A0A093KEN5_STRCA Loading...

Zinc finger CCHC-type and RNA-binding motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A093KEN5, Species STRCA (Struthio camelus australis), Gene n/a, Length 216 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
1M37.4Very low64.4Low246 Ų24677.5 Ų77.5100%1.21249%0.487SS*.  064.50-67.8-174.7171.300110.9G3M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2S35.8Very low67Low111 Ų11171 Ų7178%0.77645%0.447SS*.  trans-86.366.317154.30000109G4S2-G4 PolarHBondContact O-N 3.28Å
3G45.1Very low69.1Low55 Ų5571.2 Ų71.257%0.56743%0.434SS*.  trans-57.9130.2169.300000108.1M1 L5M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-L5 PolarHBondContact O-N 2.99Å
4G52.8Low71Confident70 Ų7066.1 Ų66.172%0.72240%0.403SS*.  trans-48.4117.3179.100000109.4S2 A6S2-G4 PolarHBondContact O-N 3.28Å; G4-A6 PolarHBondContact O-N 3.11Å
5L56.8Low72.5Confident74 Ų7463 Ų6339%0.38739%0.386SS..  trans-70.392.5175.3-82.285000106.4G3 K38 L57G3-L5 PolarHBondContact O-N 2.99Å; L5-K38 HydrophobicContact CD1-CD 3.69Å; L5-K38 HydrophobicContact CD2-CB 4.32Å; L5-K38 HydrophobicContact CD2-CD 3.78Å; L5-K38 HydrophobicContact CD2-CG 4.32Å; L5-K38 HydrophobicContact CG-CD 4.4Å; L5-L57 HydrophobicContact CD2-CB 4.22Å; L5-L57 HydrophobicContact CD2-CD2 3.79Å
6A62.8Low73.9Confident42 Ų4264.4 Ų64.435%0.34739%0.39SS..PPolyproline II helixtrans-58.7128.7154.900000106.5G4 S8 A92 I96G4-A6 PolarHBondContact O-N 3.11Å; A6-S8 PolarHBondContact O-N 3.31Å; A6-A92 HydrophobicContact CB-CB 4.33Å; A6-I96 HydrophobicContact CB-CD1 4.31Å
7P67.1Low75.1Confident36 Ų3661 Ų6123%0.23437%0.369CS..PPolyproline II helixtrans-60.2127.6174.3-515.3000109.3A86 D88P7-A86 HydrophobicContact CB-CB 4.03Å; P7-D88 WeakPolarHBondContact CA-OD1 3.38Å; P7-D88 WeakPolarHBondContact CB-OD1 3.32Å; P7-D88 WeakPolarHBondContact CD-OD1 3.25Å; P7-D88 WeakPolarHBondContact CG-OD1 3.5Å
8S79.8Confident76Confident40 Ų4058.4 Ų58.428%0.2835%0.354SS..PPolyproline II helixtrans-103.4167-179.861.30000109.2A6 S10 T11 L57A6-S8 PolarHBondContact O-N 3.31Å; S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-N 2.92Å; S8-S10 PolarHBondContact OG-OG 2.75Å; S8-T11 PolarHBondContact N-OG1 3.03Å; S8-T11 VanDerWaalsContact N-OG1 3.17Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.1Å; S8-T11 PolarHBondContact OG-N 3.23Å; S8-T11 PolarHBondContact OG-OG1 2.89Å; S8-L57 WeakPolarHBondContact OG-CD1 3.31Å
9K85.9Confident76.8Confident152 Ų15261.7 Ų61.766%0.66136%0.363SS*.THydrogen-bonded Turntrans-59.2-13.9169.5-62.4179.6-177.2176.20113.1K61K9-K61 HydrophobicContact CB-CD 4.06Å; K9-K61 HydrophobicContact CB-CG 4.17Å
10S92.1Very high77.5Confident19 Ų1963.2 Ų63.213%0.13338%0.383CS..THydrogen-bonded Turntrans-95.55.4173.861.10000113.8S8 F58S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-N 2.92Å; S8-S10 PolarHBondContact OG-OG 2.75Å; S10-F58 PolarHBondContact O-N 3.28Å; S10-F58 PolarHBondContact OG-O 3.07Å
11T93.3Very high78.1Confident7 Ų761.1 Ų61.14%0.04337%0.369CS..EExtended strand (participates in β ladder)trans-96.9128.9176.3-52.70000110.2S8 F55 I56 L57 A86S8-T11 PolarHBondContact N-OG1 3.03Å; S8-T11 VanDerWaalsContact N-OG1 3.17Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.1Å; S8-T11 PolarHBondContact OG-N 3.23Å; S8-T11 PolarHBondContact OG-OG1 2.89Å; T11-F55 HydrophobicContact CG2-CB 4.21Å; T11-F55 HydrophobicContact CG2-CD1 4.23Å; T11-I56 CarbonylContact C-O 3.59Å; T11-I56 WeakPolarHBondContact CA-O 3.26Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.2Å; T11-A86 HydrophobicContact CG2-CB 3.79Å; T11-A86 WeakPolarHBondContact O-CB 3.33Å; T11-A86 PolarHBondContact O-N 3.11Å
12V95.1Very high80.7Confident0 Ų052.7 Ų52.70%033%0.332CS..EExtended strand (participates in β ladder)trans-101.2130.5175.4-1780000109.4V14 F55 I56 F58 A64 C67 A83V12-V14 HydrophobicContact CG1-CG2 3.91Å; V12-F55 WeakPolarHBondContact O-CA 3.5Å; V12-I56 PolarHBondContact N-O 2.89Å; V12-I56 PolarHBondContact O-N 3.09Å; V12-F58 HydrophobicContact CB-CE2 4.19Å; V12-F58 HydrophobicContact CG2-CD2 3.82Å; V12-F58 HydrophobicContact CG2-CE2 3.61Å; V12-A64 HydrophobicContact CG2-CB 3.64Å; V12-A64 WeakPolarHBondContact CG2-O 3.49Å; V12-C67 HydrophobicContact CG2-CB 4.46Å; V12-A83 HydrophobicContact CG1-CB 4.38Å
13Y94.9Very high83.4Confident73 Ų7351 Ų5129%0.28631%0.314SS..EExtended strand (participates in β ladder)trans-91.1125.7168.5172.7-100.6000109.3V53 F55 A83 S84Y13-V53 HydrophobicContact CD2-CG1 4.04Å; Y13-V53 HydrophobicContact CE2-CG1 3.3Å; Y13-F55 HydrophobicContact CD2-CD1 4.33Å; Y13-F55 AromaticContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE2 4.32Å; Y13-F55 AromaticContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CE2-CE1 4.49Å; Y13-F55 HydrophobicContact CE2-CZ 4.05Å; Y13-F55 HydrophobicContact CG-CE1 4.49Å; Y13-A83 WeakPolarHBondContact O-CA 3.19Å; Y13-S84 PolarHBondContact N-O 2.89Å; Y13-S84 PolarHBondContact O-N 3.32Å
14V95.1Very high85.7Confident0 Ų052.5 Ų52.50%031%0.309CS..EExtended strand (participates in β ladder)trans-122.9129.1177.6-168.90000109V12 L17 F30 V53 A54 I56 I81 K82V12-V14 HydrophobicContact CG1-CG2 3.91Å; V14-L17 HydrophobicContact CB-CD1 4.06Å; V14-L17 HydrophobicContact CB-CG 4.49Å; V14-L17 HydrophobicContact CG1-CD1 3.86Å; V14-L17 HydrophobicContact CG1-CD2 3.79Å; V14-L17 HydrophobicContact CG1-CG 3.78Å; V14-F30 HydrophobicContact CB-CZ 4.45Å; V14-F30 HydrophobicContact CG1-CZ 4.15Å; V14-F30 HydrophobicContact CG2-CE1 3.71Å; V14-F30 HydrophobicContact CG2-CZ 3.69Å; V14-V53 WeakPolarHBondContact O-CA 2.97Å; V14-A54 PolarHBondContact N-O 3.12Å; V14-A54 PolarHBondContact O-N 3.41Å; V14-I56 HydrophobicContact CG2-CD1 4.2Å; V14-I81 HydrophobicContact CG1-CD1 4.37Å; V14-K82 WeakPolarHBondContact CA-O 3.42Å
15S94.4Very high87.7Confident20 Ų2051.9 Ų51.914%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-126.5162.2-179.160.80000112.2L17 K82S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.39Å; S15-K82 PolarHBondContact N-O 2.83Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 VanDerWaalsContact O-N 3.1Å; S15-K82 WeakPolarHBondContact OG-CB 3.36Å; S15-K82 PolarHBondContact OG-O 2.98Å
16N94.3Very high89.4Confident85 Ų8548.4 Ų48.446%0.45527%0.271SS..SBendtrans62.333.3-175.1-158.837.4000113.9G52 V80N16-G52 PolarHBondContact N-O 2.93Å; N16-G52 VanDerWaalsContact N-O 3.13Å; N16-V80 PolarHBondContact ND2-O 2.83Å
17L93.7Very high91Very high7 Ų751.7 Ų51.74%0.03728%0.276CS..  trans-72145.6174.3-70.8167.2000111.1V14 S15 L21 L26 G52 A54 I81V14-L17 HydrophobicContact CB-CD1 4.06Å; V14-L17 HydrophobicContact CB-CG 4.49Å; V14-L17 HydrophobicContact CG1-CD1 3.86Å; V14-L17 HydrophobicContact CG1-CD2 3.79Å; V14-L17 HydrophobicContact CG1-CG 3.78Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.39Å; L17-L21 HydrophobicContact CD2-CD1 4.09Å; L17-L26 HydrophobicContact CD1-CD1 4.32Å; L17-L26 HydrophobicContact CD1-CD2 4Å; L17-L26 HydrophobicContact CD2-CD2 4.12Å; L17-G52 PolarHBondContact N-O 2.83Å; L17-G52 WeakPolarHBondContact O-CA 3.48Å; L17-A54 HydrophobicContact CD1-CB 3.63Å; L17-I81 HydrophobicContact CD2-CG2 3.91Å
18P92.1Very high92.3Very high15 Ų1558 Ų5810%0.09730%0.295CS..  trans-62.9137.8169.927.6-35.6000110.9A20 L21 F77P18-A20 PolarHBondContact O-N 3.25Å; P18-L21 HydrophobicContact CG-CD1 3.43Å; P18-L21 VanDerWaalsContact CG-CD1 3.43Å; P18-L21 HydrophobicContact CG-CG 3.72Å; P18-L21 PolarHBondContact O-N 3.5Å; P18-L21 VanDerWaalsContact O-N 3.17Å; P18-F77 HydrophobicContact CB-CB 4.49Å; P18-F77 HydrophobicContact CG-CB 4.14Å; P18-F77 HydrophobicContact CG-CD2 3.96Å; P18-F77 HydrophobicContact CG-CG 4.37Å
19F91.3Very high92.9Very high120 Ų12057.9 Ų57.953%0.52629%0.29SS..THydrogen-bonded Turntrans-67.7-15.5-176-54.7-56.8000114L21 S50F19-L21 VanDerWaalsContact C-N 3.31Å; F19-S50 WeakPolarHBondContact CA-OG 3.47Å; F19-S50 WeakPolarHBondContact CB-OG 3.28Å; F19-S50 WeakPolarHBondContact CD1-O 3.46Å; F19-S50 WeakPolarHBondContact CD1-OG 3.35Å; F19-S50 VanDerWaalsContact CE1-O 3.31Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; F19-S50 PolarHBondContact O-OG 2.91Å
20A89.9Confident93.2Very high91 Ų9150.6 Ų50.675%0.75226%0.259SS*.THydrogen-bonded Turntrans-75.7-17.9176.400000113.1P18 T22P18-A20 PolarHBondContact O-N 3.25Å; A20-T22 PolarHBondContact O-N 3.06Å
21L90.6Very high93.3Very high20 Ų2052.4 Ų52.411%0.10527%0.271CS..  trans-72.1129.8-177-78.6173000112L17 P18 F19 D25 L26 I29 F77L17-L21 HydrophobicContact CD2-CD1 4.09Å; P18-L21 HydrophobicContact CG-CD1 3.43Å; P18-L21 VanDerWaalsContact CG-CD1 3.43Å; P18-L21 HydrophobicContact CG-CG 3.72Å; P18-L21 PolarHBondContact O-N 3.5Å; P18-L21 VanDerWaalsContact O-N 3.17Å; F19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 3.48Å; L21-D25 VanDerWaalsContact CD2-CB 3.48Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4Å; L21-I29 HydrophobicContact CD2-CD1 4.15Å; L21-F77 HydrophobicContact CD1-CD2 4.35Å; L21-F77 HydrophobicContact CD1-CE2 4.27Å; L21-F77 HydrophobicContact CD2-CD2 4.46Å; L21-F77 HydrophobicContact CD2-CE2 3.8Å; L21-F77 HydrophobicContact CD2-CZ 4.3Å; L21-F77 HydrophobicContact CG-CE2 4.36Å
22T92.4Very high93.4Very high70 Ų7060.4 Ų60.443%0.42931%0.306SS..  trans-92.9169.8175.372.60000111.6A20 N24 D25 L26A20-T22 PolarHBondContact O-N 3.06Å; T22-N24 PolarHBondContact O-N 3.38Å; T22-N24 PolarHBondContact OG1-N 3.02Å; T22-D25 WeakPolarHBondContact CB-OD2 3.48Å; T22-D25 PolarHBondContact N-OD2 3.25Å; T22-D25 PolarHBondContact O-N 3.37Å; T22-D25 VanDerWaalsContact OG1-CG 3.24Å; T22-D25 PolarHBondContact OG1-N 3.25Å; T22-D25 PolarHBondContact OG1-OD2 3.01Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å
23N92.6Very high93.3Very high74 Ų7463.2 Ų63.240%0.39632%0.316SS..Hα-helixtrans-59.9-32174.5-69.1-53.8000112.1Y27 V39 I41N23-Y27 PolarHBondContact O-N 3.23Å; N23-V39 HydrophobicContact CB-CG1 4.48Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.17Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.36Å
24N93.9Very high93.2Very high87 Ų8760.6 Ų60.647%0.46531%0.312SS..Hα-helixtrans-69.8-43.3179.9-164.4-42.3000110.6T22 L26 Y27 R28T22-N24 PolarHBondContact O-N 3.38Å; T22-N24 PolarHBondContact OG1-N 3.02Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 3.48Å; N24-Y27 WeakPolarHBondContact O-CB 3.24Å; N24-Y27 PolarHBondContact O-N 3.15Å; N24-Y27 VanDerWaalsContact O-N 3.12Å; N24-R28 WeakPolarHBondContact O-CG 2.94Å; N24-R28 PolarHBondContact O-N 3.4Å; N24-R28 PolarHBondContact OD1-NE 3.41Å
25D93.3Very high93.2Very high57 Ų5767.7 Ų67.731%0.30534%0.343SS..Hα-helixtrans-63.6-43.4179.4-52.2-44.4000111.4L21 T22 Y27 R28 I29L21-D25 HydrophobicContact CD2-CB 3.48Å; L21-D25 VanDerWaalsContact CD2-CB 3.48Å; T22-D25 WeakPolarHBondContact CB-OD2 3.48Å; T22-D25 PolarHBondContact N-OD2 3.25Å; T22-D25 PolarHBondContact O-N 3.37Å; T22-D25 VanDerWaalsContact OG1-CG 3.24Å; T22-D25 PolarHBondContact OG1-N 3.25Å; T22-D25 PolarHBondContact OG1-OD2 3.01Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.02Å; D25-R28 PolarHBondContact O-N 2.98Å; D25-I29 WeakPolarHBondContact O-CD1 3.42Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.43Å; D25-I29 PolarHBondContact O-N 2.95Å
26L93.8Very high93.2Very high1 Ų167.2 Ų67.21%0.00534%0.339CS..Hα-helixtrans-61.9-40.8173.8-66.1178000111.3L17 L21 T22 N24 R28 I29 F30 V39 I41 A54L17-L26 HydrophobicContact CD1-CD1 4.32Å; L17-L26 HydrophobicContact CD1-CD2 4Å; L17-L26 HydrophobicContact CD2-CD2 4.12Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 3.48Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.37Å; L26-I29 PolarHBondContact O-N 3.44Å; L26-F30 HydrophobicContact CB-CD2 4.4Å; L26-F30 HydrophobicContact CD2-CD2 4.34Å; L26-F30 HydrophobicContact CD2-CE2 3.77Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.18Å; L26-F30 PolarHBondContact O-N 3.28Å; L26-V39 HydrophobicContact CB-CG1 3.92Å; L26-V39 HydrophobicContact CD1-CG1 3.89Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.62Å; L26-A54 HydrophobicContact CD1-CB 3.77Å
27Y95Very high93.2Very high112 Ų11267.1 Ų67.144%0.43934%0.342SS..Hα-helixtrans-58.1-47.5175-173.9-92.1000111.4N23 N24 D25 F30 S31 V36 V39N23-Y27 PolarHBondContact O-N 3.23Å; N24-Y27 WeakPolarHBondContact O-CB 3.24Å; N24-Y27 PolarHBondContact O-N 3.15Å; N24-Y27 VanDerWaalsContact O-N 3.12Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.02Å; Y27-F30 PolarHBondContact O-N 3.48Å; Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.42Å; Y27-V36 HydrophobicContact CD2-CB 3.83Å; Y27-V36 HydrophobicContact CD2-CG1 3.8Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 4.03Å; Y27-V36 WeakPolarHBondContact CE2-O 3.46Å; Y27-V39 HydrophobicContact CD2-CG2 4.43Å
28R94.3Very high93.1Very high168 Ų16870.7 Ų70.763%0.63436%0.357SS*.Hα-helixtrans-64-44.3-180-66.4175.7-173.5-144-1.5113.2N24 D25 L26N24-R28 WeakPolarHBondContact O-CG 2.94Å; N24-R28 PolarHBondContact O-N 3.4Å; N24-R28 PolarHBondContact OD1-NE 3.41Å; D25-R28 PolarHBondContact O-N 2.98Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.37Å
29I93Very high93.1Very high37 Ų3771.1 Ų71.119%0.1936%0.359CS..Hα-helixtrans-65.3-44.8-179.1-67.5163.7000110.4L21 D25 L26 F77L21-I29 HydrophobicContact CD2-CD1 4.15Å; D25-I29 WeakPolarHBondContact O-CD1 3.42Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.43Å; D25-I29 PolarHBondContact O-N 2.95Å; L26-I29 PolarHBondContact O-N 3.44Å; I29-F77 HydrophobicContact CD1-CE2 4.37Å
30F93.2Very high93.2Very high0 Ų068.1 Ų68.10%035%0.35CS..Hα-helixtrans-84.9-19.8-172.8-72.8-101.2000113.2V14 L26 Y27 K32 Y33 V36 I56 F58 C67 L71V14-F30 HydrophobicContact CB-CZ 4.45Å; V14-F30 HydrophobicContact CG1-CZ 4.15Å; V14-F30 HydrophobicContact CG2-CE1 3.71Å; V14-F30 HydrophobicContact CG2-CZ 3.69Å; L26-F30 HydrophobicContact CB-CD2 4.4Å; L26-F30 HydrophobicContact CD2-CD2 4.34Å; L26-F30 HydrophobicContact CD2-CE2 3.77Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.18Å; L26-F30 PolarHBondContact O-N 3.28Å; Y27-F30 PolarHBondContact O-N 3.48Å; F30-K32 PolarHBondContact O-N 3.29Å; F30-K32 VanDerWaalsContact O-N 3.09Å; F30-Y33 PolarHBondContact O-N 2.94Å; F30-Y33 VanDerWaalsContact O-N 3.07Å; F30-V36 HydrophobicContact CB-CG2 4.11Å; F30-I56 HydrophobicContact CB-CD1 4.15Å; F30-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 3.36Å; F30-I56 HydrophobicContact CD2-CD1 3.49Å; F30-I56 VanDerWaalsContact CD2-CD1 3.49Å; F30-I56 HydrophobicContact CE1-CD1 3.47Å; F30-I56 VanDerWaalsContact CE1-CD1 3.47Å; F30-I56 HydrophobicContact CE2-CD1 3.59Å; F30-I56 HydrophobicContact CG-CD1 3.37Å; F30-I56 HydrophobicContact CZ-CD1 3.6Å; F30-F58 HydrophobicContact CB-CZ 4.11Å; F30-F58 HydrophobicContact CD1-CZ 4.18Å; F30-C67 WeakPolarHBondContact CD1-SG 3.33Å; F30-L71 HydrophobicContact CD1-CD1 3.72Å; F30-L71 HydrophobicContact CE1-CD1 3.16Å; F30-L71 HydrophobicContact CE2-CD1 4.39Å; F30-L71 HydrophobicContact CZ-CD1 3.56Å
31S94.3Very high93.3Very high56 Ų5665 Ų6539%0.39232%0.321SS..THydrogen-bonded Turntrans-58.9-19.6172.8-172.10000113.4Y27 Y33 G34Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.42Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.92Å; S31-G34 WeakPolarHBondContact CA-O 3.5Å
32K94.3Very high93.4Very high176 Ų17668.5 Ų68.577%0.76534%0.338SS*.THydrogen-bonded Turntrans-67.6-24.7175.9-64.6-179.6176.8-176.60113.5F30F30-K32 PolarHBondContact O-N 3.29Å; F30-K32 VanDerWaalsContact O-N 3.09Å
33Y93.2Very high93.4Very high58 Ų5870.7 Ų70.723%0.22734%0.341CS..THydrogen-bonded Turntrans-98.9-14-176.9-56.9-74.4000112.8F30 S31 S63 C67 A70 L71F30-Y33 PolarHBondContact O-N 2.94Å; F30-Y33 VanDerWaalsContact O-N 3.07Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.92Å; Y33-S63 WeakPolarHBondContact O-CB 3.41Å; Y33-C67 HydrophobicContact CD2-CB 4.42Å; Y33-C67 HydrophobicContact CG-CB 4.1Å; Y33-A70 HydrophobicContact CD1-CB 4.13Å; Y33-A70 HydrophobicContact CE1-CB 3.58Å; Y33-L71 HydrophobicContact CD2-CD1 4.21Å; Y33-L71 HydrophobicContact CE2-CD1 3.71Å; Y33-L71 HydrophobicContact CE2-CD2 3.83Å; Y33-L71 HydrophobicContact CE2-CG 3.77Å; Y33-L71 VanDerWaalsContact OH-CD2 3.29Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.29Å
34G93.6Very high93.4Very high19 Ų1969.2 Ų69.220%0.19633%0.333CS..SBendtrans161.8179.6177.100000113.2S31 V36S31-G34 WeakPolarHBondContact CA-O 3.5Å; G34-V36 PolarHBondContact O-N 3.4Å
35K94.8Very high93.2Very high148 Ų14874 Ų7464%0.64335%0.35SS*.  trans-72.4114.8-179.9-68.4178.1-178.31720110.6L59K35-L59 HydrophobicContact CB-CB 4.17Å; K35-L59 HydrophobicContact CB-CD2 4.5Å; K35-L59 HydrophobicContact CD-CD2 4.2Å; K35-L59 PolarHBondContact O-N 2.87Å
36V94.8Very high93.2Very high11 Ų1178.1 Ų78.17%0.06737%0.372CS..EExtended strand (participates in β ladder)trans-86.3125.7177.3179.20000109.7Y27 F30 G34 V39 I56 F58Y27-V36 HydrophobicContact CD2-CB 3.83Å; Y27-V36 HydrophobicContact CD2-CG1 3.8Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 4.03Å; Y27-V36 WeakPolarHBondContact CE2-O 3.46Å; F30-V36 HydrophobicContact CB-CG2 4.11Å; G34-V36 PolarHBondContact O-N 3.4Å; V36-V39 HydrophobicContact CG1-CG2 3.69Å; V36-I56 HydrophobicContact CG1-CG2 3.79Å; V36-I56 HydrophobicContact CG2-CG2 4.14Å; V36-F58 HydrophobicContact CG2-CD1 4.08Å; V36-F58 HydrophobicContact CG2-CE1 3.65Å; V36-F58 HydrophobicContact CG2-CZ 4.2Å
37V92.9Very high93.1Very high83 Ų8381.8 Ų81.850%0.50340%0.395SS..EExtended strand (participates in β ladder)trans-88.8-44.1177.8178.50000110.5L57 L59V37-L57 HydrophobicContact CB-CD2 4.03Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.92Å; V37-L57 PolarHBondContact N-O 3.5Å; V37-L59 HydrophobicContact CG2-CB 4.03Å; V37-L59 HydrophobicContact CG2-CD1 4.05Å
38K91.1Very high92.8Very high82 Ų8285.3 Ų85.336%0.35741%0.407SS..EExtended strand (participates in β ladder)trans-154.5139-177.9-176.8166.7170.8176.40112.2L5 T40 L57L5-K38 HydrophobicContact CD1-CD 3.69Å; L5-K38 HydrophobicContact CD2-CB 4.32Å; L5-K38 HydrophobicContact CD2-CD 3.78Å; L5-K38 HydrophobicContact CD2-CG 4.32Å; L5-K38 HydrophobicContact CG-CD 4.4Å; K38-T40 WeakPolarHBondContact CE-OG1 3.42Å; K38-L57 HydrophobicContact CB-CB 4.29Å; K38-L57 PolarHBondContact N-O 3.02Å; K38-L57 PolarHBondContact O-N 3.08Å
39V93.8Very high92.6Very high24 Ų2484.4 Ų84.415%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-111.7132.7171.4-178.60000108.9N23 L26 Y27 V36 I56N23-V39 HydrophobicContact CB-CG1 4.48Å; L26-V39 HydrophobicContact CB-CG1 3.92Å; L26-V39 HydrophobicContact CD1-CG1 3.89Å; Y27-V39 HydrophobicContact CD2-CG2 4.43Å; V36-V39 HydrophobicContact CG1-CG2 3.69Å; V39-I56 HydrophobicContact CG1-CG1 4.38Å; V39-I56 HydrophobicContact CG2-CG2 4.48Å
40T92.1Very high92.5Very high56 Ų5683.8 Ų83.834%0.34441%0.407SS..EExtended strand (participates in β ladder)trans-133.1107.5176.8-53.20000109.8K38 A54 F55K38-T40 WeakPolarHBondContact CE-OG1 3.42Å; T40-A54 WeakPolarHBondContact O-CA 3.38Å; T40-F55 PolarHBondContact N-O 3.42Å; T40-F55 PolarHBondContact O-N 3.44Å
41I93.5Very high92.4Very high26 Ų2689.3 Ų89.313%0.13343%0.431CS..EExtended strand (participates in β ladder)trans-82.6128.8172.7-64.2168000109.5N23 L26 K43 A54N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.17Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.36Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.62Å; I41-K43 HydrophobicContact CG2-CG 4.39Å; I41-K43 PolarHBondContact O-N 3.23Å; I41-A54 HydrophobicContact CG1-CB 4.22Å
42M91.5Very high92.3Very high94 Ų9486.9 Ų86.946%0.46341%0.414SS..EExtended strand (participates in β ladder)trans-72.9120.8170.3-87.9-166.7164.600110.1K51 V53 F55M42-K51 PolarHBondContact O-N 2.97Å; M42-V53 HydrophobicContact CB-CB 4.22Å; M42-V53 HydrophobicContact CB-CG1 4.39Å; M42-V53 PolarHBondContact N-O 3.24Å; M42-V53 HydrophobicContact SD-CG1 4.21Å; M42-F55 HydrophobicContact CE-CE2 3.58Å; M42-F55 HydrophobicContact CE-CZ 4.15Å; M42-F55 HydrophobicContact CG-CD2 4.33Å; M42-F55 HydrophobicContact CG-CE2 3.93Å; M42-F55 HydrophobicContact SD-CE2 3.75Å
43K92.4Very high92.3Very high115 Ų11579.5 Ų79.550%0.538%0.384SS..EExtended strand (participates in β ladder)trans-112150173.7-61-174178.5-170.50109.6I41 K49I41-K43 HydrophobicContact CG2-CG 4.39Å; I41-K43 PolarHBondContact O-N 3.23Å; K43-K49 CarbonylContact C-O 3.56Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å
44D92.3Very high92.4Very high43 Ų4376.7 Ų76.723%0.2337%0.373CS..  trans-70.3149.3172.2-153.515.9000111.5T47 R48 K49 K51D44-T47 WeakPolarHBondContact CB-OG1 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; D44-R48 VanDerWaalsContact O-CA 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 3.42Å; D44-K49 PolarHBondContact N-O 3.48Å; D44-K51 HydrophobicContact CB-CG 4.43Å; D44-K51 WeakPolarHBondContact OD1-CE 2.79Å; D44-K51 IonicContact OD1-NZ 2.66Å; D44-K51 PolarHBondContact OD1-NZ 3.46Å
45K90.8Very high92.4Very high187 Ų18778 Ų7881%0.81337%0.373SS*.THydrogen-bonded Turntrans-73.7-42.7-175.4-65.5-173.9179.4-172.80111
46D93.3Very high92.4Very high144 Ų14470.9 Ų70.977%0.7734%0.343SS*.THydrogen-bonded Turntrans-84.8-54.6-173.2-48.2-45.3000110.7R48D46-R48 VanDerWaalsContact C-N 3.34Å; D46-R48 PolarHBondContact O-N 3.22Å
47T91.9Very high92.4Very high78 Ų7871.9 Ų71.948%0.47935%0.347SS..THydrogen-bonded Turntrans-80.7-13.6-176.165.20000113.9D44 K49D44-T47 WeakPolarHBondContact CB-OG1 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; T47-K49 PolarHBondContact O-N 3.15Å
48R88Confident92.5Very high186 Ų18668 Ų6870%0.70232%0.324SS*.  trans55.37-173.6-62-75.6-76.4-168-8.3114.9D44 D46D44-R48 VanDerWaalsContact O-CA 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 3.42Å; D46-R48 VanDerWaalsContact C-N 3.34Å; D46-R48 PolarHBondContact O-N 3.22Å
49K89.5Confident92.5Very high150 Ų15069 Ų6965%0.65233%0.332SS*.  trans-75.5150.1176.5-66.2-179.9-177.2178.70110K43 D44 T47K43-K49 CarbonylContact C-O 3.56Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å; D44-K49 PolarHBondContact N-O 3.48Å; T47-K49 PolarHBondContact O-N 3.15Å
50S91.7Very high92.5Very high24 Ų2471.6 Ų71.617%0.16835%0.345CS..EExtended strand (participates in β ladder)trans-65.4135.2173.652.40000110.5F19 G52F19-S50 WeakPolarHBondContact CA-OG 3.47Å; F19-S50 WeakPolarHBondContact CB-OG 3.28Å; F19-S50 WeakPolarHBondContact CD1-O 3.46Å; F19-S50 WeakPolarHBondContact CD1-OG 3.35Å; F19-S50 VanDerWaalsContact CE1-O 3.31Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; F19-S50 PolarHBondContact O-OG 2.91Å; S50-G52 PolarHBondContact O-N 3.46Å
51K91.6Very high92.6Very high116 Ų11673.9 Ų73.950%0.50435%0.35SS..EExtended strand (participates in β ladder)trans-79.54173.5-68-169.2171.5-179.90113.5M42 D44 V53M42-K51 PolarHBondContact O-N 2.97Å; D44-K51 HydrophobicContact CB-CG 4.43Å; D44-K51 WeakPolarHBondContact OD1-CE 2.79Å; D44-K51 IonicContact OD1-NZ 2.66Å; D44-K51 PolarHBondContact OD1-NZ 3.46Å; K51-V53 PolarHBondContact O-N 2.99Å
52G92.4Very high92.6Very high4 Ų479.9 Ų79.94%0.04138%0.378CS..EExtended strand (participates in β ladder)trans68.624-173.800000112.7N16 L17 S50N16-G52 PolarHBondContact N-O 2.93Å; N16-G52 VanDerWaalsContact N-O 3.13Å; L17-G52 PolarHBondContact N-O 2.83Å; L17-G52 WeakPolarHBondContact O-CA 3.48Å; S50-G52 PolarHBondContact O-N 3.46Å
53V94.1Very high92.8Very high21 Ų2176.3 Ų76.313%0.12736%0.363CS..EExtended strand (participates in β ladder)trans-126.4135.2-179.2174.30000109.1Y13 V14 M42 K51 F55Y13-V53 HydrophobicContact CD2-CG1 4.04Å; Y13-V53 HydrophobicContact CE2-CG1 3.3Å; V14-V53 WeakPolarHBondContact O-CA 2.97Å; M42-V53 HydrophobicContact CB-CB 4.22Å; M42-V53 HydrophobicContact CB-CG1 4.39Å; M42-V53 PolarHBondContact N-O 3.24Å; M42-V53 HydrophobicContact SD-CG1 4.21Å; K51-V53 PolarHBondContact O-N 2.99Å; V53-F55 HydrophobicContact CG1-CE2 4.24Å
54A94.6Very high92.9Very high0 Ų070.9 Ų70.90%034%0.339CS..EExtended strand (participates in β ladder)trans-138.2148.8177.700000111.9V14 L17 L26 T40 I41V14-A54 PolarHBondContact N-O 3.12Å; V14-A54 PolarHBondContact O-N 3.41Å; L17-A54 HydrophobicContact CD1-CB 3.63Å; L26-A54 HydrophobicContact CD1-CB 3.77Å; T40-A54 WeakPolarHBondContact O-CA 3.38Å; I41-A54 HydrophobicContact CG1-CB 4.22Å
55F94.3Very high93Very high45 Ų4571.4 Ų71.420%0.19734%0.34CS..EExtended strand (participates in β ladder)trans-112.1127.8170.2-66.1-90.6000109.1T11 V12 Y13 T40 M42 V53 A86T11-F55 HydrophobicContact CG2-CB 4.21Å; T11-F55 HydrophobicContact CG2-CD1 4.23Å; V12-F55 WeakPolarHBondContact O-CA 3.5Å; Y13-F55 HydrophobicContact CD2-CD1 4.33Å; Y13-F55 AromaticContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE2 4.32Å; Y13-F55 AromaticContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CE2-CE1 4.49Å; Y13-F55 HydrophobicContact CE2-CZ 4.05Å; Y13-F55 HydrophobicContact CG-CE1 4.49Å; T40-F55 PolarHBondContact N-O 3.42Å; T40-F55 PolarHBondContact O-N 3.44Å; M42-F55 HydrophobicContact CE-CE2 3.58Å; M42-F55 HydrophobicContact CE-CZ 4.15Å; M42-F55 HydrophobicContact CG-CD2 4.33Å; M42-F55 HydrophobicContact CG-CE2 3.93Å; M42-F55 HydrophobicContact SD-CE2 3.75Å; V53-F55 HydrophobicContact CG1-CE2 4.24Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.2Å
56I94.7Very high93.2Very high0 Ų066.9 Ų66.90%033%0.325CS..EExtended strand (participates in β ladder)trans-122.9114.2-177.2-58.2175.1000107.7T11 V12 V14 F30 V36 V39 F58T11-I56 CarbonylContact C-O 3.59Å; T11-I56 WeakPolarHBondContact CA-O 3.26Å; V12-I56 PolarHBondContact N-O 2.89Å; V12-I56 PolarHBondContact O-N 3.09Å; V14-I56 HydrophobicContact CG2-CD1 4.2Å; F30-I56 HydrophobicContact CB-CD1 4.15Å; F30-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 3.36Å; F30-I56 HydrophobicContact CD2-CD1 3.49Å; F30-I56 VanDerWaalsContact CD2-CD1 3.49Å; F30-I56 HydrophobicContact CE1-CD1 3.47Å; F30-I56 VanDerWaalsContact CE1-CD1 3.47Å; F30-I56 HydrophobicContact CE2-CD1 3.59Å; F30-I56 HydrophobicContact CG-CD1 3.37Å; F30-I56 HydrophobicContact CZ-CD1 3.6Å; V36-I56 HydrophobicContact CG1-CG2 3.79Å; V36-I56 HydrophobicContact CG2-CG2 4.14Å; V39-I56 HydrophobicContact CG1-CG1 4.38Å; V39-I56 HydrophobicContact CG2-CG2 4.48Å; I56-F58 HydrophobicContact CB-CE2 4.28Å; I56-F58 HydrophobicContact CG2-CD2 4.16Å; I56-F58 HydrophobicContact CG2-CE2 3.66Å; I56-F58 HydrophobicContact CG2-CZ 3.96Å
57L93.5Very high93.3Very high32 Ų3260 Ų6017%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-88.5118.1175.4178.766.5000108.8L5 S8 T11 V37 K38L5-L57 HydrophobicContact CD2-CB 4.22Å; L5-L57 HydrophobicContact CD2-CD2 3.79Å; S8-L57 WeakPolarHBondContact OG-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.2Å; V37-L57 HydrophobicContact CB-CD2 4.03Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.92Å; V37-L57 PolarHBondContact N-O 3.5Å; K38-L57 HydrophobicContact CB-CB 4.29Å; K38-L57 PolarHBondContact N-O 3.02Å; K38-L57 PolarHBondContact O-N 3.08Å
58F95Very high93.4Very high2 Ų256.9 Ų56.91%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-90.9158.5169.2-70.9-88.2000111.1S10 V12 F30 V36 I56 A64 C67S10-F58 PolarHBondContact O-N 3.28Å; S10-F58 PolarHBondContact OG-O 3.07Å; V12-F58 HydrophobicContact CB-CE2 4.19Å; V12-F58 HydrophobicContact CG2-CD2 3.82Å; V12-F58 HydrophobicContact CG2-CE2 3.61Å; F30-F58 HydrophobicContact CB-CZ 4.11Å; F30-F58 HydrophobicContact CD1-CZ 4.18Å; V36-F58 HydrophobicContact CG2-CD1 4.08Å; V36-F58 HydrophobicContact CG2-CE1 3.65Å; V36-F58 HydrophobicContact CG2-CZ 4.2Å; I56-F58 HydrophobicContact CB-CE2 4.28Å; I56-F58 HydrophobicContact CG2-CD2 4.16Å; I56-F58 HydrophobicContact CG2-CE2 3.66Å; I56-F58 HydrophobicContact CG2-CZ 3.96Å; F58-A64 HydrophobicContact CB-CB 4.33Å; F58-A64 HydrophobicContact CD2-CB 3.93Å; F58-A64 HydrophobicContact CG-CB 4.39Å; F58-C67 HydrophobicContact CE2-CB 4.09Å; F58-C67 HydrophobicContact CZ-CB 3.95Å
59L92.5Very high93.7Very high101 Ų10157.1 Ų57.153%0.52927%0.27SS..SBendtrans-65.2-50.3170.7-169.571.4000109.8K35 V37K35-L59 HydrophobicContact CB-CB 4.17Å; K35-L59 HydrophobicContact CB-CD2 4.5Å; K35-L59 HydrophobicContact CD-CD2 4.2Å; K35-L59 PolarHBondContact O-N 2.87Å; V37-L59 HydrophobicContact CG2-CB 4.03Å; V37-L59 HydrophobicContact CG2-CD1 4.05Å
60D93.3Very high93.9Very high79 Ų7951 Ų5142%0.42225%0.247SC..SBendtrans-103.7144.7-174.7-52.8-50.2000111.9E62 A64D60-E62 VanDerWaalsContact C-N 3.34Å; D60-A64 PolarHBondContact O-N 2.98Å
61K93.3Very high93.9Very high104 Ų10450 Ų5045%0.45224%0.241SC..Hα-helixtrans-67.3-36.8176-177.6-172.4170.6-155.30111.6K9 A64 Q65K9-K61 HydrophobicContact CB-CD 4.06Å; K9-K61 HydrophobicContact CB-CG 4.17Å; K61-A64 WeakPolarHBondContact O-CB 3.38Å; K61-A64 PolarHBondContact O-N 3.2Å; K61-Q65 WeakPolarHBondContact O-CG 3.38Å; K61-Q65 PolarHBondContact O-N 2.78Å
62E94.5Very high94Very high152 Ų15248 Ų4871%0.7124%0.235SC*.Hα-helixtrans-65.9-42.6-178.4-62.9-178.3178.300111.5D60 A64 Q65 N66D60-E62 VanDerWaalsContact C-N 3.34Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.26Å; E62-Q65 PolarHBondContact O-N 2.93Å; E62-Q65 VanDerWaalsContact O-N 3.14Å; E62-N66 WeakPolarHBondContact O-CB 3.31Å; E62-N66 PolarHBondContact O-N 2.83Å
63S94.6Very high94.1Very high20 Ų2052.8 Ų52.814%0.1426%0.26CS..Hα-helixtrans-57.7-41.8172.8-57.50000112.1Y33 N66 C67Y33-S63 WeakPolarHBondContact O-CB 3.41Å; S63-N66 PolarHBondContact O-N 3.49Å; S63-C67 WeakPolarHBondContact O-CB 3.14Å; S63-C67 PolarHBondContact O-N 3.25Å
64A94.5Very high94Very high0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-63.4-42.4176.200000112V12 F58 D60 K61 E62 S68V12-A64 HydrophobicContact CG2-CB 3.64Å; V12-A64 WeakPolarHBondContact CG2-O 3.49Å; F58-A64 HydrophobicContact CB-CB 4.33Å; F58-A64 HydrophobicContact CD2-CB 3.93Å; F58-A64 HydrophobicContact CG-CB 4.39Å; D60-A64 PolarHBondContact O-N 2.98Å; K61-A64 WeakPolarHBondContact O-CB 3.38Å; K61-A64 PolarHBondContact O-N 3.2Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.26Å; A64-S68 WeakPolarHBondContact O-CB 3.1Å; A64-S68 PolarHBondContact O-N 3.3Å; A64-S68 PolarHBondContact O-OG 3.04Å
65Q94.6Very high93.9Very high54 Ų5463 Ų6325%0.25231%0.305SS..Hα-helixtrans-65.4-46.9176.8-70.5-176-2900111.9K61 E62 C67 S68 R69 I85K61-Q65 WeakPolarHBondContact O-CG 3.38Å; K61-Q65 PolarHBondContact O-N 2.78Å; E62-Q65 PolarHBondContact O-N 2.93Å; E62-Q65 VanDerWaalsContact O-N 3.14Å; Q65-C67 PolarHBondContact O-N 2.94Å; Q65-S68 PolarHBondContact O-N 2.65Å; Q65-S68 PolarHBondContact O-OG 3.45Å; Q65-R69 WeakPolarHBondContact O-CG 3.47Å; Q65-R69 PolarHBondContact O-N 3.41Å; Q65-I85 HydrophobicContact CG-CD1 4.04Å
66N95.2Very high93.6Very high92 Ų9262.4 Ų62.449%0.49230%0.303SS..Hα-helixtrans-59.4-47.9176.4-171.513.5000111E62 S63 S68 R69 A70E62-N66 WeakPolarHBondContact O-CB 3.31Å; E62-N66 PolarHBondContact O-N 2.83Å; S63-N66 PolarHBondContact O-N 3.49Å; N66-S68 VanDerWaalsContact C-N 3.34Å; N66-S68 PolarHBondContact O-N 2.91Å; N66-R69 PolarHBondContact O-N 3.37Å; N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 3.3Å
67C94.8Very high93.3Very high0 Ų069.3 Ų69.30%033%0.334CS..Hα-helixtrans-55.5-47175.1178.50000112.1V12 F30 Y33 F58 S63 Q65 A70 L71V12-C67 HydrophobicContact CG2-CB 4.46Å; F30-C67 WeakPolarHBondContact CD1-SG 3.33Å; Y33-C67 HydrophobicContact CD2-CB 4.42Å; Y33-C67 HydrophobicContact CG-CB 4.1Å; F58-C67 HydrophobicContact CE2-CB 4.09Å; F58-C67 HydrophobicContact CZ-CB 3.95Å; S63-C67 WeakPolarHBondContact O-CB 3.14Å; S63-C67 PolarHBondContact O-N 3.25Å; Q65-C67 PolarHBondContact O-N 2.94Å; C67-A70 PolarHBondContact O-N 3.4Å; C67-L71 VanDerWaalsContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 3.18Å
68S94.6Very high93Very high13 Ų1370.6 Ų70.69%0.09136%0.355CS..Hα-helixtrans-61.8-47.8179.869.80000111.7A64 Q65 N66 A70 N72A64-S68 WeakPolarHBondContact O-CB 3.1Å; A64-S68 PolarHBondContact O-N 3.3Å; A64-S68 PolarHBondContact O-OG 3.04Å; Q65-S68 PolarHBondContact O-N 2.65Å; Q65-S68 PolarHBondContact O-OG 3.45Å; N66-S68 VanDerWaalsContact C-N 3.34Å; N66-S68 PolarHBondContact O-N 2.91Å; S68-A70 PolarHBondContact O-N 3.28Å; S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.46Å
69R94.1Very high92.9Very high191 Ų19175 Ų7572%0.72137%0.371SS*.Hα-helixtrans-64.1-42.8178.3-68.4174.8-177.2171.71111.9Q65 N66Q65-R69 WeakPolarHBondContact O-CG 3.47Å; Q65-R69 PolarHBondContact O-N 3.41Å; N66-R69 PolarHBondContact O-N 3.37Å
70A93.5Very high93Very high21 Ų2173.3 Ų73.317%0.17437%0.365CS..Hα-helixtrans-71.7-34.7-17700000112.6Y33 N66 C67 S68 K74Y33-A70 HydrophobicContact CD1-CB 4.13Å; Y33-A70 HydrophobicContact CE1-CB 3.58Å; N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 3.3Å; C67-A70 PolarHBondContact O-N 3.4Å; S68-A70 PolarHBondContact O-N 3.28Å; A70-K74 WeakPolarHBondContact O-CD 3.17Å; A70-K74 WeakPolarHBondContact O-CE 3.44Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-NZ 2.74Å
71L92.2Very high93.1Very high4 Ų469.6 Ų69.62%0.02135%0.345CS..Hα-helixtrans-98.9-12.6-174.9-69.8179.9000114.1F30 Y33 C67 N73 K74 I81 A83F30-L71 HydrophobicContact CD1-CD1 3.72Å; F30-L71 HydrophobicContact CE1-CD1 3.16Å; F30-L71 HydrophobicContact CE2-CD1 4.39Å; F30-L71 HydrophobicContact CZ-CD1 3.56Å; Y33-L71 HydrophobicContact CD2-CD1 4.21Å; Y33-L71 HydrophobicContact CE2-CD1 3.71Å; Y33-L71 HydrophobicContact CE2-CD2 3.83Å; Y33-L71 HydrophobicContact CE2-CG 3.77Å; Y33-L71 VanDerWaalsContact OH-CD2 3.29Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.29Å; C67-L71 VanDerWaalsContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 3.18Å; L71-N73 PolarHBondContact O-N 3.04Å; L71-K74 HydrophobicContact CD2-CD 4.29Å; L71-K74 PolarHBondContact O-N 2.87Å; L71-K74 VanDerWaalsContact O-N 3.15Å; L71-I81 HydrophobicContact CB-CD1 3.86Å; L71-I81 HydrophobicContact CD1-CD1 4.49Å; L71-I81 HydrophobicContact CD2-CD1 4.32Å; L71-I81 HydrophobicContact CG-CD1 4.47Å; L71-A83 HydrophobicContact CB-CB 3.97Å
72N94.3Very high93.1Very high73 Ų7370.5 Ų70.539%0.3935%0.349SS..THydrogen-bonded Turntrans-63.1125.6178.1-165.625.4000110.5S68 K74S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.46Å; N72-K74 PolarHBondContact O-N 3.48Å
73N93.4Very high93.2Very high104 Ų10463.4 Ų63.456%0.55632%0.317SS*.THydrogen-bonded Turntrans63.320.8-176.4-54.1-43.1000115.3L71 V80 I81L71-N73 PolarHBondContact O-N 3.04Å; N73-V80 HydrophobicContact CB-CG1 4.31Å; N73-I81 VanDerWaalsContact CA-O 3.31Å; N73-I81 WeakPolarHBondContact CA-O 3.39Å; N73-I81 PolarHBondContact N-O 3.5Å
74K92.4Very high93.2Very high97 Ų9765 Ų6542%0.42233%0.328SS..  trans-83.3149.7170.5-76.2-162.2173153.70112A70 L71 N72 V80 I81A70-K74 WeakPolarHBondContact O-CD 3.17Å; A70-K74 WeakPolarHBondContact O-CE 3.44Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-NZ 2.74Å; L71-K74 HydrophobicContact CD2-CD 4.29Å; L71-K74 PolarHBondContact O-N 2.87Å; L71-K74 VanDerWaalsContact O-N 3.15Å; N72-K74 PolarHBondContact O-N 3.48Å; K74-V80 CarbonylContact O-C 3.54Å; K74-V80 WeakPolarHBondContact O-CA 3.35Å; K74-I81 WeakPolarHBondContact O-CG1 3.18Å; K74-I81 PolarHBondContact O-N 2.84Å
75Q92.6Very high93.2Very high140 Ų14068 Ų6865%0.65434%0.343SS*.EExtended strand (participates in β ladder)trans-88123.4175.5-152.4171.91400110.2G78 R79 V80Q75-G78 PolarHBondContact NE2-O 3.03Å; Q75-R79 CarbonylContact C-O 3.39Å; Q75-R79 WeakPolarHBondContact CA-O 3.31Å; Q75-V80 HydrophobicContact CG-CG2 4.49Å
76L88.5Confident93Very high32 Ų3265.9 Ų65.917%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-124.4121.7172.1-74178.9000108.7G78 R79 I81L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.14Å; L76-R79 PolarHBondContact N-O 3.25Å; L76-R79 PolarHBondContact O-N 3.45Å; L76-I81 HydrophobicContact CB-CG2 4.1Å; L76-I81 HydrophobicContact CD1-CD1 3.43Å; L76-I81 VanDerWaalsContact CD1-CD1 3.43Å; L76-I81 HydrophobicContact CD1-CG1 3.92Å; L76-I81 HydrophobicContact CD1-CG2 4.13Å; L76-I81 HydrophobicContact CG-CD1 4.13Å; L76-I81 HydrophobicContact CG-CG1 4.17Å; L76-I81 HydrophobicContact CG-CG2 4.46Å
77F87.1Confident92.7Very high145 Ų14568 Ų6864%0.63635%0.345SS*.THydrogen-bonded Turntrans50.744.8179.3-55.8-83.5000113P18 L21 I29 R79P18-F77 HydrophobicContact CB-CB 4.49Å; P18-F77 HydrophobicContact CG-CB 4.14Å; P18-F77 HydrophobicContact CG-CD2 3.96Å; P18-F77 HydrophobicContact CG-CG 4.37Å; L21-F77 HydrophobicContact CD1-CD2 4.35Å; L21-F77 HydrophobicContact CD1-CE2 4.27Å; L21-F77 HydrophobicContact CD2-CD2 4.46Å; L21-F77 HydrophobicContact CD2-CE2 3.8Å; L21-F77 HydrophobicContact CD2-CZ 4.3Å; L21-F77 HydrophobicContact CG-CE2 4.36Å; I29-F77 HydrophobicContact CD1-CE2 4.37Å; F77-R79 PolarHBondContact O-N 3.41Å
78G88.9Confident92.2Very high59 Ų5971.4 Ų71.461%0.60836%0.363SS*.THydrogen-bonded Turntrans77.2-1179.800000115.3Q75 L76Q75-G78 PolarHBondContact NE2-O 3.03Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.14Å
79R91.5Very high91.5Very high93 Ų9377.3 Ų77.335%0.35139%0.394SS..EExtended strand (participates in β ladder)trans-112.7137.8177.5-64.1-175.1179.2-178.6-1.6111.4Q75 L76 F77 I81Q75-R79 CarbonylContact C-O 3.39Å; Q75-R79 WeakPolarHBondContact CA-O 3.31Å; L76-R79 PolarHBondContact N-O 3.25Å; L76-R79 PolarHBondContact O-N 3.45Å; F77-R79 PolarHBondContact O-N 3.41Å; R79-I81 PolarHBondContact O-N 3.36Å
80V94.5Very high90.5Very high67 Ų6770.6 Ų70.641%0.40638%0.384SS..EExtended strand (participates in β ladder)trans-79.7114.8173.9-178.60000108.8N16 N73 K74 Q75N16-V80 PolarHBondContact ND2-O 2.83Å; N73-V80 HydrophobicContact CB-CG1 4.31Å; K74-V80 CarbonylContact O-C 3.54Å; K74-V80 WeakPolarHBondContact O-CA 3.35Å; Q75-V80 HydrophobicContact CG-CG2 4.49Å
81I94.9Very high89.3Confident0 Ų077.4 Ų77.40%041%0.405CS..  trans-88.1149.2178.457.9146.4000110.9V14 L17 L71 N73 K74 L76 R79V14-I81 HydrophobicContact CG1-CD1 4.37Å; L17-I81 HydrophobicContact CD2-CG2 3.91Å; L71-I81 HydrophobicContact CB-CD1 3.86Å; L71-I81 HydrophobicContact CD1-CD1 4.49Å; L71-I81 HydrophobicContact CD2-CD1 4.32Å; L71-I81 HydrophobicContact CG-CD1 4.47Å; N73-I81 VanDerWaalsContact CA-O 3.31Å; N73-I81 WeakPolarHBondContact CA-O 3.39Å; N73-I81 PolarHBondContact N-O 3.5Å; K74-I81 WeakPolarHBondContact O-CG1 3.18Å; K74-I81 PolarHBondContact O-N 2.84Å; L76-I81 HydrophobicContact CB-CG2 4.1Å; L76-I81 HydrophobicContact CD1-CD1 3.43Å; L76-I81 VanDerWaalsContact CD1-CD1 3.43Å; L76-I81 HydrophobicContact CD1-CG1 3.92Å; L76-I81 HydrophobicContact CD1-CG2 4.13Å; L76-I81 HydrophobicContact CG-CD1 4.13Å; L76-I81 HydrophobicContact CG-CG1 4.17Å; L76-I81 HydrophobicContact CG-CG2 4.46Å; R79-I81 PolarHBondContact O-N 3.36Å
82K95.1Very high88.1Confident123 Ų12378.5 Ų78.554%0.53541%0.414SS..EExtended strand (participates in β ladder)trans-115.9127.1173-68.3-180177.9-179.80108.9V14 S15V14-K82 WeakPolarHBondContact CA-O 3.42Å; S15-K82 PolarHBondContact N-O 2.83Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 VanDerWaalsContact O-N 3.1Å; S15-K82 WeakPolarHBondContact OG-CB 3.36Å; S15-K82 PolarHBondContact OG-O 2.98Å
83A95.1Very high86.7Confident4 Ų477.9 Ų77.93%0.03342%0.419CS..EExtended strand (participates in β ladder)trans-122.6128.2-179.500000109.6V12 Y13 L71V12-A83 HydrophobicContact CG1-CB 4.38Å; Y13-A83 WeakPolarHBondContact O-CA 3.19Å; L71-A83 HydrophobicContact CB-CB 3.97Å
84S94.8Very high85.1Confident54 Ų5478.6 Ų78.638%0.37842%0.42SS..EExtended strand (participates in β ladder)trans-140.7163.4177.168.10000110.4Y13 A86Y13-S84 PolarHBondContact N-O 2.89Å; Y13-S84 PolarHBondContact O-N 3.32Å; S84-A86 PolarHBondContact O-N 3.31Å
85I94.1Very high83.3Confident63 Ų6381.8 Ų81.832%0.32343%0.434SS..EExtended strand (participates in β ladder)trans-63.8135.6168.4-58.5173.1000107.7Q65 I87Q65-I85 HydrophobicContact CG-CD1 4.04Å; I85-I87 PolarHBondContact O-N 2.79Å
86A92.3Very high81.8Confident9 Ų980.4 Ų80.47%0.07443%0.43CS..  trans-66.8134.1179.200000110.1P7 T11 F55 S84P7-A86 HydrophobicContact CB-CB 4.03Å; T11-A86 HydrophobicContact CG2-CB 3.79Å; T11-A86 WeakPolarHBondContact O-CB 3.33Å; T11-A86 PolarHBondContact O-N 3.11Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.2Å; S84-A86 PolarHBondContact O-N 3.31Å
87I88.8Confident80.5Confident137 Ų13788 Ų8870%0.70346%0.456SS*.  trans-105.2135.5176.7-57.4173.6000107.7I85 N89I85-I87 PolarHBondContact O-N 2.79Å; I87-N89 PolarHBondContact O-OD1 2.76Å
88D83.5Confident79Confident70 Ų7090.2 Ų90.237%0.37446%0.46SS..  trans-74.8126.2175.8-80.121.7000110.4P7 G90P7-D88 WeakPolarHBondContact CA-OD1 3.38Å; P7-D88 WeakPolarHBondContact CB-OD1 3.32Å; P7-D88 WeakPolarHBondContact CD-OD1 3.25Å; P7-D88 WeakPolarHBondContact CG-OD1 3.5Å; D88-G90 PolarHBondContact O-N 3.09Å
89N80.8Confident77.1Confident138 Ų13896.6 Ų96.674%0.73847%0.466SS*.  trans-77.318175.1-57.80.7000112.5I87 R91I87-N89 PolarHBondContact O-OD1 2.76Å; N89-R91 PolarHBondContact O-N 3.36Å
90G72.8Confident75.5Confident50 Ų5097 Ų9752%0.51548%0.475SS..SBendtrans68.8-24.9-176.700000115.9D88 A92 A93D88-G90 PolarHBondContact O-N 3.09Å; G90-A92 PolarHBondContact O-N 2.93Å; G90-A93 PolarHBondContact O-N 3.28Å
91R68.7Low73.8Confident163 Ų163101.8 Ų101.862%0.61549%0.487SS*.Hα-helixtrans-62.7-21.9179.6-83.5-168.6173.8103.3-1.9114.6N89 A93 E94 F95N89-R91 PolarHBondContact O-N 3.36Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 3.1Å; R91-E94 PolarHBondContact O-N 2.84Å; R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.32Å
92A65.9Low71.8Confident27 Ų27109.9 Ų109.922%0.22352%0.523CS..Hα-helixtrans-59-41.5178.400000111.1A6 G90 E94 F95 I96A6-A92 HydrophobicContact CB-CB 4.33Å; G90-A92 PolarHBondContact O-N 2.93Å; A92-E94 PolarHBondContact O-N 3.25Å; A92-F95 PolarHBondContact O-N 3.5Å; A92-I96 WeakPolarHBondContact O-CB 3.37Å; A92-I96 WeakPolarHBondContact O-CD1 3.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.79Å
93A64Low70.1Confident60 Ų60110 Ų11050%0.49653%0.529SS..Hα-helixtrans-64.7-37.7177.100000112.6G90 R91 I96 R97G90-A93 PolarHBondContact O-N 3.28Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 3.1Å; A93-I96 PolarHBondContact O-N 3.4Å; A93-R97 WeakPolarHBondContact O-CG 3.22Å; A93-R97 PolarHBondContact O-N 2.99Å
94E60.1Low68.5Low120 Ų120116.6 Ų116.656%0.56156%0.557SS**Hα-helixtrans-66.7-35.3175.9-64.6-172.5148.200112.7R91 A92R91-E94 PolarHBondContact O-N 2.84Å; A92-E94 PolarHBondContact O-N 3.25Å
95F56.4Low67.3Low164 Ų164116.2 Ų116.272%0.71955%0.554SS**Hα-helixtrans-79.6-29.3174.7-88.3-89.5000113.2R91 A92 R97R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.32Å; A92-F95 PolarHBondContact O-N 3.5Å; F95-R97 VanDerWaalsContact C-N 3.35Å
96I61.2Low66.4Low111 Ų111119.8 Ų119.857%0.56957%0.568SS**Hα-helixtrans-71.2-32174.2-70.9162.8000110.9A6 A92 A93 R98A6-I96 HydrophobicContact CB-CD1 4.31Å; A92-I96 WeakPolarHBondContact O-CB 3.37Å; A92-I96 WeakPolarHBondContact O-CD1 3.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.79Å; A93-I96 PolarHBondContact O-N 3.4Å; I96-R98 PolarHBondContact O-N 2.83Å
97R59.3Low65.7Low190 Ų190119.5 Ų119.572%0.71757%0.565SS**SBendtrans-58.198.9161.4-73178.3-175.6156.41.5105.7A93 F95 R99A93-R97 WeakPolarHBondContact O-CG 3.22Å; A93-R97 PolarHBondContact O-N 2.99Å; F95-R97 VanDerWaalsContact C-N 3.35Å; R97-R99 PolarHBondContact O-N 3.35Å
98R56.2Low65.2Low192 Ų192122.6 Ų122.673%0.72557%0.569SS**  trans-39.1124.2171.1-75.6175171.5174.3-9.2105.6I96 N100I96-R98 PolarHBondContact O-N 2.83Å; R98-N100 PolarHBondContact O-N 3.15Å
99R50.2Low64.6Low193 Ų193123.2 Ų123.273%0.72857%0.57SS**  trans-48.199.4166-103.9-177-78163.2-4.2105.3R97 Y101R97-R99 PolarHBondContact O-N 3.35Å; R99-Y101 HydrophobicContact CB-CE2 4.32Å; R99-Y101 PolarHBondContact O-N 3.26Å
100N57.8Low64.5Low102 Ų102118.1 Ų118.155%0.54555%0.545SS..  trans-74.4101172.7-161.345.5000100.9R98 F102R98-N100 PolarHBondContact O-N 3.15Å; N100-F102 HydrophobicContact CB-CD2 3.94Å; N100-F102 HydrophobicContact CB-CE2 3.69Å; N100-F102 HydrophobicContact CB-CZ 4.15Å; N100-F102 WeakPolarHBondContact ND2-CD1 3.13Å; N100-F102 WeakPolarHBondContact ND2-CE1 3.41Å; N100-F102 WeakPolarHBondContact ND2-CE2 3.45Å; N100-F102 WeakPolarHBondContact ND2-CZ 3.44Å; N100-F102 VanDerWaalsContact O-CD2 3.27Å; N100-F102 WeakPolarHBondContact O-CD2 3.48Å; N100-F102 PolarHBondContact O-N 3.01Å
101Y57.7Low64.6Low168 Ų168118.1 Ų118.166%0.65955%0.545SS*.  trans-61.595.2166.5-76.8-95.5000104.3R99 D103R99-Y101 HydrophobicContact CB-CE2 4.32Å; R99-Y101 PolarHBondContact O-N 3.26Å; Y101-D103 PolarHBondContact O-N 2.92Å
102F53.8Low65.1Low170 Ų170114.3 Ų114.375%0.74653%0.534SS*.  trans-68.2-9.2-177.3-89.4-77.6000111.8N100N100-F102 HydrophobicContact CB-CD2 3.94Å; N100-F102 HydrophobicContact CB-CE2 3.69Å; N100-F102 HydrophobicContact CB-CZ 4.15Å; N100-F102 WeakPolarHBondContact ND2-CD1 3.13Å; N100-F102 WeakPolarHBondContact ND2-CE1 3.41Å; N100-F102 WeakPolarHBondContact ND2-CE2 3.45Å; N100-F102 WeakPolarHBondContact ND2-CZ 3.44Å; N100-F102 VanDerWaalsContact O-CD2 3.27Å; N100-F102 WeakPolarHBondContact O-CD2 3.48Å; N100-F102 PolarHBondContact O-N 3.01Å
103D58.9Low65.5Low126 Ų126116.8 Ų116.867%0.67456%0.555SS**  trans-110.576.3179.6-67.3-44.4000111.6Y101 S105Y101-D103 PolarHBondContact O-N 2.92Å; D103-S105 WeakPolarHBondContact CB-OG 3.43Å; D103-S105 PolarHBondContact O-N 3.17Å
104K61.1Low66.1Low141 Ų141117.7 Ų117.761%0.61357%0.569SS**  trans-80.836.1143.4-63.9-178.2-168.6-178.10109.7K106 L116K104-K106 PolarHBondContact O-N 3.45Å; K104-L116 HydrophobicContact CB-CD2 3.72Å; K104-L116 HydrophobicContact CB-CG 4.36Å; K104-L116 HydrophobicContact CD-CD1 3.89Å; K104-L116 HydrophobicContact CD-CD2 4.08Å; K104-L116 HydrophobicContact CD-CG 4.42Å; K104-L116 HydrophobicContact CG-CD2 4.26Å
105S68.9Low66.9Low46 Ų46113.8 Ų113.832%0.32255%0.551SS.*  trans-82.35.9-161.158.40000113.3D103 A113D103-S105 WeakPolarHBondContact CB-OG 3.43Å; D103-S105 PolarHBondContact O-N 3.17Å; S105-A113 WeakPolarHBondContact O-CA 3.43Å; S105-A113 WeakPolarHBondContact O-CB 3.4Å
106K75.2Confident67.8Low139 Ų139108.9 Ų108.960%0.60453%0.532SS*.SBendtrans-138.7132.8176.7-60.6-176.4-174.6-175.20110.1K104 E112K104-K106 PolarHBondContact O-N 3.45Å; K106-E112 WeakPolarHBondContact CA-O 3.39Å
107C79.6Confident68.6Low3 Ų3104.3 Ų104.32%0.0251%0.51CS..  trans-66.6133.1167.9178.40000110.1E109 C110 G111 E112 H115 S117 C120C107-E109 PolarHBondContact O-N 3.45Å; C107-E109 PolarHBondContact SG-N 2.82Å; C107-C110 VanDerWaalsContact CB-SG 3.52Å; C107-C110 PolarHBondContact SG-N 3.02Å; C107-C110 PolarHBondContact SG-SG 2.78Å; C107-G111 VanDerWaalsContact O-CA 3.25Å; C107-G111 WeakPolarHBondContact O-CA 3.03Å; C107-G111 PolarHBondContact O-N 3.17Å; C107-E112 PolarHBondContact N-O 2.82Å; C107-H115 WeakPolarHBondContact CB-NE2 3.33Å; C107-H115 PolarHBondContact N-O 2.87Å; C107-S117 VanDerWaalsContact SG-CA 3.51Å; C107-C120 WeakPolarHBondContact SG-CB 2.85Å
108Y77.1Confident69.3Low201 Ų201101.2 Ų101.279%0.78850%0.499SS*.THydrogen-bonded Turntrans-77.3-10.7177.8-62.7-84.8000113.4S117Y108-S117 WeakPolarHBondContact CB-OG 3.4Å; Y108-S117 PolarHBondContact N-OG 3.35Å
109E71.8Confident70.1Confident83 Ų8395.4 Ų95.439%0.38849%0.493SS..THydrogen-bonded Turntrans-95.8-47.6177.7-66.7176-177.300111.4C107 N123C107-E109 PolarHBondContact O-N 3.45Å; C107-E109 PolarHBondContact SG-N 2.82Å; E109-N123 WeakPolarHBondContact OE2-CA 2.89Å; E109-N123 VanDerWaalsContact OE2-CB 3.23Å; E109-N123 WeakPolarHBondContact OE2-CB 3.4Å; E109-N123 PolarHBondContact OE2-OD1 2.77Å
110C78.6Confident71.5Confident31 Ų3186.7 Ų86.721%0.20946%0.461CS..THydrogen-bonded Turntrans-111.3-4.4-173500000114.7C107 E112 H115 C120 K122C107-C110 VanDerWaalsContact CB-SG 3.52Å; C107-C110 PolarHBondContact SG-N 3.02Å; C107-C110 PolarHBondContact SG-SG 2.78Å; C110-E112 PolarHBondContact O-N 2.84Å; C110-H115 PolarHBondContact SG-NE2 2.94Å; C110-C120 WeakPolarHBondContact CB-SG 3.26Å; C110-C120 WeakPolarHBondContact SG-CB 3.36Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.88Å; C110-K122 HydrophobicContact CB-CB 4.16Å; C110-K122 HydrophobicContact CB-CD 4Å
111G75.3Confident72.5Confident51 Ų5187.1 Ų87.153%0.52647%0.469SS..  trans71.3-9.9174.900000115.9C107C107-G111 VanDerWaalsContact O-CA 3.25Å; C107-G111 WeakPolarHBondContact O-CA 3.03Å; C107-G111 PolarHBondContact O-N 3.17Å
112E77.3Confident73.4Confident83 Ų8385 Ų8539%0.38846%0.464SS..  trans-72.9149179.4-72.7171.8-162.800112.1K106 C107 C110 K122K106-E112 WeakPolarHBondContact CA-O 3.39Å; C107-E112 PolarHBondContact N-O 2.82Å; C110-E112 PolarHBondContact O-N 2.84Å; E112-K122 IonicContact OE1-NZ 2.83Å; E112-K122 PolarHBondContact OE1-NZ 3.16Å
113A74.8Confident74.5Confident79 Ų7978 Ų7865%0.65343%0.434SS*.SBendtrans-90143.2177.400000111.7S105S105-A113 WeakPolarHBondContact O-CA 3.43Å; S105-A113 WeakPolarHBondContact O-CB 3.4Å
114G76.9Confident75.3Confident78 Ų7880.9 Ų80.980%0.80445%0.445SS*.SBendtrans117.1-1017700000115.4
115H77.2Confident75.7Confident39 Ų3979.6 Ų79.618%0.18144%0.444CS..SBendtrans-150.5163.8176.464.5-88000112.6C107 C110 C120C107-H115 WeakPolarHBondContact CB-NE2 3.33Å; C107-H115 PolarHBondContact N-O 2.87Å; C110-H115 PolarHBondContact SG-NE2 2.94Å; H115-C120 WeakPolarHBondContact CD2-CA 3.41Å; H115-C120 WeakPolarHBondContact NE2-CA 3.31Å; H115-C120 VanDerWaalsContact NE2-CB 3.32Å; H115-C120 WeakPolarHBondContact NE2-CB 3.31Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.41Å
116L75.6Confident75.7Confident60 Ų6079.2 Ų79.231%0.31445%0.448SS..  trans-94.9159.7174.1-78.1172.5000110.5K104 Y118 A119 C120K104-L116 HydrophobicContact CB-CD2 3.72Å; K104-L116 HydrophobicContact CB-CG 4.36Å; K104-L116 HydrophobicContact CD-CD1 3.89Å; K104-L116 HydrophobicContact CD-CD2 4.08Å; K104-L116 HydrophobicContact CD-CG 4.42Å; K104-L116 HydrophobicContact CG-CD2 4.26Å; L116-Y118 PolarHBondContact O-N 3Å; L116-A119 CarbonylContact O-C 3.58Å; L116-A119 WeakPolarHBondContact O-CA 3.15Å; L116-A119 PolarHBondContact O-N 3.46Å; L116-C120 PolarHBondContact O-N 2.87Å
117S76.9Confident75.4Confident16 Ų1682.1 Ų82.111%0.11246%0.464CS..G310 helixtrans-48.1-39.2178.1-53.50000114.2C107 Y108 A119 C120C107-S117 VanDerWaalsContact SG-CA 3.51Å; Y108-S117 WeakPolarHBondContact CB-OG 3.4Å; Y108-S117 PolarHBondContact N-OG 3.35Å; S117-A119 PolarHBondContact O-N 2.99Å; S117-A119 VanDerWaalsContact O-N 3.12Å; S117-C120 PolarHBondContact O-N 3.17Å; S117-C120 VanDerWaalsContact O-N 3.15Å
118Y75.3Confident75.1Confident125 Ų12587.5 Ų87.549%0.4948%0.483SS..G310 helixtrans-61.6-21.2177.3-61.2-75.1000114.7L116 R128L116-Y118 PolarHBondContact O-N 3Å; Y118-R128 HydrophobicContact CD1-CB 4.2Å
119A72.3Confident74.8Confident70 Ų7086.2 Ų86.258%0.57949%0.485SS*.G310 helixtrans-12222.7179.400000111.6L116 S117L116-A119 CarbonylContact O-C 3.58Å; L116-A119 WeakPolarHBondContact O-CA 3.15Å; L116-A119 PolarHBondContact O-N 3.46Å; S117-A119 PolarHBondContact O-N 2.99Å; S117-A119 VanDerWaalsContact O-N 3.12Å
120C78.8Confident74.9Confident9 Ų986.6 Ų86.66%0.06149%0.494CS..  trans-73.9127176.3179.10000110.3C107 C110 H115 L116 S117 K122 N123C107-C120 WeakPolarHBondContact SG-CB 2.85Å; C110-C120 WeakPolarHBondContact CB-SG 3.26Å; C110-C120 WeakPolarHBondContact SG-CB 3.36Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.88Å; H115-C120 WeakPolarHBondContact CD2-CA 3.41Å; H115-C120 WeakPolarHBondContact NE2-CA 3.31Å; H115-C120 VanDerWaalsContact NE2-CB 3.32Å; H115-C120 WeakPolarHBondContact NE2-CB 3.31Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.41Å; L116-C120 PolarHBondContact O-N 2.87Å; S117-C120 PolarHBondContact O-N 3.17Å; S117-C120 VanDerWaalsContact O-N 3.15Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 PolarHBondContact SG-N 3.14Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.01Å; C120-N123 PolarHBondContact O-N 3.04Å
121P79.6Confident74.7Confident111 Ų11189.7 Ų89.772%0.72151%0.514SS*.THydrogen-bonded Turntrans-67.8-16.4176.728.5-35000112.5
122K76.9Confident74.8Confident125 Ų12596.5 Ų96.554%0.54353%0.529SS..THydrogen-bonded Turntrans-96.712.2173.5-60.3175.2177.5168.10112.8C110 E112 C120 M124C110-K122 HydrophobicContact CB-CB 4.16Å; C110-K122 HydrophobicContact CB-CD 4Å; E112-K122 IonicContact OE1-NZ 2.83Å; E112-K122 PolarHBondContact OE1-NZ 3.16Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 PolarHBondContact SG-N 3.14Å; K122-M124 PolarHBondContact O-N 2.93Å
123N76.9Confident74.5Confident22 Ų22101.9 Ų101.912%0.11855%0.551CS.*  trans-68.3103.1-179.9178.41.3000110.2E109 C120 L125 G126E109-N123 WeakPolarHBondContact OE2-CA 2.89Å; E109-N123 VanDerWaalsContact OE2-CB 3.23Å; E109-N123 WeakPolarHBondContact OE2-CB 3.4Å; E109-N123 PolarHBondContact OE2-OD1 2.77Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.01Å; C120-N123 PolarHBondContact O-N 3.04Å; N123-L125 PolarHBondContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.47Å; N123-L125 PolarHBondContact OD1-N 3.43Å; N123-G126 PolarHBondContact ND2-O 3.25Å; N123-G126 PolarHBondContact O-N 3.5Å
124M75.1Confident74.3Confident186 Ų186108 Ų10892%0.91656%0.563SS**THydrogen-bonded Turntrans-67.2-14.1-179.9-67.5-81.9-71.900113.6K122K122-M124 PolarHBondContact O-N 2.93Å
125L69.9Low74Confident114 Ų114112.9 Ų112.960%0.59757%0.565SS**THydrogen-bonded Turntrans-98.38.2-176.1-67.9157.2000112.9N123N123-L125 PolarHBondContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.47Å; N123-L125 PolarHBondContact OD1-N 3.43Å
126G69.3Low73.4Confident38 Ų38118.8 Ų118.839%0.39259%0.59SS.*  trans74.6178.8178.500000114.2N123 R128N123-G126 PolarHBondContact ND2-O 3.25Å; N123-G126 PolarHBondContact O-N 3.5Å; G126-R128 PolarHBondContact O-N 3.1Å
127E69.3Low72.5Confident200 Ų200125.9 Ų125.994%0.93562%0.619SS**  trans-65.3117.8179.4-65.6-177-177.600110.7
128R72.7Confident71.4Confident116 Ų116134.6 Ų134.644%0.43865%0.654SS.*  trans-107.8125.4177.9-71.6173172-172.1-9.9109.2Y118 G126Y118-R128 HydrophobicContact CD1-CB 4.2Å; G126-R128 PolarHBondContact O-N 3.1Å
129E70.6Confident70.4Confident174 Ų174140.3 Ų140.381%0.81368%0.675SS**PPolyproline II helixtrans-63127.4173.2-68.6-169.9173.600110.2
130P73.7Confident69.1Low91 Ų91146.6 Ų146.659%0.59169%0.689SS**PPolyproline II helixtrans-62.6142.9177.225.5-33000109.7K132P130-K132 PolarHBondContact O-N 3.41Å
131P74.6Confident67.4Low96 Ų96155.4 Ų155.462%0.62373%0.727SS**PPolyproline II helixtrans-57.4131.2-179.722.8-33.1000110.6K133P131-K133 PolarHBondContact O-N 2.86Å; P131-K133 VanDerWaalsContact O-N 3.16Å
132K77.4Confident65.8Low194 Ų194157.7 Ų157.784%0.84373%0.731SS**PPolyproline II helixtrans-53.8123.1177.6-69-177.8-179.5177.20109.3P130 K134P130-K132 PolarHBondContact O-N 3.41Å; K132-K134 PolarHBondContact O-N 2.86Å; K132-K134 VanDerWaalsContact O-N 3.14Å
133K71.6Confident64.1Low197 Ų197157.6 Ų157.686%0.85774%0.741SS**PPolyproline II helixtrans-59122.4175.3-72.1177.3-176.6166.90107.7P131 E135P131-K133 PolarHBondContact O-N 2.86Å; P131-K133 VanDerWaalsContact O-N 3.16Å; K133-E135 PolarHBondContact O-N 3.41Å
134K68.8Low62.8Low206 Ų206164.6 Ų164.690%0.89677%0.773SS**  trans-56.4108.8173.5-71.4-177.4178.2179.20108.6K132 K136K132-K134 PolarHBondContact O-N 2.86Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-K136 PolarHBondContact O-N 3.32Å
135E70.9Confident61.4Low182 Ų182161.7 Ų161.785%0.8577%0.768SS**  trans-61.6128.2173.1-66.8-167.214300108.7K133 K137K133-E135 PolarHBondContact O-N 3.41Å; E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact O-N 3.1Å
136K65.5Low60Low163 Ų163165 Ų16571%0.70978%0.78SS**  trans-69.7111.4172-66.3-178.2-177.3177.30106.5K134 K138K134-K136 PolarHBondContact O-N 3.32Å; K136-K138 PolarHBondContact O-N 2.93Å
137K56Low58.6Low209 Ų209172.8 Ų172.891%0.90981%0.806SS**  trans-54.3102167.1-69.3-173.2177.5-1740108E135 R139E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact O-N 3.1Å; K137-R139 PolarHBondContact O-N 3.49Å
138K54.2Low57Low198 Ų198170.8 Ų170.886%0.86180%0.8SS**  trans-65.7117.8165.2-75-177.2179.4177.40105.2K136 K140K136-K138 PolarHBondContact O-N 2.93Å; K138-K140 PolarHBondContact O-N 2.92Å
139R53.8Low55.6Low245 Ų245174.1 Ų174.193%0.92582%0.821SS**  trans-57.8115.8167.3-67.417887.2-171.65.1105.3K137 K141K137-R139 PolarHBondContact O-N 3.49Å; R139-K141 PolarHBondContact O-N 3.38Å
140K46.6Very low54Low202 Ų202174.9 Ų174.988%0.87883%0.825SS**  trans-55.1125.3172.7-83.2-176.2174.7-177.30106.5K138 I142K138-K140 PolarHBondContact O-N 2.92Å; K140-I142 PolarHBondContact O-N 3.23Å
141K43.1Very low52.2Low194 Ų194179.7 Ų179.784%0.84384%0.839SS**  trans-63.4116.2169.1-156.6-179.4-178-165.20104.5R139 V143R139-K141 PolarHBondContact O-N 3.38Å; K141-V143 PolarHBondContact O-N 3.32Å; K141-V143 VanDerWaalsContact O-N 3.15Å
142I44.5Very low50.5Low160 Ų160184.5 Ų184.582%0.82185%0.853SS**  trans-62.2115.9170.2-63.1161.4000104.2K140K140-I142 PolarHBondContact O-N 3.23Å
143V42.5Very low48.3Very low122 Ų122184 Ų18474%0.73985%0.854SS**PPolyproline II helixtrans-85.6116.7170.7177.40000104.1K141K141-V143 PolarHBondContact O-N 3.32Å; K141-V143 VanDerWaalsContact O-N 3.15Å
144E48.8Very low46.4Very low170 Ų170180.1 Ų180.179%0.79485%0.851SS**PPolyproline II helixtrans-63.2129.8167.3-75179154.700107.6E146E144-E146 PolarHBondContact O-N 2.88Å
145P46Very low45.2Very low125 Ų125179.3 Ų179.381%0.81285%0.851SS**PPolyproline II helixtrans-69.7127.3169.8-7.923.7000108.8
146E39.6Very low43.8Very low183 Ų183180 Ų18086%0.85585%0.854SS**PPolyproline II helixtrans-64.8141.8169.7-65.1178.4162.500109.6E144 I148E144-E146 PolarHBondContact O-N 2.88Å; E146-I148 PolarHBondContact O-N 2.9Å
147E40Very low43Very low201 Ų201181.7 Ų181.794%0.93987%0.865SS**PPolyproline II helixtrans-58.1122.8176-67.8171.3159.900109.9
148I37.2Very low42.1Very low158 Ų158175.3 Ų175.381%0.8186%0.858SS**PPolyproline II helixtrans-97.8126.5169.2-69.2165.6000106.4E146 E150E146-I148 PolarHBondContact O-N 2.9Å; I148-E150 PolarHBondContact O-N 2.88Å
149E43.1Very low41.4Very low187 Ų187175.4 Ų175.487%0.87486%0.861SS**PPolyproline II helixtrans-55.8123.3177.1-62.8172.8156.400110.4
150E35.6Very low41Very low190 Ų190169.6 Ų169.689%0.88885%0.849SS**  trans-88.7104.7169.2-72-178.4174.500108.5I148I148-E150 PolarHBondContact O-N 2.88Å
151E36.2Very low41.3Very low192 Ų192165.7 Ų165.790%0.89784%0.844SS**  trans-72122.9155.5-74.5-179.8155.100107.8
152E40Very low41.8Very low196 Ų196159.9 Ų159.992%0.91683%0.832SS**  trans-70.1124.5171-69.8-158.316400110.6
153E31.4Very low41.9Very low184 Ų184159.1 Ų159.186%0.8683%0.829SS**  trans-161.6128.8144.4-139.6171.9176.400114.3
154S30.6Very low42.3Very low115 Ų115157.5 Ų157.580%0.80482%0.816SS**  trans84124.2148.167.30000122.1
155E43.5Very low43.3Very low189 Ų189153.7 Ų153.788%0.88381%0.808SS**  trans-58.5145.1167.4-52.4169.815900112.4
156E41.6Very low44.1Very low198 Ų198153.9 Ų153.993%0.92580%0.802SS**  trans-179.3146134.5-160.1156.5-173.800111.6
157E48.2Very low45.9Very low198 Ų198148.5 Ų148.593%0.92578%0.784SS**  trans-66152-164.4-58.4178.8142.800117.1
158G38.6Very low47.6Very low74 Ų74144 Ų14476%0.76376%0.763SS**  trans157.781.3160.700000114.6D160G158-D160 PolarHBondContact O-N 3.44Å
159E39.8Very low49.3Very low201 Ų201138.9 Ų138.994%0.93975%0.745SS**  trans-75.5117174.8-69.3-179.4177.600111.6
160D44.9Very low51.2Low123 Ų123133.8 Ų133.866%0.65872%0.723SS**  trans-84.7120.7177.9-155.1-12.3000109.9G158 A162G158-D160 PolarHBondContact O-N 3.44Å; D160-A162 PolarHBondContact O-N 3.25Å
161P51.7Low53.4Low120 Ų120127.3 Ų127.378%0.77970%0.702SS**THydrogen-bonded Turntrans-67.65.7-16925-35.8000116.2
162A53.6Low55.4Low72 Ų72122 Ų12260%0.59568%0.682SS**THydrogen-bonded Turntrans-88.8-13.2-179.400000114.4D160D160-A162 PolarHBondContact O-N 3.25Å
163L46.5Very low57.3Low144 Ų144118.9 Ų118.975%0.75467%0.668SS**THydrogen-bonded Turntrans-90.3-7.6-176.4-64.6179.7000114.6S165L163-S165 PolarHBondContact O-N 3.37Å
164D52.6Low59.5Low87 Ų87115.7 Ų115.747%0.46565%0.653SS.*Hα-helixtrans-75.7-9.2172.3-16331.9000112.5Q168D164-Q168 WeakPolarHBondContact O-CB 3.48Å; D164-Q168 PolarHBondContact OD1-NE2 3.02Å; D164-Q168 PolarHBondContact OD2-NE2 3.18Å; D164-Q168 PolarHBondContact OD2-OE1 3.04Å
165S67.9Low62Low91 Ų91112.4 Ų112.464%0.63663%0.633SS**Hα-helixtrans-77.3-31.3-175.5-1710000113.7L163 A169L163-S165 PolarHBondContact O-N 3.37Å; S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.19Å
166L64.2Low63.9Low128 Ų128109.9 Ų109.967%0.6762%0.619SS**Hα-helixtrans-98.3-38.3-170.6-154.9133.4000112.7Q168 A169 I170L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-A169 PolarHBondContact O-N 3.37Å; L166-I170 HydrophobicContact CD2-CD1 3.7Å; L166-I170 HydrophobicContact CD2-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.44Å; L166-I170 WeakPolarHBondContact O-CD1 3.1Å; L166-I170 WeakPolarHBondContact O-CG1 3.23Å; L166-I170 PolarHBondContact O-N 3.32Å
167S76.1Confident65.9Low70 Ų70104.4 Ų104.449%0.4960%0.595SS.*Hα-helixtrans-61.9-44171.454.50000111I170 A171S167-I170 PolarHBondContact O-N 3.39Å; S167-A171 PolarHBondContact O-N 2.85Å
168Q76.7Confident67.6Low106 Ų106100.4 Ų100.450%0.49558%0.576SS.*Hα-helixtrans-72.1-35180-146.8170.571.700111.1D164 L166 A171 V172D164-Q168 WeakPolarHBondContact O-CB 3.48Å; D164-Q168 PolarHBondContact OD1-NE2 3.02Å; D164-Q168 PolarHBondContact OD2-NE2 3.18Å; D164-Q168 PolarHBondContact OD2-OE1 3.04Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-A171 PolarHBondContact O-N 3.29Å; Q168-V172 WeakPolarHBondContact O-CB 3.27Å; Q168-V172 VanDerWaalsContact O-CG2 3.24Å; Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.98Å
169A73.3Confident69.6Low52 Ų52103.2 Ų103.243%0.4357%0.57SS.*Hα-helixtrans-64.2-39.9169.800000112.8S165 L166 Q173S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.19Å; L166-A169 PolarHBondContact O-N 3.37Å; A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.05Å
170I82.1Confident71.2Confident80 Ų80100.3 Ų100.341%0.4156%0.556SS.*Hα-helixtrans-64.5-44.6175.7-69.8163.2000110.4L166 S167 Q173 Q174L166-I170 HydrophobicContact CD2-CD1 3.7Å; L166-I170 HydrophobicContact CD2-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.44Å; L166-I170 WeakPolarHBondContact O-CD1 3.1Å; L166-I170 WeakPolarHBondContact O-CG1 3.23Å; L166-I170 PolarHBondContact O-N 3.32Å; S167-I170 PolarHBondContact O-N 3.39Å; I170-Q173 PolarHBondContact O-N 2.66Å; I170-Q174 HydrophobicContact CG2-CG 4.45Å; I170-Q174 WeakPolarHBondContact O-CG 3.13Å; I170-Q174 PolarHBondContact O-N 3Å
171A81.4Confident72.6Confident53 Ų53100.5 Ų100.544%0.43855%0.553SS.*Hα-helixtrans-62.1-44.6178.500000112.1S167 Q168 Q173 Q174 A175S167-A171 PolarHBondContact O-N 2.85Å; Q168-A171 PolarHBondContact O-N 3.29Å; A171-Q173 VanDerWaalsContact C-N 3.29Å; A171-Q173 PolarHBondContact O-N 2.75Å; A171-Q174 PolarHBondContact O-N 3.46Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.94Å
172V78.6Confident73.5Confident81 Ų81100.1 Ų100.149%0.49154%0.541SS..Hα-helixtrans-63.6-36.3176.5170.50000111.6Q168 K176Q168-V172 WeakPolarHBondContact O-CB 3.27Å; Q168-V172 VanDerWaalsContact O-CG2 3.24Å; Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.98Å; V172-K176 PolarHBondContact O-N 3.15Å
173Q80.8Confident74.3Confident130 Ų130105.5 Ų105.561%0.60755%0.546SS*.Hα-helixtrans-73.5-37.9179.5-164.9172.6-4.700112A169 I170 A171 I177A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.05Å; I170-Q173 PolarHBondContact O-N 2.66Å; A171-Q173 VanDerWaalsContact C-N 3.29Å; A171-Q173 PolarHBondContact O-N 2.75Å; Q173-I177 HydrophobicContact CG-CD1 4.46Å; Q173-I177 WeakPolarHBondContact O-CD1 3.25Å; Q173-I177 VanDerWaalsContact O-CG1 3.29Å; Q173-I177 WeakPolarHBondContact O-CG1 3.33Å; Q173-I177 PolarHBondContact O-N 3.12Å
174Q77.4Confident74.8Confident117 Ų117108.1 Ų108.155%0.54755%0.546SS..Hα-helixtrans-65.8-43.8174.5-75175.9-1700111.7I170 A171 K176 I177 E178I170-Q174 HydrophobicContact CG2-CG 4.45Å; I170-Q174 WeakPolarHBondContact O-CG 3.13Å; I170-Q174 PolarHBondContact O-N 3Å; A171-Q174 PolarHBondContact O-N 3.46Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.06Å; Q174-I177 PolarHBondContact O-N 3.31Å; Q174-I177 VanDerWaalsContact O-N 3.15Å; Q174-E178 PolarHBondContact O-N 3.43Å
175A83.2Confident74.8Confident47 Ų47108.8 Ų108.839%0.38855%0.553SS.*Hα-helixtrans-60.6-40177.200000112.9A171 I177 E178 E179A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.94Å; A175-I177 VanDerWaalsContact C-N 3.35Å; A175-I177 PolarHBondContact O-N 2.82Å; A175-E178 PolarHBondContact O-N 3.23Å; A175-E179 WeakPolarHBondContact O-CG 3.46Å; A175-E179 PolarHBondContact O-N 3Å
176K82.6Confident74Confident135 Ų135112 Ų11259%0.58756%0.558SS**Hα-helixtrans-64.9-36.8175.5-79.2179.9179.5175.50113.2V172 Q174 E180V172-K176 PolarHBondContact O-N 3.15Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.06Å; K176-E180 PolarHBondContact O-N 2.82Å
177I84.6Confident73.3Confident83 Ų83111.4 Ų111.443%0.42656%0.56SS.*Hα-helixtrans-67.6-43.2177.6-68.5164.2000109.7Q173 Q174 A175 E179 E180 E181Q173-I177 HydrophobicContact CG-CD1 4.46Å; Q173-I177 WeakPolarHBondContact O-CD1 3.25Å; Q173-I177 VanDerWaalsContact O-CG1 3.29Å; Q173-I177 WeakPolarHBondContact O-CG1 3.33Å; Q173-I177 PolarHBondContact O-N 3.12Å; Q174-I177 PolarHBondContact O-N 3.31Å; Q174-I177 VanDerWaalsContact O-N 3.15Å; A175-I177 VanDerWaalsContact C-N 3.35Å; A175-I177 PolarHBondContact O-N 2.82Å; I177-E179 PolarHBondContact O-N 2.83Å; I177-E180 PolarHBondContact O-N 2.8Å; I177-E181 PolarHBondContact O-N 3.36Å
178E83.4Confident71.8Confident115 Ų115111.3 Ų111.354%0.53756%0.563SS.*Hα-helixtrans-63.9-40.3177.1-70.7178.6175.800112.3Q174 A175 E181 Q182Q174-E178 PolarHBondContact O-N 3.43Å; A175-E178 PolarHBondContact O-N 3.23Å; E178-E181 PolarHBondContact O-N 3.18Å; E178-Q182 WeakPolarHBondContact O-CB 3.3Å; E178-Q182 VanDerWaalsContact O-CG 3.25Å; E178-Q182 WeakPolarHBondContact O-CG 3.45Å; E178-Q182 PolarHBondContact O-N 3.2Å
179E81Confident70.2Confident132 Ų132109 Ų10962%0.61757%0.568SS**Hα-helixtrans-64.2-38.4173.7-75.8-175.6167.700112.7A175 I177 R183A175-E179 WeakPolarHBondContact O-CG 3.46Å; A175-E179 PolarHBondContact O-N 3Å; I177-E179 PolarHBondContact O-N 2.83Å; E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.43Å
180E73.7Confident68.6Low141 Ų141115.2 Ų115.266%0.65959%0.588SS**Hα-helixtrans-68-40174.7-85.5-169.8149.900112.3K176 I177 R183 W184K176-E180 PolarHBondContact O-N 2.82Å; I177-E180 PolarHBondContact O-N 2.8Å; E180-R183 PolarHBondContact O-N 3.31Å; E180-W184 WeakPolarHBondContact O-CB 3.15Å; E180-W184 PolarHBondContact O-N 2.94Å
181E72.8Confident66.2Low126 Ų126117.4 Ų117.459%0.58961%0.61SS**Hα-helixtrans-65.2-40.1174.6-76-171.9162.600111.7I177 E178 R183 W184 T185I177-E181 PolarHBondContact O-N 3.36Å; E178-E181 PolarHBondContact O-N 3.18Å; E181-R183 VanDerWaalsContact C-N 3.35Å; E181-W184 PolarHBondContact O-N 3.2Å; E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 VanDerWaalsContact O-CG2 3.28Å; E181-T185 WeakPolarHBondContact O-CG2 3.36Å; E181-T185 PolarHBondContact O-N 2.82Å; E181-T185 PolarHBondContact O-OG1 3.36Å
182Q71.8Confident64Low113 Ų113120 Ų12053%0.52863%0.626SS.*Hα-helixtrans-65.1-38.5174-72.4177.328.900111.9E178 T185 Q186E178-Q182 WeakPolarHBondContact O-CB 3.3Å; E178-Q182 VanDerWaalsContact O-CG 3.25Å; E178-Q182 WeakPolarHBondContact O-CG 3.45Å; E178-Q182 PolarHBondContact O-N 3.2Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.4Å; Q182-T185 PolarHBondContact O-OG1 3.06Å; Q182-Q186 WeakPolarHBondContact O-CB 3.4Å; Q182-Q186 VanDerWaalsContact O-CG 3.32Å; Q182-Q186 WeakPolarHBondContact O-CG 3.49Å; Q182-Q186 PolarHBondContact O-N 3.25Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å
183R69.9Low61.9Low185 Ų185124.1 Ų124.170%0.69864%0.643SS**Hα-helixtrans-67.8-37.8174.1-172.2-173.8-67.9-111.91.2112.1E179 E180 E181 T187E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.43Å; E180-R183 PolarHBondContact O-N 3.31Å; E181-R183 VanDerWaalsContact C-N 3.35Å; R183-T187 WeakPolarHBondContact O-CG2 3.07Å; R183-T187 PolarHBondContact O-N 3.45Å; R183-T187 PolarHBondContact O-OG1 3.35Å
184W56Low59.7Low199 Ų199123.3 Ų123.375%0.75465%0.652SS**Hα-helixtrans-68.1-42.2177.1-169.4-68.5000111.5E180 E181 T187 A188E180-W184 WeakPolarHBondContact O-CB 3.15Å; E180-W184 PolarHBondContact O-N 2.94Å; E181-W184 PolarHBondContact O-N 3.2Å; W184-T187 PolarHBondContact O-N 3.41Å; W184-T187 PolarHBondContact O-OG1 2.09Å; W184-T187 VanDerWaalsContact O-OG1 3.11Å; W184-A188 WeakPolarHBondContact O-CB 3.06Å; W184-A188 PolarHBondContact O-N 3.23Å
185T53.5Low57.9Low100 Ų100125 Ų12561%0.61366%0.664SS**Hα-helixtrans-69.5-32.1179.250.50000113E181 Q182E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 VanDerWaalsContact O-CG2 3.28Å; E181-T185 WeakPolarHBondContact O-CG2 3.36Å; E181-T185 PolarHBondContact O-N 2.82Å; E181-T185 PolarHBondContact O-OG1 3.36Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.4Å; Q182-T185 PolarHBondContact O-OG1 3.06Å
186Q51.3Low55.7Low159 Ų159129 Ų12974%0.74368%0.679SS**Hα-helixtrans-73.7-27.5174.5-73.717731.400113.7Q182Q182-Q186 WeakPolarHBondContact O-CB 3.4Å; Q182-Q186 VanDerWaalsContact O-CG 3.32Å; Q182-Q186 WeakPolarHBondContact O-CG 3.49Å; Q182-Q186 PolarHBondContact O-N 3.25Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å
187T48.5Very low54Low115 Ų115126.8 Ų126.871%0.70668%0.681SS**Hα-helixtrans-88.3-14.6179.453.30000113.8R183 W184R183-T187 WeakPolarHBondContact O-CG2 3.07Å; R183-T187 PolarHBondContact O-N 3.45Å; R183-T187 PolarHBondContact O-OG1 3.35Å; W184-T187 PolarHBondContact O-N 3.41Å; W184-T187 PolarHBondContact O-OG1 2.09Å; W184-T187 VanDerWaalsContact O-OG1 3.11Å
188A44.9Very low52.3Low68 Ų68133.4 Ų133.456%0.56271%0.707SS**  trans-9313.1179.700000114.3W184 E190W184-A188 WeakPolarHBondContact O-CB 3.06Å; W184-A188 PolarHBondContact O-N 3.23Å; A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 3.03Å; A188-E190 VanDerWaalsContact O-N 3.1Å
189G43.7Very low51Low58 Ų58138.7 Ų138.760%0.59872%0.722SS**  trans-81.762.8172.600000112.9
190E39.8Very low49.7Very low183 Ų183137.9 Ų137.986%0.85573%0.728SS**SBendtrans171.8138.9147.4-99.8170.595.200110.4A188A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 3.03Å; A188-E190 VanDerWaalsContact O-N 3.1Å
191S31.4Very low49Very low125 Ų125143.3 Ų143.387%0.87474%0.742SS**  trans92.2123.517778.10000118.3
192S35.3Very low48.6Very low109 Ų109144.8 Ų144.876%0.76275%0.753SS**  trans-87.9154.3-171.3-46.10000113
193I34.7Very low48.2Very low167 Ų167148.9 Ų148.986%0.85677%0.769SS**  trans67.2125.8157.5-78.8165000114
194S33.9Very low47.6Very low112 Ų112149.8 Ų149.878%0.78378%0.778SS**  cis-163.6159.338.249.70000111.8
195D41.1Very low47.6Very low152 Ų152145.2 Ų145.281%0.81378%0.776SS**  trans-54.9164.9174.8-139.7-68.3000117
196D36.9Very low47.6Very low131 Ų131145.9 Ų145.970%0.70179%0.791SS**  trans88.3114.9153.7-144.8-79.3000120.9
197S45.7Very low47.8Very low90 Ų90147.8 Ų147.863%0.62979%0.793SS**  145.299.1123-82.10000113.9R199S197-R199 PolarHBondContact O-N 2.98Å; S197-R199 VanDerWaalsContact O-N 3.08Å
198K49.2Very low47.5Very low221 Ų221151.8 Ų151.896%0.96180%0.801SS**  trans-63.2102.2155.2-81.8172.1177.7170.30109.2
199R55.5Low47.8Very low227 Ų227154.5 Ų154.586%0.85782%0.816SS**  trans-77.1132.4169.9-73-176.4178.5-155.10.7111S197S197-R199 PolarHBondContact O-N 2.98Å; S197-R199 VanDerWaalsContact O-N 3.08Å
200P55.2Low47.9Very low115 Ų115159.5 Ų159.575%0.74783%0.829SS**  trans-72.4133.4175.427.6-32000111.8I202P200-I202 PolarHBondContact O-N 2.97Å
201R58.4Low48.6Very low254 Ų254159.8 Ų159.896%0.95883%0.83SS**  trans-68.6110173-89.1169103.4148-0.3110.4
202I64.9Low49.6Very low157 Ų157161.9 Ų161.981%0.80583%0.826SS**PPolyproline II helixtrans-74120.9168.6-62.8166.6000108.1P200P200-I202 PolarHBondContact O-N 2.97Å
203K61.6Low50.6Low200 Ų200165.9 Ų165.987%0.8783%0.833SS**PPolyproline II helixtrans-77.3122.2167.2-78.4-178.9175.8-177.70108.4S205K203-S205 PolarHBondContact O-N 2.99Å
204K57.7Low51.4Low204 Ų204165.4 Ų165.489%0.88783%0.831SS**PPolyproline II helixtrans-63.3130.4170.8-73.2177175.1179.60109.2
205S56.9Low52.2Low103 Ų103165.4 Ų165.472%0.7283%0.831SS**PPolyproline II helixtrans-70.9125.5170.146.40000109.6K203 Y207K203-S205 PolarHBondContact O-N 2.99Å; S205-Y207 PolarHBondContact O-N 2.66Å
206A53.5Low52.8Low113 Ų113169.8 Ų169.893%0.93486%0.855SS**SBendtrans-77.539.8175.200000112.6
207Y55.3Low53.6Low199 Ų199171.7 Ų171.778%0.7886%0.863SS**  trans-129.850-173.2-168.1-102000110.7S205S205-Y207 PolarHBondContact O-N 2.66Å
208F41.3Very low54Low199 Ų199176 Ų17687%0.87388%0.875SS**  trans-170.273.9161.9-116.6-81.6000107.8
209S52.7Low54.2Low125 Ų125173.5 Ų173.587%0.87487%0.87SS**  trans-141.280.2161.5-81.90000106
210D45.8Very low54.2Low163 Ų163170.4 Ų170.487%0.87287%0.871SS**  trans-130.999.9149.5-113.1-28.2000104.3
211E54.8Low54.1Low189 Ų189173.8 Ų173.888%0.88388%0.879SS**  trans-64.7153.2165.1-81.6179.393.400109.3
212E51.8Low53.8Low169 Ų169168.5 Ų168.579%0.7987%0.873SS**  trans-59.8140.4172.8-59.1175.813900111.9
213E55Low53Low193 Ų193169.3 Ų169.390%0.90288%0.878SS**  trans-128.688.7143.9-98.4-174.6164.700108.2
214L52.1Low52.4Low157 Ų157166.9 Ų166.982%0.82288%0.879SS**  trans-67.5118.9152.7-99.7131.1000107.2
215S51.3Low51.9Low112 Ų112163.8 Ų163.878%0.78388%0.878SS**  trans-114.413316233.40000108.6
216D52.6Low51.5Low244 Ų244169.4 Ų169.4100%1.30589%0.893SS**  trans-51.90175.9-86.7-63.3000114

Retrieved 216 of 216 residues in 31.2 ms (Link to these results)