A0A096NEC5_PAPAN Loading...

Secreted LY6/PLAUR domain containing 1

AlphaFold DB , UniProt , Accession A0A096NEC5, Species PAPAN (Papio anubis, Olive baboon), Gene SLURP1, Length 103 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
1M52.7Low73.9Confident209 Ų209126.2 Ų126.2100%1.0365%0.652SS**  0-36.60-68.7169.6-153.600112.9S3 R4 W5M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.75Å; M1-R4 PolarHBondContact O-N 3.29Å; M1-W5 VanDerWaalsContact O-CD1 3.29Å
2A59.3Low74.6Confident83 Ų83123.9 Ų123.969%0.68665%0.648SS**Hα-helixtrans-58.4-33.6179.200000116R4 W5 A6A2-R4 PolarHBondContact O-N 2.81Å; A2-W5 PolarHBondContact O-N 2.93Å; A2-A6 PolarHBondContact O-N 2.94Å
3S67.4Low75Confident89 Ų89118.6 Ų118.662%0.62263%0.633SS**Hα-helixtrans-65.4-32.4-176.8166.10000114.2M1 W5 A6 V7M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.75Å; S3-W5 VanDerWaalsContact C-N 3.34Å; S3-W5 PolarHBondContact O-N 3.05Å; S3-A6 PolarHBondContact O-N 2.7Å; S3-V7 WeakPolarHBondContact O-CG2 3.14Å; S3-V7 PolarHBondContact O-N 3.4Å
4R74.3Confident75.1Confident207 Ų207114.7 Ų114.778%0.78163%0.625SS**Hα-helixtrans-68.9-33.8-178.8-65.3-177.978-177.13.5112.4M1 A2 Q8M1-R4 PolarHBondContact O-N 3.29Å; A2-R4 PolarHBondContact O-N 2.81Å; R4-Q8 WeakPolarHBondContact O-CG 3.23Å; R4-Q8 PolarHBondContact O-N 3.46Å
5W73.9Confident75Confident193 Ų193121.9 Ų121.973%0.73164%0.64SS**Hα-helixtrans-72-38.7178.2-63.284.7000111.7M1 A2 S3 V7 Q8 L9M1-W5 VanDerWaalsContact O-CD1 3.29Å; A2-W5 PolarHBondContact O-N 2.93Å; S3-W5 VanDerWaalsContact C-N 3.34Å; S3-W5 PolarHBondContact O-N 3.05Å; W5-V7 PolarHBondContact O-N 2.86Å; W5-Q8 PolarHBondContact O-N 3.47Å; W5-L9 PolarHBondContact O-N 2.94Å
6A78.7Confident74.7Confident51 Ų51120.3 Ų120.342%0.42164%0.642SS.*Hα-helixtrans-62.9-41.5175.100000112A2 S3 L9 L10A2-A6 PolarHBondContact O-N 2.94Å; S3-A6 PolarHBondContact O-N 2.7Å; A6-L9 PolarHBondContact O-N 3.46Å; A6-L10 WeakPolarHBondContact O-CG 3.12Å; A6-L10 PolarHBondContact O-N 2.8Å; A6-L10 VanDerWaalsContact O-N 3.15Å
7V81.7Confident74.1Confident77 Ų77122.8 Ų122.847%0.46765%0.651SS.*Hα-helixtrans-65.6-40.8177.3173.80000111.7S3 W5 L10 L11S3-V7 WeakPolarHBondContact O-CG2 3.14Å; S3-V7 PolarHBondContact O-N 3.4Å; W5-V7 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 3.28Å; V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 WeakPolarHBondContact O-CD1 3.15Å; V7-L11 WeakPolarHBondContact O-CG 3.11Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.12Å
8Q80.4Confident73.3Confident135 Ų135119.6 Ų119.663%0.63165%0.652SS**Hα-helixtrans-63-42.4176.9-69.6-100.5-34.600112.1R4 W5 L10 L11 V12R4-Q8 WeakPolarHBondContact O-CG 3.23Å; R4-Q8 PolarHBondContact O-N 3.46Å; W5-Q8 PolarHBondContact O-N 3.47Å; Q8-L10 PolarHBondContact O-N 3.25Å; Q8-L11 PolarHBondContact O-N 3.01Å; Q8-V12 WeakPolarHBondContact O-CG2 3.32Å; Q8-V12 PolarHBondContact O-N 3.18Å; Q8-V12 VanDerWaalsContact O-N 3.16Å
9L83.6Confident72.7Confident129 Ų129120 Ų12068%0.67566%0.663SS**Hα-helixtrans-63.3-40.2177-80.5160.3000112.5W5 A6 V12 A13W5-L9 PolarHBondContact O-N 2.94Å; A6-L9 PolarHBondContact O-N 3.46Å; L9-V12 PolarHBondContact O-N 2.81Å; L9-A13 PolarHBondContact O-N 3.49Å; L9-A13 VanDerWaalsContact O-N 3.08Å
10L80.9Confident72.3Confident125 Ų125117.8 Ų117.865%0.65467%0.669SS**Hα-helixtrans-66.1-38.4177.6-71.3168.7000112.5A6 V7 Q8 A13 A14A6-L10 WeakPolarHBondContact O-CG 3.12Å; A6-L10 PolarHBondContact O-N 2.8Å; A6-L10 VanDerWaalsContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.28Å; Q8-L10 PolarHBondContact O-N 3.25Å; L10-A13 PolarHBondContact O-N 2.7Å; L10-A14 PolarHBondContact O-N 2.03Å
11L79.7Confident72.3Confident90 Ų90119.6 Ų119.647%0.47167%0.672SS.*Hα-helixtrans-65.2-42.1177.1-77157000112V7 Q8 A14 W15V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 WeakPolarHBondContact O-CD1 3.15Å; V7-L11 WeakPolarHBondContact O-CG 3.11Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-N 3.12Å; Q8-L11 PolarHBondContact O-N 3.01Å; L11-A14 PolarHBondContact O-N 2.82Å; L11-W15 PolarHBondContact O-N 3.03Å
12V83Confident73.8Confident99 Ų99111.3 Ų111.360%0.664%0.636SS**Hα-helixtrans-65.8-41176.91750000111.2Q8 L9 W15 S16Q8-V12 WeakPolarHBondContact O-CG2 3.32Å; Q8-V12 PolarHBondContact O-N 3.18Å; Q8-V12 VanDerWaalsContact O-N 3.16Å; L9-V12 PolarHBondContact O-N 2.81Å; V12-W15 PolarHBondContact O-N 3.16Å; V12-S16 PolarHBondContact O-N 2.89Å; V12-S16 VanDerWaalsContact O-N 3.12Å
13A79.5Confident75.5Confident55 Ų55108.4 Ų108.446%0.45561%0.609SS.*Hα-helixtrans-63.2-42.5176.900000112L9 L10 W15 S16L9-A13 PolarHBondContact O-N 3.49Å; L9-A13 VanDerWaalsContact O-N 3.08Å; L10-A13 PolarHBondContact O-N 2.7Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 2.84Å; A13-S16 PolarHBondContact O-N 3.18Å; A13-S16 PolarHBondContact O-OG 3.46Å
14A76Confident76.9Confident64 Ų64107.2 Ų107.253%0.52959%0.593SS.*Hα-helixtrans-63.5-34.8178.200000113L10 L11L10-A14 PolarHBondContact O-N 2.03Å; L11-A14 PolarHBondContact O-N 2.82Å
15W73.4Confident78Confident223 Ų22397.3 Ų97.385%0.84556%0.556SS**Hα-helixtrans-78-20.4176.4-73-1.5000114.1L11 V12 A13 M17L11-W15 PolarHBondContact O-N 3.03Å; V12-W15 PolarHBondContact O-N 3.16Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 2.84Å; W15-M17 PolarHBondContact O-N 3.34Å
16S70.9Confident79.1Confident96 Ų9690.2 Ų90.267%0.67153%0.529SS*.THydrogen-bonded Turntrans-73.6-12176.472.40000113.7V12 A13 G18V12-S16 PolarHBondContact O-N 2.89Å; V12-S16 VanDerWaalsContact O-N 3.12Å; A13-S16 PolarHBondContact O-N 3.18Å; A13-S16 PolarHBondContact O-OG 3.46Å; S16-G18 PolarHBondContact O-N 3.03Å
17M63.5Low79.9Confident163 Ų16388.9 Ų88.980%0.80352%0.516SS*.  trans-82.784.2-179.7-145.7143.370.500109.2W15W15-M17 PolarHBondContact O-N 3.34Å
18G61Low80.5Confident65 Ų6585.8 Ų85.867%0.6750%0.498SS*.PPolyproline II helixtrans-58.1140177.200000111.7S16 G20S16-G18 PolarHBondContact O-N 3.03Å; G18-G20 PolarHBondContact O-N 2.8Å
19C61Low80.9Confident127 Ų12788.9 Ų88.986%0.85851%0.512SS*.PPolyproline II helixtrans-60121.6165.7-65.30000107.9E21C19-E21 PolarHBondContact O-N 3.47Å
20G65.1Low81.2Confident76 Ų7689.6 Ų89.678%0.78451%0.512SS*.PPolyproline II helixtrans-60.3126.5174.700000109.8G18G18-G20 PolarHBondContact O-N 2.8Å
21E71.9Confident81.5Confident156 Ų15687.4 Ų87.473%0.72951%0.505SS*.PPolyproline II helixtrans-63.5141.3169.4-75.2-73.7132.200109.4C19C19-E21 PolarHBondContact O-N 3.47Å
22A85.2Confident81.9Confident34 Ų3486 Ų8628%0.28150%0.497SS..PPolyproline II helixtrans-70.1132.5174.600000109.9K24A22-K24 PolarHBondContact O-N 2.76Å
23L94.4Very high82.2Confident23 Ų2384.3 Ų84.312%0.1249%0.487CS..PPolyproline II helixtrans-53.2136.4178.7-176.972.2000110.6C43 D97L23-C43 HydrophobicContact CB-CB 4.24Å; L23-C43 WeakPolarHBondContact O-CB 3.16Å; L23-C43 PolarHBondContact O-N 3.25Å; L23-C43 PolarHBondContact O-SG 2.75Å; L23-C43 VanDerWaalsContact O-SG 3.34Å; L23-D97 WeakPolarHBondContact CA-OD1 3.19Å
24K96.7Very high82.6Confident63 Ų6382.5 Ų82.527%0.27447%0.471SS..EExtended strand (participates in β ladder)trans-105131.9173.5-66.5169.1-177.2163.80109.4A22 T41 H42 D97 L98A22-K24 PolarHBondContact O-N 2.76Å; K24-T41 WeakPolarHBondContact CA-O 3.4Å; K24-H42 WeakPolarHBondContact CE-CE1 3.47Å; K24-D97 HydrophobicContact CB-CB 4.29Å; K24-D97 PolarHBondContact N-OD1 3.12Å; K24-D97 CarbonylContact O-C 3.52Å; K24-D97 VanDerWaalsContact O-CA 3.3Å; K24-D97 WeakPolarHBondContact O-CA 3.41Å; K24-L98 HydrophobicContact CB-CD2 3.95Å; K24-L98 HydrophobicContact CB-CG 4.26Å; K24-L98 PolarHBondContact O-N 3.38Å
25C97.3Very high83.1Confident0 Ų082.8 Ų82.80%047%0.473CS..EExtended strand (participates in β ladder)trans-132.7158.3175.8-61.40000110.4T27 T41 C43 C50C25-T27 HydrophobicContact CB-CG2 4.43Å; C25-T41 PolarHBondContact N-O 3.09Å; C25-T41 PolarHBondContact O-N 3.34Å; C25-C43 PolarHBondContact SG-SG 2.99Å; C25-C50 HydrophobicContact CB-CB 3.79Å; C25-C50 WeakPolarHBondContact CB-SG 3.27Å; C25-C50 WeakPolarHBondContact SG-CA 3.41Å; C25-C50 WeakPolarHBondContact SG-CB 3.27Å; C25-C50 CovalentContact SG-SG 2.03Å; C25-C50 PolarHBondContact SG-SG 3.26Å
26Y97.1Very high84Confident43 Ų4375 Ų7517%0.16945%0.452CS..EExtended strand (participates in β ladder)trans-75.8135.6161.1-68.4-67.4000109.5K38 T39 I40 R71 L98 N100 S101Y26-K38 VanDerWaalsContact CD1-CA 3.47Å; Y26-K38 HydrophobicContact CD1-CB 3.84Å; Y26-K38 WeakPolarHBondContact CD1-O 3.04Å; Y26-K38 HydrophobicContact CE1-CB 3.97Å; Y26-K38 VanDerWaalsContact CE1-O 3.32Å; Y26-K38 WeakPolarHBondContact CE1-O 3.12Å; Y26-K38 HydrophobicContact CG-CB 4.5Å; Y26-T39 CarbonylContact C-O 3.47Å; Y26-T39 VanDerWaalsContact CA-O 3.27Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; Y26-I40 HydrophobicContact CD1-CG1 3.95Å; Y26-I40 HydrophobicContact CE1-CD1 4.24Å; Y26-I40 HydrophobicContact CE1-CG1 3.5Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.5Å; Y26-R71 WeakPolarHBondContact O-CB 3.49Å; Y26-L98 HydrophobicContact CD2-CB 4.34Å; Y26-L98 HydrophobicContact CD2-CD2 4.36Å; Y26-L98 HydrophobicContact CE1-CD2 4.44Å; Y26-L98 HydrophobicContact CE2-CB 3.76Å; Y26-L98 HydrophobicContact CE2-CD2 4.12Å; Y26-L98 HydrophobicContact CE2-CG 4.42Å; Y26-N100 PolarHBondContact N-OD1 2.02Å; Y26-N100 PolarHBondContact O-ND2 3.41Å; Y26-S101 VanDerWaalsContact CD2-CA 3.48Å
27T96Very high85Confident23 Ų2370.4 Ų70.414%0.14142%0.42CS..EExtended strand (participates in β ladder)trans-138.3156.3179.665.60000111.9C25 T39 T41 R71C25-T27 HydrophobicContact CB-CG2 4.43Å; T27-T39 PolarHBondContact N-O 3.3Å; T27-T39 VanDerWaalsContact O-CB 3.27Å; T27-T39 WeakPolarHBondContact O-CB 3.04Å; T27-T41 HydrophobicContact CG2-CG2 4.39Å; T27-T41 WeakPolarHBondContact OG1-CB 3.41Å; T27-T41 PolarHBondContact OG1-OG1 3.03Å; T27-R71 CarbonylContact C-O 3.5Å; T27-R71 WeakPolarHBondContact CA-O 3.08Å; T27-R71 WeakPolarHBondContact CB-O 3.29Å
28C94.7Very high86.5Confident13 Ų1366.1 Ų66.19%0.08840%0.397CS..  trans-146.9141.4166.749.70000109.9M32 C37 R71C28-M32 HydrophobicContact CB-CE 4.39Å; C28-M32 HydrophobicContact CB-CG 4Å; C28-M32 HydrophobicContact CB-SD 3.66Å; C28-C37 HydrophobicContact CB-CB 3.86Å; C28-C37 WeakPolarHBondContact CB-SG 3.22Å; C28-C37 WeakPolarHBondContact SG-CB 3.08Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.8Å; C28-R71 PolarHBondContact N-O 3.42Å
29E88.6Confident88.2Confident199 Ų19967 Ų6793%0.9339%0.39SS*.SBendtrans-76-32.6-178.2-69.5-174.515400112.8
30Q88.4Confident89.9Confident144 Ų14465.4 Ų65.467%0.67337%0.372SS*.SBendtrans-112.1153.7-179.4-66.9178.1-18.200109.8M32Q30-M32 WeakPolarHBondContact O-CG 3.46Å; Q30-M32 PolarHBondContact O-N 2.89Å
31P87.5Confident91.4Very high80 Ų8064 Ų6452%0.51935%0.348SS..  trans-63.2124.4169.5-19.431.9000110.2V55 V68P31-V55 HydrophobicContact CB-CG2 4.26Å; P31-V68 HydrophobicContact CB-CG1 3.56Å
32M89.1Confident92.5Very high59 Ų5962.5 Ų62.529%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-144.5167.3-179.514.3-178.2-56.600110C28 Q30 S34 S36 C37 V68 V69C28-M32 HydrophobicContact CB-CE 4.39Å; C28-M32 HydrophobicContact CB-CG 4Å; C28-M32 HydrophobicContact CB-SD 3.66Å; Q30-M32 WeakPolarHBondContact O-CG 3.46Å; Q30-M32 PolarHBondContact O-N 2.89Å; M32-S34 PolarHBondContact O-N 2.03Å; M32-S36 WeakPolarHBondContact CE-O 3.33Å; M32-S36 WeakPolarHBondContact CE-OG 3.3Å; M32-C37 VanDerWaalsContact CE-CA 3.48Å; M32-C37 HydrophobicContact CE-CB 4.02Å; M32-C37 VanDerWaalsContact CE-N 3.31Å; M32-C37 HydrophobicContact CG-CB 4.31Å; M32-V68 WeakPolarHBondContact O-CA 3.43Å; M32-V69 PolarHBondContact N-O 2.92Å; M32-V69 VanDerWaalsContact N-O 3.16Å; M32-V69 PolarHBondContact O-N 3.33Å
33V88.6Confident93Very high64 Ų6461.3 Ų61.339%0.38833%0.33SS..EExtended strand (participates in β ladder)trans-56.6139.8176.8-64.50000111.1A35 S36 C37V33-A35 PolarHBondContact O-N 3.46Å; V33-S36 WeakPolarHBondContact CG2-OG 2.96Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.8Å; V33-C37 PolarHBondContact O-N 2.91Å
34S87.6Confident92.9Very high18 Ų1866.3 Ų66.313%0.12635%0.351CS..THydrogen-bonded Turntrans-52.6-34-175.864.90000114.1M32 S36 P67 R71M32-S34 PolarHBondContact O-N 2.03Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 2.88Å; S34-P67 PolarHBondContact N-O 3.02Å; S34-R71 PolarHBondContact O-NH1 3.47Å
35A87.9Confident92.6Very high69 Ų6969 Ų6957%0.5738%0.375SS*.THydrogen-bonded Turntrans-64.8-33.4178.100000113.4V33V33-A35 PolarHBondContact O-N 3.46Å
36S90.8Very high92.3Very high59 Ų5973.3 Ų73.341%0.41340%0.395SS..THydrogen-bonded Turntrans-93.8-21.8-176.860.10000113.5M32 V33 S34 K38M32-S36 WeakPolarHBondContact CE-O 3.33Å; M32-S36 WeakPolarHBondContact CE-OG 3.3Å; V33-S36 WeakPolarHBondContact CG2-OG 2.96Å; V33-S36 PolarHBondContact O-N 2.66Å; V33-S36 PolarHBondContact O-OG 2.8Å; S34-S36 VanDerWaalsContact C-N 3.34Å; S34-S36 PolarHBondContact O-N 2.88Å; S36-K38 PolarHBondContact O-N 2.82Å
37C93.1Very high92.2Very high0 Ų072.5 Ų72.50%039%0.394CS..  trans-76.358.8-178.9178.20000111.8C28 M32 V33 V69 R71C28-C37 HydrophobicContact CB-CB 3.86Å; C28-C37 WeakPolarHBondContact CB-SG 3.22Å; C28-C37 WeakPolarHBondContact SG-CB 3.08Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.8Å; M32-C37 VanDerWaalsContact CE-CA 3.48Å; M32-C37 HydrophobicContact CE-CB 4.02Å; M32-C37 VanDerWaalsContact CE-N 3.31Å; M32-C37 HydrophobicContact CG-CB 4.31Å; V33-C37 PolarHBondContact O-N 2.91Å; C37-V69 HydrophobicContact CB-CG2 3.93Å; C37-R71 WeakPolarHBondContact O-CD 3.3Å; C37-R71 PolarHBondContact O-NH1 2.8Å
38K94.6Very high92.1Very high73 Ų7375.3 Ų75.332%0.31741%0.411SS..  trans-123.733.9-174.6-61.2-167.2-177.3-165.20113.2Y26 S36 I40 S101 E102Y26-K38 VanDerWaalsContact CD1-CA 3.47Å; Y26-K38 HydrophobicContact CD1-CB 3.84Å; Y26-K38 WeakPolarHBondContact CD1-O 3.04Å; Y26-K38 HydrophobicContact CE1-CB 3.97Å; Y26-K38 VanDerWaalsContact CE1-O 3.32Å; Y26-K38 WeakPolarHBondContact CE1-O 3.12Å; Y26-K38 HydrophobicContact CG-CB 4.5Å; S36-K38 PolarHBondContact O-N 2.82Å; K38-I40 PolarHBondContact O-N 2.87Å; K38-S101 WeakPolarHBondContact CE-O 3.4Å; K38-S101 PolarHBondContact NZ-O 3.49Å; K38-E102 IonicContact NZ-OE1 2.7Å; K38-E102 PolarHBondContact NZ-OE1 3.36Å; K38-E102 IonicContact NZ-OE2 2.94Å; K38-E102 PolarHBondContact NZ-OE2 2.97Å
39T96.3Very high92.1Very high83 Ų8374.7 Ų74.751%0.50941%0.407SS..EExtended strand (participates in β ladder)trans-74.1121172.8-52.30000110Y26 T27 T41Y26-T39 CarbonylContact C-O 3.47Å; Y26-T39 VanDerWaalsContact CA-O 3.27Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; T27-T39 PolarHBondContact N-O 3.3Å; T27-T39 VanDerWaalsContact O-CB 3.27Å; T27-T39 WeakPolarHBondContact O-CB 3.04Å; T39-T41 PolarHBondContact O-N 2.8Å
40I96.8Very high92.5Very high95 Ų9565.2 Ų65.249%0.48736%0.362SS..EExtended strand (participates in β ladder)trans-75.3124.3177.1-62.7173000109.2Y26 K38 L98Y26-I40 HydrophobicContact CD1-CG1 3.95Å; Y26-I40 HydrophobicContact CE1-CD1 4.24Å; Y26-I40 HydrophobicContact CE1-CG1 3.5Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.5Å; K38-I40 PolarHBondContact O-N 2.87Å; I40-L98 HydrophobicContact CB-CD2 4.49Å; I40-L98 HydrophobicContact CD1-CD1 4.41Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; I40-L98 HydrophobicContact CG2-CD2 3.98Å
41T96.2Very high92.8Very high47 Ų4760.2 Ų60.229%0.28834%0.339SS..EExtended strand (participates in β ladder)trans-127.3135.8178.4-62.30000110.2K24 C25 T27 T39 C43K24-T41 WeakPolarHBondContact CA-O 3.4Å; C25-T41 PolarHBondContact N-O 3.09Å; C25-T41 PolarHBondContact O-N 3.34Å; T27-T41 HydrophobicContact CG2-CG2 4.39Å; T27-T41 WeakPolarHBondContact OG1-CB 3.41Å; T27-T41 PolarHBondContact OG1-OG1 3.03Å; T39-T41 PolarHBondContact O-N 2.8Å; T41-C43 PolarHBondContact O-N 2.78Å
42H95.8Very high93.1Very high123 Ų12356.6 Ų56.657%0.56932%0.316SS*.EExtended strand (participates in β ladder)trans-77.8114.7166.9-70.3-104.1000108.3K24K24-H42 WeakPolarHBondContact CE-CE1 3.47Å
43C94.8Very high93.2Very high9 Ų955 Ų556%0.06131%0.31CS..  trans-69.9167.2178.3-57.20000111.3L23 C25 T41 D47 C73L23-C43 HydrophobicContact CB-CB 4.24Å; L23-C43 WeakPolarHBondContact O-CB 3.16Å; L23-C43 PolarHBondContact O-N 3.25Å; L23-C43 PolarHBondContact O-SG 2.75Å; L23-C43 VanDerWaalsContact O-SG 3.34Å; C25-C43 PolarHBondContact SG-SG 2.99Å; T41-C43 PolarHBondContact O-N 2.78Å; C43-D47 HydrophobicContact CB-CB 3.78Å; C43-C73 WeakPolarHBondContact CA-SG 3.4Å; C43-C73 HydrophobicContact CB-CB 3.55Å; C43-C73 WeakPolarHBondContact CB-SG 3.03Å; C43-C73 WeakPolarHBondContact SG-CB 3.48Å; C43-C73 CovalentContact SG-SG 2.03Å; C43-C73 PolarHBondContact SG-SG 3.01Å
44K93.6Very high93.1Very high129 Ų12953.3 Ų53.356%0.56130%0.298SS*.  trans-71.8155.7175.9-54.8-175.7-174.6173.80110.1E46 D47K44-E46 HydrophobicContact CB-CG 4.05Å; K44-E46 WeakPolarHBondContact CB-OE1 3.45Å; K44-E46 WeakPolarHBondContact CB-OE2 3.5Å; K44-E46 WeakPolarHBondContact CD-OE1 3.5Å; K44-E46 PolarHBondContact O-N 2.85Å; K44-E46 VanDerWaalsContact O-N 3.14Å; K44-D47 WeakPolarHBondContact CB-OD2 3.42Å; K44-D47 PolarHBondContact N-OD2 2.86Å; K44-D47 WeakPolarHBondContact O-CB 3.12Å; K44-D47 PolarHBondContact O-N 2.01Å
45P90.3Very high92.8Very high120 Ų12054.2 Ų54.278%0.77930%0.303SS*.THydrogen-bonded Turntrans-58.2-27.3178.1-2434.1000114D47P45-D47 VanDerWaalsContact C-N 3.35Å
46E91.1Very high91.9Very high89 Ų8954.2 Ų54.242%0.41630%0.296SS..THydrogen-bonded Turntrans-78.2-15.4175.162.7-91.7-153.200114.4K44 R75K44-E46 HydrophobicContact CB-CG 4.05Å; K44-E46 WeakPolarHBondContact CB-OE1 3.45Å; K44-E46 WeakPolarHBondContact CB-OE2 3.5Å; K44-E46 WeakPolarHBondContact CD-OE1 3.5Å; K44-E46 PolarHBondContact O-N 2.85Å; K44-E46 VanDerWaalsContact O-N 3.14Å; E46-R75 WeakPolarHBondContact O-CB 3.37Å; E46-R75 VanDerWaalsContact O-CG 3.24Å; E46-R75 WeakPolarHBondContact O-CG 3.18Å
47D94Very high90.4Very high27 Ų2755.1 Ų55.114%0.14430%0.299CS..  trans-80130.9178.8-66.7-38.2000110.2C43 K44 P45 C73 S74 R75C43-D47 HydrophobicContact CB-CB 3.78Å; K44-D47 WeakPolarHBondContact CB-OD2 3.42Å; K44-D47 PolarHBondContact N-OD2 2.86Å; K44-D47 WeakPolarHBondContact O-CB 3.12Å; K44-D47 PolarHBondContact O-N 2.01Å; P45-D47 VanDerWaalsContact C-N 3.35Å; D47-C73 HydrophobicContact CB-CB 4.09Å; D47-C73 WeakPolarHBondContact OD2-CB 3.04Å; D47-S74 VanDerWaalsContact OD1-C 3.32Å; D47-R75 PolarHBondContact OD1-N 3.24Å; D47-R75 VanDerWaalsContact OD1-N 3.07Å
48T93.9Very high88.6Confident81 Ų8162.5 Ų62.550%0.49733%0.333SS..  trans-117-11.6-176.665.50000113S74 R75 F95T48-S74 PolarHBondContact N-O 3.04Å; T48-R75 PolarHBondContact OG1-O 2.03Å; T48-F95 WeakPolarHBondContact O-CD1 3.46Å
49A95.9Very high86.7Confident0 Ų063.9 Ų63.90%036%0.358CS..EExtended strand (participates in β ladder)trans-136.9148.7-175.500000112.6S74 C77 C94 F95A49-S74 PolarHBondContact N-O 3.1Å; A49-S74 PolarHBondContact O-N 2.82Å; A49-C77 HydrophobicContact CB-CB 3.64Å; A49-C94 CarbonylContact C-O 3.56Å; A49-C94 VanDerWaalsContact CA-O 3.31Å; A49-C94 WeakPolarHBondContact CA-O 3.39Å; A49-F95 HydrophobicContact CB-CD1 3.8Å; A49-F95 HydrophobicContact CB-CE1 3.61Å; A49-F95 HydrophobicContact CB-CG 4.46Å; A49-F95 HydrophobicContact CB-CZ 4.13Å
50C96.5Very high84.7Confident0 Ų067.7 Ų67.70%037%0.37CS..EExtended strand (participates in β ladder)trans-86.9129.4159.4-50.90000108.9C25 C93 C94 C99 N100C25-C50 HydrophobicContact CB-CB 3.79Å; C25-C50 WeakPolarHBondContact CB-SG 3.27Å; C25-C50 WeakPolarHBondContact SG-CA 3.41Å; C25-C50 WeakPolarHBondContact SG-CB 3.27Å; C25-C50 CovalentContact SG-SG 2.03Å; C25-C50 PolarHBondContact SG-SG 3.26Å; C50-C93 WeakPolarHBondContact O-CA 3.47Å; C50-C94 PolarHBondContact N-O 3.18Å; C50-C94 PolarHBondContact O-N 2.98Å; C50-C99 VanDerWaalsContact SG-SG 3.64Å; C50-N100 HydrophobicContact CB-CB 3.98Å
51M95.3Very high82.5Confident39 Ų3970.8 Ų70.819%0.19238%0.381CS..EExtended strand (participates in β ladder)trans-110.6133.9178.5-176.6176.5174.900109.4R71 S72 I91 Y92M51-R71 WeakPolarHBondContact O-CA 3.48Å; M51-S72 PolarHBondContact N-O 3.25Å; M51-S72 PolarHBondContact O-N 2.77Å; M51-I91 HydrophobicContact CE-CB 4.37Å; M51-I91 HydrophobicContact CE-CD1 3.75Å; M51-I91 HydrophobicContact CE-CG1 3.84Å; M51-I91 HydrophobicContact CE-CG2 3.6Å; M51-I91 HydrophobicContact CG-CG2 3.96Å; M51-I91 HydrophobicContact SD-CG2 4.43Å; M51-Y92 WeakPolarHBondContact CA-O 3.37Å
52T93.4Very high80.6Confident5 Ų574.7 Ų74.73%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-124.8121.3172.7-550000108.7V69 R71 I91 Y92 N100 L103T52-V69 HydrophobicContact CG2-CB 4.27Å; T52-V69 HydrophobicContact CG2-CG1 4.49Å; T52-R71 HydrophobicContact CG2-CG 3.89Å; T52-I91 CarbonylContact O-C 3.58Å; T52-I91 WeakPolarHBondContact O-CA 3.18Å; T52-Y92 PolarHBondContact N-O 3.45Å; T52-Y92 PolarHBondContact O-N 3.22Å; T52-N100 WeakPolarHBondContact OG1-CB 3.37Å; T52-L103 HydrophobicContact CG2-CD1 4.19Å
53T90.5Very high78.7Confident26 Ų2674.9 Ų74.916%0.1641%0.406CS..EExtended strand (participates in β ladder)trans-105.3118176.9-55.20000108.1V55 V69 T70 H89 L90T53-V55 PolarHBondContact O-N 3.19Å; T53-V69 CarbonylContact O-C 3.59Å; T53-V69 VanDerWaalsContact O-CA 3.29Å; T53-V69 WeakPolarHBondContact O-CA 2.96Å; T53-T70 PolarHBondContact N-O 3.23Å; T53-T70 PolarHBondContact O-N 3.07Å; T53-H89 HydrophobicContact CG2-CB 3.56Å; T53-L90 WeakPolarHBondContact CA-O 3.48Å
54L87Confident77.1Confident28 Ų2882.9 Ų82.915%0.14745%0.448CS..EExtended strand (participates in β ladder)trans-81.8115.8172.3-167.6168.6000107.7T56 H89 L90 Y92 L103L54-T56 HydrophobicContact CD2-CG2 3.76Å; L54-T56 PolarHBondContact O-N 3.16Å; L54-H89 WeakPolarHBondContact O-CA 3.31Å; L54-H89 WeakPolarHBondContact O-CB 3.46Å; L54-L90 HydrophobicContact CB-CB 4.06Å; L54-L90 HydrophobicContact CD1-CD1 4.3Å; L54-L90 PolarHBondContact N-O 3.42Å; L54-Y92 HydrophobicContact CB-CE2 4.4Å; L54-Y92 HydrophobicContact CD1-CE2 4.33Å; L54-L103 HydrophobicContact CB-CD2 4.42Å; L54-L103 HydrophobicContact CD1-CD2 3.66Å; L54-L103 HydrophobicContact CG-CD2 3.89Å
55V81.4Confident75.8Confident37 Ų3782.6 Ų82.622%0.22445%0.449CS..EExtended strand (participates in β ladder)trans-87.598.1173.8-175.90000106.1P31 T53 V57 V68P31-V55 HydrophobicContact CB-CG2 4.26Å; T53-V55 PolarHBondContact O-N 3.19Å; V55-V57 PolarHBondContact O-N 3.12Å; V55-V68 HydrophobicContact CB-CB 4.32Å; V55-V68 HydrophobicContact CB-CG1 4.16Å; V55-V68 PolarHBondContact N-O 3.14Å
56T68.5Low75.1Confident69 Ų6980.1 Ų80.142%0.42344%0.435SS..  trans-58.3121.9176.940.60000108.6L54 E58 A88L54-T56 HydrophobicContact CD2-CG2 3.76Å; L54-T56 PolarHBondContact O-N 3.16Å; T56-E58 PolarHBondContact O-N 3.03Å; T56-A88 PolarHBondContact OG1-O 3.37Å
57V59.9Low74.6Confident78 Ų7878.5 Ų78.547%0.47343%0.432SS..  trans-73.8118.4154.7-175.10000103.7V55 A59 V68V55-V57 PolarHBondContact O-N 3.12Å; V57-A59 PolarHBondContact O-N 3.05Å; V57-V68 HydrophobicContact CG2-CG2 4.19Å
58E55.7Low74.3Confident154 Ų15478.8 Ų78.872%0.7244%0.435SS*.  trans-38.6115.5-177.5-70.9150.2160.500110.2T56 E60T56-E58 PolarHBondContact O-N 3.03Å; E58-E60 HydrophobicContact CB-CG 4.45Å; E58-E60 PolarHBondContact O-N 3.24Å
59A53.2Low74.2Confident102 Ų10275 Ų7584%0.84341%0.411SS*.THydrogen-bonded Turntrans-75.938.5-167.900000112.6V57 F61V57-A59 PolarHBondContact O-N 3.05Å; A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 2.95Å
60E54.7Low74Confident163 Ų16376.6 Ų76.676%0.76242%0.421SS*.THydrogen-bonded Turntrans-76.5-18.3-173.9-66.2-170.2151.700112.6E58E58-E60 HydrophobicContact CB-CG 4.45Å; E58-E60 PolarHBondContact O-N 3.24Å
61F51.5Low73.9Confident160 Ų16076.6 Ų76.670%0.70242%0.421SS*.SBendtrans-154.6151.8175.8-100.5-95.2000110A59 F63A59-F61 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 2.95Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 HydrophobicContact CB-CD2 4.27Å; F61-F63 HydrophobicContact CB-CE2 3.77Å; F61-F63 HydrophobicContact CB-CZ 4.29Å; F61-F63 VanDerWaalsContact O-CD2 3.23Å; F61-F63 WeakPolarHBondContact O-CD2 3.01Å; F61-F63 PolarHBondContact O-N 2.85Å
62P54.8Low73.9Confident130 Ų13076.7 Ų76.784%0.84443%0.426SS*.  trans-71.188.4-178.829.4-33.6000110.3
63F57.4Low74.1Confident126 Ų12677.9 Ų77.955%0.55343%0.434SS*.  trans-84.8118.3167.7-69.7-74.8000107.7F61 Q65F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 HydrophobicContact CB-CD2 4.27Å; F61-F63 HydrophobicContact CB-CE2 3.77Å; F61-F63 HydrophobicContact CB-CZ 4.29Å; F61-F63 VanDerWaalsContact O-CD2 3.23Å; F61-F63 WeakPolarHBondContact O-CD2 3.01Å; F61-F63 PolarHBondContact O-N 2.85Å; F63-Q65 HydrophobicContact CB-CB 4.38Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.01Å
64N59.6Low74.3Confident177 Ų17777.7 Ų77.795%0.94743%0.434SS*.  trans-70.435.7178.3-147.648.3000112.3
65Q67.1Low74.6Confident123 Ų12384.7 Ų84.758%0.57546%0.458SS*.PPolyproline II helixtrans-95.5136.8-172.1-62.6177.915.600108.6F63F63-Q65 HydrophobicContact CB-CB 4.38Å; F63-Q65 HydrophobicContact CB-CG 3.87Å; F63-Q65 PolarHBondContact O-N 3.01Å
66S75.7Confident75.1Confident68 Ų6887.5 Ų87.548%0.47648%0.48SS..PPolyproline II helixtrans-59.1141.7175.1-57.80000110.5V68S66-V68 PolarHBondContact O-N 3.14Å
67P81.2Confident76.2Confident55 Ų5585.4 Ų85.436%0.35747%0.467SS..PPolyproline II helixtrans-61.6139-178.925.7-33.7000110.5S34 L103S34-P67 PolarHBondContact N-O 3.02Å; P67-L103 HydrophobicContact CB-CD2 3.95Å; P67-L103 HydrophobicContact CG-CD2 3.91Å
68V86.9Confident77.6Confident34 Ų3489.5 Ų89.521%0.20648%0.483CS..EExtended strand (participates in β ladder)trans-86.3129.9172.9-178.30000108P31 M32 V55 V57 S66P31-V68 HydrophobicContact CB-CG1 3.56Å; M32-V68 WeakPolarHBondContact O-CA 3.43Å; V55-V68 HydrophobicContact CB-CB 4.32Å; V55-V68 HydrophobicContact CB-CG1 4.16Å; V55-V68 PolarHBondContact N-O 3.14Å; V57-V68 HydrophobicContact CG2-CG2 4.19Å; S66-V68 PolarHBondContact O-N 3.14Å
69V90.9Very high79.1Confident0 Ų085 Ų850%047%0.472CS..EExtended strand (participates in β ladder)trans-132.6155.7-178.4-53.70000110.7M32 C37 T52 T53 R71 L103M32-V69 PolarHBondContact N-O 2.92Å; M32-V69 VanDerWaalsContact N-O 3.16Å; M32-V69 PolarHBondContact O-N 3.33Å; C37-V69 HydrophobicContact CB-CG2 3.93Å; T52-V69 HydrophobicContact CG2-CB 4.27Å; T52-V69 HydrophobicContact CG2-CG1 4.49Å; T53-V69 CarbonylContact O-C 3.59Å; T53-V69 VanDerWaalsContact O-CA 3.29Å; T53-V69 WeakPolarHBondContact O-CA 2.96Å; V69-R71 HydrophobicContact CG2-CG 4.39Å; V69-L103 HydrophobicContact CG1-CB 4.45Å; V69-L103 HydrophobicContact CG1-CD2 3.41Å; V69-L103 VanDerWaalsContact CG1-CD2 3.41Å; V69-L103 HydrophobicContact CG1-CG 4.4Å
70T92.9Very high80.5Confident34 Ų3481.7 Ų81.721%0.20944%0.441CS..EExtended strand (participates in β ladder)trans-121.5128.2164.9-52.90000107.6T53T53-T70 PolarHBondContact N-O 3.23Å; T53-T70 PolarHBondContact O-N 3.07Å
71R94.8Very high81.6Confident1 Ų178.5 Ų78.50%0.00443%0.429CS..EExtended strand (participates in β ladder)trans-115138177.2-63.7177.6172123.3-6.2110.6Y26 T27 C28 S34 C37 M51 T52 V69 N100 S101Y26-R71 WeakPolarHBondContact O-CB 3.49Å; T27-R71 CarbonylContact C-O 3.5Å; T27-R71 WeakPolarHBondContact CA-O 3.08Å; T27-R71 WeakPolarHBondContact CB-O 3.29Å; C28-R71 PolarHBondContact N-O 3.42Å; S34-R71 PolarHBondContact O-NH1 3.47Å; C37-R71 WeakPolarHBondContact O-CD 3.3Å; C37-R71 PolarHBondContact O-NH1 2.8Å; M51-R71 WeakPolarHBondContact O-CA 3.48Å; T52-R71 HydrophobicContact CG2-CG 3.89Å; V69-R71 HydrophobicContact CG2-CG 4.39Å; R71-N100 WeakPolarHBondContact CD-O 3.38Å; R71-N100 VanDerWaalsContact CZ-O 3.27Å; R71-N100 PolarHBondContact NE-O 3.38Å; R71-N100 PolarHBondContact NH2-O 3.18Å; R71-S101 PolarHBondContact NH2-O 3.46Å
72S95.4Very high82.5Confident41 Ų4176.1 Ų76.129%0.28743%0.43SS..EExtended strand (participates in β ladder)trans-148.6162.9-178.158.60000112.1M51M51-S72 PolarHBondContact N-O 3.25Å; M51-S72 PolarHBondContact O-N 2.77Å
73C96.3Very high83.2Confident29 Ų2976.5 Ų76.520%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-83.1146.6165-55.90000109.5C43 D47C43-C73 WeakPolarHBondContact CA-SG 3.4Å; C43-C73 HydrophobicContact CB-CB 3.55Å; C43-C73 WeakPolarHBondContact CB-SG 3.03Å; C43-C73 WeakPolarHBondContact SG-CB 3.48Å; C43-C73 CovalentContact SG-SG 2.03Å; C43-C73 PolarHBondContact SG-SG 3.01Å; D47-C73 HydrophobicContact CB-CB 4.09Å; D47-C73 WeakPolarHBondContact OD2-CB 3.04Å
74S95.3Very high83.8Confident23 Ų2373.6 Ų73.616%0.16142%0.421CS..EExtended strand (participates in β ladder)trans-144.9141.4174.2-174.50000112.6D47 T48 A49 S76D47-S74 VanDerWaalsContact OD1-C 3.32Å; T48-S74 PolarHBondContact N-O 3.04Å; A49-S74 PolarHBondContact N-O 3.1Å; A49-S74 PolarHBondContact O-N 2.82Å; S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact OG-N 3.31Å; S74-S76 PolarHBondContact OG-O 3.16Å
75R93.8Very high84Confident174 Ų17473.5 Ų73.566%0.65742%0.418SS*.SBendtrans-64.6-36.3169178167-172.8-170.81.9113.2E46 D47 T48E46-R75 WeakPolarHBondContact O-CB 3.37Å; E46-R75 VanDerWaalsContact O-CG 3.24Å; E46-R75 WeakPolarHBondContact O-CG 3.18Å; D47-R75 PolarHBondContact OD1-N 3.24Å; D47-R75 VanDerWaalsContact OD1-N 3.07Å; T48-R75 PolarHBondContact OG1-O 2.03Å
76S90.6Very high83.6Confident97 Ų9771.3 Ų71.368%0.67843%0.429SS*.SBendtrans-140.5122.5179.258.50000109.1S74S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact OG-N 3.31Å; S74-S76 PolarHBondContact OG-O 3.16Å
77C91.6Very high82.8Confident24 Ų2470.5 Ų70.516%0.16243%0.426CS..  trans-119.1122.4179.8-165.40000109.3A49 C93A49-C77 HydrophobicContact CB-CB 3.64Å; C77-C93 HydrophobicContact CB-CB 3.59Å; C77-C93 WeakPolarHBondContact CB-SG 3.03Å; C77-C93 VanDerWaalsContact SG-CA 3.51Å; C77-C93 WeakPolarHBondContact SG-CB 3.45Å; C77-C93 CovalentContact SG-SG 2.01Å; C77-C93 PolarHBondContact SG-SG 3.42Å
78M89.9Confident81.7Confident165 Ų16570.9 Ų70.981%0.81343%0.434SS*.  trans-114.1114.4174.8-166175.296.100107.7I91M78-I91 WeakPolarHBondContact O-CG2 3.43Å
79A86.7Confident81Confident58 Ų5873.3 Ų73.348%0.47944%0.443SS..PPolyproline II helixtrans-65.2143.6177.100000109.8I91A79-I91 VanDerWaalsContact CA-O 3.3Å; A79-I91 WeakPolarHBondContact CA-O 3.4Å; A79-I91 WeakPolarHBondContact CB-O 3.19Å
80T84.3Confident80.7Confident33 Ų3376.1 Ų76.120%0.20246%0.458CS..PPolyproline II helixtrans-68.2135.4175.1-50.90000109A87 H89 I91T80-A87 HydrophobicContact CG2-CB 3.69Å; T80-H89 PolarHBondContact OG1-O 3.46Å; T80-I91 PolarHBondContact N-O 3.04Å; T80-I91 WeakPolarHBondContact OG1-CB 3.5Å; T80-I91 WeakPolarHBondContact OG1-CG1 3.24Å; T80-I91 PolarHBondContact OG1-N 2.68Å
81D77.1Confident80.6Confident96 Ų9676.5 Ų76.551%0.51346%0.458SS..PPolyproline II helixtrans-67.9122.1170.3-175.4-11.7000109.1D83 S84D81-D83 PolarHBondContact O-N 3.49Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D81-D83 PolarHBondContact OD1-N 3.08Å; D81-S84 WeakPolarHBondContact O-CB 3.35Å; D81-S84 PolarHBondContact O-N 3.36Å
82P69.3Low80.4Confident110 Ų11081.7 Ų81.771%0.71448%0.478SS*.THydrogen-bonded Turntrans-58.6-22.9178.925-35.9000113.5S84P82-S84 VanDerWaalsContact C-N 3.3Å
83D70.9Confident80.3Confident138 Ų13881.5 Ų81.574%0.73848%0.476SS*.THydrogen-bonded Turntrans-87.70.6179.4-63-33.9000112.8D81 I85D81-D83 PolarHBondContact O-N 3.49Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D81-D83 PolarHBondContact OD1-N 3.08Å; D83-I85 PolarHBondContact O-N 3.21Å; D83-I85 VanDerWaalsContact O-N 3.1Å
84S68.4Low80.3Confident66 Ų6681.6 Ų81.646%0.46248%0.477SS..  trans-73.5102.5179.7-1640000111.6D81 P82 G86D81-S84 WeakPolarHBondContact O-CB 3.35Å; D81-S84 PolarHBondContact O-N 3.36Å; P82-S84 VanDerWaalsContact C-N 3.3Å; S84-G86 PolarHBondContact O-N 3.44Å
85I64.3Low80.2Confident175 Ų17586.5 Ų86.590%0.89750%0.495SS*.THydrogen-bonded Turntrans-65.2122.1175.1-58.3179.2000109.6D83D83-I85 PolarHBondContact O-N 3.21Å; D83-I85 VanDerWaalsContact O-N 3.1Å
86G58.9Low80.2Confident77 Ų7787.7 Ų87.779%0.79450%0.5SS*.THydrogen-bonded Turntrans93.46.2174.100000115.8S84 A88S84-G86 PolarHBondContact O-N 3.44Å; G86-A88 PolarHBondContact O-N 3.38Å; G86-A88 VanDerWaalsContact O-N 3.16Å
87A58.4Low80.5Confident50 Ų5087.3 Ų87.341%0.41349%0.49SS..  trans-69.6110.4171.400000110.3T80 H89T80-A87 HydrophobicContact CG2-CB 3.69Å; A87-H89 PolarHBondContact O-N 3.35Å
88A59.6Low80.7Confident63 Ų6388.6 Ų88.652%0.52150%0.496SS..SBendtrans-64.4-21.6-178.600000113.5T56 G86T56-A88 PolarHBondContact OG1-O 3.37Å; G86-A88 PolarHBondContact O-N 3.38Å; G86-A88 VanDerWaalsContact O-N 3.16Å
89H71.4Confident81Confident85 Ų8582.9 Ų82.939%0.39447%0.471SS..EExtended strand (participates in β ladder)trans-143.3130.1-176-56.6-55.6000112.4T53 L54 T80 A87T53-H89 HydrophobicContact CG2-CB 3.56Å; L54-H89 WeakPolarHBondContact O-CA 3.31Å; L54-H89 WeakPolarHBondContact O-CB 3.46Å; T80-H89 PolarHBondContact OG1-O 3.46Å; A87-H89 PolarHBondContact O-N 3.35Å
90L84.6Confident81.4Confident60 Ų6080.3 Ų80.331%0.31445%0.449SS..EExtended strand (participates in β ladder)trans-79125173-78.1144000109.5T53 L54 Y92T53-L90 WeakPolarHBondContact CA-O 3.48Å; L54-L90 HydrophobicContact CB-CB 4.06Å; L54-L90 HydrophobicContact CD1-CD1 4.3Å; L54-L90 PolarHBondContact N-O 3.42Å; L90-Y92 HydrophobicContact CB-CE2 4Å
91I90.4Very high81.7Confident42 Ų4280.5 Ų80.522%0.21545%0.452CS..EExtended strand (participates in β ladder)trans-105.6126.8179-61.9165000109.5M51 T52 M78 A79 T80M51-I91 HydrophobicContact CE-CB 4.37Å; M51-I91 HydrophobicContact CE-CD1 3.75Å; M51-I91 HydrophobicContact CE-CG1 3.84Å; M51-I91 HydrophobicContact CE-CG2 3.6Å; M51-I91 HydrophobicContact CG-CG2 3.96Å; M51-I91 HydrophobicContact SD-CG2 4.43Å; T52-I91 CarbonylContact O-C 3.58Å; T52-I91 WeakPolarHBondContact O-CA 3.18Å; M78-I91 WeakPolarHBondContact O-CG2 3.43Å; A79-I91 VanDerWaalsContact CA-O 3.3Å; A79-I91 WeakPolarHBondContact CA-O 3.4Å; A79-I91 WeakPolarHBondContact CB-O 3.19Å; T80-I91 PolarHBondContact N-O 3.04Å; T80-I91 WeakPolarHBondContact OG1-CB 3.5Å; T80-I91 WeakPolarHBondContact OG1-CG1 3.24Å; T80-I91 PolarHBondContact OG1-N 2.68Å
92Y90.9Very high81.9Confident110 Ų11081.8 Ų81.843%0.43146%0.455SS..EExtended strand (participates in β ladder)trans-112.7140.3172.3-60.5-88.2000110.7M51 T52 L54 L90 L103M51-Y92 WeakPolarHBondContact CA-O 3.37Å; T52-Y92 PolarHBondContact N-O 3.45Å; T52-Y92 PolarHBondContact O-N 3.22Å; L54-Y92 HydrophobicContact CB-CE2 4.4Å; L54-Y92 HydrophobicContact CD1-CE2 4.33Å; L90-Y92 HydrophobicContact CB-CE2 4Å; Y92-L103 HydrophobicContact CD2-CD1 3.71Å; Y92-L103 HydrophobicContact CE2-CD1 3.7Å; Y92-L103 HydrophobicContact CG-CD1 4.46Å
93C94.1Very high82Confident36 Ų3681.3 Ų81.324%0.24345%0.446CS..EExtended strand (participates in β ladder)trans-129.3136.3-174-59.20000111.1C50 C77C50-C93 WeakPolarHBondContact O-CA 3.47Å; C77-C93 HydrophobicContact CB-CB 3.59Å; C77-C93 WeakPolarHBondContact CB-SG 3.03Å; C77-C93 VanDerWaalsContact SG-CA 3.51Å; C77-C93 WeakPolarHBondContact SG-CB 3.45Å; C77-C93 CovalentContact SG-SG 2.01Å; C77-C93 PolarHBondContact SG-SG 3.42Å
94C95Very high82.6Confident31 Ų3178.5 Ų78.521%0.20943%0.431CS..EExtended strand (participates in β ladder)trans-147.6156.9172.263.10000111.5A49 C50 C99A49-C94 CarbonylContact C-O 3.56Å; A49-C94 VanDerWaalsContact CA-O 3.31Å; A49-C94 WeakPolarHBondContact CA-O 3.39Å; C50-C94 PolarHBondContact N-O 3.18Å; C50-C94 PolarHBondContact O-N 2.98Å; C94-C99 HydrophobicContact CB-CB 3.76Å; C94-C99 WeakPolarHBondContact CB-SG 3.44Å; C94-C99 WeakPolarHBondContact SG-CB 3.42Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.3Å
95F94.6Very high83.3Confident126 Ų12679.1 Ų79.155%0.55343%0.429SS*.  trans-124.834.3-164.4-58.9-97.6000112.9T48 A49T48-F95 WeakPolarHBondContact O-CD1 3.46Å; A49-F95 HydrophobicContact CB-CD1 3.8Å; A49-F95 HydrophobicContact CB-CE1 3.61Å; A49-F95 HydrophobicContact CB-CG 4.46Å; A49-F95 HydrophobicContact CB-CZ 4.13Å
96R94.1Very high84.4Confident199 Ų19973.8 Ų73.875%0.75140%0.403SS*.SBendtrans-135.7155.9-179.5-68.4-179.4-177.8-970.1110.2L98 C99R96-L98 PolarHBondContact O-N 3.15Å; R96-C99 HydrophobicContact CB-CB 4.04Å; R96-C99 WeakPolarHBondContact O-CB 3.2Å; R96-C99 PolarHBondContact O-N 3.07Å; R96-C99 PolarHBondContact O-SG 3.5Å
97D95.9Very high85.9Confident89 Ų8973.6 Ų73.648%0.47638%0.38SS..THydrogen-bonded Turntrans-55.9128.3176.1-67.8-40.7000111.3L23 K24 C99L23-D97 WeakPolarHBondContact CA-OD1 3.19Å; K24-D97 HydrophobicContact CB-CB 4.29Å; K24-D97 PolarHBondContact N-OD1 3.12Å; K24-D97 CarbonylContact O-C 3.52Å; K24-D97 VanDerWaalsContact O-CA 3.3Å; K24-D97 WeakPolarHBondContact O-CA 3.41Å; D97-C99 PolarHBondContact O-N 3.36Å; D97-C99 VanDerWaalsContact O-N 3.09Å
98L95.8Very high87.6Confident52 Ų5275.1 Ų75.127%0.27238%0.378SS..THydrogen-bonded Turntrans5724.5174.8-52.7179000113.7K24 Y26 I40 R96 N100K24-L98 HydrophobicContact CB-CD2 3.95Å; K24-L98 HydrophobicContact CB-CG 4.26Å; K24-L98 PolarHBondContact O-N 3.38Å; Y26-L98 HydrophobicContact CD2-CB 4.34Å; Y26-L98 HydrophobicContact CD2-CD2 4.36Å; Y26-L98 HydrophobicContact CE1-CD2 4.44Å; Y26-L98 HydrophobicContact CE2-CB 3.76Å; Y26-L98 HydrophobicContact CE2-CD2 4.12Å; Y26-L98 HydrophobicContact CE2-CG 4.42Å; I40-L98 HydrophobicContact CB-CD2 4.49Å; I40-L98 HydrophobicContact CD1-CD1 4.41Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; I40-L98 HydrophobicContact CG2-CD2 3.98Å; R96-L98 PolarHBondContact O-N 3.15Å; L98-N100 PolarHBondContact O-N 3.42Å
99C95.6Very high89.4Confident45 Ų4575.9 Ų75.930%0.30437%0.369SS..THydrogen-bonded Turntrans-69.4-18.6-176.961.50000114.2C50 C94 R96 D97 S101C50-C99 VanDerWaalsContact SG-SG 3.64Å; C94-C99 HydrophobicContact CB-CB 3.76Å; C94-C99 WeakPolarHBondContact CB-SG 3.44Å; C94-C99 WeakPolarHBondContact SG-CB 3.42Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.3Å; R96-C99 HydrophobicContact CB-CB 4.04Å; R96-C99 WeakPolarHBondContact O-CB 3.2Å; R96-C99 PolarHBondContact O-N 3.07Å; R96-C99 PolarHBondContact O-SG 3.5Å; D97-C99 PolarHBondContact O-N 3.36Å; D97-C99 VanDerWaalsContact O-N 3.09Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 3.47Å
100N95.1Very high90.7Very high4 Ų475.2 Ų75.22%0.02137%0.367CS..THydrogen-bonded Turntrans-94.535179.666.8-26.8000112.5Y26 C50 T52 R71 L98Y26-N100 PolarHBondContact N-OD1 2.02Å; Y26-N100 PolarHBondContact O-ND2 3.41Å; C50-N100 HydrophobicContact CB-CB 3.98Å; T52-N100 WeakPolarHBondContact OG1-CB 3.37Å; R71-N100 WeakPolarHBondContact CD-O 3.38Å; R71-N100 VanDerWaalsContact CZ-O 3.27Å; R71-N100 PolarHBondContact NE-O 3.38Å; R71-N100 PolarHBondContact NH2-O 3.18Å; L98-N100 PolarHBondContact O-N 3.42Å
101S90.9Very high91.2Very high36 Ų3676.4 Ų76.425%0.25237%0.371SS..SBendtrans-65.8-39.7179.947.40000113.1Y26 K38 R71 C99Y26-S101 VanDerWaalsContact CD2-CA 3.48Å; K38-S101 WeakPolarHBondContact CE-O 3.4Å; K38-S101 PolarHBondContact NZ-O 3.49Å; R71-S101 PolarHBondContact NH2-O 3.46Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 3.47Å
102E81.6Confident91.3Very high124 Ų12479.3 Ų79.358%0.57938%0.384SS*.  trans-119.9157.3-175.7-52.2-48.4144.200111.1K38K38-E102 IonicContact NZ-OE1 2.7Å; K38-E102 PolarHBondContact NZ-OE1 3.36Å; K38-E102 IonicContact NZ-OE2 2.94Å; K38-E102 PolarHBondContact NZ-OE2 2.97Å
103L71.8Confident91.3Very high99 Ų9976.5 Ų76.552%0.51838%0.38SS..  trans-125.40163.9-174.781000106.6T52 L54 P67 V69 Y92T52-L103 HydrophobicContact CG2-CD1 4.19Å; L54-L103 HydrophobicContact CB-CD2 4.42Å; L54-L103 HydrophobicContact CD1-CD2 3.66Å; L54-L103 HydrophobicContact CG-CD2 3.89Å; P67-L103 HydrophobicContact CB-CD2 3.95Å; P67-L103 HydrophobicContact CG-CD2 3.91Å; V69-L103 HydrophobicContact CG1-CB 4.45Å; V69-L103 HydrophobicContact CG1-CD2 3.41Å; V69-L103 VanDerWaalsContact CG1-CD2 3.41Å; V69-L103 HydrophobicContact CG1-CG 4.4Å; Y92-L103 HydrophobicContact CD2-CD1 3.71Å; Y92-L103 HydrophobicContact CE2-CD1 3.7Å; Y92-L103 HydrophobicContact CG-CD1 4.46Å

Retrieved 103 of 103 residues in 263.2 ms (Link to these results)