A0A087X2N8_POEFO Loading...

Interleukin 17a/f1

AlphaFold DB , UniProt , Accession A0A087X2N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 155 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
1M36Very low48.7Very low241 Ų241130.5 Ų130.5100%1.18774%0.744SS**  088.90-152.8156.6172.800106.4
2F33.2Very low50Low203 Ų203127.2 Ų127.289%0.8973%0.727SS**  trans-109.5136.2-180-71.6-76.9000108.2
3P43.2Very low51.4Low126 Ų126125.8 Ų125.882%0.81872%0.715SS**  trans-76.5138.5-170.330.7-32.2000111.2
4A46.8Very low52.6Low107 Ų107119.4 Ų119.488%0.88469%0.69SS**  trans-78.8118.1168.900000109.9
5A46.6Very low53.8Low88 Ų88115.1 Ų115.173%0.72767%0.674SS**  trans-162.2129.5160.200000104.9
6N53Low55Low89 Ų89113.3 Ų113.348%0.47666%0.664SS.*  cis-163.355.946.2-131.3-8.8000109S8 R9N6-S8 PolarHBondContact O-N 3.42Å; N6-R9 PolarHBondContact O-N 2.84Å
7S51.3Low56.1Low103 Ų103110.9 Ų110.972%0.7265%0.652SS**Hα-helixtrans-58.6-31.2-179.2-179.20000112.4R9 T11S7-R9 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-OG1 3.01Å
8S54Low56.7Low76 Ų76112 Ų11253%0.53165%0.651SS.*Hα-helixtrans-67.6-32.1-17764.10000114.6N6 T11 V12N6-S8 PolarHBondContact O-N 3.42Å; S8-T11 PolarHBondContact O-N 3.09Å; S8-V12 VanDerWaalsContact O-CG2 3.22Å; S8-V12 WeakPolarHBondContact O-CG2 3.37Å; S8-V12 PolarHBondContact O-N 2.97Å
9R55.2Low57.4Low170 Ų170110.2 Ų110.264%0.64264%0.641SS**Hα-helixtrans-71.9-36.9-176-69.1-164.4179.2-164-0.3112.5N6 S7 I13N6-R9 PolarHBondContact O-N 2.84Å; S7-R9 PolarHBondContact O-N 3Å; R9-I13 WeakPolarHBondContact O-CD1 3.28Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.86Å; R9-I13 VanDerWaalsContact O-N 3.14Å
10L56.7Low57.8Low140 Ų140108.1 Ų108.173%0.73363%0.63SS**Hα-helixtrans-67.4-40.2174.9-101.579000111.5I13 G14L10-I13 PolarHBondContact O-N 2.77Å; L10-G14 PolarHBondContact O-N 2.88Å
11T60.1Low58Low93 Ų93109.2 Ų109.257%0.57163%0.631SS**Hα-helixtrans-66.7-38.8179.3-33.70000111.9S7 S8 G14 A15S7-T11 PolarHBondContact O-OG1 3.01Å; S8-T11 PolarHBondContact O-N 3.09Å; T11-G14 PolarHBondContact O-N 3.16Å; T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 3.13Å
12V64.6Low59.2Low90 Ų90103.1 Ų103.155%0.54560%0.603SS.*Hα-helixtrans-67.8-42.5177.1172.90000111.3S8 A15 V16S8-V12 VanDerWaalsContact O-CG2 3.22Å; S8-V12 WeakPolarHBondContact O-CG2 3.37Å; S8-V12 PolarHBondContact O-N 2.97Å; V12-A15 PolarHBondContact O-N 3.22Å; V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 2.82Å
13I68.1Low60.5Low110 Ų11099.1 Ų99.156%0.56459%0.589SS**Hα-helixtrans-63.8-44.1176.3-66.2166.5000110.5R9 L10 A15 V16 V17R9-I13 WeakPolarHBondContact O-CD1 3.28Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.86Å; R9-I13 VanDerWaalsContact O-N 3.14Å; L10-I13 PolarHBondContact O-N 2.77Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.26Å; I13-V16 PolarHBondContact O-N 2.85Å; I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 WeakPolarHBondContact O-CG2 3.26Å; I13-V17 PolarHBondContact O-N 3.42Å
14G67.8Low61.2Low36 Ų3699.9 Ų99.937%0.37158%0.583SS.*Hα-helixtrans-59.4-41.4175.200000112.9L10 T11 V17 M18L10-G14 PolarHBondContact O-N 2.88Å; T11-G14 PolarHBondContact O-N 3.16Å; G14-V17 PolarHBondContact O-N 2.77Å; G14-M18 WeakPolarHBondContact O-CB 3.46Å; G14-M18 WeakPolarHBondContact O-CG 3.45Å; G14-M18 PolarHBondContact O-N 3.09Å
15A71.3Confident61.7Low55 Ų5598.1 Ų98.146%0.45557%0.568SS.*Hα-helixtrans-65.5-41.1176.100000112.3T11 V12 I13 M18 V19T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 3.13Å; V12-A15 PolarHBondContact O-N 3.22Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.26Å; A15-M18 PolarHBondContact O-N 3.28Å; A15-V19 WeakPolarHBondContact O-CB 3.34Å; A15-V19 VanDerWaalsContact O-CG2 3.22Å; A15-V19 WeakPolarHBondContact O-CG2 2.97Å; A15-V19 PolarHBondContact O-N 3.45Å
16V73Confident61.8Low85 Ų85101.8 Ų101.852%0.51557%0.57SS.*Hα-helixtrans-67.2-39.6177.5173.90000111.5V12 I13 V19 T20V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 2.82Å; I13-V16 PolarHBondContact O-N 2.85Å; V16-V19 PolarHBondContact O-N 2.93Å; V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CB 3.47Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.26Å; V16-T20 PolarHBondContact O-OG1 3.45Å
17V72.3Confident61.7Low74 Ų74103.5 Ų103.545%0.44858%0.583SS.*Hα-helixtrans-66.2-41.6175.2175.80000111.1I13 G14 T20 M21I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 WeakPolarHBondContact O-CG2 3.26Å; I13-V17 PolarHBondContact O-N 3.42Å; G14-V17 PolarHBondContact O-N 2.77Å; V17-T20 WeakPolarHBondContact CA-OG1 3.21Å; V17-T20 PolarHBondContact O-N 2.02Å; V17-T20 PolarHBondContact O-OG1 2.89Å; V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 WeakPolarHBondContact O-CB 3.13Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.43Å; V17-M21 PolarHBondContact O-N 3.49Å
18M68.4Low61.9Low130 Ų130102.7 Ų102.764%0.6458%0.583SS**Hα-helixtrans-63.5-44175.4-74.6-85.4-77.300112G14 A15 M21 L22G14-M18 WeakPolarHBondContact O-CB 3.46Å; G14-M18 WeakPolarHBondContact O-CG 3.45Å; G14-M18 PolarHBondContact O-N 3.09Å; A15-M18 PolarHBondContact O-N 3.28Å; M18-M21 PolarHBondContact O-N 2.84Å; M18-L22 VanDerWaalsContact O-CG 3.3Å; M18-L22 WeakPolarHBondContact O-CG 3.34Å; M18-L22 PolarHBondContact O-N 3.27Å
19V68.8Low61.6Low77 Ų77104.2 Ų104.247%0.46759%0.594SS.*Hα-helixtrans-65.6-42.3177.7171.90000110.9A15 V16 M21 L22 M23A15-V19 WeakPolarHBondContact O-CB 3.34Å; A15-V19 VanDerWaalsContact O-CG2 3.22Å; A15-V19 WeakPolarHBondContact O-CG2 2.97Å; A15-V19 PolarHBondContact O-N 3.45Å; V16-V19 PolarHBondContact O-N 2.93Å; V19-M21 PolarHBondContact O-N 3.07Å; V19-L22 PolarHBondContact O-N 3.12Å; V19-M23 HydrophobicContact CG1-CE 4.19Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 VanDerWaalsContact O-CG 3.23Å; V19-M23 WeakPolarHBondContact O-CG 3.09Å; V19-M23 PolarHBondContact O-N 3.22Å
20T65.2Low61.1Low69 Ų69105.3 Ų105.342%0.42360%0.603SS.*Hα-helixtrans-66.7-36.5176.949.90000112.8V16 V17 M23 M24V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CB 3.47Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.26Å; V16-T20 PolarHBondContact O-OG1 3.45Å; V17-T20 WeakPolarHBondContact CA-OG1 3.21Å; V17-T20 PolarHBondContact O-N 2.02Å; V17-T20 PolarHBondContact O-OG1 2.89Å; T20-M23 PolarHBondContact O-N 3.14Å; T20-M24 VanDerWaalsContact O-CG 3.31Å; T20-M24 WeakPolarHBondContact O-CG 3.49Å; T20-M24 PolarHBondContact O-N 3.11Å
21M61.7Low60.4Low131 Ų131107.1 Ų107.165%0.64561%0.607SS**Hα-helixtrans-64.6-39.9172.8-73.8-71.6-167.900112.6V17 M18 V19 M24 A25V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 WeakPolarHBondContact O-CB 3.13Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.43Å; V17-M21 PolarHBondContact O-N 3.49Å; M18-M21 PolarHBondContact O-N 2.84Å; V19-M21 PolarHBondContact O-N 3.07Å; M21-M24 PolarHBondContact O-N 3.05Å; M21-A25 WeakPolarHBondContact O-CB 2.93Å; M21-A25 PolarHBondContact O-N 3.41Å
22L61.6Low59.5Low114 Ų114108.1 Ų108.160%0.59762%0.616SS**Hα-helixtrans-65.8-38.9175.7-70.9168.1000112.1M18 V19 A25 E26M18-L22 VanDerWaalsContact O-CG 3.3Å; M18-L22 WeakPolarHBondContact O-CG 3.34Å; M18-L22 PolarHBondContact O-N 3.27Å; V19-L22 PolarHBondContact O-N 3.12Å; L22-A25 PolarHBondContact O-N 2.74Å; L22-E26 PolarHBondContact O-N 2.74Å
23M60.7Low58.5Low119 Ų119115.4 Ų115.459%0.58663%0.634SS**Hα-helixtrans-67.6-36.4176.3-63.3-65.3175.700112.3V19 T20 A25 V27V19-M23 HydrophobicContact CG1-CE 4.19Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 VanDerWaalsContact O-CG 3.23Å; V19-M23 WeakPolarHBondContact O-CG 3.09Å; V19-M23 PolarHBondContact O-N 3.22Å; T20-M23 PolarHBondContact O-N 3.14Å; M23-A25 VanDerWaalsContact C-N 3.35Å; M23-V27 WeakPolarHBondContact O-CG2 3.37Å
24M58.7Low57.1Low142 Ų142119.7 Ų119.770%0.765%0.648SS**Hα-helixtrans-70.3-31.6174.5-66.2-67.6176.900112.2T20 M21 V27T20-M24 VanDerWaalsContact O-CG 3.31Å; T20-M24 WeakPolarHBondContact O-CG 3.49Å; T20-M24 PolarHBondContact O-N 3.11Å; M21-M24 PolarHBondContact O-N 3.05Å; M24-V27 PolarHBondContact O-N 3.03Å
25A55.9Low55.9Low69 Ų69129.4 Ų129.457%0.5767%0.674SS**Hα-helixtrans-69.8-31.5178.200000113.2M21 L22 M23M21-A25 WeakPolarHBondContact O-CB 2.93Å; M21-A25 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 2.74Å; M23-A25 VanDerWaalsContact C-N 3.35Å
26E50.1Low54.8Low166 Ų166131.8 Ų131.878%0.77669%0.687SS**Hα-helixtrans-71.7-27.1174.1-75.6-155.7154.700113.4L22 A28L22-E26 PolarHBondContact O-N 2.74Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.43Å
27V51.3Low53.5Low124 Ų124135.2 Ų135.275%0.75270%0.702SS**Hα-helixtrans-80-14.3-179.1-177.80000112.6M23 M24M23-V27 WeakPolarHBondContact O-CG2 3.37Å; M24-V27 PolarHBondContact O-N 3.03Å
28A54.9Low52.5Low86 Ų86134.2 Ų134.271%0.71171%0.707SS**THydrogen-bonded Turntrans-92.69.1-176.400000115.3E26E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.43Å
29S47.8Very low52Low109 Ų109132.7 Ų132.776%0.76271%0.709SS**  trans-106.860.4175.1-1600000112.5
30K44Very low51.8Low192 Ų192135.1 Ų135.184%0.83572%0.724SS**  trans-120.785.2159.2-107.6177.1-179.2173.40108.1
31H42.8Very low52.1Low178 Ų178139.7 Ų139.782%0.82474%0.738SS**  trans-50.8126158.7-112.850.4000107.7R33H31-R33 PolarHBondContact O-N 3.27Å
32P40.9Very low53.1Low115 Ų115140.7 Ų140.775%0.74774%0.741SS**  trans-61.8112.3171.924.8-28.3000105.9K34P32-K34 VanDerWaalsContact C-N 3.3Å; P32-K34 PolarHBondContact O-N 3.47Å
33R43.8Very low54.2Low243 Ų243140.8 Ų140.892%0.91775%0.746SS**  trans-54.5104.6166.4-87.8-168.1174-174.4-0.4105.6H31 R35H31-R33 PolarHBondContact O-N 3.27Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.36Å
34K37.7Very low55.6Low200 Ų200140.3 Ų140.387%0.8775%0.75SS**  trans-52.2103.7166.6-164.6174.2-174.4178.60105P32 S36P32-K34 VanDerWaalsContact C-N 3.3Å; P32-K34 PolarHBondContact O-N 3.47Å; K34-S36 PolarHBondContact O-N 3.46Å
35R42.9Very low57.1Low240 Ų240139.8 Ų139.891%0.90676%0.76SS**  trans-6299.1175.5-152.9178.4-168.4-163.92.9103.5R33 D37R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.36Å; R35-D37 PolarHBondContact O-N 3.07Å
36S48.7Very low58.5Low104 Ų104141.4 Ų141.473%0.72776%0.759SS**  trans-50.4114.6171.9179.50000105K34 G38K34-S36 PolarHBondContact O-N 3.46Å; S36-G38 PolarHBondContact O-N 2.84Å
37D45.6Very low60.3Low158 Ų158141.3 Ų141.385%0.84576%0.758SS**  trans-56.295.3171.6-175.824.5000106.2R35 S39R35-D37 PolarHBondContact O-N 3.07Å; D37-S39 PolarHBondContact O-N 2.9Å
38G50.7Low61.8Low53 Ų53138.1 Ų138.155%0.54674%0.736SS.*  trans-79.391.5-17000000106.7S36 V40S36-G38 PolarHBondContact O-N 2.84Å; G38-V40 PolarHBondContact O-N 3.28Å
39S59.1Low63.1Low97 Ų97136.9 Ų136.968%0.67872%0.717SS**  trans-49.2120.6163.2620000107.5D37 K41D37-S39 PolarHBondContact O-N 2.9Å; S39-K41 PolarHBondContact O-N 3.02Å
40V63.8Low64.3Low129 Ų129135.7 Ų135.778%0.78271%0.707SS**  trans-59.9108.3-179.7177.30000106.6G38 Q42G38-V40 PolarHBondContact O-N 3.28Å; V40-Q42 PolarHBondContact O-N 2.88Å
41K71.4Confident65.5Low164 Ų164132.1 Ų132.171%0.71370%0.697SS**  trans-73.195.8176.2-69.5-175.8-178.6176.90107.4S39 T43S39-K41 PolarHBondContact O-N 3.02Å; K41-T43 PolarHBondContact O-N 3.44Å
42Q82.4Confident66.4Low153 Ų153129.6 Ų129.672%0.71569%0.689SS**  trans-71.6122175.8-172.964.53800109.5V40 V44V40-Q42 PolarHBondContact O-N 2.88Å; Q42-V44 HydrophobicContact CG-CG1 4.23Å
43T85.1Confident67.3Low115 Ų115128.9 Ų128.971%0.70668%0.679SS**  trans-99.2138.6169.7-55.50000108.6K41K41-T43 PolarHBondContact O-N 3.44Å
44V90.3Very high67.9Low110 Ų110123.5 Ų123.567%0.66767%0.667SS**  trans-128148.5177.6-61.80000109.7Q42Q42-V44 HydrophobicContact CG-CG1 4.23Å
45S89.3Confident69Low130 Ų130121.1 Ų121.191%0.90966%0.663SS**  trans-72.1133171.3-60.10000109.7
46L86Confident69.6Low104 Ų104114.8 Ų114.855%0.54565%0.653SS.*  trans-125.2128.6-179.3-178.667.5000109.8L48 L119L46-L48 HydrophobicContact CD2-CD2 3.58Å; L46-L48 HydrophobicContact CD2-CG 4.4Å; L46-L48 HydrophobicContact CG-CD2 3.92Å; L46-L119 HydrophobicContact CD2-CD1 3.39Å; L46-L119 HydrophobicContact CD2-CD2 4.13Å; L46-L119 HydrophobicContact CD2-CG 4.42Å
47H88Confident70Confident164 Ų164114.8 Ų114.876%0.75965%0.653SS**  trans-100.7119.3170.3-173.9-91.7000108.7
48L83.6Confident70.6Confident56 Ų56118.4 Ų118.429%0.29366%0.655SS.*  trans-92.4107.2177.1-61.8179.5000108.5L46 P50 Y82 L119 Y133L46-L48 HydrophobicContact CD2-CD2 3.58Å; L46-L48 HydrophobicContact CD2-CG 4.4Å; L46-L48 HydrophobicContact CG-CD2 3.92Å; L48-P50 WeakPolarHBondContact O-CD 3.28Å; L48-Y82 HydrophobicContact CB-CE1 4.48Å; L48-Y82 HydrophobicContact CD1-CD1 4.14Å; L48-Y82 HydrophobicContact CD1-CD2 4.05Å; L48-Y82 HydrophobicContact CD1-CE1 4.14Å; L48-Y82 HydrophobicContact CD1-CE2 4.04Å; L48-Y82 HydrophobicContact CD1-CG 4.08Å; L48-Y82 HydrophobicContact CD2-CD1 4Å; L48-Y82 HydrophobicContact CD2-CE1 3.7Å; L48-Y82 HydrophobicContact CG-CE1 4.33Å; L48-L119 HydrophobicContact CD2-CD1 3.7Å; L48-Y133 HydrophobicContact CD1-CE2 4.32Å
49D81.2Confident71Confident60 Ų60120.4 Ų120.432%0.32165%0.653SS.*  trans-88.1111.9174-173.3-12.5000109.8D51 L52D49-D51 PolarHBondContact O-N 2.85Å; D49-D51 WeakPolarHBondContact OD1-CB 3.43Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.93Å
50P72.4Confident71.1Confident84 Ų84121.9 Ų121.955%0.54566%0.66SS.*G310 helixtrans-64.5-26-179.7-16.230.4000113.3L48 L52 L53L48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.58Å; P50-L53 PolarHBondContact O-N 2.88Å
51D69.2Low71.4Confident117 Ų117125.6 Ų125.663%0.62666%0.66SS**G310 helixtrans-77.4-19.4-172.2-64.2-30.5000112D49 L53 L54D49-D51 PolarHBondContact O-N 2.85Å; D49-D51 WeakPolarHBondContact OD1-CB 3.43Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D51-L53 VanDerWaalsContact C-N 3.25Å; D51-L53 PolarHBondContact O-N 2.04Å; D51-L54 PolarHBondContact O-N 3.35Å
52L62.3Low72Confident125 Ų125121.1 Ų121.165%0.65465%0.648SS**G310 helixtrans-70.3-18174.3-64-180000113.7D49 P50 L54D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.93Å; P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.58Å; L52-L54 VanDerWaalsContact C-N 3.35Å
53L59.1Low72.4Confident101 Ų101118.8 Ų118.853%0.52964%0.64SS.*G310 helixtrans-83.5-13.1178.3-62.6178.4000112.9P50 D51 L55P50-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact C-N 3.25Å; D51-L53 PolarHBondContact O-N 2.04Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.41Å
54L57.9Low72.8Confident130 Ų130115.5 Ų115.568%0.68162%0.617SS**  trans-92.139.4-177-62.8176.2000112.2D51 L52 P56D51-L54 PolarHBondContact O-N 3.35Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L54-P56 WeakPolarHBondContact O-CD 3.33Å
55L60.2Low72.9Confident150 Ų150115.4 Ų115.479%0.78561%0.612SS**  trans-63.3113.6170.8-73.7172.6000108L53 S57L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.41Å; L55-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact O-N 3.07Å
56P55.2Low73Confident106 Ų106113.3 Ų113.369%0.68860%0.603SS**  trans-61.8121.4178.423.9-30.4000107.6L54 R58L54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-R58 PolarHBondContact O-N 3.28Å
57S57.4Low73.5Confident105 Ų105109.7 Ų109.773%0.73459%0.586SS**  trans-57.9102.6169.6179.60000107.6L55 N59L55-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact O-N 3.07Å; S57-N59 PolarHBondContact O-N 3.36Å
58R58.2Low74Confident234 Ų234106.3 Ų106.388%0.88357%0.573SS**  trans-68.25.5-177.6-88.9-174.9171.6-163.3-1.2113.8P56 P60P56-R58 PolarHBondContact O-N 3.28Å; R58-P60 VanDerWaalsContact O-CD 3.31Å; R58-P60 WeakPolarHBondContact O-CD 3.08Å
59N58.4Low74.6Confident95 Ų95103.8 Ų103.851%0.50856%0.56SS.*  trans-102.1106.1-179.7-83.5-45.2000111.1S57 R61 L63S57-N59 PolarHBondContact O-N 3.36Å; N59-R61 PolarHBondContact O-N 3.36Å; N59-R61 VanDerWaalsContact O-N 3.16Å; N59-L63 WeakPolarHBondContact ND2-CD1 3.42Å
60P61.4Low75.4Confident127 Ų127101.8 Ų101.883%0.82555%0.55SS**SBendtrans-68.2-10.617628.5-34.8000112.7R58R58-P60 VanDerWaalsContact O-CD 3.31Å; R58-P60 WeakPolarHBondContact O-CD 3.08Å
61R70.6Confident76.6Confident207 Ų20799.1 Ų99.178%0.78153%0.529SS*.SBendtrans-122.1125.2176.3-63.3-173.8-175.7-155.70.9109.8N59 L63N59-R61 PolarHBondContact O-N 3.36Å; N59-R61 VanDerWaalsContact O-N 3.16Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-L63 VanDerWaalsContact O-N 3.09Å
62P83.4Confident78Confident70 Ų7096.9 Ų96.946%0.45552%0.52SS..  trans-68.1110.9178.1-13.826.1000111.4H64 N65P62-H64 WeakPolarHBondContact CB-CE1 3.06Å; P62-H64 VanDerWaalsContact CB-ND1 3.33Å; P62-H64 WeakPolarHBondContact CB-ND1 3.44Å; P62-H64 PolarHBondContact O-N 2.93Å; P62-H64 VanDerWaalsContact O-N 3.12Å; P62-N65 PolarHBondContact O-N 2.9Å; P62-N65 VanDerWaalsContact O-N 3.13Å
63L90.8Very high79.6Confident105 Ų10595.3 Ų95.355%0.5551%0.506SS..Hα-helixtrans-51.9-33.8179.3-80.8143.9000113N59 R61 N65 A66 S67 W71N59-L63 WeakPolarHBondContact ND2-CD1 3.42Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-L63 VanDerWaalsContact O-N 3.09Å; L63-N65 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 2.75Å; L63-A66 VanDerWaalsContact O-N 3.11Å; L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3Å; L63-W71 HydrophobicContact CB-CH2 4.44Å
64H93.3Very high81.3Confident46 Ų4694.9 Ų94.921%0.21350%0.504CS..Hα-helixtrans-60.1-29.4-178.365.7-102.7000113.9P62 P70 W71 Y73P62-H64 WeakPolarHBondContact CB-CE1 3.06Å; P62-H64 VanDerWaalsContact CB-ND1 3.33Å; P62-H64 WeakPolarHBondContact CB-ND1 3.44Å; P62-H64 PolarHBondContact O-N 2.93Å; P62-H64 VanDerWaalsContact O-N 3.12Å; H64-P70 VanDerWaalsContact O-CA 3.28Å; H64-P70 WeakPolarHBondContact O-CA 3.32Å; H64-P70 WeakPolarHBondContact O-CB 3.4Å; H64-W71 HydrophobicContact CB-CD2 3.63Å; H64-W71 HydrophobicContact CB-CE3 4.33Å; H64-W71 HydrophobicContact CB-CG 3.88Å; H64-W71 HydrophobicContact CB-CH2 4.43Å; H64-W71 HydrophobicContact CB-CZ2 3.74Å; H64-W71 WeakPolarHBondContact CB-O 3.33Å; H64-W71 PolarHBondContact CD2-O 2.92Å; H64-W71 PolarHBondContact O-N 2.89Å; H64-Y73 HydrophobicContact CB-CE2 4.49Å
65N92.8Very high83Confident108 Ų10892.5 Ų92.558%0.57850%0.495SS*.Hα-helixtrans-87.9-26.6176.7-72.2-23.4000113.2P62 L63P62-N65 PolarHBondContact O-N 2.9Å; P62-N65 VanDerWaalsContact O-N 3.13Å; L63-N65 PolarHBondContact O-N 2.94Å
66A92.6Very high84.5Confident86 Ų8688.1 Ų88.171%0.71148%0.477SS*.Hα-helixtrans-91.4-10.3-17800000113.3L63L63-A66 PolarHBondContact O-N 2.75Å; L63-A66 VanDerWaalsContact O-N 3.11Å
67S95.9Very high86.4Confident28 Ų2890.8 Ų90.820%0.19647%0.473CS..SBendtrans-68.6144.41781800000112L63 S69L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3Å; S67-S69 PolarHBondContact O-N 3.34Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-O 3.01Å; S67-S69 VanDerWaalsContact OG-O 3.05Å; S67-S69 PolarHBondContact OG-OG 2.84Å
68I97.3Very high88.1Confident92 Ų9289 Ų8947%0.47246%0.455SS..SBendtrans-68.2-20.2168.161.6169.7000112.4P70 C96 R97 C146I68-P70 VanDerWaalsContact C-CD 3.47Å; I68-P70 WeakPolarHBondContact O-CD 3.48Å; I68-C96 CarbonylContact O-C 3.59Å; I68-C96 WeakPolarHBondContact O-CA 3.36Å; I68-R97 HydrophobicContact CB-CB 4.33Å; I68-R97 WeakPolarHBondContact O-CB 3.42Å; I68-R97 PolarHBondContact O-N 2.83Å; I68-C146 HydrophobicContact CD1-CB 3.73Å; I68-C146 HydrophobicContact CG1-CB 4.03Å
69S97.9Very high89.8Confident3 Ų383 Ų832%0.02144%0.437CS..SBendtrans-115.175.8169.651.40000107.8S67 W71 S109 C144 T145 C146S67-S69 PolarHBondContact O-N 3.34Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-O 3.01Å; S67-S69 VanDerWaalsContact OG-O 3.05Å; S67-S69 PolarHBondContact OG-OG 2.84Å; S69-W71 VanDerWaalsContact O-CE3 3.24Å; S69-S109 WeakPolarHBondContact CA-OG 3.23Å; S69-S109 WeakPolarHBondContact CB-OG 3.07Å; S69-C144 WeakPolarHBondContact O-CB 3.35Å; S69-C144 PolarHBondContact OG-O 3.4Å; S69-C144 VanDerWaalsContact OG-O 3.09Å; S69-T145 WeakPolarHBondContact OG-CA 3.22Å; S69-T145 PolarHBondContact OG-N 3.41Å; S69-C146 PolarHBondContact OG-N 3.42Å
70P97.4Very high91.4Very high18 Ų1880.3 Ų80.312%0.11743%0.426CS..  trans-69.6153.5-17029.9-36000111.8H64 I68 L92 L93H64-P70 VanDerWaalsContact O-CA 3.28Å; H64-P70 WeakPolarHBondContact O-CA 3.32Å; H64-P70 WeakPolarHBondContact O-CB 3.4Å; I68-P70 VanDerWaalsContact C-CD 3.47Å; I68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L92 HydrophobicContact CB-CD1 4.35Å; P70-L92 HydrophobicContact CG-CB 4.35Å; P70-L92 PolarHBondContact O-N 2.98Å; P70-L93 HydrophobicContact CG-CD1 3.9Å; P70-L93 HydrophobicContact CG-CG 3.95Å
71W97.9Very high92.9Very high28 Ų2874.5 Ų74.511%0.10639%0.388CS..EExtended strand (participates in β ladder)trans-139.9160179.366.694.1000112.1L63 H64 S69 Y73 A89 H90 C144L63-W71 HydrophobicContact CB-CH2 4.44Å; H64-W71 HydrophobicContact CB-CD2 3.63Å; H64-W71 HydrophobicContact CB-CE3 4.33Å; H64-W71 HydrophobicContact CB-CG 3.88Å; H64-W71 HydrophobicContact CB-CH2 4.43Å; H64-W71 HydrophobicContact CB-CZ2 3.74Å; H64-W71 WeakPolarHBondContact CB-O 3.33Å; H64-W71 PolarHBondContact CD2-O 2.92Å; H64-W71 PolarHBondContact O-N 2.89Å; S69-W71 VanDerWaalsContact O-CE3 3.24Å; W71-Y73 AromaticContact CD1-CE2 3.87Å; W71-Y73 AromaticContact CD1-CZ 3.76Å; W71-Y73 AromaticContact NE1-CE1 3.92Å; W71-Y73 AromaticContact NE1-CE2 3.44Å; W71-Y73 AromaticContact NE1-CZ 3.18Å; W71-Y73 PolarHBondContact NE1-OH 2.85Å; W71-A89 HydrophobicContact CB-CB 4.5Å; W71-A89 HydrophobicContact CG-CB 4.16Å; W71-H90 CarbonylContact C-O 3.57Å; W71-H90 WeakPolarHBondContact CA-O 3.4Å; W71-H90 VanDerWaalsContact CB-O 3.27Å; W71-H90 WeakPolarHBondContact CB-O 3.27Å; W71-C144 HydrophobicContact CB-CB 4.2Å; W71-C144 HydrophobicContact CD2-CB 4.46Å; W71-C144 HydrophobicContact CE3-CB 3.93Å; W71-C144 VanDerWaalsContact CE3-N 3.33Å; W71-C144 WeakPolarHBondContact CZ3-O 3.32Å
72T96.9Very high93.8Very high70 Ų7067 Ų6743%0.42936%0.36SS..EExtended strand (participates in β ladder)trans-115.2165.7166.6-170.60000109.6A89 H90 L92T72-A89 CarbonylContact O-C 3.5Å; T72-A89 WeakPolarHBondContact O-CA 3.45Å; T72-H90 HydrophobicContact CG2-CB 4.21Å; T72-H90 PolarHBondContact N-O 2.7Å; T72-H90 PolarHBondContact O-N 3.14Å; T72-L92 HydrophobicContact CG2-CD2 3.8Å
73Y95.9Very high94.2Very high92 Ų9265.5 Ų65.536%0.36135%0.351SS..EExtended strand (participates in β ladder)trans-107.7128174.2-71.4-76.2000110.7H64 W71 E88 A89 V142H64-Y73 HydrophobicContact CB-CE2 4.49Å; W71-Y73 AromaticContact CD1-CE2 3.87Å; W71-Y73 AromaticContact CD1-CZ 3.76Å; W71-Y73 AromaticContact NE1-CE1 3.92Å; W71-Y73 AromaticContact NE1-CE2 3.44Å; W71-Y73 AromaticContact NE1-CZ 3.18Å; W71-Y73 PolarHBondContact NE1-OH 2.85Å; Y73-E88 CarbonylContact C-O 3.54Å; Y73-E88 WeakPolarHBondContact CA-O 3.39Å; Y73-A89 HydrophobicContact CD1-CB 4.19Å; Y73-A89 HydrophobicContact CE1-CB 3.87Å; Y73-V142 PolarHBondContact OH-O 2.95Å
74N95.6Very high94.2Very high93 Ų9362.2 Ų62.250%0.49734%0.336SS..EExtended strand (participates in β ladder)trans-91.8119.3162-173.96.8000108.2S87 E88 H90N74-S87 WeakPolarHBondContact O-CA 3.19Å; N74-E88 PolarHBondContact N-O 2.81Å; N74-E88 PolarHBondContact O-N 3.44Å; N74-H90 VanDerWaalsContact CB-CD2 3.46Å; N74-H90 WeakPolarHBondContact CB-CD2 3.36Å; N74-H90 WeakPolarHBondContact CB-NE2 3.46Å
75T93.8Very high94.1Very high80 Ų8062.6 Ų62.649%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-104119.1-177.4-61.10000109.5V85 L86 S87T75-V85 HydrophobicContact CG2-CG1 3.27Å; T75-L86 WeakPolarHBondContact CA-O 3.38Å; T75-S87 PolarHBondContact OG1-OG 2.81Å
76S92.5Very high94Very high57 Ų5759 Ų5940%0.39932%0.322SS..EExtended strand (participates in β ladder)trans-105.3151.3177.265.60000110.6V85 L86S76-V85 WeakPolarHBondContact O-CA 3.48Å; S76-L86 PolarHBondContact N-O 2.82Å; S76-L86 PolarHBondContact O-N 3.01Å; S76-L86 PolarHBondContact OG-O 3.45Å
77R94.3Very high94.1Very high163 Ų16357.6 Ų57.662%0.61531%0.306SS*.EExtended strand (participates in β ladder)trans-125.2128.1176.6175.4177-86.1-85.51.3109.9E79 P84R77-E79 VanDerWaalsContact CD-OE1 3.24Å; R77-E79 WeakPolarHBondContact CD-OE1 3.4Å; R77-E79 IonicContact CZ-OE1 3.65Å; R77-E79 IonicContact NE-OE1 3.86Å; R77-E79 IonicContact NH1-OE1 2.7Å; R77-E79 PolarHBondContact NH1-OE1 2.81Å; R77-E79 IonicContact NH1-OE2 3.86Å; R77-P84 CarbonylContact C-O 3.54Å; R77-P84 VanDerWaalsContact CA-O 3.23Å; R77-P84 WeakPolarHBondContact CA-O 3.33Å
78D93.6Very high94.1Very high67 Ų6759.4 Ų59.436%0.35831%0.312SS..  trans-135.1107.2175.1-176.7-12.7000109.1S80 L81 P84D78-S80 VanDerWaalsContact CG-OG 3.22Å; D78-S80 PolarHBondContact O-N 2.91Å; D78-S80 VanDerWaalsContact O-N 3.14Å; D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.27Å; D78-S80 PolarHBondContact OD1-N 2.85Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; D78-S80 PolarHBondContact OD2-OG 2.82Å; D78-L81 HydrophobicContact CB-CB 4.45Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.07Å; D78-L81 PolarHBondContact O-N 2.9Å; D78-P84 PolarHBondContact N-O 3.34Å; D78-P84 WeakPolarHBondContact O-CA 3.49Å; D78-P84 WeakPolarHBondContact O-CB 3.3Å
79E93.3Very high94.1Very high107 Ų10755.1 Ų55.150%0.529%0.29SS..THydrogen-bonded Turntrans-66.5-12.4-179.5-61.9-58151.900113.5R77 L81R77-E79 VanDerWaalsContact CD-OE1 3.24Å; R77-E79 WeakPolarHBondContact CD-OE1 3.4Å; R77-E79 IonicContact CZ-OE1 3.65Å; R77-E79 IonicContact NE-OE1 3.86Å; R77-E79 IonicContact NH1-OE1 2.7Å; R77-E79 PolarHBondContact NH1-OE1 2.81Å; R77-E79 IonicContact NH1-OE2 3.86Å; E79-L81 VanDerWaalsContact C-N 3.26Å
80S92.5Very high94.1Very high39 Ų3958.9 Ų58.927%0.27331%0.307SS..THydrogen-bonded Turntrans-79.5-9.417280.30000112.8D78 K120 R121D78-S80 VanDerWaalsContact CG-OG 3.22Å; D78-S80 PolarHBondContact O-N 2.91Å; D78-S80 VanDerWaalsContact O-N 3.14Å; D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.27Å; D78-S80 PolarHBondContact OD1-N 2.85Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; D78-S80 PolarHBondContact OD2-OG 2.82Å; S80-K120 CarbonylContact O-C 3.55Å; S80-K120 WeakPolarHBondContact O-CA 3.22Å; S80-R121 PolarHBondContact O-N 3.4Å
81L92.6Very high94.1Very high5 Ų559.9 Ų59.93%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-108.7157-178.8-60.3-178.8000112.7D78 E79 P84 L86 V118 L119 K120D78-L81 HydrophobicContact CB-CB 4.45Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.07Å; D78-L81 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.26Å; L81-P84 WeakPolarHBondContact O-CA 3.17Å; L81-L86 HydrophobicContact CD1-CD1 4.36Å; L81-V118 HydrophobicContact CD1-CG2 4.45Å; L81-V118 HydrophobicContact CD2-CG2 4.09Å; L81-L119 CarbonylContact C-O 3.57Å; L81-L119 VanDerWaalsContact CA-O 3.28Å; L81-L119 WeakPolarHBondContact CA-O 3.41Å; L81-K120 HydrophobicContact CD2-CB 3.75Å; L81-K120 HydrophobicContact CD2-CG 3.97Å
82Y90.1Very high94.1Very high49 Ų4963.3 Ų63.319%0.19233%0.334CS..EExtended strand (participates in β ladder)trans-130.5126.3164-177.7-82.8000109.8L48 L119L48-Y82 HydrophobicContact CB-CE1 4.48Å; L48-Y82 HydrophobicContact CD1-CD1 4.14Å; L48-Y82 HydrophobicContact CD1-CD2 4.05Å; L48-Y82 HydrophobicContact CD1-CE1 4.14Å; L48-Y82 HydrophobicContact CD1-CE2 4.04Å; L48-Y82 HydrophobicContact CD1-CG 4.08Å; L48-Y82 HydrophobicContact CD2-CD1 4Å; L48-Y82 HydrophobicContact CD2-CE1 3.7Å; L48-Y82 HydrophobicContact CG-CE1 4.33Å; Y82-L119 HydrophobicContact CD1-CD1 4Å; Y82-L119 PolarHBondContact N-O 3.38Å; Y82-L119 PolarHBondContact O-N 3.33Å
83P90.9Very high94.2Very high40 Ų4062.3 Ų62.326%0.2633%0.326SS..SBendcis-61148.6-10.628.5-34.8000111.1V85P83-V85 PolarHBondContact O-N 2.85Å
84P90.8Very high94.2Very high36 Ų3666.6 Ų66.623%0.23435%0.346CS..SBendtrans-76-10.5-175.730-35.1000112.9R77 D78 L81R77-P84 CarbonylContact C-O 3.54Å; R77-P84 VanDerWaalsContact CA-O 3.23Å; R77-P84 WeakPolarHBondContact CA-O 3.33Å; D78-P84 PolarHBondContact N-O 3.34Å; D78-P84 WeakPolarHBondContact O-CA 3.49Å; D78-P84 WeakPolarHBondContact O-CB 3.3Å; L81-P84 WeakPolarHBondContact O-CA 3.17Å
85V91.2Very high94.3Very high54 Ų5462.3 Ų62.333%0.32732%0.324SS..EExtended strand (participates in β ladder)trans-114.3128.7-177.5179.80000109.3T75 S76 P83T75-V85 HydrophobicContact CG2-CG1 3.27Å; S76-V85 WeakPolarHBondContact O-CA 3.48Å; P83-V85 PolarHBondContact O-N 2.85Å
86L92Very high94.5Very high32 Ų3258.5 Ų58.517%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-127.6134.9173.7-69174.4000109.8T75 S76 L81 V118T75-L86 WeakPolarHBondContact CA-O 3.38Å; S76-L86 PolarHBondContact N-O 2.82Å; S76-L86 PolarHBondContact O-N 3.01Å; S76-L86 PolarHBondContact OG-O 3.45Å; L81-L86 HydrophobicContact CD1-CD1 4.36Å; L86-V118 HydrophobicContact CD1-CG1 4.19Å; L86-V118 HydrophobicContact CD2-CG1 4.09Å
87S93.3Very high94.7Very high56 Ų5662.2 Ų62.239%0.39231%0.306SS..EExtended strand (participates in β ladder)trans-110.1125.1177.2-60.70000110.3N74 T75N74-S87 WeakPolarHBondContact O-CA 3.19Å; T75-S87 PolarHBondContact OG1-OG 2.81Å
88E96.3Very high94.8Very high66 Ų6657 Ų5731%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-109.8126.5179.2-63.1-173.1154.800110Y73 N74 H90 V140 P141Y73-E88 CarbonylContact C-O 3.54Å; Y73-E88 WeakPolarHBondContact CA-O 3.39Å; N74-E88 PolarHBondContact N-O 2.81Å; N74-E88 PolarHBondContact O-N 3.44Å; E88-H90 PolarHBondContact O-CD2 2.98Å; E88-V140 HydrophobicContact CG-CG1 4.5Å; E88-P141 HydrophobicContact CB-CG 3.95Å
89A97.6Very high94.9Very high2 Ų262 Ų622%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-74.9134.2176.900000112W71 T72 Y73 P141W71-A89 HydrophobicContact CB-CB 4.5Å; W71-A89 HydrophobicContact CG-CB 4.16Å; T72-A89 CarbonylContact O-C 3.5Å; T72-A89 WeakPolarHBondContact O-CA 3.45Å; Y73-A89 HydrophobicContact CD1-CB 4.19Å; Y73-A89 HydrophobicContact CE1-CB 3.87Å; A89-P141 HydrophobicContact CB-CB 4.3Å; A89-P141 WeakPolarHBondContact CB-O 3.23Å; A89-P141 PolarHBondContact N-O 3.46Å; A89-P141 WeakPolarHBondContact O-CB 3.46Å; A89-P141 WeakPolarHBondContact O-CG 3.41Å
90H97.8Very high95Very high82 Ų8263.5 Ų63.538%0.3832%0.323SS..EExtended strand (participates in β ladder)trans-123121.5172.9-66.4-79.6000110.2W71 T72 N74 E88W71-H90 CarbonylContact C-O 3.57Å; W71-H90 WeakPolarHBondContact CA-O 3.4Å; W71-H90 VanDerWaalsContact CB-O 3.27Å; W71-H90 WeakPolarHBondContact CB-O 3.27Å; T72-H90 HydrophobicContact CG2-CB 4.21Å; T72-H90 PolarHBondContact N-O 2.7Å; T72-H90 PolarHBondContact O-N 3.14Å; N74-H90 VanDerWaalsContact CB-CD2 3.46Å; N74-H90 WeakPolarHBondContact CB-CD2 3.36Å; N74-H90 WeakPolarHBondContact CB-NE2 3.46Å; E88-H90 PolarHBondContact O-CD2 2.98Å
91C98.1Very high95.1Very high40 Ų4063 Ų6327%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-66.9134.4178.6-44.90000110.2C144C91-C144 WeakPolarHBondContact CA-SG 3.2Å; C91-C144 HydrophobicContact CB-CB 3.97Å; C91-C144 WeakPolarHBondContact CB-SG 3.38Å; C91-C144 PolarHBondContact N-SG 2.89Å; C91-C144 VanDerWaalsContact N-SG 3.35Å; C91-C144 WeakPolarHBondContact SG-CB 3.35Å; C91-C144 CovalentContact SG-SG 2.04Å; C91-C144 PolarHBondContact SG-SG 2.97Å
92L97.6Very high95.3Very high99 Ų9969.7 Ų69.752%0.51835%0.353SS..SBendtrans-86.5-23.8-177-65.2175.6000113P70 T72P70-L92 HydrophobicContact CB-CD1 4.35Å; P70-L92 HydrophobicContact CG-CB 4.35Å; P70-L92 PolarHBondContact O-N 2.98Å; T72-L92 HydrophobicContact CG2-CD2 3.8Å
93L97.6Very high95.6Very high49 Ų4971.1 Ų71.126%0.25736%0.361SS..  trans-114.3158.5179.9-58.2-178.1000110.5P70 E103 S109P70-L93 HydrophobicContact CG-CD1 3.9Å; P70-L93 HydrophobicContact CG-CG 3.95Å; L93-E103 HydrophobicContact CD1-CG 4.48Å; L93-S109 VanDerWaalsContact O-CB 3.27Å; L93-S109 WeakPolarHBondContact O-CB 3.28Å
94K97.3Very high95.9Very high183 Ų18371.4 Ų71.480%0.79636%0.36SS*.SBendtrans-87.8-45.9170-69.5-178-179.7177.60110.3E103 Q108 S109K94-E103 PolarHBondContact N-OE1 2.8Å; K94-Q108 WeakPolarHBondContact O-CA 3.36Å; K94-S109 PolarHBondContact O-N 3.1Å
95G96.9Very high96.1Very high2 Ų276.8 Ų76.82%0.02138%0.382CS..SBendtrans-84.9-155.817100000112.2E103 D104 L107 S109G95-E103 PolarHBondContact N-OE1 3.02Å; G95-D104 WeakPolarHBondContact CA-O 3.39Å; G95-L107 WeakPolarHBondContact CA-O 3.47Å; G95-S109 VanDerWaalsContact O-CB 3.3Å; G95-S109 WeakPolarHBondContact O-CB 3.36Å; G95-S109 PolarHBondContact O-N 2.86Å; G95-S109 PolarHBondContact O-OG 2.82Å
96C97.9Very high96.2Very high0 Ų080.1 Ų80.10%040%0.398CS..EExtended strand (participates in β ladder)trans-128159.6174.8-52.60000110.7I68 E103 D104 L107 C146I68-C96 CarbonylContact O-C 3.59Å; I68-C96 WeakPolarHBondContact O-CA 3.36Å; C96-E103 CarbonylContact O-C 3.57Å; C96-E103 WeakPolarHBondContact O-CA 2.99Å; C96-D104 PolarHBondContact N-O 2.83Å; C96-D104 VanDerWaalsContact N-O 3.14Å; C96-D104 PolarHBondContact O-N 3.02Å; C96-L107 HydrophobicContact CB-CB 4.02Å; C96-L107 HydrophobicContact CB-CD1 4.1Å; C96-L107 VanDerWaalsContact SG-CB 3.54Å; C96-C146 HydrophobicContact CB-CB 3.94Å; C96-C146 WeakPolarHBondContact CB-SG 3.48Å; C96-C146 WeakPolarHBondContact SG-CA 3.27Å; C96-C146 WeakPolarHBondContact SG-CB 3.39Å; C96-C146 CovalentContact SG-SG 2.02Å; C96-C146 PolarHBondContact SG-SG 2.95Å
97R97.6Very high96.4Very high135 Ų13580.6 Ų80.651%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-78.8129.3178.5-153.5168.7-161.9-178.2-2.2111I68 G101 K102I68-R97 HydrophobicContact CB-CB 4.33Å; I68-R97 WeakPolarHBondContact O-CB 3.42Å; I68-R97 PolarHBondContact O-N 2.83Å; R97-G101 VanDerWaalsContact NE-CA 3.32Å; R97-G101 PolarHBondContact NE-O 3.42Å; R97-G101 PolarHBondContact NH2-O 2.91Å; R97-K102 CarbonylContact C-O 3.55Å; R97-K102 VanDerWaalsContact CA-O 3.28Å; R97-K102 WeakPolarHBondContact CA-O 3.49Å
98D95.9Very high96.6Very high55 Ų5581 Ų8129%0.29440%0.397SS..  trans-83-175.1172.766.219.4000112.1E100 G101 K102D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.05Å; D98-E100 WeakPolarHBondContact OD1-CA 3.49Å; D98-E100 PolarHBondContact OD1-N 3.02Å; D98-G101 PolarHBondContact O-N 2.61Å; D98-G101 PolarHBondContact OD1-N 3.21Å; D98-K102 PolarHBondContact N-O 2.76Å; D98-K102 PolarHBondContact OD1-N 2.86Å; D98-K102 WeakPolarHBondContact OD2-CB 3.4Å
99L95.6Very high96.7Very high171 Ų17178.4 Ų78.490%0.89539%0.386SS*.THydrogen-bonded Turntrans-67.2-28-179.2-63176.8000112.6G101L99-G101 VanDerWaalsContact C-N 3.28Å
100E95.8Very high96.7Very high139 Ų13984.8 Ų84.865%0.6541%0.409SS*.THydrogen-bonded Turntrans-85.5-3.9178.4-65.666.6-132.100112.3D98D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.05Å; D98-E100 WeakPolarHBondContact OD1-CA 3.49Å; D98-E100 PolarHBondContact OD1-N 3.02Å
101G93.9Very high96.7Very high27 Ų2782.7 Ų82.728%0.27840%0.403SS..SBendtrans84.711.1179.500000114.4R97 D98 L99R97-G101 VanDerWaalsContact NE-CA 3.32Å; R97-G101 PolarHBondContact NE-O 3.42Å; R97-G101 PolarHBondContact NH2-O 2.91Å; D98-G101 PolarHBondContact O-N 2.61Å; D98-G101 PolarHBondContact OD1-N 3.21Å; L99-G101 VanDerWaalsContact C-N 3.28Å
102K96.6Very high96.7Very high147 Ų14784.6 Ų84.664%0.63941%0.409SS*.  trans-92.6160.9176-61.6175.3-179.1171.50110.7R97 D98R97-K102 CarbonylContact C-O 3.55Å; R97-K102 VanDerWaalsContact CA-O 3.28Å; R97-K102 WeakPolarHBondContact CA-O 3.49Å; D98-K102 PolarHBondContact N-O 2.76Å; D98-K102 PolarHBondContact OD1-N 2.86Å; D98-K102 WeakPolarHBondContact OD2-CB 3.4Å
103E97.3Very high96.7Very high78 Ų7887 Ų8736%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-85.1113.4178.3-172.3175.9179.300110.5L93 K94 G95 C96L93-E103 HydrophobicContact CD1-CG 4.48Å; K94-E103 PolarHBondContact N-OE1 2.8Å; G95-E103 PolarHBondContact N-OE1 3.02Å; C96-E103 CarbonylContact O-C 3.57Å; C96-E103 WeakPolarHBondContact O-CA 2.99Å
104D96.3Very high96.7Very high47 Ų4791.9 Ų91.925%0.25143%0.428SS..EExtended strand (participates in β ladder)trans-81.6111.3168.1-179.412.3000110.1G95 C96 N106G95-D104 WeakPolarHBondContact CA-O 3.39Å; C96-D104 PolarHBondContact N-O 2.83Å; C96-D104 VanDerWaalsContact N-O 3.14Å; C96-D104 PolarHBondContact O-N 3.02Å; D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.04Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.31Å; D104-N106 PolarHBondContact OD1-ND2 3.49Å
105Q95.1Very high96.6Very high149 Ų14989.2 Ų89.270%0.69642%0.418SS*.THydrogen-bonded Turntrans-81.2-3.8179-63.9-169.9-1800113.6L107 H149Q105-L107 PolarHBondContact O-N 2.8Å; Q105-H149 PolarHBondContact O-CE1 3.14Å; Q105-H149 VanDerWaalsContact O-CE1 3.28Å
106N93.4Very high96.4Very high123 Ų12390.8 Ų90.866%0.65843%0.427SS*.THydrogen-bonded Turntrans-77.7-8.4171.2-58-63000112.5D104 H149D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.04Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.31Å; D104-N106 PolarHBondContact OD1-ND2 3.49Å; N106-H149 PolarHBondContact O-CE1 2.98Å; N106-H149 PolarHBondContact O-ND1 2.76Å
107L96.1Very high96.2Very high43 Ų4397.2 Ų97.223%0.22546%0.459CS..EExtended strand (participates in β ladder)trans-112.8169.6174.2-58.7172.8000110G95 C96 Q105 V147 R148G95-L107 WeakPolarHBondContact CA-O 3.47Å; C96-L107 HydrophobicContact CB-CB 4.02Å; C96-L107 HydrophobicContact CB-CD1 4.1Å; C96-L107 VanDerWaalsContact SG-CB 3.54Å; Q105-L107 PolarHBondContact O-N 2.8Å; L107-V147 CarbonylContact C-O 3.54Å; L107-V147 WeakPolarHBondContact CA-O 3.22Å; L107-R148 HydrophobicContact CD2-CG 3.8Å
108Q97.6Very high96Very high65 Ų6590.9 Ų90.930%0.30444%0.436SS..EExtended strand (participates in β ladder)trans-132129.8176.9-61.2-172.4-3.300111.3K94 R110 C146 V147 H149K94-Q108 WeakPolarHBondContact O-CA 3.36Å; Q108-R110 HydrophobicContact CB-CG 4.12Å; Q108-C146 WeakPolarHBondContact O-CA 3.32Å; Q108-V147 HydrophobicContact CB-CG2 4.02Å; Q108-V147 PolarHBondContact N-O 2.98Å; Q108-V147 PolarHBondContact O-N 3.49Å; Q108-H149 PolarHBondContact NE2-CD2 3.44Å; Q108-H149 PolarHBondContact NE2-NE2 3.06Å
109S98.2Very high95.9Very high11 Ų1189.4 Ų89.48%0.07743%0.427CS..EExtended strand (participates in β ladder)trans-75.9119163.1-78.80000109.4S69 L93 K94 G95 T145S69-S109 WeakPolarHBondContact CA-OG 3.23Å; S69-S109 WeakPolarHBondContact CB-OG 3.07Å; L93-S109 VanDerWaalsContact O-CB 3.27Å; L93-S109 WeakPolarHBondContact O-CB 3.28Å; K94-S109 PolarHBondContact O-N 3.1Å; G95-S109 VanDerWaalsContact O-CB 3.3Å; G95-S109 WeakPolarHBondContact O-CB 3.36Å; G95-S109 PolarHBondContact O-N 2.86Å; G95-S109 PolarHBondContact O-OG 2.82Å; S109-T145 WeakPolarHBondContact CA-O 3.43Å
110R98Very high95.9Very high135 Ų13584.8 Ų84.851%0.50940%0.4SS..EExtended strand (participates in β ladder)trans-125.7137.5-178.8-62.6-64.3-66.9169.3-3.8110.9Q108 C144 T145 V147Q108-R110 HydrophobicContact CB-CG 4.12Å; R110-C144 CarbonylContact O-C 3.57Å; R110-C144 VanDerWaalsContact O-CA 3.32Å; R110-C144 WeakPolarHBondContact O-CA 3.3Å; R110-T145 PolarHBondContact N-O 3.31Å; R110-T145 PolarHBondContact O-N 3.25Å; R110-V147 HydrophobicContact CB-CG2 4.42Å; R110-V147 HydrophobicContact CG-CG2 3.58Å
111P98Very high95.7Very high38 Ų3882.8 Ų82.825%0.24739%0.387CS..EExtended strand (participates in β ladder)trans-67.4140.7175.628-33.9000110.7W113 P141 G143P111-W113 HydrophobicContact CG-CZ2 4.46Å; P111-P141 HydrophobicContact CB-CB 3.9Å; P111-G143 CarbonylContact C-O 3.4Å; P111-G143 WeakPolarHBondContact CA-O 3.23Å
112I98.1Very high95.5Very high80 Ų8083.2 Ų83.241%0.4138%0.383SS..EExtended strand (participates in β ladder)trans-91.3115.4169.2-53.4175000107.4P141 V142 G143 T145I112-P141 CarbonylContact O-C 3.53Å; I112-P141 WeakPolarHBondContact O-CA 3.39Å; I112-V142 HydrophobicContact CB-CG2 4.31Å; I112-V142 HydrophobicContact CG2-CG2 4.25Å; I112-V142 PolarHBondContact O-N 2.81Å; I112-G143 PolarHBondContact N-O 2.83Å; I112-T145 HydrophobicContact CD1-CG2 4.36Å; I112-T145 HydrophobicContact CG1-CG2 3.89Å
113W97.8Very high95.1Very high151 Ų15185 Ų8557%0.57239%0.392SS*.EExtended strand (participates in β ladder)trans-88.5139.4179.6-67.190.5000111.3P111 N139 P141P111-W113 HydrophobicContact CG-CZ2 4.46Å; W113-N139 HydrophobicContact CE3-CB 4.15Å; W113-N139 HydrophobicContact CZ3-CB 4.5Å; W113-P141 HydrophobicContact CH2-CG 4.47Å; W113-P141 HydrophobicContact CZ3-CG 4.38Å
114Y96.4Very high94.1Very high151 Ų15183.5 Ų83.559%0.59239%0.388SS*.EExtended strand (participates in β ladder)trans-135.9145.9174-164.2-102.9000111.3V116 N139 V140Y114-V116 HydrophobicContact CD1-CG1 3.93Å; Y114-N139 WeakPolarHBondContact O-CA 3.48Å; Y114-V140 PolarHBondContact N-O 2.93Å; Y114-V140 PolarHBondContact O-N 3.48Å
115Q96.1Very high92.8Very high126 Ų12689.4 Ų89.459%0.58942%0.419SS*.EExtended strand (participates in β ladder)trans-87.6109.3174.6-76.8179.10.400109.6T137 R138 N139Q115-T137 HydrophobicContact CB-CG2 3.8Å; Q115-T137 HydrophobicContact CG-CG2 3.95Å; Q115-R138 CarbonylContact C-O 3.58Å; Q115-R138 WeakPolarHBondContact CA-O 3.31Å; Q115-N139 WeakPolarHBondContact CG-OD1 3.24Å
116V93Very high91.4Very high35 Ų3590.3 Ų90.321%0.21242%0.423CS..EExtended strand (participates in β ladder)trans-100.6149.1173.7-60.50000110.4Y114 T137 R138 V140Y114-V116 HydrophobicContact CD1-CG1 3.93Å; V116-T137 CarbonylContact O-C 3.6Å; V116-T137 WeakPolarHBondContact O-CA 3.37Å; V116-R138 HydrophobicContact CG2-CB 3.95Å; V116-R138 WeakPolarHBondContact CG2-O 3.46Å; V116-R138 PolarHBondContact N-O 3.47Å; V116-R138 PolarHBondContact O-N 3.03Å; V116-V140 HydrophobicContact CB-CG2 4.33Å; V116-V140 HydrophobicContact CG1-CG2 3.61Å; V116-V140 HydrophobicContact CG2-CG1 3.98Å; V116-V140 HydrophobicContact CG2-CG2 3.76Å
117M93.4Very high89.7Confident136 Ų13688.6 Ų88.667%0.6742%0.417SS*.EExtended strand (participates in β ladder)trans-98.1133.9174.2-69.2-173.2-6700110.2L135 E136M117-L135 HydrophobicContact CB-CD1 4.01Å; M117-L135 HydrophobicContact CG-CD1 4.44Å; M117-L135 HydrophobicContact SD-CD1 4.29Å; M117-L135 HydrophobicContact SD-CD2 4.14Å; M117-E136 WeakPolarHBondContact CA-O 2.98Å
118V93.6Very high87.9Confident2 Ų295.5 Ų95.51%0.01245%0.449CS..EExtended strand (participates in β ladder)trans-130.4153.8174.8-59.40000109.9L81 L86 E136 R138L81-V118 HydrophobicContact CD1-CG2 4.45Å; L81-V118 HydrophobicContact CD2-CG2 4.09Å; L86-V118 HydrophobicContact CD1-CG1 4.19Å; L86-V118 HydrophobicContact CD2-CG1 4.09Å; V118-E136 HydrophobicContact CG2-CB 3.96Å; V118-E136 PolarHBondContact N-O 3.3Å; V118-E136 PolarHBondContact O-N 2.86Å; V118-R138 HydrophobicContact CG2-CG 3.84Å
119L94.1Very high86.1Confident24 Ų24100.4 Ų100.413%0.12647%0.471CS..EExtended strand (participates in β ladder)trans-105.3117.6176-59.1168.4000109.3L46 L48 L81 Y82 Y133 L135L46-L119 HydrophobicContact CD2-CD1 3.39Å; L46-L119 HydrophobicContact CD2-CD2 4.13Å; L46-L119 HydrophobicContact CD2-CG 4.42Å; L48-L119 HydrophobicContact CD2-CD1 3.7Å; L81-L119 CarbonylContact C-O 3.57Å; L81-L119 VanDerWaalsContact CA-O 3.28Å; L81-L119 WeakPolarHBondContact CA-O 3.41Å; Y82-L119 HydrophobicContact CD1-CD1 4Å; Y82-L119 PolarHBondContact N-O 3.38Å; Y82-L119 PolarHBondContact O-N 3.33Å; L119-Y133 HydrophobicContact CB-CD1 3.55Å; L119-Y133 HydrophobicContact CB-CE1 4.2Å; L119-Y133 HydrophobicContact CB-CG 4.09Å; L119-L135 HydrophobicContact CD2-CB 4.42Å; L119-L135 HydrophobicContact CD2-CD1 3.71Å
120K94.6Very high85.2Confident73 Ų73102 Ų10232%0.31748%0.482SS..EExtended strand (participates in β ladder)trans-95128.6176.9-173.6175.7-175172.60111.6S80 L81 Y133 R134 E136S80-K120 CarbonylContact O-C 3.55Å; S80-K120 WeakPolarHBondContact O-CA 3.22Å; L81-K120 HydrophobicContact CD2-CB 3.75Å; L81-K120 HydrophobicContact CD2-CG 3.97Å; K120-Y133 CarbonylContact O-C 3.55Å; K120-Y133 WeakPolarHBondContact O-CA 3.24Å; K120-R134 PolarHBondContact N-O 3.01Å; K120-R134 PolarHBondContact O-N 3.31Å; K120-E136 HydrophobicContact CB-CG 4.21Å; K120-E136 VanDerWaalsContact CD-CD 3.49Å; K120-E136 WeakPolarHBondContact CD-OE1 3.47Å; K120-E136 IonicContact NZ-OE1 3.56Å
121R92.6Very high84.5Confident98 Ų98101.2 Ų101.237%0.3748%0.48SS..EExtended strand (participates in β ladder)trans-71.6124.7173.3-63179.7-171.4-173.61.7109.7S80 Y131 Y133S80-R121 PolarHBondContact O-N 3.4Å; R121-Y131 HydrophobicContact CB-CD2 4.12Å; R121-Y131 HydrophobicContact CG-CD2 3.91Å; R121-Y131 HydrophobicContact CG-CE2 4.01Å; R121-Y133 HydrophobicContact CG-CD1 3.96Å; R121-Y133 HydrophobicContact CG-CE1 3.41Å; R121-Y133 VanDerWaalsContact CG-CE1 3.41Å; R121-Y133 PolarHBondContact NE-OH 3.03Å
122V90.5Very high84.1Confident35 Ų35103.1 Ų103.121%0.21249%0.486CS..EExtended strand (participates in β ladder)trans-118.4119.6176.8-177.10000108Y131 H132 R134V122-Y131 VanDerWaalsContact O-CA 3.24Å; V122-Y131 WeakPolarHBondContact O-CA 3.38Å; V122-Y131 WeakPolarHBondContact O-CB 3.38Å; V122-H132 PolarHBondContact N-O 3.44Å; V122-H132 PolarHBondContact O-N 2.91Å; V122-R134 HydrophobicContact CG2-CB 4.04Å
123K86.3Confident83.8Confident186 Ų186102.5 Ų102.581%0.80948%0.479SS*.EExtended strand (participates in β ladder)trans-69.1141175.6-64.7-173.7178.9-1740110.1
124T77.4Confident83.5Confident46 Ų46100.9 Ų100.928%0.28247%0.472SS..  trans-97.4139.7170.8-460000108.7E126 S130T124-E126 HydrophobicContact CG2-CB 4.3Å; T124-E126 HydrophobicContact CG2-CG 4.23Å; T124-E126 PolarHBondContact O-N 3.05Å; T124-E126 VanDerWaalsContact O-N 3.1Å; T124-S130 PolarHBondContact N-O 3.4Å; T124-S130 PolarHBondContact OG1-O 2.94Å
125N69.6Low83.4Confident170 Ų17098.8 Ų98.891%0.90947%0.471SS*.THydrogen-bonded Turntrans-70.5-3.4-175.8-65-22.9000113.9
126E63.9Low83.3Confident169 Ų16994.9 Ų94.979%0.7945%0.452SS*.THydrogen-bonded Turntrans-95.9-20.2-164.6-64.4-179.6-179.900113.6T124T124-E126 HydrophobicContact CG2-CB 4.3Å; T124-E126 HydrophobicContact CG2-CG 4.23Å; T124-E126 PolarHBondContact O-N 3.05Å; T124-E126 VanDerWaalsContact O-N 3.1Å
127T59Low83.4Confident86 Ų8697.4 Ų97.453%0.52847%0.468SS..  trans-157.5140.6173.643.60000110.3H129 S130T127-H129 PolarHBondContact O-N 3.26Å; T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 WeakPolarHBondContact OG1-CB 3.45Å; T127-S130 PolarHBondContact OG1-OG 3.4Å
128E58.1Low83.4Confident189 Ų18995.4 Ų95.488%0.88345%0.453SS*.THydrogen-bonded Turntrans-58-9.6-176.7-80.4-163.413600115.2
129H60.6Low83.5Confident168 Ų168100 Ų10078%0.77848%0.477SS*.THydrogen-bonded Turntrans-1278.5-172.8-56.9-40.2000115.2T127T127-H129 PolarHBondContact O-N 3.26Å
130S77.6Confident83.6Confident44 Ų4499.1 Ų99.131%0.30847%0.473SS..  trans-102.7120.117464.90000112T124 T127T124-S130 PolarHBondContact N-O 3.4Å; T124-S130 PolarHBondContact OG1-O 2.94Å; T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 WeakPolarHBondContact OG1-CB 3.45Å; T127-S130 PolarHBondContact OG1-OG 3.4Å
131Y85Confident83.8Confident119 Ų11996 Ų9647%0.46746%0.46SS..EExtended strand (participates in β ladder)trans-127152.3170.365.3-88000110.2R121 V122 Y133R121-Y131 HydrophobicContact CB-CD2 4.12Å; R121-Y131 HydrophobicContact CG-CD2 3.91Å; R121-Y131 HydrophobicContact CG-CE2 4.01Å; V122-Y131 VanDerWaalsContact O-CA 3.24Å; V122-Y131 WeakPolarHBondContact O-CA 3.38Å; V122-Y131 WeakPolarHBondContact O-CB 3.38Å; Y131-Y133 HydrophobicContact CD2-CE2 4.42Å; Y131-Y133 HydrophobicContact CE2-CD2 4.46Å; Y131-Y133 HydrophobicContact CE2-CE1 4.48Å; Y131-Y133 AromaticContact CE2-CE2 3.73Å; Y131-Y133 HydrophobicContact CE2-CE2 3.73Å; Y131-Y133 AromaticContact CE2-CZ 3.76Å
132H88.3Confident83.9Confident78 Ų7894.2 Ų94.236%0.36146%0.46SS..EExtended strand (participates in β ladder)trans-118.7159.4168.162.2-85.3000109.8V122V122-H132 PolarHBondContact N-O 3.44Å; V122-H132 PolarHBondContact O-N 2.91Å
133Y91.5Very high84.3Confident67 Ų6792.7 Ų92.726%0.26345%0.452SS..EExtended strand (participates in β ladder)trans-90.8139.9172.5-71.7-78.3000110.8L48 L119 K120 R121 Y131L48-Y133 HydrophobicContact CD1-CE2 4.32Å; L119-Y133 HydrophobicContact CB-CD1 3.55Å; L119-Y133 HydrophobicContact CB-CE1 4.2Å; L119-Y133 HydrophobicContact CB-CG 4.09Å; K120-Y133 CarbonylContact O-C 3.55Å; K120-Y133 WeakPolarHBondContact O-CA 3.24Å; R121-Y133 HydrophobicContact CG-CD1 3.96Å; R121-Y133 HydrophobicContact CG-CE1 3.41Å; R121-Y133 VanDerWaalsContact CG-CE1 3.41Å; R121-Y133 PolarHBondContact NE-OH 3.03Å; Y131-Y133 HydrophobicContact CD2-CE2 4.42Å; Y131-Y133 HydrophobicContact CE2-CD2 4.46Å; Y131-Y133 HydrophobicContact CE2-CE1 4.48Å; Y131-Y133 AromaticContact CE2-CE2 3.73Å; Y131-Y133 HydrophobicContact CE2-CE2 3.73Å; Y131-Y133 AromaticContact CE2-CZ 3.76Å
134R92.6Very high84.8Confident116 Ų11684.1 Ų84.144%0.43842%0.415SS..EExtended strand (participates in β ladder)trans-112.9128.5165.9-177.5176.4-64.1168.66108.7K120 V122 E136K120-R134 PolarHBondContact N-O 3.01Å; K120-R134 PolarHBondContact O-N 3.31Å; V122-R134 HydrophobicContact CG2-CB 4.04Å; R134-E136 PolarHBondContact O-N 2.97Å
135L93.6Very high85.8Confident108 Ų10884.7 Ų84.757%0.56542%0.419SS*.EExtended strand (participates in β ladder)trans-69.2126171.9-169.866.3000109.5M117 L119M117-L135 HydrophobicContact CB-CD1 4.01Å; M117-L135 HydrophobicContact CG-CD1 4.44Å; M117-L135 HydrophobicContact SD-CD1 4.29Å; M117-L135 HydrophobicContact SD-CD2 4.14Å; L119-L135 HydrophobicContact CD2-CB 4.42Å; L119-L135 HydrophobicContact CD2-CD1 3.71Å
136E94.2Very high87.2Confident43 Ų4378 Ų7820%0.20139%0.385CS..EExtended strand (participates in β ladder)trans-124.8143.9174.4-66.6-168.9170.100110M117 V118 K120 R134 R138M117-E136 WeakPolarHBondContact CA-O 2.98Å; V118-E136 HydrophobicContact CG2-CB 3.96Å; V118-E136 PolarHBondContact N-O 3.3Å; V118-E136 PolarHBondContact O-N 2.86Å; K120-E136 HydrophobicContact CB-CG 4.21Å; K120-E136 VanDerWaalsContact CD-CD 3.49Å; K120-E136 WeakPolarHBondContact CD-OE1 3.47Å; K120-E136 IonicContact NZ-OE1 3.56Å; R134-E136 PolarHBondContact O-N 2.97Å; E136-R138 IonicContact OE2-CZ 3.78Å; E136-R138 IonicContact OE2-NE 3.61Å; E136-R138 IonicContact OE2-NH2 3.02Å; E136-R138 PolarHBondContact OE2-NH2 2.96Å
137T95Very high88.7Confident88 Ų8872.5 Ų72.554%0.5436%0.363SS..EExtended strand (participates in β ladder)trans-95.6136.5170.2-54.60000109.6Q115 V116Q115-T137 HydrophobicContact CB-CG2 3.8Å; Q115-T137 HydrophobicContact CG-CG2 3.95Å; V116-T137 CarbonylContact O-C 3.6Å; V116-T137 WeakPolarHBondContact O-CA 3.37Å
138R93.8Very high90.5Very high94 Ų9478.5 Ų78.536%0.35538%0.376SS..EExtended strand (participates in β ladder)trans-123135172.7-63.1-64.9-179.8116.11.4109.9Q115 V116 V118 E136 V140Q115-R138 CarbonylContact C-O 3.58Å; Q115-R138 WeakPolarHBondContact CA-O 3.31Å; V116-R138 HydrophobicContact CG2-CB 3.95Å; V116-R138 WeakPolarHBondContact CG2-O 3.46Å; V116-R138 PolarHBondContact N-O 3.47Å; V116-R138 PolarHBondContact O-N 3.03Å; V118-R138 HydrophobicContact CG2-CG 3.84Å; E136-R138 IonicContact OE2-CZ 3.78Å; E136-R138 IonicContact OE2-NE 3.61Å; E136-R138 IonicContact OE2-NH2 3.02Å; E136-R138 PolarHBondContact OE2-NH2 2.96Å; R138-V140 HydrophobicContact CB-CG1 4.29Å
139N96.1Very high91.8Very high98 Ų9873.5 Ų73.552%0.52435%0.352SS..EExtended strand (participates in β ladder)trans-86.4117.5168.4-84.9-32.2000108.1W113 Y114 Q115W113-N139 HydrophobicContact CE3-CB 4.15Å; W113-N139 HydrophobicContact CZ3-CB 4.5Å; Y114-N139 WeakPolarHBondContact O-CA 3.48Å; Q115-N139 WeakPolarHBondContact CG-OD1 3.24Å
140V95.9Very high92.9Very high7 Ų773.2 Ų73.24%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-127.1142.1179.7-62.10000110.3E88 Y114 V116 R138 V142E88-V140 HydrophobicContact CG-CG1 4.5Å; Y114-V140 PolarHBondContact N-O 2.93Å; Y114-V140 PolarHBondContact O-N 3.48Å; V116-V140 HydrophobicContact CB-CG2 4.33Å; V116-V140 HydrophobicContact CG1-CG2 3.61Å; V116-V140 HydrophobicContact CG2-CG1 3.98Å; V116-V140 HydrophobicContact CG2-CG2 3.76Å; R138-V140 HydrophobicContact CB-CG1 4.29Å; V140-V142 HydrophobicContact CG2-CG1 4.16Å
141P97.6Very high92.7Very high7 Ų777.1 Ų77.15%0.04538%0.377CS..EExtended strand (participates in β ladder)trans-75.8123.6169.930.4-30.4000109.3E88 A89 P111 I112 W113E88-P141 HydrophobicContact CB-CG 3.95Å; A89-P141 HydrophobicContact CB-CB 4.3Å; A89-P141 WeakPolarHBondContact CB-O 3.23Å; A89-P141 PolarHBondContact N-O 3.46Å; A89-P141 WeakPolarHBondContact O-CB 3.46Å; A89-P141 WeakPolarHBondContact O-CG 3.41Å; P111-P141 HydrophobicContact CB-CB 3.9Å; I112-P141 CarbonylContact O-C 3.53Å; I112-P141 WeakPolarHBondContact O-CA 3.39Å; W113-P141 HydrophobicContact CH2-CG 4.47Å; W113-P141 HydrophobicContact CZ3-CG 4.38Å
142V96.3Very high92.1Very high60 Ų6079.2 Ų79.236%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-98.2-17.1-176.7-64.80000113.4Y73 I112 V140Y73-V142 PolarHBondContact OH-O 2.95Å; I112-V142 HydrophobicContact CB-CG2 4.31Å; I112-V142 HydrophobicContact CG2-CG2 4.25Å; I112-V142 PolarHBondContact O-N 2.81Å; V140-V142 HydrophobicContact CG2-CG1 4.16Å
143G97.3Very high91.4Very high4 Ų481.8 Ų81.84%0.04141%0.412CS..EExtended strand (participates in β ladder)trans-177.4-172.6177.500000110.9P111 I112P111-G143 CarbonylContact C-O 3.4Å; P111-G143 WeakPolarHBondContact CA-O 3.23Å; I112-G143 PolarHBondContact N-O 2.83Å
144C98.2Very high90.3Very high5 Ų587.6 Ų87.63%0.03444%0.441CS..EExtended strand (participates in β ladder)trans-123.5145.9174.9-62.60000111S69 W71 C91 R110S69-C144 WeakPolarHBondContact O-CB 3.35Å; S69-C144 PolarHBondContact OG-O 3.4Å; S69-C144 VanDerWaalsContact OG-O 3.09Å; W71-C144 HydrophobicContact CB-CB 4.2Å; W71-C144 HydrophobicContact CD2-CB 4.46Å; W71-C144 HydrophobicContact CE3-CB 3.93Å; W71-C144 VanDerWaalsContact CE3-N 3.33Å; W71-C144 WeakPolarHBondContact CZ3-O 3.32Å; C91-C144 WeakPolarHBondContact CA-SG 3.2Å; C91-C144 HydrophobicContact CB-CB 3.97Å; C91-C144 WeakPolarHBondContact CB-SG 3.38Å; C91-C144 PolarHBondContact N-SG 2.89Å; C91-C144 VanDerWaalsContact N-SG 3.35Å; C91-C144 WeakPolarHBondContact SG-CB 3.35Å; C91-C144 CovalentContact SG-SG 2.04Å; C91-C144 PolarHBondContact SG-SG 2.97Å; R110-C144 CarbonylContact O-C 3.57Å; R110-C144 VanDerWaalsContact O-CA 3.32Å; R110-C144 WeakPolarHBondContact O-CA 3.3Å
145T98.1Very high88.5Confident58 Ų5894.5 Ų94.536%0.35648%0.478SS..EExtended strand (participates in β ladder)trans-121.9159.7173.9-171.20000110.6S69 S109 R110 I112 V147S69-T145 WeakPolarHBondContact OG-CA 3.22Å; S69-T145 PolarHBondContact OG-N 3.41Å; S109-T145 WeakPolarHBondContact CA-O 3.43Å; R110-T145 PolarHBondContact N-O 3.31Å; R110-T145 PolarHBondContact O-N 3.25Å; I112-T145 HydrophobicContact CD1-CG2 4.36Å; I112-T145 HydrophobicContact CG1-CG2 3.89Å; T145-V147 HydrophobicContact CG2-CG1 4.05Å
146C97.8Very high88.3Confident29 Ų2993.8 Ų93.820%0.19647%0.474CS..EExtended strand (participates in β ladder)trans-97129.8173.4-171.40000110.6I68 S69 C96 Q108I68-C146 HydrophobicContact CD1-CB 3.73Å; I68-C146 HydrophobicContact CG1-CB 4.03Å; S69-C146 PolarHBondContact OG-N 3.42Å; C96-C146 HydrophobicContact CB-CB 3.94Å; C96-C146 WeakPolarHBondContact CB-SG 3.48Å; C96-C146 WeakPolarHBondContact SG-CA 3.27Å; C96-C146 WeakPolarHBondContact SG-CB 3.39Å; C96-C146 CovalentContact SG-SG 2.02Å; C96-C146 PolarHBondContact SG-SG 2.95Å; Q108-C146 WeakPolarHBondContact O-CA 3.32Å
147V97.1Very high88Confident55 Ų5596.5 Ų96.533%0.33349%0.489SS..EExtended strand (participates in β ladder)trans-130.8158.2177.9-58.20000111.4L107 Q108 R110 T145L107-V147 CarbonylContact C-O 3.54Å; L107-V147 WeakPolarHBondContact CA-O 3.22Å; Q108-V147 HydrophobicContact CB-CG2 4.02Å; Q108-V147 PolarHBondContact N-O 2.98Å; Q108-V147 PolarHBondContact O-N 3.49Å; R110-V147 HydrophobicContact CB-CG2 4.42Å; R110-V147 HydrophobicContact CG-CG2 3.58Å; T145-V147 HydrophobicContact CG2-CG1 4.05Å
148R94.9Very high87.6Confident212 Ų21296.9 Ų96.980%0.849%0.486SS*.EExtended strand (participates in β ladder)trans-78.7155168.8-67.5178.8178.8149.1-0.2110.2L107L107-R148 HydrophobicContact CD2-CG 3.8Å
149H87.1Confident87.2Confident84 Ų8497.1 Ų97.139%0.38949%0.493SS..  trans-58.7144.2169.5-73.377.6000110.7Q105 N106 Q108 V151Q105-H149 PolarHBondContact O-CE1 3.14Å; Q105-H149 VanDerWaalsContact O-CE1 3.28Å; N106-H149 PolarHBondContact O-CE1 2.98Å; N106-H149 PolarHBondContact O-ND1 2.76Å; Q108-H149 PolarHBondContact NE2-CD2 3.44Å; Q108-H149 PolarHBondContact NE2-NE2 3.06Å; H149-V151 PolarHBondContact O-N 3.46Å
150L81.9Confident86.6Confident161 Ų16197.1 Ų97.184%0.84349%0.491SS*.  trans-64.9109.2172.3-70.9171.2000108.8H152L150-H152 PolarHBondContact O-N 3.41Å
151V75.4Confident86Confident126 Ų126103.1 Ų103.176%0.76452%0.521SS*.  trans-80115.8171.6-176.20000107.3H149 V153H149-V151 PolarHBondContact O-N 3.46Å; V151-V153 PolarHBondContact O-N 3.41Å
152H71.3Confident85.2Confident164 Ų164109.9 Ų109.976%0.75956%0.555SS**  trans-78.3108.9165-7076.9000106.8L150 Q154L150-H152 PolarHBondContact O-N 3.41Å; H152-Q154 PolarHBondContact O-N 2.91Å
153V73.4Confident84.3Confident131 Ų131113.8 Ų113.879%0.79457%0.57SS**  trans-71.5113.8167.6-177.20000106V151 E155V151-V153 PolarHBondContact O-N 3.41Å; V153-E155 PolarHBondContact O-N 3.25Å
154Q67.8Low83.3Confident189 Ų189122.9 Ų122.988%0.88361%0.614SS**  trans-76.2117.8167.8-74.2179-1700107H152H152-Q154 PolarHBondContact O-N 2.91Å
155E56.1Low81.9Confident261 Ų261133.6 Ų133.6100%1.2267%0.667SS**  trans-90.80170.2-152.4174.1-170.300109.8V153V153-E155 PolarHBondContact O-N 3.25Å

Retrieved 155 of 155 residues in 24.9 ms (Link to these results)