobicContact SD-CE 3.85Å; M35-M40 HydrophobicContact SD-CG 4.04Å
36T53.5Low49.4Very low79 Ų79121.7 Ų121.749%0.48572%0.715SS.*  trans-58.1145.6171.743.80000110D34 E38 Q39D34-T36 PolarHBondContact O-N 3.42Å; T36-E38 PolarHBondContact O-N 3.25Å; T36-Q39 PolarHBondContact O-N 2.91Å
37P53.3Low49.5Very low124 Ų124123.2 Ų123.281%0.80572%0.718SS**THydrogen-bonded Turntrans-59.8-13.3-175.9-21.431.4000114.6
38E53.9Low49.8Very low171 Ų171122.1 Ų122.180%0.79972%0.715SS**THydrogen-bonded Turntrans-84.9-10.8-175.4-65.1-174.4154.300113.9T36T36-E38 PolarHBondContact O-N 3.25Å
39Q46.8Very low49.6Very low125 Ų125120.1 Ų120.158%0.58471%0.711SS**SBendtrans-103.4-6-179.1-70.7-166.2-29.300115.7M35 T36 A41M35-Q39 HydrophobicContact CE-CB 4.21Å; T36-Q39 PolarHBondContact O-N 2.91Å; Q39-A41 PolarHBondContact O-N 3.28Å
40M46.8Very low49.3Very low148 Ų148123.2 Ų123.273%0.72971%0.713SS**THydrogen-bonded Turntrans-77.4-4.8167.2-77.7-169.6-176.100113.3M35M35-M40 HydrophobicContact CE-CG 3.8Å; M35-M40 HydrophobicContact SD-CE 3.85Å; M35-M40 HydrophobicContact SD-CG 4.04Å
41A54.1Low49.1Very low84 Ų84125.7 Ų125.769%0.69471%0.712SS**THydrogen-bonded Turntrans-88.85.2-176.900000114.7Q39Q39-A41 PolarHBondContact O-N 3.28Å
42T52.5Low48.9Very low101 Ų101129.3 Ų129.362%0.6271%0.712SS**SBendtrans-126.391.8-17650.50000111.1
43N54.2Low49Very low162 Ų162130 Ų13087%0.86671%0.713SS**SBendtrans149.918.4153-76.1-16.9000114.2N45N43-N45 PolarHBondContact O-N 3.44Å
44V48Very low49.4Very low117 Ų117131.9 Ų131.971%0.70971%0.709SS**  trans-94.284.4154-1590000106.9C46V44-C46 HydrophobicContact CG1-CB 4.05Å; V44-C46 WeakPolarHBondContact CG1-SG 3.43Å; V44-C46 PolarHBondContact O-N 3.03Å
45N51.3Low49.7Very low138 Ų138129.5 Ų129.574%0.73871%0.706SS**  trans-6674.5155.2-177.625.2000106.8N43 S47N43-N45 PolarHBondContact O-N 3.44Å; N45-S47 PolarHBondContact ND2-OG 2.83Å; N45-S47 PolarHBondContact O-N 2.77Å; N45-S47 PolarHBondContact OD1-N 3.43Å; N45-S47 PolarHBondContact OD1-OG 2.79Å
46C47.9Very low50.4Low106 Ų106131.5 Ų131.572%0.71671%0.708SS**  trans-73.267.8161-99.30000106V44 S48V44-C46 HydrophobicContact CG1-CB 4.05Å; V44-C46 WeakPolarHBondContact CG1-SG 3.43Å; V44-C46 PolarHBondContact O-N 3.03Å; C46-S48 PolarHBondContact O-N 2.9Å
47S51.3Low51Low79 Ų79132.1 Ų132.155%0.55271%0.709SS**  trans-6288.6148-7.20000103.5N45 P49N45-S47 PolarHBondContact ND2-OG 2.83Å; N45-S47 PolarHBondContact O-N 2.77Å; N45-S47 PolarHBondContact OD1-N 3.43Å; N45-S47 PolarHBondContact OD1-OG 2.79Å; S47-P49 VanDerWaalsContact O-N 3.12Å
48S58Low51.8Low85 Ų85131 Ų13159%0.59469%0.689SS**  trans-45.7126.6164-179.90000104.2C46 E50C46-S48 PolarHBondContact O-N 2.9Å; S48-E50 PolarHBondContact O-N 2.94Å
49P47.8Very low52.8Low102 Ų102124.1 Ų124.166%0.66266%0.657SS**  trans-49.9124.1161.9-15.426.9000103.6S47 R51S47-P49 VanDerWaalsContact O-N 3.12Å; P49-R51 PolarHBondContact O-N 2.65Å
50E46.8Very low54Low176 Ų176124.3 Ų124.382%0.82266%0.658SS**  trans-53.894.6161.8-78.1-179.3154.300103.7S48 H52S48-E50 PolarHBondContact O-N 2.94Å; E50-H52 PolarHBondContact O-N 2.76Å
51R48.3Very low55.1Low211 Ų211121.1 Ų121.180%0.79666%0.664SS**  trans-6496.2165.9-79.7-168.7-85.4150.3-7.9100.9P49 T53P49-R51 PolarHBondContact O-N 2.65Å; R51-T53 PolarHBondContact O-N 2.78Å
52H44.3Very low56.5Low170 Ų170118.3 Ų118.379%0.78764%0.642SS**  trans-39.4107.3152.8-90-102.3000104.5E50 R54E50-H52 PolarHBondContact O-N 2.76Å; H52-R54 PolarHBondContact O-N 2.7Å
53T44.5Very low58.4Low133 Ų133118.4 Ų118.482%0.81664%0.639SS**  trans-60.494172.8-52.50000103.2R51 S55R51-T53 PolarHBondContact O-N 2.78Å; T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 2.71Å
54R53.1Low60.3Low186 Ų186114.3 Ų114.370%0.70262%0.616SS**  trans-52.2111.5160.7-92.1-176.4172.7155-1.9102.6H52 Y56H52-R54 PolarHBondContact O-N 2.7Å; R54-Y56 HydrophobicContact CB-CD2 3.71Å; R54-Y56 HydrophobicContact CB-CE2 3.37Å; R54-Y56 VanDerWaalsContact CD-OH 3.31Å; R54-Y56 WeakPolarHBondContact CD-OH 3.27Å; R54-Y56 HydrophobicContact CG-CE2 4.31Å; R54-Y56 VanDerWaalsContact O-CD2 3.27Å; R54-Y56 WeakPolarHBondContact O-CD2 3.31Å; R54-Y56 PolarHBondContact O-N 2.86Å
55S48.8Very low62.6Low117 Ų117110.9 Ų110.982%0.81859%0.591SS**  trans-66.175172.2177.30000105.7T53 D57T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 2.71Å; S55-D57 PolarHBondContact O-N 2.9Å
56Y52.5Low64.8Low148 Ų148107.5 Ų107.558%0.5858%0.575SS**  trans-62.4125166.2-72.2-78.2000105R54 Y58R54-Y56 HydrophobicContact CB-CD2 3.71Å; R54-Y56 HydrophobicContact CB-CE2 3.37Å; R54-Y56 VanDerWaalsContact CD-OH 3.31Å; R54-Y56 WeakPolarHBondContact CD-OH 3.27Å; R54-Y56 HydrophobicContact CG-CE2 4.31Å; R54-Y56 VanDerWaalsContact O-CD2 3.27Å; R54-Y56 WeakPolarHBondContact O-CD2 3.31Å; R54-Y56 PolarHBondContact O-N 2.86Å; Y56-Y58 PolarHBondContact O-N 3.22Å
57D66.1Low67.2Low91 Ų91106 Ų10649%0.48755%0.554SS.*  trans-53.7133.3167.4-171.7-5.4000106.8S55 M59 E60S55-D57 PolarHBondContact O-N 2.9Å; D57-M59 PolarHBondContact O-N 3.33Å; D57-E60 HydrophobicContact CB-CB 4.05Å; D57-E60 HydrophobicContact CB-CG 3.71Å; D57-E60 PolarHBondContact O-N 2.85Å
58Y70.4Confident69.4Low101 Ų101103 Ų10340%0.39653%0.531SS..THydrogen-bonded Turntrans-53.1-20.2-174.1171.6-102.1000112.9Y56 V103 N138Y56-Y58 PolarHBondContact O-N 3.22Å; Y58-V103 HydrophobicContact CE1-CB 4.05Å; Y58-V103 HydrophobicContact CE1-CG1 3.9Å; Y58-V103 HydrophobicContact CE2-CB 4.03Å; Y58-V103 VanDerWaalsContact OH-CB 3.26Å; Y58-V103 WeakPolarHBondContact OH-CB 3.4Å; Y58-V103 WeakPolarHBondContact OH-CG2 3.22Å; Y58-N138 PolarHBondContact OH-ND2 2.73Å; Y58-N138 PolarHBondContact OH-OD1 3.36Å
59M75.1Confident71.4Confident27 Ų2799 Ų9913%0.13350%0.503CS..THydrogen-bonded Turntrans-102.4-5.9178.2-67.9-57.6-175.200115.5D57 R101 V103 A109 Y118 C133D57-M59 PolarHBondContact O-N 3.33Å; M59-R101 PolarHBondContact O-NH1 2.82Å; M59-V103 HydrophobicContact CE-CG1 4.14Å; M59-V103 HydrophobicContact SD-CG1 3.69Å; M59-A109 HydrophobicContact CE-CB 3.9Å; M59-A109 HydrophobicContact SD-CB 4.46Å; M59-Y118 HydrophobicContact CE-CE1 4.25Å; M59-C133 HydrophobicContact CE-CB 3.28Å; M59-C133 WeakPolarHBondContact CE-SG 3.14Å
60E73Confident73.8Confident128 Ų12895.6 Ų95.660%0.59848%0.477SS*.SBendtrans-90112.9-177.6-78.9176.9170.600111.4D57D57-E60 HydrophobicContact CB-CB 4.05Å; D57-E60 HydrophobicContact CB-CG 3.71Å; D57-E60 PolarHBondContact O-N 2.85Å
61G69.5Low76.3Confident82 Ų8287.2 Ų87.285%0.84544%0.438SS*.SBendtrans109.33.5163.200000117.5
62G83Confident78.6Confident24 Ų2481 Ų8125%0.24742%0.415CS..  trans-74.5152.8171.600000114.3T102G62-T102 VanDerWaalsContact CA-O 3.22Å; G62-T102 WeakPolarHBondContact CA-O 3.28Å
63D91.9Very high81.2Confident104 Ų10474 Ų7456%0.55638%0.384SS*.  trans-59.7139.2169.1-179.850.4000110.8R65 R101 T102D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; D63-R101 WeakPolarHBondContact O-CA 3.11Å; D63-T102 PolarHBondContact O-N 2.83Å
64I95Very high83.8Confident75 Ų7572.8 Ų72.839%0.38537%0.369SS..EExtended strand (participates in β ladder)trans-119.3123.1-174.5-61.2170.9000109.1E99 R101I64-E99 HydrophobicContact CG2-CG 3.4Å; I64-E99 VanDerWaalsContact CG2-CG 3.4Å; I64-R101 HydrophobicContact CG1-CG 4.25Å
65R96.5Very high86Confident46 Ų4666 Ų6617%0.17434%0.343CS..EExtended strand (participates in β ladder)trans-122.8116.8178.8-60.3170.8-66.5159.50.6109.6D63 R67 I100 E141D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; R65-R67 HydrophobicContact CB-CG 4.34Å; R65-I100 PolarHBondContact N-O 2.79Å; R65-I100 VanDerWaalsContact NH2-CG2 3.35Å; R65-I100 PolarHBondContact O-N 3.3Å; R65-E141 IonicContact CZ-OE1 2.66Å; R65-E141 IonicContact CZ-OE2 3.99Å; R65-E141 IonicContact NH1-OE1 2.72Å; R65-E141 PolarHBondContact NH1-OE1 3.27Å; R65-E141 IonicContact NH1-OE2 3.2Å; R65-E141 PolarHBondContact NH1-OE2 2.87Å; R65-E141 IonicContact NH2-OE1 3.48Å; R65-E141 IonicContact NH2-OE2 2.66Å; R65-E141 PolarHBondContact NH2-OE2 3.25Å
66V97.8Very high88.3Confident66 Ų6661.6 Ų61.640%0.431%0.309SS..EExtended strand (participates in β ladder)trans-89.3119.3173.1-173.20000109.5I97 M98 V113 I193V66-I97 HydrophobicContact CG1-CG2 3.47Å; V66-I97 VanDerWaalsContact CG1-CG2 3.47Å; V66-M98 CarbonylContact C-O 3.57Å; V66-M98 WeakPolarHBondContact CA-O 3.31Å; V66-V113 HydrophobicContact CG1-CG2 4.29Å; V66-I193 HydrophobicContact CG1-CD1 4.49Å; V66-I193 HydrophobicContact CG1-CG1 3.9Å
67R98Very high90.5Very high76 Ų7654.5 Ų54.529%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-146.5162.2-172-60.1-66.4169.263.4-0.3112.1R65 M98 I100 P190 M191R65-R67 HydrophobicContact CB-CG 4.34Å; R67-M98 PolarHBondContact N-O 2.72Å; R67-M98 PolarHBondContact O-N 2.91Å; R67-I100 HydrophobicContact CB-CD1 4.22Å; R67-I100 HydrophobicContact CG-CD1 4.33Å; R67-P190 HydrophobicContact CB-CB 4.31Å; R67-P190 HydrophobicContact CG-CB 4.19Å; R67-M191 CarbonylContact C-O 3.56Å; R67-M191 VanDerWaalsContact CA-O 3.25Å; R67-M191 WeakPolarHBondContact CA-O 3.36Å; R67-M191 WeakPolarHBondContact CB-O 3.34Å; R67-M191 VanDerWaalsContact CD-O 3.29Å; R67-M191 WeakPolarHBondContact CD-O 3.36Å
68R98.1Very high92.1Very high15 Ų1553.4 Ų53.46%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-95.4131159.2-70179.9-178102.8-0.4108.9F70 Y76 M91 N96 M191 I193R68-F70 PolarHBondContact O-N 2.66Å; R68-Y76 HydrophobicContact CB-CD1 3.91Å; R68-Y76 HydrophobicContact CB-CE1 4.07Å; R68-Y76 HydrophobicContact CG-CD1 4.43Å; R68-M91 PolarHBondContact NE-O 2.93Å; R68-N96 WeakPolarHBondContact CD-OD1 3.43Å; R68-N96 PolarHBondContact NE-OD1 3.05Å; R68-M191 HydrophobicContact CB-CB 4.47Å; R68-M191 PolarHBondContact N-O 3.21Å; R68-M191 PolarHBondContact O-N 3.35Å; R68-I193 HydrophobicContact CG-CD1 3.68Å
69L98.5Very high93.4Very high1 Ų148.6 Ų48.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-92.697.9174.7-70178.2000109.8L77 M98 I100 I110 Y151 F188 P190L69-L77 HydrophobicContact CB-CB 4.07Å; L69-L77 HydrophobicContact CD1-CD2 4.05Å; L69-L77 PolarHBondContact O-N 2.92Å; L69-M98 HydrophobicContact CD1-CG 4.39Å; L69-M98 HydrophobicContact CG-CG 4.46Å; L69-I100 HydrophobicContact CD2-CD1 3.79Å; L69-I100 HydrophobicContact CG-CD1 4.35Å; L69-I110 HydrophobicContact CD1-CD1 4.04Å; L69-I110 HydrophobicContact CD1-CG2 4Å; L69-Y151 HydrophobicContact CD1-CE2 4.35Å; L69-Y151 HydrophobicContact CD2-CE2 3.95Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.21Å; L69-F188 HydrophobicContact CB-CD1 4.03Å; L69-P190 HydrophobicContact CD2-CB 4.21Å; L69-P190 HydrophobicContact CD2-CG 4.25Å
70F98.4Very high94.5Very high30 Ų3048.7 Ų48.713%0.13225%0.253CS..EExtended strand (participates in β ladder)trans-90.2109.2-179.7-175-114.5000111.1R68 Q74 Y76 F188 L189 M191R68-F70 PolarHBondContact O-N 2.66Å; F70-Q74 HydrophobicContact CZ-CB 4.28Å; F70-Y76 HydrophobicContact CB-CD1 4.32Å; F70-Y76 HydrophobicContact CB-CE1 4.33Å; F70-Y76 AromaticContact CD2-CD1 3.97Å; F70-Y76 HydrophobicContact CD2-CD1 3.97Å; F70-Y76 HydrophobicContact CD2-CD2 4.1Å; F70-Y76 AromaticContact CD2-CE1 3.9Å; F70-Y76 HydrophobicContact CD2-CE1 3.9Å; F70-Y76 AromaticContact CD2-CE2 3.95Å; F70-Y76 HydrophobicContact CD2-CE2 3.95Å; F70-Y76 HydrophobicContact CD2-CG 4.1Å; F70-Y76 AromaticContact CD2-CZ 3.84Å; F70-Y76 HydrophobicContact CE2-CD2 4.38Å; F70-Y76 HydrophobicContact CE2-CE2 4.05Å; F70-Y76 HydrophobicContact CG-CE1 4.48Å; F70-F188 CarbonylContact O-C 3.47Å; F70-F188 WeakPolarHBondContact O-CA 3.34Å; F70-L189 PolarHBondContact N-O 3.47Å; F70-L189 PolarHBondContact O-N 3.19Å; F70-M191 HydrophobicContact CB-CE 3.7Å; F70-M191 HydrophobicContact CB-CG 4.24Å; F70-M191 HydrophobicContact CB-SD 3.94Å; F70-M191 HydrophobicContact CD1-SD 4.42Å; F70-M191 HydrophobicContact CD2-CE 4.43Å; F70-M191 HydrophobicContact CG-CE 4.06Å; F70-M191 HydrophobicContact CG-SD 4.29Å
71C98.7Very high95.7Very high0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-69141.9176.3-167.60000110.6T73 Q74 W75 L167 T185 H187 F188C71-T73 PolarHBondContact O-N 3.47Å; C71-T73 PolarHBondContact SG-OG1 3.23Å; C71-Q74 PolarHBondContact O-N 2.86Å; C71-W75 VanDerWaalsContact CB-O 3.25Å; C71-W75 WeakPolarHBondContact CB-O 3.34Å; C71-W75 PolarHBondContact N-O 2.75Å; C71-L167 HydrophobicContact CB-CB 4.35Å; C71-L167 HydrophobicContact CB-CD1 4.16Å; C71-T185 PolarHBondContact SG-O 2.95Å; C71-T185 VanDerWaalsContact SG-O 3.34Å; C71-H187 CarbonylContact C-O 3.45Å; C71-H187 WeakPolarHBondContact CA-O 3.35Å; C71-F188 HydrophobicContact CB-CD1 3.79Å; C71-F188 HydrophobicContact CB-CE1 3.52Å; C71-F188 HydrophobicContact CB-CZ 4.04Å
72R98.4Very high97.1Very high81 Ų8155.9 Ų55.931%0.30625%0.253SS..THydrogen-bonded Turntrans-57.9-18.7176.4-166.5169.3-175.6-178.97.6113.3Q74 N146 Y148 K184 H187R72-Q74 PolarHBondContact O-N 3.26Å; R72-Q74 PolarHBondContact O-NE2 3.04Å; R72-Q74 VanDerWaalsContact O-NE2 3.14Å; R72-N146 PolarHBondContact NH1-ND2 2.66Å; R72-Y148 HydrophobicContact CB-CD1 4.16Å; R72-Y148 HydrophobicContact CB-CE1 3.66Å; R72-Y148 HydrophobicContact CG-CE1 3.91Å; R72-K184 HydrophobicContact CB-CB 4.43Å; R72-K184 HydrophobicContact CG-CB 4.34Å; R72-H187 HydrophobicContact CB-CB 3.92Å; R72-H187 PolarHBondContact N-O 3.01Å; R72-H187 PolarHBondContact NH1-ND1 2.85Å
73T98.6Very high97.7Very high22 Ų2255.3 Ų55.314%0.13525%0.247CC..THydrogen-bonded Turntrans-75.510170.857.10000114.6C71 L167 N168 T185C71-T73 PolarHBondContact O-N 3.47Å; C71-T73 PolarHBondContact SG-OG1 3.23Å; T73-L167 WeakPolarHBondContact CG2-O 3.49Å; T73-L167 PolarHBondContact OG1-O 2.98Å; T73-N168 PolarHBondContact OG1-O 3.42Å; T73-T185 HydrophobicContact CG2-CG2 4.03Å
74Q98.4Very high98Very high108 Ų10855.7 Ų55.751%0.50524%0.243SC..THydrogen-bonded Turntrans71.738.3178-47.5-60.7-61.500114F70 C71 R72F70-Q74 HydrophobicContact CZ-CB 4.28Å; C71-Q74 PolarHBondContact O-N 2.86Å; R72-Q74 PolarHBondContact O-N 3.26Å; R72-Q74 PolarHBondContact O-NE2 3.04Å; R72-Q74 VanDerWaalsContact O-NE2 3.14Å
75W98.6Very high98.2Very high43 Ų4352.6 Ų52.616%0.16323%0.228CC..EExtended strand (participates in β ladder)trans-133.7132.5179.1-6793.7000111.1C71 T88 Q89 L167 Q169 G171C71-W75 VanDerWaalsContact CB-O 3.25Å; C71-W75 WeakPolarHBondContact CB-O 3.34Å; C71-W75 PolarHBondContact N-O 2.75Å; W75-T88 VanDerWaalsContact CE3-C 3.47Å; W75-Q89 HydrophobicContact CD2-CG 4.11Å; W75-Q89 HydrophobicContact CE3-CG 3.73Å; W75-Q89 HydrophobicContact CH2-CG 3.92Å; W75-Q89 HydrophobicContact CZ2-CG 4.28Å; W75-Q89 HydrophobicContact CZ3-CB 4.33Å; W75-Q89 HydrophobicContact CZ3-CG 3.64Å; W75-L167 HydrophobicContact CB-CD1 4Å; W75-Q169 PolarHBondContact NE1-O 3.04Å; W75-G171 VanDerWaalsContact CD2-CA 3.46Å
76Y98.7Very high98.3Very high25 Ų2554.7 Ų54.710%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-76.2130166-63.3-88.2000109.9R68 F70 R78 G87 T88 M91 M191R68-Y76 HydrophobicContact CB-CD1 3.91Å; R68-Y76 HydrophobicContact CB-CE1 4.07Å; R68-Y76 HydrophobicContact CG-CD1 4.43Å; F70-Y76 HydrophobicContact CB-CD1 4.32Å; F70-Y76 HydrophobicContact CB-CE1 4.33Å; F70-Y76 AromaticContact CD2-CD1 3.97Å; F70-Y76 HydrophobicContact CD2-CD1 3.97Å; F70-Y76 HydrophobicContact CD2-CD2 4.1Å; F70-Y76 AromaticContact CD2-CE1 3.9Å; F70-Y76 HydrophobicContact CD2-CE1 3.9Å; F70-Y76 AromaticContact CD2-CE2 3.95Å; F70-Y76 HydrophobicContact CD2-CE2 3.95Å; F70-Y76 HydrophobicContact CD2-CG 4.1Å; F70-Y76 AromaticContact CD2-CZ 3.84Å; F70-Y76 HydrophobicContact CE2-CD2 4.38Å; F70-Y76 HydrophobicContact CE2-CE2 4.05Å; F70-Y76 HydrophobicContact CG-CE1 4.48Å; Y76-R78 PolarHBondContact O-N 2.84Å; Y76-G87 CarbonylContact O-C 3.46Å; Y76-G87 VanDerWaalsContact O-CA 3.24Å; Y76-G87 WeakPolarHBondContact O-CA 3.02Å; Y76-T88 WeakPolarHBondContact CB-O 3.34Å; Y76-T88 WeakPolarHBondContact CD2-O 3.37Å; Y76-T88 PolarHBondContact N-O 2.73Å; Y76-T88 PolarHBondContact O-N 3.08Å; Y76-M91 HydrophobicContact CE2-CB 4.08Å; Y76-M191 HydrophobicContact CD1-CE 4.21Å; Y76-M191 HydrophobicContact CE1-CE 3.19Å; Y76-M191 WeakPolarHBondContact OH-CE 3.42Å
77L98.8Very high98.3Very high0 Ų052.1 Ų52.10%023%0.226CC..EExtended strand (participates in β ladder)trans-61134.6168.1-172.867.1000109.2L69 V85 N96 M98 L119 L167 F188L69-L77 HydrophobicContact CB-CB 4.07Å; L69-L77 HydrophobicContact CD1-CD2 4.05Å; L69-L77 PolarHBondContact O-N 2.92Å; L77-V85 HydrophobicContact CD1-CG1 3.81Å; L77-N96 WeakPolarHBondContact O-CA 3.1Å; L77-M98 HydrophobicContact CB-CE 4.36Å; L77-M98 HydrophobicContact CG-CE 4.17Å; L77-M98 WeakPolarHBondContact O-CE 3.42Å; L77-L119 HydrophobicContact CD2-CD2 3.95Å; L77-L167 HydrophobicContact CD1-CD1 4.15Å; L77-L167 HydrophobicContact CD1-CD2 4.23Å; L77-L167 HydrophobicContact CD1-CG 4.39Å; L77-F188 HydrophobicContact CB-CE1 4.27Å
78R98.4Very high98.3Very high67 Ų6749 Ų4925%0.25322%0.215SC..EExtended strand (participates in β ladder)trans-135.4138.5-178.7178.2-174167.4-167.1-1.4109.9Y76 V85 K86 T88 Y95Y76-R78 PolarHBondContact O-N 2.84Å; R78-V85 WeakPolarHBondContact O-CA 3.27Å; R78-K86 WeakPolarHBondContact CA-O 3.27Å; R78-K86 WeakPolarHBondContact CB-O 2.99Å; R78-K86 PolarHBondContact N-O 2.9Å; R78-K86 PolarHBondContact O-N 2.93Å; R78-K86 VanDerWaalsContact O-O 3.08Å; R78-T88 HydrophobicContact CB-CG2 3.96Å; R78-T88 HydrophobicContact CG-CG2 4.42Å; R78-Y95 WeakPolarHBondContact CA-O 3.2Å; R78-Y95 WeakPolarHBondContact CG-O 3.49Å
79I98.7Very high98.3Very high0 Ų054.3 Ų54.30%024%0.24CC..EExtended strand (participates in β ladder)trans-122.5108.7168.5-52.7176.1000107.2V85 Y95 M98 S115 F117 L119 A129I79-V85 HydrophobicContact CG1-CG2 4.35Å; I79-Y95 PolarHBondContact N-O 2.84Å; I79-Y95 VanDerWaalsContact N-O 3.11Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; I79-M98 HydrophobicContact CD1-SD 4.29Å; I79-M98 HydrophobicContact CG1-CE 4.08Å; I79-M98 HydrophobicContact CG1-SD 4.45Å; I79-S115 VanDerWaalsContact O-CB 3.25Å; I79-S115 WeakPolarHBondContact O-CB 3.39Å; I79-S115 PolarHBondContact O-OG 3.2Å; I79-F117 HydrophobicContact CG2-CB 3.84Å; I79-L119 HydrophobicContact CD1-CB 4.1Å; I79-L119 HydrophobicContact CD1-CD1 4.44Å; I79-A129 HydrophobicContact CG2-CB 3.65Å
80D97.8Very high98.1Very high30 Ų3059.9 Ų59.916%0.1627%0.266CS..  trans-75.5173.8-176.775.914.8000113.2R82 G83 K84 S115D80-R82 PolarHBondContact O-N 3.18Å; D80-R82 WeakPolarHBondContact OD1-CA 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.23Å; D80-R82 PolarHBondContact OD1-N 3.31Å; D80-G83 PolarHBondContact O-N 2.87Å; D80-G83 PolarHBondContact OD1-N 3.06Å; D80-K84 PolarHBondContact N-O 3.42Å; D80-K84 VanDerWaalsContact N-O 3.13Å; D80-K84 WeakPolarHBondContact OD1-CB 3.4Å; D80-K84 PolarHBondContact OD1-N 3.45Å; D80-K84 WeakPolarHBondContact OD2-CB 3.41Å; D80-S115 WeakPolarHBondContact O-CB 3.04Å
81K97.9Very high97.8Very high146 Ų14662.4 Ų62.464%0.63528%0.28SS*.THydrogen-bonded Turntrans-57.2-16.4178.166.9-178.3-178.5179.90115.5Y95K81-Y95 HydrophobicContact CB-CE1 3.92Å
82R97.8Very high97.4Very high214 Ų21471.8 Ų71.881%0.80832%0.32SS*.THydrogen-bonded Turntrans-98.45.2177-60.8-176.7177.6178.20.3111.9D80 K84D80-R82 PolarHBondContact O-N 3.18Å; D80-R82 WeakPolarHBondContact OD1-CA 3.28Å; D80-R82 WeakPolarHBondContact OD1-CB 3.23Å; D80-R82 PolarHBondContact OD1-N 3.31Å; R82-K84 VanDerWaalsContact C-N 3.34Å
83G97.1Very high97.1Very high12 Ų1269 Ų6912%0.12431%0.311CS..  trans76.717.9-176.700000113.6D80 V85 A129D80-G83 PolarHBondContact O-N 2.87Å; D80-G83 PolarHBondContact OD1-N 3.06Å; G83-V85 PolarHBondContact O-N 2.79Å; G83-A129 WeakPolarHBondContact O-CB 3.37Å
84K98.2Very high97Very high112 Ų11272.1 Ų72.149%0.48733%0.327SS..  trans-83.3120.2178.8-170.3175.1-179.4169.60110.4D80 R82 K86D80-K84 PolarHBondContact N-O 3.42Å; D80-K84 VanDerWaalsContact N-O 3.13Å; D80-K84 WeakPolarHBondContact OD1-CB 3.4Å; D80-K84 PolarHBondContact OD1-N 3.45Å; D80-K84 WeakPolarHBondContact OD2-CB 3.41Å; R82-K84 VanDerWaalsContact C-N 3.34Å; K84-K86 VanDerWaalsContact CE-CE 3.4Å; K84-K86 HydrophobicContact CG-CG 4.41Å
85V98.7Very high97Very high11 Ų1169.5 Ų69.57%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-84.7122.5175.8-172.70000109.8L77 R78 I79 G83 L119 L127 A129 P173L77-V85 HydrophobicContact CD1-CG1 3.81Å; R78-V85 WeakPolarHBondContact O-CA 3.27Å; I79-V85 HydrophobicContact CG1-CG2 4.35Å; G83-V85 PolarHBondContact O-N 2.79Å; V85-L119 HydrophobicContact CB-CD1 4.46Å; V85-L119 HydrophobicContact CG1-CD1 3.73Å; V85-L119 HydrophobicContact CG2-CD1 3.85Å; V85-L127 HydrophobicContact CG1-CB 4.48Å; V85-A129 HydrophobicContact CG2-CB 4.01Å; V85-P173 HydrophobicContact CB-CG 4.43Å; V85-P173 HydrophobicContact CG1-CG 4.25Å; V85-P173 WeakPolarHBondContact O-CG 3.26Å
86K98.2Very high96.9Very high89 Ų8967.5 Ų67.539%0.38731%0.306SS..EExtended strand (participates in β ladder)trans-154.2172.8174.9-80.6-164.3165.1-172.40111.2R78 K84R78-K86 WeakPolarHBondContact CA-O 3.27Å; R78-K86 WeakPolarHBondContact CB-O 2.99Å; R78-K86 PolarHBondContact N-O 2.9Å; R78-K86 PolarHBondContact O-N 2.93Å; R78-K86 VanDerWaalsContact O-O 3.08Å; K84-K86 VanDerWaalsContact CE-CE 3.4Å; K84-K86 HydrophobicContact CG-CG 4.41Å
87G98.4Very high96.9Very high13 Ų1367.5 Ų67.513%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-82.1148.4162.600000112.1Y76 G171Y76-G87 CarbonylContact O-C 3.46Å; Y76-G87 VanDerWaalsContact O-CA 3.24Å; Y76-G87 WeakPolarHBondContact O-CA 3.02Å; G87-G171 WeakPolarHBondContact CA-O 3.4Å; G87-G171 PolarHBondContact N-O 3.49Å
88T98.1Very high96.9Very high10 Ų1067.5 Ų67.56%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-129.2149.5162.6-1720000110.4W75 Y76 R78 E90 N96W75-T88 VanDerWaalsContact CE3-C 3.47Å; Y76-T88 WeakPolarHBondContact CB-O 3.34Å; Y76-T88 WeakPolarHBondContact CD2-O 3.37Å; Y76-T88 PolarHBondContact N-O 2.73Å; Y76-T88 PolarHBondContact O-N 3.08Å; R78-T88 HydrophobicContact CB-CG2 3.96Å; R78-T88 HydrophobicContact CG-CG2 4.42Å; T88-E90 PolarHBondContact OG1-N 2.58Å; T88-N96 HydrophobicContact CG2-CB 3.99Å
89Q97Very high96.9Very high126 Ų12666 Ų6659%0.58930%0.303SS*.  trans-93.6-13.4169.9-78.3173.6-33.600111.9W75 M91W75-Q89 HydrophobicContact CD2-CG 4.11Å; W75-Q89 HydrophobicContact CE3-CG 3.73Å; W75-Q89 HydrophobicContact CH2-CG 3.92Å; W75-Q89 HydrophobicContact CZ2-CG 4.28Å; W75-Q89 HydrophobicContact CZ3-CB 4.33Å; W75-Q89 HydrophobicContact CZ3-CG 3.64Å; Q89-M91 PolarHBondContact O-N 2.76Å; Q89-M91 VanDerWaalsContact O-N 3.14Å
90E95.5Very high96.8Very high118 Ų11866 Ų6655%0.55130%0.303SS*.  trans-72105.8177.9-64.1166.6-165.100110.3T88 N93 N96T88-E90 PolarHBondContact OG1-N 2.58Å; E90-N93 HydrophobicContact CB-CB 3.89Å; E90-N93 WeakPolarHBondContact O-CB 3.36Å; E90-N93 PolarHBondContact O-N 3.07Å; E90-N93 PolarHBondContact OE2-ND2 3.31Å; E90-N96 PolarHBondContact O-ND2 2.87Å
91M91.4Very high96.8Very high84 Ų8467 Ų6741%0.41431%0.305SS..THydrogen-bonded Turntrans-64.1-40.1177.8-179.8-176.916900112.5R68 Y76 Q89 N93 N96R68-M91 PolarHBondContact NE-O 2.93Å; Y76-M91 HydrophobicContact CE2-CB 4.08Å; Q89-M91 PolarHBondContact O-N 2.76Å; Q89-M91 VanDerWaalsContact O-N 3.14Å; M91-N93 PolarHBondContact O-N 3.18Å; M91-N96 PolarHBondContact O-ND2 2.81Å
92K90.9Very high96.7Very high196 Ų19662 Ų6285%0.85229%0.287SS*.THydrogen-bonded Turntrans-787.3-176.9-62.6-172.3178.7-176.30114.3N94K92-N94 PolarHBondContact O-N 3.26Å
93N91.9Very high96.6Very high22 Ų2253.1 Ų53.112%0.11826%0.256CS..  trans-81.3114.3-178.7-169.8-43.3000110.8E90 M91 Y95 N96E90-N93 HydrophobicContact CB-CB 3.89Å; E90-N93 WeakPolarHBondContact O-CB 3.36Å; E90-N93 PolarHBondContact O-N 3.07Å; E90-N93 PolarHBondContact OE2-ND2 3.31Å; M91-N93 PolarHBondContact O-N 3.18Å; N93-Y95 PolarHBondContact O-N 3.21Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.43Å; N93-Y95 WeakPolarHBondContact OD1-CD2 3.21Å; N93-Y95 PolarHBondContact OD1-N 2.99Å; N93-N96 WeakPolarHBondContact O-CB 3.23Å; N93-N96 PolarHBondContact O-N 2.9Å; N93-N96 PolarHBondContact O-ND2 3.02Å; N93-N96 PolarHBondContact O-OD1 3.34Å
94N95.8Very high96.4Very high88 Ų8855 Ų5547%0.47127%0.27SS..G310 helixtrans-58.7-24.5-177-65.2-9.4000114K92 N96 I97 E114K92-N94 PolarHBondContact O-N 3.26Å; N94-N96 PolarHBondContact O-N 3.01Å; N94-I97 PolarHBondContact O-N 2.76Å; N94-E114 HydrophobicContact CB-CB 4.23Å; N94-E114 HydrophobicContact CB-CG 4.13Å
95Y98.1Very high96.2Very high54 Ų5456.8 Ų56.821%0.21229%0.29CS..G310 helixtrans-72-3.5176.4-64-66.9000114.2R78 I79 K81 N93 E114R78-Y95 WeakPolarHBondContact CA-O 3.2Å; R78-Y95 WeakPolarHBondContact CG-O 3.49Å; I79-Y95 PolarHBondContact N-O 2.84Å; I79-Y95 VanDerWaalsContact N-O 3.11Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; K81-Y95 HydrophobicContact CB-CE1 3.92Å; N93-Y95 PolarHBondContact O-N 3.21Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.43Å; N93-Y95 WeakPolarHBondContact OD1-CD2 3.21Å; N93-Y95 PolarHBondContact OD1-N 2.99Å; Y95-E114 HydrophobicContact CD1-CB 3.91Å; Y95-E114 HydrophobicContact CD1-CG 3.68Å; Y95-E114 HydrophobicContact CE1-CB 4.1Å; Y95-E114 HydrophobicContact CE1-CG 3.4Å; Y95-E114 HydrophobicContact CG-CG 4.4Å
96N98.1Very high96Very high0 Ų058.2 Ų58.20%031%0.307CS..G310 helixtrans-96.70.9174.678.216.4000113.8R68 L77 T88 E90 M91 N93 N94R68-N96 WeakPolarHBondContact CD-OD1 3.43Å; R68-N96 PolarHBondContact NE-OD1 3.05Å; L77-N96 WeakPolarHBondContact O-CA 3.1Å; T88-N96 HydrophobicContact CG2-CB 3.99Å; E90-N96 PolarHBondContact O-ND2 2.87Å; M91-N96 PolarHBondContact O-ND2 2.81Å; N93-N96 WeakPolarHBondContact O-CB 3.23Å; N93-N96 PolarHBondContact O-N 2.9Å; N93-N96 PolarHBondContact O-ND2 3.02Å; N93-N96 PolarHBondContact O-OD1 3.34Å; N94-N96 PolarHBondContact O-N 3.01Å
97I98.4Very high96Very high26 Ų2655.5 Ų55.513%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-87.3122.8177.8-56.7176.3000108.3V66 N94 V113 I193V66-I97 HydrophobicContact CG1-CG2 3.47Å; V66-I97 VanDerWaalsContact CG1-CG2 3.47Å; N94-I97 PolarHBondContact O-N 2.76Å; I97-V113 HydrophobicContact CB-CB 4.48Å; I97-V113 HydrophobicContact CG2-CB 4.11Å; I97-V113 HydrophobicContact CG2-CG2 3.84Å; I97-V113 PolarHBondContact O-N 3.27Å; I97-I193 HydrophobicContact CG1-CD1 4.25Å; I97-I193 HydrophobicContact CG2-CD1 4Å; I97-I193 HydrophobicContact CG2-CG1 4.35Å
98M98.4Very high96Very high0 Ų055 Ų550%029%0.291CS..EExtended strand (participates in β ladder)trans-118.4131.9-175.8-54.8-62.5165.700110.3V66 R67 L69 L77 I79 I110 K111V66-M98 CarbonylContact C-O 3.57Å; V66-M98 WeakPolarHBondContact CA-O 3.31Å; R67-M98 PolarHBondContact N-O 2.72Å; R67-M98 PolarHBondContact O-N 2.91Å; L69-M98 HydrophobicContact CD1-CG 4.39Å; L69-M98 HydrophobicContact CG-CG 4.46Å; L77-M98 HydrophobicContact CB-CE 4.36Å; L77-M98 HydrophobicContact CG-CE 4.17Å; L77-M98 WeakPolarHBondContact O-CE 3.42Å; I79-M98 HydrophobicContact CD1-SD 4.29Å; I79-M98 HydrophobicContact CG1-CE 4.08Å; I79-M98 HydrophobicContact CG1-SD 4.45Å; M98-I110 HydrophobicContact CB-CG2 3.98Å; M98-I110 HydrophobicContact CG-CG2 4.25Å; M98-I110 HydrophobicContact SD-CG2 4.39Å; M98-K111 CarbonylContact C-O 3.59Å; M98-K111 VanDerWaalsContact CA-O 3.27Å; M98-K111 WeakPolarHBondContact CA-O 3.38Å
99E97.9Very high96Very high34 Ų3454.6 Ų54.616%0.15929%0.288CS..EExtended strand (participates in β ladder)trans-83.9118.7161.2-173.4-177.2125.900108.2I64 R101 I110 K111 V113I64-E99 HydrophobicContact CG2-CG 3.4Å; I64-E99 VanDerWaalsContact CG2-CG 3.4Å; E99-R101 IonicContact OE1-CZ 3.3Å; E99-R101 IonicContact OE1-NE 3.49Å; E99-R101 PolarHBondContact OE1-NE 3.49Å; E99-R101 VanDerWaalsContact OE1-NE 3.13Å; E99-R101 IonicContact OE1-NH2 3.55Å; E99-R101 PolarHBondContact OE1-NH2 3.16Å; E99-I110 CarbonylContact O-C 3.6Å; E99-I110 WeakPolarHBondContact O-CA 3.48Å; E99-K111 HydrophobicContact CB-CB 4.37Å; E99-K111 PolarHBondContact N-O 2.86Å; E99-K111 PolarHBondContact O-N 3.46Å; E99-V113 HydrophobicContact CB-CG2 4.06Å
100I98Very high96.1Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-104.1110.3172.6-50.7172.1000106.7R65 R67 L69 V108 I110R65-I100 PolarHBondContact N-O 2.79Å; R65-I100 VanDerWaalsContact NH2-CG2 3.35Å; R65-I100 PolarHBondContact O-N 3.3Å; R67-I100 HydrophobicContact CB-CD1 4.22Å; R67-I100 HydrophobicContact CG-CD1 4.33Å; L69-I100 HydrophobicContact CD2-CD1 3.79Å; L69-I100 HydrophobicContact CG-CD1 4.35Å; I100-V108 HydrophobicContact CG2-CB 3.78Å; I100-V108 HydrophobicContact CG2-CG1 3.92Å; I100-V108 HydrophobicContact CG2-CG2 4.03Å; I100-I110 HydrophobicContact CG2-CG1 4.43Å
101R96.9Very high96.2Very high52 Ų5244.4 Ų44.420%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-107.1130.3179.8-177.6176.7-62.9-135.2-1.3110M59 D63 I64 E99 V108 A109M59-R101 PolarHBondContact O-NH1 2.82Å; D63-R101 WeakPolarHBondContact O-CA 3.11Å; I64-R101 HydrophobicContact CG1-CG 4.25Å; E99-R101 IonicContact OE1-CZ 3.3Å; E99-R101 IonicContact OE1-NE 3.49Å; E99-R101 PolarHBondContact OE1-NE 3.49Å; E99-R101 VanDerWaalsContact OE1-NE 3.13Å; E99-R101 IonicContact OE1-NH2 3.55Å; E99-R101 PolarHBondContact OE1-NH2 3.16Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 3.41Å; R101-V108 WeakPolarHBondContact O-CB 3.27Å; R101-A109 PolarHBondContact N-O 3.42Å; R101-A109 PolarHBondContact O-N 2.78Å
102T96.1Very high96.5Very high42 Ų4240.4 Ų40.426%0.25822%0.22SC..EExtended strand (participates in β ladder)trans-72.5127.6171.1-59.60000109.7G62 D63 A104G62-T102 VanDerWaalsContact CA-O 3.22Å; G62-T102 WeakPolarHBondContact CA-O 3.28Å; D63-T102 PolarHBondContact O-N 2.83Å; T102-A104 VanDerWaalsContact CG2-O 3.31Å; T102-A104 WeakPolarHBondContact CG2-O 3.47Å
103V94.8Very high96.9Very high26 Ų2633.7 Ų33.716%0.15820%0.196CC..EExtended strand (participates in β ladder)trans-110.2-28.4179.1-67.50000111.9Y58 M59 I107 A109Y58-V103 HydrophobicContact CE1-CB 4.05Å; Y58-V103 HydrophobicContact CE1-CG1 3.9Å; Y58-V103 HydrophobicContact CE2-CB 4.03Å; Y58-V103 VanDerWaalsContact OH-CB 3.26Å; Y58-V103 WeakPolarHBondContact OH-CB 3.4Å; Y58-V103 WeakPolarHBondContact OH-CG2 3.22Å; M59-V103 HydrophobicContact CE-CG1 4.14Å; M59-V103 HydrophobicContact SD-CG1 3.69Å; V103-I107 HydrophobicContact CG2-CB 3.81Å; V103-I107 HydrophobicContact CG2-CG2 3.46Å; V103-I107 VanDerWaalsContact CG2-CG2 3.46Å; V103-I107 VanDerWaalsContact CG2-O 3.3Å; V103-I107 WeakPolarHBondContact CG2-O 3.34Å; V103-I107 PolarHBondContact N-O 2.97Å; V103-A109 HydrophobicContact CG1-CB 3.83Å
104A93.6Very high97.2Very high51 Ų5137.4 Ų37.442%0.42121%0.213SC..EExtended strand (participates in β ladder)trans-154173.2169.100000108.6T102 G106 I107T102-A104 VanDerWaalsContact CG2-O 3.31Å; T102-A104 WeakPolarHBondContact CG2-O 3.47Å; A104-G106 PolarHBondContact O-N 2.83Å; A104-I107 HydrophobicContact CB-CB 4.12Å; A104-I107 HydrophobicContact CB-CG1 4.12Å; A104-I107 PolarHBondContact N-O 3Å; A104-I107 PolarHBondContact O-N 2.87Å
105V93.4Very high97.3Very high150 Ų15033.5 Ų33.591%0.90919%0.192SC*.THydrogen-bonded Turntrans-55.8118.4177.6179.80000110.2I107V105-I107 PolarHBondContact O-N 2.65Å
106G95.3Very high97.3Very high41 Ų4135 Ų3542%0.42320%0.201SC..THydrogen-bonded Turntrans71.81.1-178.500000115.3A104 K140 E141A104-G106 PolarHBondContact O-N 2.83Å; G106-K140 CarbonylContact O-C 3.45Å; G106-K140 WeakPolarHBondContact O-CA 3.19Å; G106-E141 PolarHBondContact O-N 2.94Å
107I97.8Very high97.3Very high33 Ų3336.6 Ų36.617%0.16921%0.208CC..EExtended strand (participates in β ladder)trans-111.2132.3177.3-47.1-60.5000109.2V103 A104 V105 N138 F139 K140 A154V103-I107 HydrophobicContact CG2-CB 3.81Å; V103-I107 HydrophobicContact CG2-CG2 3.46Å; V103-I107 VanDerWaalsContact CG2-CG2 3.46Å; V103-I107 VanDerWaalsContact CG2-O 3.3Å; V103-I107 WeakPolarHBondContact CG2-O 3.34Å; V103-I107 PolarHBondContact N-O 2.97Å; A104-I107 HydrophobicContact CB-CB 4.12Å; A104-I107 HydrophobicContact CB-CG1 4.12Å; A104-I107 PolarHBondContact N-O 3Å; A104-I107 PolarHBondContact O-N 2.87Å; V105-I107 PolarHBondContact O-N 2.65Å; I107-N138 HydrophobicContact CG2-CB 3.79Å; I107-F139 CarbonylContact C-O 3.59Å; I107-F139 WeakPolarHBondContact CA-O 3.49Å; I107-K140 HydrophobicContact CD1-CB 4.17Å; I107-K140 HydrophobicContact CD1-CG 3.46Å; I107-K140 VanDerWaalsContact CD1-CG 3.46Å; I107-A154 HydrophobicContact CD1-CB 4.14Å; I107-A154 HydrophobicContact CG2-CB 4.28Å
108V98.1Very high97.3Very high2 Ų236.7 Ų36.71%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-126.3150.5179.1-58.80000111.5I100 R101 I110 F139 E141 Y151I100-V108 HydrophobicContact CG2-CB 3.78Å; I100-V108 HydrophobicContact CG2-CG1 3.92Å; I100-V108 HydrophobicContact CG2-CG2 4.03Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 3.41Å; R101-V108 WeakPolarHBondContact O-CB 3.27Å; V108-I110 HydrophobicContact CG2-CD1 4.47Å; V108-I110 HydrophobicContact CG2-CG1 4.2Å; V108-F139 HydrophobicContact CG2-CB 4.3Å; V108-F139 PolarHBondContact N-O 2.86Å; V108-F139 PolarHBondContact O-N 3.09Å; V108-E141 HydrophobicContact CG1-CB 4.08Å; V108-E141 HydrophobicContact CG2-CB 4.05Å; V108-Y151 HydrophobicContact CG2-CD1 3.93Å; V108-Y151 HydrophobicContact CG2-CE1 3.99Å
109A98.3Very high97.4Very high1 Ų136.7 Ų36.71%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-104.1139.5160.400000108.7M59 R101 V103 Y118M59-A109 HydrophobicContact CE-CB 3.9Å; M59-A109 HydrophobicContact SD-CB 4.46Å; R101-A109 PolarHBondContact N-O 3.42Å; R101-A109 PolarHBondContact O-N 2.78Å; V103-A109 HydrophobicContact CG1-CB 3.83Å; A109-Y118 HydrophobicContact CB-CD1 4.26Å; A109-Y118 HydrophobicContact CB-CE1 4.35Å
110I98.7Very high97.4Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-117.3120.5-177.8-56.5168.7000108.1L69 M98 E99 I100 V108 Y118 L119 F139 Y151L69-I110 HydrophobicContact CD1-CD1 4.04Å; L69-I110 HydrophobicContact CD1-CG2 4Å; M98-I110 HydrophobicContact CB-CG2 3.98Å; M98-I110 HydrophobicContact CG-CG2 4.25Å; M98-I110 HydrophobicContact SD-CG2 4.39Å; E99-I110 CarbonylContact O-C 3.6Å; E99-I110 WeakPolarHBondContact O-CA 3.48Å; I100-I110 HydrophobicContact CG2-CG1 4.43Å; V108-I110 HydrophobicContact CG2-CD1 4.47Å; V108-I110 HydrophobicContact CG2-CG1 4.2Å; I110-Y118 CarbonylContact O-C 3.5Å; I110-Y118 WeakPolarHBondContact O-CA 3.35Å; I110-L119 HydrophobicContact CB-CB 4.21Å; I110-L119 HydrophobicContact CB-CD2 4.49Å; I110-L119 HydrophobicContact CD1-CD2 4.19Å; I110-L119 PolarHBondContact O-N 3.04Å; I110-F139 HydrophobicContact CD1-CD2 4.21Å; I110-F139 HydrophobicContact CG1-CD2 4.48Å; I110-Y151 HydrophobicContact CD1-CD1 3.81Å; I110-Y151 HydrophobicContact CD1-CE1 4.06Å; I110-Y151 HydrophobicContact CD1-CG 4.08Å
111K98.6Very high97.4Very high30 Ų3035.1 Ų35.113%0.1320%0.199CC..EExtended strand (participates in β ladder)trans-121.2133.6-178.2-172.4-172.9177.6-171.10110.4M98 E99 V113 E116 F117 Y118M98-K111 CarbonylContact C-O 3.59Å; M98-K111 VanDerWaalsContact CA-O 3.27Å; M98-K111 WeakPolarHBondContact CA-O 3.38Å; E99-K111 HydrophobicContact CB-CB 4.37Å; E99-K111 PolarHBondContact N-O 2.86Å; E99-K111 PolarHBondContact O-N 3.46Å; K111-V113 PolarHBondContact O-N 2.93Å; K111-E116 VanDerWaalsContact CE-CD 3.45Å; K111-E116 WeakPolarHBondContact CE-OE1 2.9Å; K111-E116 VanDerWaalsContact CE-OE2 3.29Å; K111-E116 WeakPolarHBondContact CE-OE2 3.24Å; K111-E116 VanDerWaalsContact NZ-CD 3.26Å; K111-E116 IonicContact NZ-OE1 2.83Å; K111-E116 PolarHBondContact NZ-OE1 3.38Å; K111-E116 IonicContact NZ-OE2 3.43Å; K111-E116 PolarHBondContact NZ-OE2 3.01Å; K111-F117 CarbonylContact C-O 3.56Å; K111-F117 WeakPolarHBondContact CA-O 3.44Å; K111-Y118 HydrophobicContact CB-CD1 3.8Å; K111-Y118 HydrophobicContact CB-CE1 3.82Å; K111-Y118 HydrophobicContact CB-CG 4.33Å; K111-Y118 HydrophobicContact CD-CE1 4Å; K111-Y118 HydrophobicContact CD-CE2 3.97Å; K111-Y118 HydrophobicContact CG-CD1 4.18Å; K111-Y118 HydrophobicContact CG-CD2 4.36Å; K111-Y118 HydrophobicContact CG-CE1 4.12Å; K111-Y118 HydrophobicContact CG-CE2 4.28Å; K111-Y118 HydrophobicContact CG-CG 4.31Å
112G98.6Very high97.5Very high0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-71.9121.616900000109.9E116 F117G112-E116 VanDerWaalsContact O-CA 3.3Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 3.25Å; G112-F117 PolarHBondContact N-O 3.46Å
113V98.1Very high97.6Very high56 Ų5638.4 Ų38.434%0.33921%0.213SC..THydrogen-bonded Turntrans-63.7-49.1-175.7175.60000111.1V66 I97 E99 K111V66-V113 HydrophobicContact CG1-CG2 4.29Å; I97-V113 HydrophobicContact CB-CB 4.48Å; I97-V113 HydrophobicContact CG2-CB 4.11Å; I97-V113 HydrophobicContact CG2-CG2 3.84Å; I97-V113 PolarHBondContact O-N 3.27Å; E99-V113 HydrophobicContact CB-CG2 4.06Å; K111-V113 PolarHBondContact O-N 2.93Å
114E97.9Very high97.8Very high100 Ų10041.8 Ų41.847%0.46723%0.227SC..THydrogen-bonded Turntrans-72.1-35-178.2-17765.5-157.600112.6N94 Y95N94-E114 HydrophobicContact CB-CB 4.23Å; N94-E114 HydrophobicContact CB-CG 4.13Å; Y95-E114 HydrophobicContact CD1-CB 3.91Å; Y95-E114 HydrophobicContact CD1-CG 3.68Å; Y95-E114 HydrophobicContact CE1-CB 4.1Å; Y95-E114 HydrophobicContact CE1-CG 3.4Å; Y95-E114 HydrophobicContact CG-CG 4.4Å
115S98.1Very high98Very high6 Ų639.3 Ų39.34%0.04221%0.207CC..THydrogen-bonded Turntrans-91.6-14.5-174.467.20000113.4I79 D80 F117 K131I79-S115 VanDerWaalsContact O-CB 3.25Å; I79-S115 WeakPolarHBondContact O-CB 3.39Å; I79-S115 PolarHBondContact O-OG 3.2Å; D80-S115 WeakPolarHBondContact O-CB 3.04Å; S115-F117 WeakPolarHBondContact O-CD2 3.42Å; S115-F117 PolarHBondContact O-N 3.18Å; S115-F117 VanDerWaalsContact O-N 3.16Å; S115-K131 PolarHBondContact O-NZ 2.89Å
116E98.3Very high98.3Very high85 Ų8538.2 Ų38.240%0.39719%0.19SC..THydrogen-bonded Turntrans55.926.5-177.7-66.9-70.193.500113.3K111 G112 K131K111-E116 VanDerWaalsContact CE-CD 3.45Å; K111-E116 WeakPolarHBondContact CE-OE1 2.9Å; K111-E116 VanDerWaalsContact CE-OE2 3.29Å; K111-E116 WeakPolarHBondContact CE-OE2 3.24Å; K111-E116 VanDerWaalsContact NZ-CD 3.26Å; K111-E116 IonicContact NZ-OE1 2.83Å; K111-E116 PolarHBondContact NZ-OE1 3.38Å; K111-E116 IonicContact NZ-OE2 3.43Å; K111-E116 PolarHBondContact NZ-OE2 3.01Å; G112-E116 VanDerWaalsContact O-CA 3.3Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 3.25Å; E116-K131 WeakPolarHBondContact O-CD 3.34Å; E116-K131 PolarHBondContact O-NZ 2.91Å
117F98.8Very high98.4Very high33 Ų3336.9 Ų36.915%0.14517%0.173CC..EExtended strand (participates in β ladder)trans-106.6135.2176.3-75.4-82.6000110.6I79 K111 G112 S115 A129 K130 K131I79-F117 HydrophobicContact CG2-CB 3.84Å; K111-F117 CarbonylContact C-O 3.56Å; K111-F117 WeakPolarHBondContact CA-O 3.44Å; G112-F117 PolarHBondContact N-O 3.46Å; S115-F117 WeakPolarHBondContact O-CD2 3.42Å; S115-F117 PolarHBondContact O-N 3.18Å; S115-F117 VanDerWaalsContact O-N 3.16Å; F117-A129 HydrophobicContact CB-CB 3.77Å; F117-A129 HydrophobicContact CD1-CB 4.27Å; F117-A129 HydrophobicContact CG-CB 4.2Å; F117-K130 CarbonylContact C-O 3.59Å; F117-K131 HydrophobicContact CD1-CD 3.79Å; F117-K131 HydrophobicContact CD1-CG 4.02Å; F117-K131 HydrophobicContact CE1-CD 3.75Å; F117-K131 HydrophobicContact CE1-CG 3.72Å; F117-K131 HydrophobicContact CE2-CD 4.48Å; F117-K131 HydrophobicContact CG-CD 4.17Å; F117-K131 HydrophobicContact CZ-CD 4.11Å; F117-K131 HydrophobicContact CZ-CG 4.35Å
118Y98.7Very high98.5Very high29 Ų2938.3 Ų38.311%0.11418%0.177CC..EExtended strand (participates in β ladder)trans-77.1136.3167.4-67-90.7000110.3M59 A109 I110 K111 A129 K130 K131 C133M59-Y118 HydrophobicContact CE-CE1 4.25Å; A109-Y118 HydrophobicContact CB-CD1 4.26Å; A109-Y118 HydrophobicContact CB-CE1 4.35Å; I110-Y118 CarbonylContact O-C 3.5Å; I110-Y118 WeakPolarHBondContact O-CA 3.35Å; K111-Y118 HydrophobicContact CB-CD1 3.8Å; K111-Y118 HydrophobicContact CB-CE1 3.82Å; K111-Y118 HydrophobicContact CB-CG 4.33Å; K111-Y118 HydrophobicContact CD-CE1 4Å; K111-Y118 HydrophobicContact CD-CE2 3.97Å; K111-Y118 HydrophobicContact CG-CD1 4.18Å; K111-Y118 HydrophobicContact CG-CD2 4.36Å; K111-Y118 HydrophobicContact CG-CE1 4.12Å; K111-Y118 HydrophobicContact CG-CE2 4.28Å; K111-Y118 HydrophobicContact CG-CG 4.31Å; Y118-A129 CarbonylContact O-C 3.59Å; Y118-A129 WeakPolarHBondContact O-CA 3.5Å; Y118-K130 PolarHBondContact N-O 2.83Å; Y118-K130 PolarHBondContact O-N 2.64Å; Y118-K131 VanDerWaalsContact CD2-O 3.28Å; Y118-K131 WeakPolarHBondContact CD2-O 3.47Å; Y118-K131 WeakPolarHBondContact CE2-O 3.43Å; Y118-C133 HydrophobicContact CD1-CB 3.93Å; Y118-C133 HydrophobicContact CD2-CB 3.84Å; Y118-C133 HydrophobicContact CE1-CB 4.01Å; Y118-C133 HydrophobicContact CE2-CB 3.94Å; Y118-C133 HydrophobicContact CG-CB 3.84Å
119L98.9Very high98.5Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-64.1137.1163.8-174.666.4000108.7L77 I79 V85 I110 L127 C137 F139 V165L77-L119 HydrophobicContact CD2-CD2 3.95Å; I79-L119 HydrophobicContact CD1-CB 4.1Å; I79-L119 HydrophobicContact CD1-CD1 4.44Å; V85-L119 HydrophobicContact CB-CD1 4.46Å; V85-L119 HydrophobicContact CG1-CD1 3.73Å; V85-L119 HydrophobicContact CG2-CD1 3.85Å; I110-L119 HydrophobicContact CB-CB 4.21Å; I110-L119 HydrophobicContact CB-CD2 4.49Å; I110-L119 HydrophobicContact CD1-CD2 4.19Å; I110-L119 PolarHBondContact O-N 3.04Å; L119-L127 HydrophobicContact CD1-CD2 4.38Å; L119-C137 WeakPolarHBondContact O-CA 3.41Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; L119-C137 PolarHBondContact O-SG 2.83Å; L119-F139 HydrophobicContact CB-CE2 4.12Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 4.01Å; L119-F139 HydrophobicContact CD2-CZ 4.05Å; L119-F139 HydrophobicContact CG-CE2 3.98Å; L119-F139 HydrophobicContact CG-CZ 3.9Å; L119-F139 WeakPolarHBondContact O-CE2 3.29Å; L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.84Å
120A98.8Very high98.5Very high0 Ų041.1 Ų41.10%019%0.192CC..EExtended strand (participates in β ladder)trans-141.8153.8179.200000110.8L127 Y128 K130 D136A120-L127 WeakPolarHBondContact O-CA 3.32Å; A120-Y128 HydrophobicContact CB-CD1 3.89Å; A120-Y128 HydrophobicContact CB-CD2 4.12Å; A120-Y128 HydrophobicContact CB-CE1 3.49Å; A120-Y128 VanDerWaalsContact CB-CE1 3.49Å; A120-Y128 HydrophobicContact CB-CE2 3.76Å; A120-Y128 HydrophobicContact CB-CG 4.19Å; A120-Y128 VanDerWaalsContact CB-CZ 3.43Å; A120-Y128 PolarHBondContact N-O 3.42Å; A120-Y128 WeakPolarHBondContact O-CD1 3.38Å; A120-Y128 PolarHBondContact O-N 3.19Å; A120-Y128 VanDerWaalsContact O-O 3.12Å; A120-K130 HydrophobicContact CB-CD 4.19Å; A120-K130 HydrophobicContact CB-CG 4.26Å; A120-D136 WeakPolarHBondContact CA-O 3.37Å; A120-D136 HydrophobicContact CB-CB 4.14Å
121M98.9Very high98.4Very high0 Ų046.4 Ų46.40%022%0.215CC..EExtended strand (participates in β ladder)trans-127.4131171.2-169.7-177.4-64.600109.7L127 D136 F139 W156 M163 F164M121-L127 HydrophobicContact CB-CD2 3.99Å; M121-L127 HydrophobicContact CE-CD2 3.55Å; M121-L127 HydrophobicContact CE-CG 4.33Å; M121-L127 HydrophobicContact CG-CD2 4.22Å; M121-D136 PolarHBondContact N-O 3.23Å; M121-D136 WeakPolarHBondContact O-CB 3.29Å; M121-F139 HydrophobicContact CB-CE1 4.08Å; M121-F139 HydrophobicContact CB-CZ 4.44Å; M121-W156 PolarHBondContact O-NE1 2.76Å; M121-M163 HydrophobicContact CE-CB 4.49Å; M121-M163 HydrophobicContact SD-CB 3.64Å; M121-M163 HydrophobicContact SD-CE 4.23Å; M121-F164 VanDerWaalsContact CE-C 3.47Å; M121-F164 WeakPolarHBondContact CE-O 3.38Å
122N98.6Very high98.2Very high33 Ų3352.5 Ų52.518%0.17624%0.244CC..  trans-91.4175.9177.174.12.1000112E124 G125 K126 Y128N122-E124 PolarHBondContact ND2-OE2 3.13Å; N122-E124 PolarHBondContact O-N 3.48Å; N122-E124 PolarHBondContact OD1-N 2.83Å; N122-E124 VanDerWaalsContact OD1-N 3.11Å; N122-E124 PolarHBondContact OD1-OE2 3.46Å; N122-G125 WeakPolarHBondContact O-CA 3.48Å; N122-G125 PolarHBondContact O-N 3.45Å; N122-G125 PolarHBondContact OD1-N 3.48Å; N122-K126 PolarHBondContact N-O 3.25Å; N122-K126 WeakPolarHBondContact OD1-CB 3.38Å; N122-K126 PolarHBondContact OD1-N 2.74Å; N122-K126 PolarHBondContact OD1-O 3.06Å; N122-Y128 HydrophobicContact CB-CD1 4.28Å; N122-Y128 HydrophobicContact CB-CE1 3.78Å
123K98.3Very high98.1Very high130 Ų13054 Ų5457%0.56525%0.254SS*.THydrogen-bonded Turntrans-57.9-27.6177.9-171.6177.8-178.9179.90113.9G125 W156 K177K123-G125 PolarHBondContact O-N 3.2Å; K123-W156 HydrophobicContact CB-CD2 3.93Å; K123-W156 HydrophobicContact CB-CE3 3.76Å; K123-W156 HydrophobicContact CB-CH2 4.02Å; K123-W156 HydrophobicContact CB-CZ2 4.17Å; K123-W156 HydrophobicContact CB-CZ3 3.82Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.32Å; K123-W156 HydrophobicContact CD-CZ3 3.83Å; K123-W156 HydrophobicContact CG-CD2 4.38Å; K123-W156 HydrophobicContact CG-CE3 3.75Å; K123-W156 HydrophobicContact CG-CH2 4.39Å; K123-W156 HydrophobicContact CG-CZ3 3.77Å; K123-K177 VanDerWaalsContact O-CE 3.23Å; K123-K177 WeakPolarHBondContact O-CE 3.42Å
124E98.2Very high97.9Very high97 Ų9754.5 Ų54.545%0.45326%0.255SS..THydrogen-bonded Turntrans-76.8-4.8175.3-62.369.5-13300112.9N122 K126 K177N122-E124 PolarHBondContact ND2-OE2 3.13Å; N122-E124 PolarHBondContact O-N 3.48Å; N122-E124 PolarHBondContact OD1-N 2.83Å; N122-E124 VanDerWaalsContact OD1-N 3.11Å; N122-E124 PolarHBondContact OD1-OE2 3.46Å; E124-K126 VanDerWaalsContact C-N 3.29Å; E124-K177 WeakPolarHBondContact O-CD 3.37Å; E124-K177 WeakPolarHBondContact O-CE 3.39Å
125G98.4Very high97.8Very high0 Ų054.9 Ų54.90%026%0.257CS..  trans75.416.2-173.700000112.7N122 K123 R175 G176N122-G125 WeakPolarHBondContact O-CA 3.48Å; N122-G125 PolarHBondContact O-N 3.45Å; N122-G125 PolarHBondContact OD1-N 3.48Å; K123-G125 PolarHBondContact O-N 3.2Å; G125-R175 CarbonylContact O-C 3.37Å; G125-R175 VanDerWaalsContact O-CA 3.29Å; G125-R175 WeakPolarHBondContact O-CA 3.29Å; G125-G176 PolarHBondContact O-N 2.97Å
126K98.6Very high97.8Very high126 Ų12655.5 Ų55.555%0.54826%0.26SS..  trans-80.6124.8176.1-178-177173.2-171.60108.8N122 E124N122-K126 PolarHBondContact N-O 3.25Å; N122-K126 WeakPolarHBondContact OD1-CB 3.38Å; N122-K126 PolarHBondContact OD1-N 2.74Å; N122-K126 PolarHBondContact OD1-O 3.06Å; E124-K126 VanDerWaalsContact C-N 3.29Å
127L98.8Very high97.8Very high14 Ų1451.4 Ų51.47%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-72.4134.3167.1-68179000110.2V85 L119 A120 M121 V165 P173V85-L127 HydrophobicContact CG1-CB 4.48Å; L119-L127 HydrophobicContact CD1-CD2 4.38Å; A120-L127 WeakPolarHBondContact O-CA 3.32Å; M121-L127 HydrophobicContact CB-CD2 3.99Å; M121-L127 HydrophobicContact CE-CD2 3.55Å; M121-L127 HydrophobicContact CE-CG 4.33Å; M121-L127 HydrophobicContact CG-CD2 4.22Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 3.91Å; L127-V165 HydrophobicContact CD2-CG2 4.1Å; L127-P173 HydrophobicContact CB-CB 4.28Å; L127-P173 HydrophobicContact CD1-CB 4.15Å
128Y98.7Very high97.8Very high62 Ų6250.7 Ų50.724%0.24324%0.238CC..EExtended strand (participates in β ladder)trans-146.9178.3176.371.4-77.8000109.3A120 N122 K130 D136A120-Y128 HydrophobicContact CB-CD1 3.89Å; A120-Y128 HydrophobicContact CB-CD2 4.12Å; A120-Y128 HydrophobicContact CB-CE1 3.49Å; A120-Y128 VanDerWaalsContact CB-CE1 3.49Å; A120-Y128 HydrophobicContact CB-CE2 3.76Å; A120-Y128 HydrophobicContact CB-CG 4.19Å; A120-Y128 VanDerWaalsContact CB-CZ 3.43Å; A120-Y128 PolarHBondContact N-O 3.42Å; A120-Y128 WeakPolarHBondContact O-CD1 3.38Å; A120-Y128 PolarHBondContact O-N 3.19Å; A120-Y128 VanDerWaalsContact O-O 3.12Å; N122-Y128 HydrophobicContact CB-CD1 4.28Å; N122-Y128 HydrophobicContact CB-CE1 3.78Å; Y128-K130 HydrophobicContact CE2-CB 4.14Å; Y128-K130 HydrophobicContact CE2-CD 4.01Å; Y128-K130 HydrophobicContact CE2-CG 4.32Å; Y128-D136 WeakPolarHBondContact OH-CB 3.42Å; Y128-D136 PolarHBondContact OH-OD2 3.45Å
129A98.6Very high97.8Very high18 Ų1849.3 Ų49.315%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-128.8147.2175.800000110.8I79 G83 V85 F117 Y118I79-A129 HydrophobicContact CG2-CB 3.65Å; G83-A129 WeakPolarHBondContact O-CB 3.37Å; V85-A129 HydrophobicContact CG2-CB 4.01Å; F117-A129 HydrophobicContact CB-CB 3.77Å; F117-A129 HydrophobicContact CD1-CB 4.27Å; F117-A129 HydrophobicContact CG-CB 4.2Å; Y118-A129 CarbonylContact O-C 3.59Å; Y118-A129 WeakPolarHBondContact O-CA 3.5Å
130K98.1Very high97.8Very high44 Ų4453.1 Ų53.119%0.19125%0.249CC..EExtended strand (participates in β ladder)trans-145.9155.8-179.666.4-178.3-51-134.50111.6F117 Y118 A120 Y128 E132 N134F117-K130 CarbonylContact C-O 3.59Å; Y118-K130 PolarHBondContact N-O 2.83Å; Y118-K130 PolarHBondContact O-N 2.64Å; A120-K130 HydrophobicContact CB-CD 4.19Å; A120-K130 HydrophobicContact CB-CG 4.26Å; Y128-K130 HydrophobicContact CE2-CB 4.14Å; Y128-K130 HydrophobicContact CE2-CD 4.01Å; Y128-K130 HydrophobicContact CE2-CG 4.32Å; K130-E132 VanDerWaalsContact CD-O 3.24Å; K130-E132 WeakPolarHBondContact CD-O 3.29Å; K130-E132 WeakPolarHBondContact CE-O 3.4Å; K130-E132 WeakPolarHBondContact CG-O 3.42Å; K130-E132 PolarHBondContact NZ-O 2.87Å; K130-N134 PolarHBondContact NZ-ND2 3.17Å; K130-N134 PolarHBondContact NZ-OD1 2.79Å
131K96.6Very high97.8Very high111 Ų11154.8 Ų54.848%0.48326%0.257SS..SBendtrans-78.2-43.6-177.9-72.2-60.4-164.2176.10112.6S115 E116 F117 Y118S115-K131 PolarHBondContact O-NZ 2.89Å; E116-K131 WeakPolarHBondContact O-CD 3.34Å; E116-K131 PolarHBondContact O-NZ 2.91Å; F117-K131 HydrophobicContact CD1-CD 3.79Å; F117-K131 HydrophobicContact CD1-CG 4.02Å; F117-K131 HydrophobicContact CE1-CD 3.75Å; F117-K131 HydrophobicContact CE1-CG 3.72Å; F117-K131 HydrophobicContact CE2-CD 4.48Å; F117-K131 HydrophobicContact CG-CD 4.17Å; F117-K131 HydrophobicContact CZ-CD 4.11Å; F117-K131 HydrophobicContact CZ-CG 4.35Å; Y118-K131 VanDerWaalsContact CD2-O 3.28Å; Y118-K131 WeakPolarHBondContact CD2-O 3.47Å; Y118-K131 WeakPolarHBondContact CE2-O 3.43Å
132E95.4Very high97.8Very high158 Ų15858.6 Ų58.674%0.73828%0.277SS*.SBendtrans-96.3121.6-180-68.7170.4-165.400110.1K130K130-E132 VanDerWaalsContact CD-O 3.24Å; K130-E132 WeakPolarHBondContact CD-O 3.29Å; K130-E132 WeakPolarHBondContact CE-O 3.4Å; K130-E132 WeakPolarHBondContact CG-O 3.42Å; K130-E132 PolarHBondContact NZ-O 2.87Å
133C94.8Very high97.8Very high31 Ų3162.8 Ų62.821%0.20930%0.298CS..  trans-76.5138.7-178.5-164.50000111.3M59 Y118 C137M59-C133 HydrophobicContact CE-CB 3.28Å; M59-C133 WeakPolarHBondContact CE-SG 3.14Å; Y118-C133 HydrophobicContact CD1-CB 3.93Å; Y118-C133 HydrophobicContact CD2-CB 3.84Å; Y118-C133 HydrophobicContact CE1-CB 4.01Å; Y118-C133 HydrophobicContact CE2-CB 3.94Å; Y118-C133 HydrophobicContact CG-CB 3.84Å; C133-C137 HydrophobicContact CB-CB 4.47Å; C133-C137 WeakPolarHBondContact SG-CB 3.38Å
134N94.6Very high97.8Very high68 Ų6857.5 Ų57.536%0.36428%0.276SS..  trans-140.7-165.3169.467.9-4000108.7K130 D136 C137K130-N134 PolarHBondContact NZ-ND2 3.17Å; K130-N134 PolarHBondContact NZ-OD1 2.79Å; N134-D136 PolarHBondContact O-N 3.11Å; N134-D136 WeakPolarHBondContact OD1-CB 3.49Å; N134-D136 PolarHBondContact OD1-N 2.83Å; N134-C137 WeakPolarHBondContact O-CB 3.4Å; N134-C137 PolarHBondContact O-N 2.86Å
135E96.3Very high97.7Very high108 Ų10862.2 Ų62.251%0.50530%0.298SS..G310 helixtrans-58.2-23.6-177.8-58.5172.217900115.1C137 N138 K155E135-C137 PolarHBondContact O-N 3.18Å; E135-N138 WeakPolarHBondContact O-CB 3.39Å; E135-N138 PolarHBondContact O-N 3.32Å; E135-K155 HydrophobicContact CB-CD 3.71Å; E135-K155 VanDerWaalsContact OE2-CD 3.28Å; E135-K155 WeakPolarHBondContact OE2-CD 3.08Å; E135-K155 WeakPolarHBondContact OE2-CE 3.46Å; E135-K155 IonicContact OE2-NZ 3.13Å; E135-K155 PolarHBondContact OE2-NZ 2.75Å
136D98.3Very high97.5Very high18 Ų1864.9 Ų64.910%0.09631%0.312CS..G310 helixtrans-67.9-20.9177.2-76.411.6000112.8A120 M121 Y128 N134 N138 W156A120-D136 WeakPolarHBondContact CA-O 3.37Å; A120-D136 HydrophobicContact CB-CB 4.14Å; M121-D136 PolarHBondContact N-O 3.23Å; M121-D136 WeakPolarHBondContact O-CB 3.29Å; Y128-D136 WeakPolarHBondContact OH-CB 3.42Å; Y128-D136 PolarHBondContact OH-OD2 3.45Å; N134-D136 PolarHBondContact O-N 3.11Å; N134-D136 WeakPolarHBondContact OD1-CB 3.49Å; N134-D136 PolarHBondContact OD1-N 2.83Å; D136-N138 VanDerWaalsContact C-N 3.34Å; D136-W156 PolarHBondContact OD1-NE1 3.49Å
137C98.4Very high97.3Very high0 Ų066.2 Ų66.20%032%0.32CS..G310 helixtrans-90.4-1.9-179.9-60.90000113.2L119 C133 N134 E135 F139L119-C137 WeakPolarHBondContact O-CA 3.41Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; L119-C137 PolarHBondContact O-SG 2.83Å; C133-C137 HydrophobicContact CB-CB 4.47Å; C133-C137 WeakPolarHBondContact SG-CB 3.38Å; N134-C137 WeakPolarHBondContact O-CB 3.4Å; N134-C137 PolarHBondContact O-N 2.86Å; E135-C137 PolarHBondContact O-N 3.18Å; C137-F139 WeakPolarHBondContact O-CD2 3.47Å; C137-F139 WeakPolarHBondContact O-CE2 3.29Å
138N98.4Very high97.3Very high18 Ų1867.8 Ų67.810%0.09633%0.325CS..EExtended strand (participates in β ladder)trans-86.4120.9-177.6-64.9-10.9000109.4Y58 I107 E135 D136 A154Y58-N138 PolarHBondContact OH-ND2 2.73Å; Y58-N138 PolarHBondContact OH-OD1 3.36Å; I107-N138 HydrophobicContact CG2-CB 3.79Å; E135-N138 WeakPolarHBondContact O-CB 3.39Å; E135-N138 PolarHBondContact O-N 3.32Å; D136-N138 VanDerWaalsContact C-N 3.34Å; N138-A154 HydrophobicContact CB-CB 3.74Å; N138-A154 WeakPolarHBondContact O-CB 3.05Å; N138-A154 PolarHBondContact O-N 3.37Å
139F98.9Very high97.3Very high0 Ų065.4 Ų65.40%032%0.317CS..EExtended strand (participates in β ladder)trans-120.1130.7177.7-57.9-80.3000111I107 V108 I110 L119 M121 C137 E141 Y151 A152 V165I107-F139 CarbonylContact C-O 3.59Å; I107-F139 WeakPolarHBondContact CA-O 3.49Å; V108-F139 HydrophobicContact CG2-CB 4.3Å; V108-F139 PolarHBondContact N-O 2.86Å; V108-F139 PolarHBondContact O-N 3.09Å; I110-F139 HydrophobicContact CD1-CD2 4.21Å; I110-F139 HydrophobicContact CG1-CD2 4.48Å; L119-F139 HydrophobicContact CB-CE2 4.12Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 4.01Å; L119-F139 HydrophobicContact CD2-CZ 4.05Å; L119-F139 HydrophobicContact CG-CE2 3.98Å; L119-F139 HydrophobicContact CG-CZ 3.9Å; L119-F139 WeakPolarHBondContact O-CE2 3.29Å; M121-F139 HydrophobicContact CB-CE1 4.08Å; M121-F139 HydrophobicContact CB-CZ 4.44Å; C137-F139 WeakPolarHBondContact O-CD2 3.47Å; C137-F139 WeakPolarHBondContact O-CE2 3.29Å; F139-E141 PolarHBondContact O-N 2.78Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; F139-A152 CarbonylContact C-O 3.54Å; F139-A152 WeakPolarHBondContact CA-O 3.38Å; F139-V165 HydrophobicContact CD1-CG2 3.66Å; F139-V165 HydrophobicContact CE1-CG2 3.49Å; F139-V165 VanDerWaalsContact CE1-CG2 3.49Å; F139-V165 HydrophobicContact CG-CG2 4.37Å; F139-V165 HydrophobicContact CZ-CG2 4.08Å
140K98.8Very high97.3Very high79 Ų7964.7 Ų64.734%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-68.7112.5165.7-60.8173.4-172.6177.40108.3G106 I107 Y151 A152 A154 E162G106-K140 CarbonylContact O-C 3.45Å; G106-K140 WeakPolarHBondContact O-CA 3.19Å; I107-K140 HydrophobicContact CD1-CB 4.17Å; I107-K140 HydrophobicContact CD1-CG 3.46Å; I107-K140 VanDerWaalsContact CD1-CG 3.46Å; K140-Y151 WeakPolarHBondContact O-CA 3.28Å; K140-A152 HydrophobicContact CB-CB 4.35Å; K140-A152 PolarHBondContact N-O 3.38Å; K140-A152 PolarHBondContact O-N 2.83Å; K140-A154 HydrophobicContact CG-CB 4.25Å; K140-E162 WeakPolarHBondContact CD-OE1 3.48Å; K140-E162 IonicContact NZ-OE1 2.9Å; K140-E162 PolarHBondContact NZ-OE1 3.31Å
141E98.6Very high97.4Very high36 Ų3662.6 Ų62.617%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-86.4124.5172.3-179.1176.6-138.200109R65 G106 V108 F139 N149 T150 Y151R65-E141 IonicContact CZ-OE1 2.66Å; R65-E141 IonicContact CZ-OE2 3.99Å; R65-E141 IonicContact NH1-OE1 2.72Å; R65-E141 PolarHBondContact NH1-OE1 3.27Å; R65-E141 IonicContact NH1-OE2 3.2Å; R65-E141 PolarHBondContact NH1-OE2 2.87Å; R65-E141 IonicContact NH2-OE1 3.48Å; R65-E141 IonicContact NH2-OE2 2.66Å; R65-E141 PolarHBondContact NH2-OE2 3.25Å; G106-E141 PolarHBondContact O-N 2.94Å; V108-E141 HydrophobicContact CG1-CB 4.08Å; V108-E141 HydrophobicContact CG2-CB 4.05Å; F139-E141 PolarHBondContact O-N 2.78Å; E141-N149 HydrophobicContact CG-CB 4.49Å; E141-N149 PolarHBondContact OE1-ND2 2.9Å; E141-T150 WeakPolarHBondContact CA-O 3.27Å; E141-Y151 HydrophobicContact CB-CD1 4.09Å; E141-Y151 HydrophobicContact CB-CE1 3.94Å; E141-Y151 HydrophobicContact CG-CD1 4.24Å; E141-Y151 HydrophobicContact CG-CE1 3.67Å; E141-Y151 PolarHBondContact OE1-OH 2.82Å
142L98.5Very high97.5Very high80 Ų8057.4 Ų57.442%0.41928%0.28SS..EExtended strand (participates in β ladder)trans-131.1129174.6-175.572.4000110.2L144 N149 T150L142-L144 HydrophobicContact CD2-CD2 4.33Å; L142-N149 CarbonylContact O-C 3.55Å; L142-N149 VanDerWaalsContact O-CA 3.23Å; L142-N149 WeakPolarHBondContact O-CA 3.43Å; L142-T150 PolarHBondContact N-O 3.27Å; L142-T150 PolarHBondContact O-N 2.92Å
143I98.3Very high97.6Very high120 Ų12050 Ų5062%0.61525%0.245SC*.EExtended strand (participates in β ladder)trans-80.7125.2170.6-52.4177.1000108
144L97.8Very high97.8Very high20 Ų2050.3 Ų50.311%0.10525%0.25CC..  trans-85.9161.4176.2-57.3-175.6000111L142 N146 H147 Y148 T150 K181L142-L144 HydrophobicContact CD2-CD2 4.33Å; L144-N146 WeakPolarHBondContact CB-OD1 3.17Å; L144-N146 PolarHBondContact O-N 3.49Å; L144-N146 VanDerWaalsContact O-N 3.08Å; L144-H147 PolarHBondContact O-N 3.01Å; L144-Y148 VanDerWaalsContact CB-O 3.28Å; L144-Y148 WeakPolarHBondContact CB-O 3.07Å; L144-Y148 WeakPolarHBondContact CG-O 3.25Å; L144-Y148 PolarHBondContact N-O 3.34Å; L144-T150 HydrophobicContact CD1-CG2 3.68Å; L144-T150 HydrophobicContact CD2-CG2 3.98Å; L144-T150 HydrophobicContact CG-CG2 3.95Å; L144-K181 HydrophobicContact CD2-CD 4.33Å; L144-K181 HydrophobicContact CD2-CG 4.1Å
145E96.2Very high98Very high195 Ų19551.2 Ų51.291%0.91125%0.25SS*.THydrogen-bonded Turntrans-57.2-25174.2-63.1173.1-175.300113.5H147E145-H147 VanDerWaalsContact C-N 3.25Å; E145-H147 PolarHBondContact O-N 2.85Å; E145-H147 PolarHBondContact O-ND1 3.42Å
146N94.4Very high98.1Very high57 Ų5748.7 Ų48.731%0.30524%0.236SC..THydrogen-bonded Turntrans-87.112.8176.464.926.7000113.7R72 L144 Y148 H187R72-N146 PolarHBondContact NH1-ND2 2.66Å; L144-N146 WeakPolarHBondContact CB-OD1 3.17Å; L144-N146 PolarHBondContact O-N 3.49Å; L144-N146 VanDerWaalsContact O-N 3.08Å; N146-Y148 WeakPolarHBondContact O-CD2 3.37Å; N146-Y148 PolarHBondContact O-N 2.75Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.41Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.25Å; N146-Y148 PolarHBondContact OD1-N 2.84Å; N146-H187 PolarHBondContact ND2-CE1 2.79Å; N146-H187 PolarHBondContact ND2-ND1 3.2Å
147H95.6Very high98.1Very high153 Ų15351.7 Ų51.771%0.70826%0.255SS*.SBendtrans67.19.9178.2-48.878.8000115.4L144 E145L144-H147 PolarHBondContact O-N 3.01Å; E145-H147 VanDerWaalsContact C-N 3.25Å; E145-H147 PolarHBondContact O-N 2.85Å; E145-H147 PolarHBondContact O-ND1 3.42Å
148Y98.5Very high98Very high47 Ų4754.8 Ų54.818%0.18427%0.27CS..  trans-91.1155.9166.6-71.5-103.9000110.2R72 L144 N146 H187 L189R72-Y148 HydrophobicContact CB-CD1 4.16Å; R72-Y148 HydrophobicContact CB-CE1 3.66Å; R72-Y148 HydrophobicContact CG-CE1 3.91Å; L144-Y148 VanDerWaalsContact CB-O 3.28Å; L144-Y148 WeakPolarHBondContact CB-O 3.07Å; L144-Y148 WeakPolarHBondContact CG-O 3.25Å; L144-Y148 PolarHBondContact N-O 3.34Å; N146-Y148 WeakPolarHBondContact O-CD2 3.37Å; N146-Y148 PolarHBondContact O-N 2.75Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.41Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.25Å; N146-Y148 PolarHBondContact OD1-N 2.84Å; Y148-H187 HydrophobicContact CD1-CB 3.8Å; Y148-H187 HydrophobicContact CG-CB 3.88Å; Y148-L189 HydrophobicContact CD1-CB 4.08Å; Y148-L189 HydrophobicContact CE1-CB 3.99Å
149N98.6Very high98Very high12 Ų1261.3 Ų61.36%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-97.4150171.3-62.610.4000110.3E141 L142 Y151 F188 P190E141-N149 HydrophobicContact CG-CB 4.49Å; E141-N149 PolarHBondContact OE1-ND2 2.9Å; L142-N149 CarbonylContact O-C 3.55Å; L142-N149 VanDerWaalsContact O-CA 3.23Å; L142-N149 WeakPolarHBondContact O-CA 3.43Å; N149-Y151 HydrophobicContact CB-CE2 4.09Å; N149-F188 PolarHBondContact N-O 2.82Å; N149-F188 PolarHBondContact O-N 2.9Å; N149-P190 WeakPolarHBondContact ND2-CG 3.33Å
150T98.8Very high97.8Very high3 Ų364.8 Ų64.82%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-113.3153.416355.40000109.8E141 L142 L144 K181E141-T150 WeakPolarHBondContact CA-O 3.27Å; L142-T150 PolarHBondContact N-O 3.27Å; L142-T150 PolarHBondContact O-N 2.92Å; L144-T150 HydrophobicContact CD1-CG2 3.68Å; L144-T150 HydrophobicContact CD2-CG2 3.98Å; L144-T150 HydrophobicContact CG-CG2 3.95Å; T150-K181 HydrophobicContact CG2-CG 4.45Å
151Y98.9Very high97.7Very high1 Ų162.7 Ų62.70%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-128.597.4178.1-59.9-81.5000108.5L69 V108 I110 F139 K140 E141 N149 F164 V165 F188L69-Y151 HydrophobicContact CD1-CE2 4.35Å; L69-Y151 HydrophobicContact CD2-CE2 3.95Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.21Å; V108-Y151 HydrophobicContact CG2-CD1 3.93Å; V108-Y151 HydrophobicContact CG2-CE1 3.99Å; I110-Y151 HydrophobicContact CD1-CD1 3.81Å; I110-Y151 HydrophobicContact CD1-CE1 4.06Å; I110-Y151 HydrophobicContact CD1-CG 4.08Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; K140-Y151 WeakPolarHBondContact O-CA 3.28Å; E141-Y151 HydrophobicContact CB-CD1 4.09Å; E141-Y151 HydrophobicContact CB-CE1 3.94Å; E141-Y151 HydrophobicContact CG-CD1 4.24Å; E141-Y151 HydrophobicContact CG-CE1 3.67Å; E141-Y151 PolarHBondContact OE1-OH 2.82Å; N149-Y151 HydrophobicContact CB-CE2 4.09Å; Y151-F164 CarbonylContact O-C 3.51Å; Y151-F164 WeakPolarHBondContact O-CA 3.4Å; Y151-V165 PolarHBondContact O-N 3.46Å; Y151-F188 HydrophobicContact CD2-CB 4.4Å; Y151-F188 HydrophobicContact CD2-CD2 4.23Å; Y151-F188 HydrophobicContact CD2-CG 4.5Å; Y151-F188 HydrophobicContact CE2-CB 3.9Å; Y151-F188 HydrophobicContact CE2-CG 4.4Å
152A98.9Very high97.7Very high2 Ų264.5 Ų64.52%0.01735%0.35CS..EExtended strand (participates in β ladder)trans-91.1144.4177.100000110.6F139 K140 A154 E162 M163 F164F139-A152 CarbonylContact C-O 3.54Å; F139-A152 WeakPolarHBondContact CA-O 3.38Å; K140-A152 HydrophobicContact CB-CB 4.35Å; K140-A152 PolarHBondContact N-O 3.38Å; K140-A152 PolarHBondContact O-N 2.83Å; A152-A154 PolarHBondContact O-N 3.4Å; A152-E162 HydrophobicContact CB-CB 4.1Å; A152-M163 CarbonylContact C-O 3.58Å; A152-M163 VanDerWaalsContact CA-O 3.27Å; A152-M163 WeakPolarHBondContact CA-O 3.3Å; A152-F164 HydrophobicContact CB-CD1 3.8Å; A152-F164 HydrophobicContact CB-CE1 3.68Å; A152-F164 HydrophobicContact CB-CZ 4.3Å
153S98.8Very high97.7Very high1 Ų160.7 Ų60.71%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-56.9128.1170-177.60000109.6K155 W156 M163S153-K155 VanDerWaalsContact C-N 3.3Å; S153-K155 PolarHBondContact OG-N 2.94Å; S153-W156 PolarHBondContact OG-N 3.32Å; S153-M163 PolarHBondContact N-O 2.93Å
154A98.4Very high97.8Very high38 Ų3855.4 Ų55.431%0.31430%0.302SS..EExtended strand (participates in β ladder)trans-70.4-32.3176.200000111.6I107 N138 K140 A152I107-A154 HydrophobicContact CD1-CB 4.14Å; I107-A154 HydrophobicContact CG2-CB 4.28Å; N138-A154 HydrophobicContact CB-CB 3.74Å; N138-A154 WeakPolarHBondContact O-CB 3.05Å; N138-A154 PolarHBondContact O-N 3.37Å; K140-A154 HydrophobicContact CG-CB 4.25Å; A152-A154 PolarHBondContact O-N 3.4Å
155K98Very high97.8Very high87 Ų8754.5 Ų54.538%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-91.7-44.6-176.7-178.7174-173.8166.20113.7E135 S153E135-K155 HydrophobicContact CB-CD 3.71Å; E135-K155 VanDerWaalsContact OE2-CD 3.28Å; E135-K155 WeakPolarHBondContact OE2-CD 3.08Å; E135-K155 WeakPolarHBondContact OE2-CE 3.46Å; E135-K155 IonicContact OE2-NZ 3.13Å; E135-K155 PolarHBondContact OE2-NZ 2.75Å; S153-K155 VanDerWaalsContact C-N 3.3Å; S153-K155 PolarHBondContact OG-N 2.94Å
156W98.6Very high97.9Very high55 Ų5545.2 Ų45.221%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-104.1126.2-164.9-55.7115.3000112.7M121 K123 D136 S153 M163M121-W156 PolarHBondContact O-NE1 2.76Å; K123-W156 HydrophobicContact CB-CD2 3.93Å; K123-W156 HydrophobicContact CB-CE3 3.76Å; K123-W156 HydrophobicContact CB-CH2 4.02Å; K123-W156 HydrophobicContact CB-CZ2 4.17Å; K123-W156 HydrophobicContact CB-CZ3 3.82Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.32Å; K123-W156 HydrophobicContact CD-CZ3 3.83Å; K123-W156 HydrophobicContact CG-CD2 4.38Å; K123-W156 HydrophobicContact CG-CE3 3.75Å; K123-W156 HydrophobicContact CG-CH2 4.39Å; K123-W156 HydrophobicContact CG-CZ3 3.77Å; D136-W156 PolarHBondContact OD1-NE1 3.49Å; S153-W156 PolarHBondContact OG-N 3.32Å; W156-M163 HydrophobicContact CB-CE 3.22Å; W156-M163 HydrophobicContact CG-CE 4.39Å; W156-M163 WeakPolarHBondContact O-CE 3.39Å
157T98.3Very high98.2Very high81 Ų8142.5 Ų42.550%0.49724%0.24SC..EExtended strand (participates in β ladder)trans-120164.2172.958.40000110.8G161T157-G161 CarbonylContact C-O 3.55Å; T157-G161 VanDerWaalsContact CA-O 3.27Å; T157-G161 WeakPolarHBondContact CA-O 3.43Å; T157-G161 VanDerWaalsContact CB-O 3.27Å; T157-G161 WeakPolarHBondContact CB-O 3.37Å
158H97.8Very high98.3Very high66 Ų6637.5 Ų37.531%0.30622%0.218SC..EExtended strand (participates in β ladder)trans-133.4117.7174.3-179.5-103.6000110.4G160 G161 M163 K177H158-G160 PolarHBondContact O-N 2.96Å; H158-G161 PolarHBondContact N-O 3.18Å; H158-G161 WeakPolarHBondContact O-CA 3.25Å; H158-G161 PolarHBondContact O-N 3.09Å; H158-M163 HydrophobicContact CB-CG 4.1Å; H158-M163 HydrophobicContact CB-SD 3.99Å; H158-K177 HydrophobicContact CB-CB 4.34Å; H158-K177 HydrophobicContact CB-CG 3.93Å; H158-K177 VanDerWaalsContact CD2-CD 3.47Å; H158-K177 WeakPolarHBondContact CD2-CD 3.19Å
159N96.4Very high98.3Very high154 Ų15443.3 Ų43.382%0.82425%0.247SC*.THydrogen-bonded Turntrans5241.8-175.3-57.5-14.3000112.6G161N159-G161 PolarHBondContact O-N 3.21Å
160G95.4Very high98.3Very high74 Ų7450.4 Ų50.476%0.76328%0.277SS*.THydrogen-bonded Turntrans76-10.3-175.400000115.1H158H158-G160 PolarHBondContact O-N 2.96Å
161G97.5Very high98.3Very high34 Ų3450.4 Ų50.435%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-84.9145.9176.800000113.3T157 H158 N159T157-G161 CarbonylContact C-O 3.55Å; T157-G161 VanDerWaalsContact CA-O 3.27Å; T157-G161 WeakPolarHBondContact CA-O 3.43Å; T157-G161 VanDerWaalsContact CB-O 3.27Å; T157-G161 WeakPolarHBondContact CB-O 3.37Å; H158-G161 PolarHBondContact N-O 3.18Å; H158-G161 WeakPolarHBondContact O-CA 3.25Å; H158-G161 PolarHBondContact O-N 3.09Å; N159-G161 PolarHBondContact O-N 3.21Å
162E98.4Very high98.2Very high75 Ų7554 Ų5435%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-67.5149.8172.4-64.8-168.4126.700111.8K140 A152 F164K140-E162 WeakPolarHBondContact CD-OE1 3.48Å; K140-E162 IonicContact NZ-OE1 2.9Å; K140-E162 PolarHBondContact NZ-OE1 3.31Å; A152-E162 HydrophobicContact CB-CB 4.1Å; E162-F164 HydrophobicContact CB-CE1 4.44Å; E162-F164 HydrophobicContact CB-CE2 3.72Å; E162-F164 HydrophobicContact CB-CZ 3.63Å
163M98.8Very high98.2Very high0 Ų055.5 Ų55.50%031%0.306CS..EExtended strand (participates in β ladder)trans-113.5124.9176.3-69.7-161.6-67.300110.1M121 A152 S153 W156 H158 K177M121-M163 HydrophobicContact CE-CB 4.49Å; M121-M163 HydrophobicContact SD-CB 3.64Å; M121-M163 HydrophobicContact SD-CE 4.23Å; A152-M163 CarbonylContact C-O 3.58Å; A152-M163 VanDerWaalsContact CA-O 3.27Å; A152-M163 WeakPolarHBondContact CA-O 3.3Å; S153-M163 PolarHBondContact N-O 2.93Å; W156-M163 HydrophobicContact CB-CE 3.22Å; W156-M163 HydrophobicContact CG-CE 4.39Å; W156-M163 WeakPolarHBondContact O-CE 3.39Å; H158-M163 HydrophobicContact CB-CG 4.1Å; H158-M163 HydrophobicContact CB-SD 3.99Å; M163-K177 HydrophobicContact SD-CB 4.36Å; M163-K177 HydrophobicContact SD-CG 3.54Å; M163-K177 VanDerWaalsContact SD-CG 3.54Å; M163-K177 PolarHBondContact SD-N 3.14Å; M163-K177 VanDerWaalsContact SD-N 3.42Å
164F98.9Very high98.2Very high8 Ų856.8 Ų56.84%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-105146-170.8-59.5-90.3000112.5M121 Y151 A152 E162 A166 T179 K181 A186M121-F164 VanDerWaalsContact CE-C 3.47Å; M121-F164 WeakPolarHBondContact CE-O 3.38Å; Y151-F164 CarbonylContact O-C 3.51Å; Y151-F164 WeakPolarHBondContact O-CA 3.4Å; A152-F164 HydrophobicContact CB-CD1 3.8Å; A152-F164 HydrophobicContact CB-CE1 3.68Å; A152-F164 HydrophobicContact CB-CZ 4.3Å; E162-F164 HydrophobicContact CB-CE1 4.44Å; E162-F164 HydrophobicContact CB-CE2 3.72Å; E162-F164 HydrophobicContact CB-CZ 3.63Å; F164-A166 PolarHBondContact O-N 3.26Å; F164-T179 PolarHBondContact N-OG1 2.92Å; F164-K181 HydrophobicContact CE1-CB 4.12Å; F164-K181 HydrophobicContact CE1-CG 4.35Å; F164-K181 HydrophobicContact CE2-CB 4.07Å; F164-K181 HydrophobicContact CZ-CB 3.61Å; F164-K181 HydrophobicContact CZ-CG 4.26Å; F164-A186 HydrophobicContact CB-CB 3.81Å; F164-A186 HydrophobicContact CG-CB 4.3Å
165V98.9Very high98.2Very high1 Ų162.6 Ų62.61%0.00633%0.328CS..  trans-58.8129159178.90000107.1L119 L127 F139 Y151 A186 F188L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.84Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 3.91Å; L127-V165 HydrophobicContact CD2-CG2 4.1Å; F139-V165 HydrophobicContact CD1-CG2 3.66Å; F139-V165 HydrophobicContact CE1-CG2 3.49Å; F139-V165 VanDerWaalsContact CE1-CG2 3.49Å; F139-V165 HydrophobicContact CG-CG2 4.37Å; F139-V165 HydrophobicContact CZ-CG2 4.08Å; Y151-V165 PolarHBondContact O-N 3.46Å; V165-A186 WeakPolarHBondContact O-CA 3.43Å; V165-F188 HydrophobicContact CB-CE2 4.45Å; V165-F188 HydrophobicContact CG1-CE2 4.03Å; V165-F188 HydrophobicContact CG1-CZ 3.96Å; V165-F188 WeakPolarHBondContact O-CE2 3.37Å
166A98.9Very high98.3Very high0 Ų058.5 Ų58.50%031%0.31CS..  trans-154.7144-177.900000113.1F164 P173 V174 T179 T185 A186F164-A166 PolarHBondContact O-N 3.26Å; A166-P173 WeakPolarHBondContact O-CA 3.42Å; A166-V174 HydrophobicContact CB-CB 3.97Å; A166-V174 HydrophobicContact CB-CG2 4.24Å; A166-V174 PolarHBondContact O-N 2.87Å; A166-T179 HydrophobicContact CB-CG2 3.61Å; A166-T185 CarbonylContact C-O 3.48Å; A166-T185 WeakPolarHBondContact CA-O 3.46Å; A166-T185 VanDerWaalsContact CB-O 3.29Å; A166-T185 WeakPolarHBondContact CB-O 3.12Å; A166-A186 HydrophobicContact CB-CB 4.29Å
167L98.9Very high98.2Very high0 Ų060 Ų600%032%0.318CS..BIsolated β-bridgetrans-119.2129.7171.7-63.2177.8000109.6C71 T73 W75 L77 P173 T185 F188C71-L167 HydrophobicContact CB-CB 4.35Å; C71-L167 HydrophobicContact CB-CD1 4.16Å; T73-L167 WeakPolarHBondContact CG2-O 3.49Å; T73-L167 PolarHBondContact OG1-O 2.98Å; W75-L167 HydrophobicContact CB-CD1 4Å; L77-L167 HydrophobicContact CD1-CD1 4.15Å; L77-L167 HydrophobicContact CD1-CD2 4.23Å; L77-L167 HydrophobicContact CD1-CG 4.39Å; L167-P173 HydrophobicContact CD2-CG 4.14Å; L167-T185 PolarHBondContact N-O 3.21Å; L167-T185 WeakPolarHBondContact O-CA 3.42Å; L167-T185 VanDerWaalsContact O-CB 3.29Å; L167-T185 WeakPolarHBondContact O-CB 3.44Å; L167-T185 WeakPolarHBondContact O-CG2 3.36Å; L167-F188 HydrophobicContact CD1-CE1 4.15Å; L167-F188 HydrophobicContact CD1-CZ 4.45Å; L167-F188 HydrophobicContact CG-CE1 4.36Å; L167-F188 HydrophobicContact CG-CZ 4.16Å
168N98.6Very high98.2Very high48 Ų4863.3 Ų63.326%0.25733%0.325SS..  trans-74.6179.6174.87214.2000111.9T73 K170 G171 I172 V174T73-N168 PolarHBondContact OG1-O 3.42Å; N168-K170 PolarHBondContact O-N 2.77Å; N168-K170 VanDerWaalsContact O-N 3.09Å; N168-K170 WeakPolarHBondContact OD1-CA 3.39Å; N168-K170 WeakPolarHBondContact OD1-CB 3.24Å; N168-K170 PolarHBondContact OD1-N 2.83Å; N168-G171 PolarHBondContact O-N 3.16Å; N168-G171 PolarHBondContact OD1-N 2.91Å; N168-I172 PolarHBondContact N-O 3.17Å; N168-I172 PolarHBondContact OD1-N 3.25Å; N168-I172 PolarHBondContact OD1-O 2.97Å; N168-V174 HydrophobicContact CB-CG2 3.83Å
169Q98.4Very high98.3Very high169 Ų16960.7 Ų60.779%0.7931%0.314SS*.THydrogen-bonded Turntrans-59.9-20178.8-67.9178.5-16.200114.3W75W75-Q169 PolarHBondContact NE1-O 3.04Å
170K98.4Very high98.4Very high161 Ų16159.7 Ų59.770%0.730%0.302SS*.THydrogen-bonded Turntrans-94.88.5177.3-56.7-176.4179.8-176.30112.6N168 I172N168-K170 PolarHBondContact O-N 2.77Å; N168-K170 VanDerWaalsContact O-N 3.09Å; N168-K170 WeakPolarHBondContact OD1-CA 3.39Å; N168-K170 WeakPolarHBondContact OD1-CB 3.24Å; N168-K170 PolarHBondContact OD1-N 2.83Å; K170-I172 HydrophobicContact CB-CD1 4.15Å; K170-I172 HydrophobicContact CB-CG1 4.22Å; K170-I172 PolarHBondContact O-N 2.99Å
171G98.2Very high98.5Very high3 Ų359.8 Ų59.83%0.03128%0.282CS..SBendtrans69.619-176.400000113.7W75 G87 N168W75-G171 VanDerWaalsContact CD2-CA 3.46Å; G87-G171 WeakPolarHBondContact CA-O 3.4Å; G87-G171 PolarHBondContact N-O 3.49Å; N168-G171 PolarHBondContact O-N 3.16Å; N168-G171 PolarHBondContact OD1-N 2.91Å
172I98.6Very high98.5Very high76 Ų7664.8 Ų64.839%0.3930%0.296SS..PPolyproline II helixtrans-96.2133.8-179.7-58.7172.8000109N168 K170 V174N168-I172 PolarHBondContact N-O 3.17Å; N168-I172 PolarHBondContact OD1-N 3.25Å; N168-I172 PolarHBondContact OD1-O 2.97Å; K170-I172 HydrophobicContact CB-CD1 4.15Å; K170-I172 HydrophobicContact CB-CG1 4.22Å; K170-I172 PolarHBondContact O-N 2.99Å; I172-V174 PolarHBondContact O-N 3.11Å
173P98.7Very high98.5Very high34 Ų3464.5 Ų64.522%0.22130%0.295CS..BIsolated β-bridgetrans-53.3130.3173-27.735.6000112.7V85 L127 A166 L167V85-P173 HydrophobicContact CB-CG 4.43Å; V85-P173 HydrophobicContact CG1-CG 4.25Å; V85-P173 WeakPolarHBondContact O-CG 3.26Å; L127-P173 HydrophobicContact CB-CB 4.28Å; L127-P173 HydrophobicContact CD1-CB 4.15Å; A166-P173 WeakPolarHBondContact O-CA 3.42Å; L167-P173 HydrophobicContact CD2-CG 4.14Å
174V98.6Very high98.5Very high28 Ų2870.7 Ų70.717%0.1732%0.322CS..PPolyproline II helixtrans-88.6142.4174-174.40000108.7A166 N168 I172 G176 K178 T179A166-V174 HydrophobicContact CB-CB 3.97Å; A166-V174 HydrophobicContact CB-CG2 4.24Å; A166-V174 PolarHBondContact O-N 2.87Å; N168-V174 HydrophobicContact CB-CG2 3.83Å; I172-V174 PolarHBondContact O-N 3.11Å; V174-G176 PolarHBondContact O-N 3.13Å; V174-K178 HydrophobicContact CG1-CB 4.19Å; V174-T179 HydrophobicContact CB-CG2 4.13Å; V174-T179 HydrophobicContact CG1-CG2 3.88Å
175R98.6Very high98.5Very high161 Ų16171.7 Ų71.761%0.60833%0.328SS*.PPolyproline II helixtrans-65.1127.3171.4-69.6-171.9-177.6179.7-0.3109.3G125 K177 K178G125-R175 CarbonylContact O-C 3.37Å; G125-R175 VanDerWaalsContact O-CA 3.29Å; G125-R175 WeakPolarHBondContact O-CA 3.29Å; R175-K177 PolarHBondContact O-N 2.89Å; R175-K177 VanDerWaalsContact O-N 3.09Å; R175-K178 WeakPolarHBondContact O-CA 3.48Å; R175-K178 WeakPolarHBondContact O-CB 3.45Å; R175-K178 PolarHBondContact O-N 3.31Å
176G98.5Very high98.5Very high0 Ų071.7 Ų71.70%033%0.328CS..G310 helixtrans-49.7-37.1-179.600000113.9G125 V174 K178 T179G125-G176 PolarHBondContact O-N 2.97Å; V174-G176 PolarHBondContact O-N 3.13Å; G176-K178 PolarHBondContact O-N 3.24Å; G176-T179 PolarHBondContact O-N 3.01Å; G176-T179 PolarHBondContact O-OG1 2.91Å
177K98.2Very high98.5Very high87 Ų8771.9 Ų71.938%0.37833%0.329SS..G310 helixtrans-58-18.7174.8-60.7-175.1171.2-178.40114.7K123 E124 H158 M163 R175K123-K177 VanDerWaalsContact O-CE 3.23Å; K123-K177 WeakPolarHBondContact O-CE 3.42Å; E124-K177 WeakPolarHBondContact O-CD 3.37Å; E124-K177 WeakPolarHBondContact O-CE 3.39Å; H158-K177 HydrophobicContact CB-CB 4.34Å; H158-K177 HydrophobicContact CB-CG 3.93Å; H158-K177 VanDerWaalsContact CD2-CD 3.47Å; H158-K177 WeakPolarHBondContact CD2-CD 3.19Å; M163-K177 HydrophobicContact SD-CB 4.36Å; M163-K177 HydrophobicContact SD-CG 3.54Å; M163-K177 VanDerWaalsContact SD-CG 3.54Å; M163-K177 PolarHBondContact SD-N 3.14Å; M163-K177 VanDerWaalsContact SD-N 3.42Å; R175-K177 PolarHBondContact O-N 2.89Å; R175-K177 VanDerWaalsContact O-N 3.09Å
178K98.2Very high98.5Very high151 Ų15171.9 Ų71.966%0.65733%0.329SS*.G310 helixtrans-105.51.7-180-58.7-173.1176-170.50113.1V174 R175 G176 Q183V174-K178 HydrophobicContact CG1-CB 4.19Å; R175-K178 WeakPolarHBondContact O-CA 3.48Å; R175-K178 WeakPolarHBondContact O-CB 3.45Å; R175-K178 PolarHBondContact O-N 3.31Å; G176-K178 PolarHBondContact O-N 3.24Å; K178-Q183 PolarHBondContact O-OE1 2.91Å
179T98.6Very high98.4Very high11 Ų1172.5 Ų72.57%0.06733%0.332CS..  trans-94153.4-176.763.50000111F164 A166 V174 G176F164-T179 PolarHBondContact N-OG1 2.92Å; A166-T179 HydrophobicContact CB-CG2 3.61Å; V174-T179 HydrophobicContact CB-CG2 4.13Å; V174-T179 HydrophobicContact CG1-CG2 3.88Å; G176-T179 PolarHBondContact O-N 3.01Å; G176-T179 PolarHBondContact O-OG1 2.91Å
180K98.3Very high98.4Very high132 Ų13265.7 Ų65.757%0.57430%0.303SS*.  trans-136154169.7-58.6-176.4175.6-173.70109E182 Q183K180-E182 PolarHBondContact O-N 2.75Å; K180-Q183 HydrophobicContact CB-CG 4.04Å; K180-Q183 WeakPolarHBondContact O-CB 3.41Å; K180-Q183 PolarHBondContact O-N 2.84Å
181K98.2Very high98.4Very high76 Ų7660.4 Ų60.433%0.3328%0.281SS..THydrogen-bonded Turntrans-58.5-37.1-177.3-178.8-179.9171.7179.30112.4L144 T150 F164 Q183 H187L144-K181 HydrophobicContact CD2-CD 4.33Å; L144-K181 HydrophobicContact CD2-CG 4.1Å; T150-K181 HydrophobicContact CG2-CG 4.45Å; F164-K181 HydrophobicContact CE1-CB 4.12Å; F164-K181 HydrophobicContact CE1-CG 4.35Å; F164-K181 HydrophobicContact CE2-CB 4.07Å; F164-K181 HydrophobicContact CZ-CB 3.61Å; F164-K181 HydrophobicContact CZ-CG 4.26Å; K181-Q183 VanDerWaalsContact C-N 3.3Å; K181-Q183 PolarHBondContact O-N 2.78Å; K181-H187 PolarHBondContact O-CD2 3.06Å; K181-H187 PolarHBondContact O-NE2 3.41Å
182E97.6Very high98.2Very high139 Ų13963.4 Ų63.465%0.6531%0.306SS*.THydrogen-bonded Turntrans-80.5-12-174.1-53.369.7-146.300112.8K180 K184 H187K180-E182 PolarHBondContact O-N 2.75Å; E182-K184 PolarHBondContact O-N 2.81Å; E182-H187 PolarHBondContact O-NE2 3.44Å
183Q98.4Very high97.9Very high69 Ų6963.2 Ų63.232%0.32231%0.305SS..SBendtrans-75.9127.8-177.2-72.9174.5-27.800110.7K178 K180 K181 T185 A186 H187K178-Q183 PolarHBondContact O-OE1 2.91Å; K180-Q183 HydrophobicContact CB-CG 4.04Å; K180-Q183 WeakPolarHBondContact O-CB 3.41Å; K180-Q183 PolarHBondContact O-N 2.84Å; K181-Q183 VanDerWaalsContact C-N 3.3Å; K181-Q183 PolarHBondContact O-N 2.78Å; Q183-T185 PolarHBondContact O-N 3.26Å; Q183-A186 PolarHBondContact O-N 3.33Å; Q183-H187 PolarHBondContact O-CD2 3.06Å; Q183-H187 PolarHBondContact O-NE2 2.91Å
184K98.4Very high96.8Very high131 Ų13169.6 Ų69.657%0.5734%0.343SS*.G310 helixtrans-50.9-28.6175.7-61.6-175.6-179.1176.80113.6R72 E182 A186 H187R72-K184 HydrophobicContact CB-CB 4.43Å; R72-K184 HydrophobicContact CG-CB 4.34Å; E182-K184 PolarHBondContact O-N 2.81Å; K184-A186 PolarHBondContact O-N 2.89Å; K184-H187 PolarHBondContact O-N 2.85Å
185T98.7Very high96.7Very high29 Ų2971.7 Ų71.718%0.17835%0.352CS..G310 helixtrans-61.4-25.5176.855.20000113.5C71 T73 A166 L167 Q183C71-T185 PolarHBondContact SG-O 2.95Å; C71-T185 VanDerWaalsContact SG-O 3.34Å; T73-T185 HydrophobicContact CG2-CG2 4.03Å; A166-T185 CarbonylContact C-O 3.48Å; A166-T185 WeakPolarHBondContact CA-O 3.46Å; A166-T185 VanDerWaalsContact CB-O 3.29Å; A166-T185 WeakPolarHBondContact CB-O 3.12Å; L167-T185 PolarHBondContact N-O 3.21Å; L167-T185 WeakPolarHBondContact O-CA 3.42Å; L167-T185 VanDerWaalsContact O-CB 3.29Å; L167-T185 WeakPolarHBondContact O-CB 3.44Å; L167-T185 WeakPolarHBondContact O-CG2 3.36Å; Q183-T185 PolarHBondContact O-N 3.26Å
186A98.8Very high96.6Very high0 Ų066.9 Ų66.90%034%0.338CS..G310 helixtrans-97.3-2.1-178.900000113.7F164 V165 A166 Q183 K184 F188F164-A186 HydrophobicContact CB-CB 3.81Å; F164-A186 HydrophobicContact CG-CB 4.3Å; V165-A186 WeakPolarHBondContact O-CA 3.43Å; A166-A186 HydrophobicContact CB-CB 4.29Å; Q183-A186 PolarHBondContact O-N 3.33Å; K184-A186 PolarHBondContact O-N 2.89Å; A186-F188 WeakPolarHBondContact O-CD2 3.43Å
187H98.8Very high96.5Very high4 Ų470.7 Ų70.72%0.01936%0.357CS..  trans-93.7125-176-65.9-158.7000109.8C71 R72 N146 Y148 K181 E182 Q183 K184C71-H187 CarbonylContact C-O 3.45Å; C71-H187 WeakPolarHBondContact CA-O 3.35Å; R72-H187 HydrophobicContact CB-CB 3.92Å; R72-H187 PolarHBondContact N-O 3.01Å; R72-H187 PolarHBondContact NH1-ND1 2.85Å; N146-H187 PolarHBondContact ND2-CE1 2.79Å; N146-H187 PolarHBondContact ND2-ND1 3.2Å; Y148-H187 HydrophobicContact CD1-CB 3.8Å; Y148-H187 HydrophobicContact CG-CB 3.88Å; K181-H187 PolarHBondContact O-CD2 3.06Å; K181-H187 PolarHBondContact O-NE2 3.41Å; E182-H187 PolarHBondContact O-NE2 3.44Å; Q183-H187 PolarHBondContact O-CD2 3.06Å; Q183-H187 PolarHBondContact O-NE2 2.91Å; K184-H187 PolarHBondContact O-N 2.85Å
188F98.9Very high96.4Very high0 Ų069.7 Ų69.70%036%0.356CS..EExtended strand (participates in β ladder)trans-126.9136.5179.7-69.2-96.4000111L69 F70 C71 L77 N149 Y151 V165 L167 A186L69-F188 HydrophobicContact CB-CD1 4.03Å; F70-F188 CarbonylContact O-C 3.47Å; F70-F188 WeakPolarHBondContact O-CA 3.34Å; C71-F188 HydrophobicContact CB-CD1 3.79Å; C71-F188 HydrophobicContact CB-CE1 3.52Å; C71-F188 HydrophobicContact CB-CZ 4.04Å; L77-F188 HydrophobicContact CB-CE1 4.27Å; N149-F188 PolarHBondContact N-O 2.82Å; N149-F188 PolarHBondContact O-N 2.9Å; Y151-F188 HydrophobicContact CD2-CB 4.4Å; Y151-F188 HydrophobicContact CD2-CD2 4.23Å; Y151-F188 HydrophobicContact CD2-CG 4.5Å; Y151-F188 HydrophobicContact CE2-CB 3.9Å; Y151-F188 HydrophobicContact CE2-CG 4.4Å; V165-F188 HydrophobicContact CB-CE2 4.45Å; V165-F188 HydrophobicContact CG1-CE2 4.03Å; V165-F188 HydrophobicContact CG1-CZ 3.96Å; V165-F188 WeakPolarHBondContact O-CE2 3.37Å; L167-F188 HydrophobicContact CD1-CE1 4.15Å; L167-F188 HydrophobicContact CD1-CZ 4.45Å; L167-F188 HydrophobicContact CG-CE1 4.36Å; L167-F188 HydrophobicContact CG-CZ 4.16Å; A186-F188 WeakPolarHBondContact O-CD2 3.43Å
189L98.4Very high96.2Very high61 Ų6164.6 Ų64.632%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-100.2115.9172.5-177.464.5000108.6F70 Y148 M191F70-L189 PolarHBondContact N-O 3.47Å; F70-L189 PolarHBondContact O-N 3.19Å; Y148-L189 HydrophobicContact CD1-CB 4.08Å; Y148-L189 HydrophobicContact CE1-CB 3.99Å; L189-M191 HydrophobicContact CD2-CG 4.18Å; L189-M191 HydrophobicContact CD2-SD 4.25Å; L189-M191 HydrophobicContact CG-CG 4.08Å; L189-M191 PolarHBondContact O-N 2.83Å
190P97.6Very high96.1Very high27 Ų2768.2 Ų68.218%0.17536%0.355CS..EExtended strand (participates in β ladder)trans-72.9112.9172.1-12.728.2000109.9R67 L69 N149R67-P190 HydrophobicContact CB-CB 4.31Å; R67-P190 HydrophobicContact CG-CB 4.19Å; L69-P190 HydrophobicContact CD2-CB 4.21Å; L69-P190 HydrophobicContact CD2-CG 4.25Å; N149-P190 WeakPolarHBondContact ND2-CG 3.33Å
191M97.3Very high95.9Very high49 Ų4963.6 Ų63.624%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-104.7142.7-179.5-56-164-51.600111.1R67 R68 F70 Y76 L189R67-M191 CarbonylContact C-O 3.56Å; R67-M191 VanDerWaalsContact CA-O 3.25Å; R67-M191 WeakPolarHBondContact CA-O 3.36Å; R67-M191 WeakPolarHBondContact CB-O 3.34Å; R67-M191 VanDerWaalsContact CD-O 3.29Å; R67-M191 WeakPolarHBondContact CD-O 3.36Å; R68-M191 HydrophobicContact CB-CB 4.47Å; R68-M191 PolarHBondContact N-O 3.21Å; R68-M191 PolarHBondContact O-N 3.35Å; F70-M191 HydrophobicContact CB-CE 3.7Å; F70-M191 HydrophobicContact CB-CG 4.24Å; F70-M191 HydrophobicContact CB-SD 3.94Å; F70-M191 HydrophobicContact CD1-SD 4.42Å; F70-M191 HydrophobicContact CD2-CE 4.43Å; F70-M191 HydrophobicContact CG-CE 4.06Å; F70-M191 HydrophobicContact CG-SD 4.29Å; Y76-M191 HydrophobicContact CD1-CE 4.21Å; Y76-M191 HydrophobicContact CE1-CE 3.19Å; Y76-M191 WeakPolarHBondContact OH-CE 3.42Å; L189-M191 HydrophobicContact CD2-CG 4.18Å; L189-M191 HydrophobicContact CD2-SD 4.25Å; L189-M191 HydrophobicContact CG-CG 4.08Å; L189-M191 PolarHBondContact O-N 2.83Å
192A94.6Very high95.8Very high67 Ų6762.7 Ų62.755%0.55434%0.34SS*.  trans-61.7153.8174.300000111.4T194A192-T194 PolarHBondContact O-N 3.14Å
193I92Very high95.6Very high71 Ų7156.3 Ų56.336%0.36431%0.314SS..  trans-83103.3170.2-49.2-53.1000107.2V66 R68 I97V66-I193 HydrophobicContact CG1-CD1 4.49Å; V66-I193 HydrophobicContact CG1-CG1 3.9Å; R68-I193 HydrophobicContact CG-CD1 3.68Å; I97-I193 HydrophobicContact CG1-CD1 4.25Å; I97-I193 HydrophobicContact CG2-CD1 4Å; I97-I193 HydrophobicContact CG2-CG1 4.35Å
194T75.4Confident95.3Very high168 Ų16855.2 Ų55.2100%1.03131%0.314SS*.  trans-90.90164.4-2.90000110.9A192A192-T194 PolarHBondContact O-N 3.14Å

Retrieved 194 of 194 residues in 143 ms (Link to these results)