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Large ribosomal subunit protein uL6

This protein binds to the 23S rRNA, and is important in its secondary structure. It is located near the subunit interface in the base of the L7/L12 stalk, and near the tRNA binding site of the peptidyltransferase center.

AlphaFold DB , UniProt , Accession Q2FW21, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rplF, Length 178 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
1M56.8Low84.6Confident186 Ų18695.8 Ų95.892%0.91647%0.469SS*.  01410-85.4-168.9-97.700110R3 R62M1-R3 PolarHBondContact O-N 2.76Å; M1-R62 VanDerWaalsContact CB-NH2 3.28Å; M1-R62 VanDerWaalsContact CE-NH1 3.25Å; M1-R62 PolarHBondContact SD-NH2 3.22Å
2S66Low85.4Confident97 Ų9791.6 Ų91.668%0.67845%0.454SS*.  trans-51.5128.9-176-1790000112.5V4S2-V4 VanDerWaalsContact OG-CG2 3.27Å; S2-V4 WeakPolarHBondContact OG-CG2 3.48Å; S2-V4 PolarHBondContact OG-N 3.31Å
3R82.7Confident86Confident213 Ų21394.5 Ų94.580%0.80449%0.489SS*.  trans-97.49.3175.6-63.7-178.2-178.8-179.90.4112.4M1 G5 K6M1-R3 PolarHBondContact O-N 2.76Å; R3-G5 VanDerWaalsContact C-N 3.31Å; R3-G5 PolarHBondContact O-N 2.91Å; R3-K6 PolarHBondContact O-N 2.95Å
4V84.2Confident86.5Confident54 Ų5493.3 Ų93.333%0.32748%0.484SS..G310 helixtrans-60.5-36.2-172.2173.80000112.8S2 K6 K7 R69S2-V4 VanDerWaalsContact OG-CG2 3.27Å; S2-V4 WeakPolarHBondContact OG-CG2 3.48Å; S2-V4 PolarHBondContact OG-N 3.31Å; V4-K6 VanDerWaalsContact C-N 3.3Å; V4-K6 PolarHBondContact O-N 3.43Å; V4-K7 WeakPolarHBondContact O-CB 3.47Å; V4-K7 PolarHBondContact O-N 2.84Å; V4-R69 WeakPolarHBondContact O-CD 3.3Å; V4-R69 PolarHBondContact O-NE 3.01Å
5G83.7Confident87.1Confident7 Ų787.6 Ų87.67%0.07246%0.455CS..G310 helixtrans-58.2-40177.400000113.2R3 K7 H65R3-G5 VanDerWaalsContact C-N 3.31Å; R3-G5 PolarHBondContact O-N 2.91Å; G5-K7 PolarHBondContact O-N 3.4Å; G5-K7 VanDerWaalsContact O-N 3.09Å; G5-H65 VanDerWaalsContact C-CE1 3.5Å; G5-H65 WeakPolarHBondContact CA-NE2 3.37Å; G5-H65 PolarHBondContact O-NE2 2.81Å
6K87.4Confident87.6Confident142 Ų14287.6 Ų87.662%0.61746%0.46SS*.G310 helixtrans-71.6-4.4-178.6-61.5-170.4174.9-163.90114.2R3 V4 I8R3-K6 PolarHBondContact O-N 2.95Å; V4-K6 VanDerWaalsContact C-N 3.3Å; V4-K6 PolarHBondContact O-N 3.43Å; K6-I8 PolarHBondContact O-N 3.01Å
7K92Very high88.1Confident129 Ų12982.7 Ų82.756%0.56144%0.435SS*.SBendtrans-80.2122.1178.2-68.7-172.1174.7-167.30108.9V4 G5 R69V4-K7 WeakPolarHBondContact O-CB 3.47Å; V4-K7 PolarHBondContact O-N 2.84Å; G5-K7 PolarHBondContact O-N 3.4Å; G5-K7 VanDerWaalsContact O-N 3.09Å; K7-R69 PolarHBondContact O-NE 3.27Å
8I94.5Very high88.4Confident87 Ų8782 Ų8245%0.44643%0.434SS..  trans-55.4149.1169.6-59.6171.6000109.4K6 T49 R69K6-I8 PolarHBondContact O-N 3.01Å; I8-T49 HydrophobicContact CG2-CG2 3.79Å; I8-R69 PolarHBondContact O-NH2 3.01Å; I8-R69 VanDerWaalsContact O-NH2 3.12Å
9I95.1Very high88.7Confident1 Ų180.6 Ų80.61%0.00542%0.424CS..EExtended strand (participates in β ladder)trans-105.3115.1172.1-58.4170.5000106.7T49 I50 R69 L72 N73 V76I9-T49 CarbonylContact O-C 3.58Å; I9-T49 WeakPolarHBondContact O-CA 3.14Å; I9-I50 HydrophobicContact CB-CB 4.36Å; I9-I50 PolarHBondContact N-O 3.13Å; I9-I50 PolarHBondContact O-N 3.11Å; I9-R69 HydrophobicContact CD1-CG 4.14Å; I9-R69 HydrophobicContact CG1-CG 4.24Å; I9-L72 HydrophobicContact CD1-CB 3.84Å; I9-L72 HydrophobicContact CD1-CD2 3.76Å; I9-L72 HydrophobicContact CD1-CG 3.73Å; I9-N73 HydrophobicContact CD1-CB 3.99Å; I9-N73 HydrophobicContact CG1-CB 4.07Å; I9-N73 HydrophobicContact CG2-CB 4.42Å; I9-V76 HydrophobicContact CG2-CB 4.5Å; I9-V76 HydrophobicContact CG2-CG2 4.29Å
10D94.7Very high88.8Confident120 Ų12083 Ų8364%0.64244%0.437SS*.EExtended strand (participates in β ladder)trans-77.6129.9172.5-52.2-54.1000109P12D10-P12 WeakPolarHBondContact O-CD 3.14Å
11I94Very high88.9Confident18 Ų1882.1 Ų82.19%0.09245%0.448CS..PPolyproline II helixtrans-93116.5176.2-49.2177.1000107.6V15 V17 N48 I50I11-V15 HydrophobicContact CG2-CB 3.99Å; I11-V15 HydrophobicContact CG2-CG1 4.14Å; I11-V15 VanDerWaalsContact CG2-O 3.27Å; I11-V15 WeakPolarHBondContact CG2-O 3.29Å; I11-V17 HydrophobicContact CD1-CB 4.46Å; I11-V17 HydrophobicContact CD1-CG2 4.2Å; I11-V17 HydrophobicContact CG1-CG2 4.49Å; I11-V17 HydrophobicContact CG2-CG2 4.34Å; I11-N48 PolarHBondContact N-O 2.84Å; I11-I50 HydrophobicContact CD1-CD1 3.72Å; I11-I50 HydrophobicContact CD1-CG1 3.61Å; I11-I50 HydrophobicContact CG1-CD1 4.03Å; I11-I50 HydrophobicContact CG1-CG1 3.92Å
12P93.8Very high90.4Very high45 Ų4575 Ų7529%0.29241%0.414SS..PPolyproline II helixtrans-59.8149.4170.2-24.136.3000111.4D10 D14 V15 V76D10-P12 WeakPolarHBondContact O-CD 3.14Å; P12-D14 WeakPolarHBondContact CB-OD1 3.19Å; P12-D14 PolarHBondContact O-N 2.81Å; P12-V15 HydrophobicContact CB-CG2 4.16Å; P12-V15 HydrophobicContact CG-CG2 4.26Å; P12-V15 PolarHBondContact O-N 2.89Å; P12-V76 HydrophobicContact CG-CG1 4.42Å
13S92.6Very high91.8Very high130 Ų13073.4 Ų73.491%0.90940%0.395SS*.THydrogen-bonded Turntrans-62.6-18.5-175.555.80000114.9
14D93.1Very high92.4Very high77 Ų7763.2 Ų63.241%0.41236%0.357SS..THydrogen-bonded Turntrans-93.94.8177.363.5-19.5000113.2P12 P29P12-D14 WeakPolarHBondContact CB-OD1 3.19Å; P12-D14 PolarHBondContact O-N 2.81Å; D14-P29 WeakPolarHBondContact O-CD 3.4Å; D14-P29 VanDerWaalsContact OD2-CG 3.32Å; D14-P29 WeakPolarHBondContact OD2-CG 3.42Å
15V95.8Very high93Very high8 Ų862.1 Ų62.15%0.04835%0.35CS..  trans-115.5133.3179.6179.10000110.7I11 P12 V17 V26 K27 V76 V79I11-V15 HydrophobicContact CG2-CB 3.99Å; I11-V15 HydrophobicContact CG2-CG1 4.14Å; I11-V15 VanDerWaalsContact CG2-O 3.27Å; I11-V15 WeakPolarHBondContact CG2-O 3.29Å; P12-V15 HydrophobicContact CB-CG2 4.16Å; P12-V15 HydrophobicContact CG-CG2 4.26Å; P12-V15 PolarHBondContact O-N 2.89Å; V15-V17 HydrophobicContact CG1-CG2 4.29Å; V15-V26 HydrophobicContact CG1-CG1 3.67Å; V15-K27 CarbonylContact C-O 3.55Å; V15-K27 VanDerWaalsContact CA-O 3.28Å; V15-K27 WeakPolarHBondContact CA-O 3.45Å; V15-K27 WeakPolarHBondContact CG1-O 3.45Å; V15-V76 HydrophobicContact CG1-CG1 4.27Å; V15-V79 HydrophobicContact CG1-CG2 3.84Å; V15-V79 HydrophobicContact CG2-CG2 3.91Å
16T94.8Very high93.7Very high87 Ų8761.8 Ų61.853%0.53435%0.347SS..EExtended strand (participates in β ladder)trans-112.5130.8171.8-55.40000109.6T18 V26 K27T16-T18 HydrophobicContact CG2-CG2 4.2Å; T16-V26 CarbonylContact O-C 3.59Å; T16-V26 WeakPolarHBondContact O-CA 3.22Å; T16-K27 PolarHBondContact N-O 3.4Å; T16-K27 PolarHBondContact O-N 2.84Å
17V95.8Very high94.1Very high5 Ų560 Ų603%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-115.2126.2174.4-176.30000108.7I11 V15 F19 V24 V26 Q45 I50 L72 V76I11-V17 HydrophobicContact CD1-CB 4.46Å; I11-V17 HydrophobicContact CD1-CG2 4.2Å; I11-V17 HydrophobicContact CG1-CG2 4.49Å; I11-V17 HydrophobicContact CG2-CG2 4.34Å; V15-V17 HydrophobicContact CG1-CG2 4.29Å; V17-F19 HydrophobicContact CG1-CD2 4.21Å; V17-F19 HydrophobicContact CG1-CE2 3.58Å; V17-F19 HydrophobicContact CG1-CZ 3.81Å; V17-V24 HydrophobicContact CG1-CG2 3.63Å; V17-V26 HydrophobicContact CG1-CG2 4.19Å; V17-V26 HydrophobicContact CG2-CG1 4.1Å; V17-V26 HydrophobicContact CG2-CG2 4.2Å; V17-Q45 PolarHBondContact O-NE2 2.73Å; V17-Q45 VanDerWaalsContact O-NE2 3.15Å; V17-I50 HydrophobicContact CB-CD1 3.88Å; V17-I50 HydrophobicContact CG1-CD1 3.68Å; V17-I50 HydrophobicContact CG2-CD1 3.88Å; V17-L72 HydrophobicContact CG1-CD1 4.38Å; V17-V76 HydrophobicContact CG2-CG2 3.94Å
18T95.1Very high94.3Very high70 Ų7054.7 Ų54.743%0.42932%0.321SS..EExtended strand (participates in β ladder)trans-122.9131.9177.655.90000109.8T16 V24 T25T16-T18 HydrophobicContact CG2-CG2 4.2Å; T18-V24 WeakPolarHBondContact O-CA 3.23Å; T18-T25 PolarHBondContact N-O 2.83Å; T18-T25 PolarHBondContact O-N 2.87Å; T18-T25 WeakPolarHBondContact OG1-CB 3.36Å; T18-T25 PolarHBondContact OG1-O 2.82Å
19F92.9Very high94.3Very high55 Ų5554.6 Ų54.624%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-108.5129.9175.9-66.5-85.1000110.5V17 V24 F43 Q45 I50 L72V17-F19 HydrophobicContact CG1-CD2 4.21Å; V17-F19 HydrophobicContact CG1-CE2 3.58Å; V17-F19 HydrophobicContact CG1-CZ 3.81Å; F19-V24 HydrophobicContact CD1-CB 3.91Å; F19-V24 HydrophobicContact CD1-CG2 3.83Å; F19-V24 HydrophobicContact CE1-CB 3.85Å; F19-V24 HydrophobicContact CE1-CG2 3.55Å; F19-V24 HydrophobicContact CG-CG2 4.46Å; F19-V24 HydrophobicContact CZ-CG2 3.98Å; F19-F43 HydrophobicContact CD1-CB 4.27Å; F19-F43 AromaticContact CD1-CD2 3.95Å; F19-F43 HydrophobicContact CD1-CD2 3.95Å; F19-F43 AromaticContact CD1-CG 3.99Å; F19-F43 HydrophobicContact CD1-CG 3.99Å; F19-F43 HydrophobicContact CE1-CB 3.9Å; F19-F43 AromaticContact CE1-CD1 3.63Å; F19-F43 HydrophobicContact CE1-CD1 3.63Å; F19-F43 AromaticContact CE1-CD2 3.84Å; F19-F43 HydrophobicContact CE1-CD2 3.84Å; F19-F43 HydrophobicContact CE1-CE1 4.11Å; F19-F43 HydrophobicContact CE1-CE2 4.31Å; F19-F43 AromaticContact CE1-CG 3.49Å; F19-F43 HydrophobicContact CE1-CG 3.49Å; F19-F43 VanDerWaalsContact CE1-CG 3.49Å; F19-F43 HydrophobicContact CE1-CZ 4.44Å; F19-F43 HydrophobicContact CE2-CB 4.28Å; F19-F43 HydrophobicContact CZ-CB 3.91Å; F19-F43 AromaticContact CZ-CD1 3.92Å; F19-F43 HydrophobicContact CZ-CD1 3.92Å; F19-F43 AromaticContact CZ-CG 3.9Å; F19-F43 HydrophobicContact CZ-CG 3.9Å; F19-Q45 VanDerWaalsContact CD2-OE1 3.29Å; F19-I50 HydrophobicContact CE2-CD1 4Å; F19-I50 HydrophobicContact CE2-CG2 4.43Å; F19-I50 HydrophobicContact CZ-CD1 4.08Å; F19-I50 HydrophobicContact CZ-CG2 4.17Å; F19-L72 HydrophobicContact CE1-CD2 4.34Å; F19-L72 HydrophobicContact CZ-CD1 4.44Å; F19-L72 HydrophobicContact CZ-CD2 3.86Å
20D91.6Very high94.2Very high129 Ų12960.2 Ų60.269%0.6935%0.351SS*.EExtended strand (participates in β ladder)trans-117.290.9165.6-177.217.9000107.8N22 H23D20-N22 PolarHBondContact O-N 2.8Å; D20-N22 VanDerWaalsContact O-N 3.15Å; D20-H23 PolarHBondContact N-O 3.24Å; D20-H23 WeakPolarHBondContact O-CB 3.29Å; D20-H23 PolarHBondContact O-N 2.88Å
21G89.6Confident94.2Very high64 Ų6455.9 Ų55.966%0.6633%0.334SS*.THydrogen-bonded Turntrans60.8-115.1-166.900000111.8
22N89.6Confident94.3Very high38 Ų3860.2 Ų60.220%0.20335%0.354CS..THydrogen-bonded Turntrans-97.5-2.4174.567.6-36.9000113.4D20 T36 L37 E39D20-N22 PolarHBondContact O-N 2.8Å; D20-N22 VanDerWaalsContact O-N 3.15Å; N22-T36 WeakPolarHBondContact ND2-CG2 3.14Å; N22-L37 PolarHBondContact ND2-O 2.88Å; N22-L37 PolarHBondContact O-N 2.87Å; N22-E39 HydrophobicContact CB-CG 4.36Å; N22-E39 WeakPolarHBondContact ND2-CG 3.43Å
23H95.1Very high94.4Very high62 Ų6259.3 Ų59.329%0.28735%0.347SS..EExtended strand (participates in β ladder)trans-82.6121.7172.5-167.576.1000109.2D20 T36D20-H23 PolarHBondContact N-O 3.24Å; D20-H23 WeakPolarHBondContact O-CB 3.29Å; D20-H23 PolarHBondContact O-N 2.88Å; H23-T36 PolarHBondContact ND1-OG1 2.58Å; H23-T36 VanDerWaalsContact ND1-OG1 3.07Å
24V96.1Very high94.5Very high0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-111.9134.6178.968.60000110V17 T18 F19 V26 S34 R35 L37 L72 M75V17-V24 HydrophobicContact CG1-CG2 3.63Å; T18-V24 WeakPolarHBondContact O-CA 3.23Å; F19-V24 HydrophobicContact CD1-CB 3.91Å; F19-V24 HydrophobicContact CD1-CG2 3.83Å; F19-V24 HydrophobicContact CE1-CB 3.85Å; F19-V24 HydrophobicContact CE1-CG2 3.55Å; F19-V24 HydrophobicContact CG-CG2 4.46Å; F19-V24 HydrophobicContact CZ-CG2 3.98Å; V24-V26 HydrophobicContact CG2-CG2 3.97Å; V24-S34 CarbonylContact O-C 3.53Å; V24-S34 VanDerWaalsContact O-CA 3.31Å; V24-S34 WeakPolarHBondContact O-CA 3.46Å; V24-R35 WeakPolarHBondContact CG1-O 3.4Å; V24-R35 PolarHBondContact N-O 2.88Å; V24-R35 PolarHBondContact O-N 3.46Å; V24-L37 HydrophobicContact CB-CD1 4.27Å; V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CG 3.87Å; V24-L72 HydrophobicContact CG1-CD1 4.26Å; V24-L72 HydrophobicContact CG2-CD1 3.8Å; V24-M75 HydrophobicContact CG1-CE 3.93Å; V24-M75 HydrophobicContact CG1-SD 3.93Å
25T96.8Very high94.6Very high30 Ų3057.6 Ų57.618%0.18433%0.327CS..EExtended strand (participates in β ladder)trans-117.5129.1167.8-620000108.5T18 K27 L33T18-T25 PolarHBondContact N-O 2.83Å; T18-T25 PolarHBondContact O-N 2.87Å; T18-T25 WeakPolarHBondContact OG1-CB 3.36Å; T18-T25 PolarHBondContact OG1-O 2.82Å; T25-K27 HydrophobicContact CG2-CG 4.15Å; T25-L33 WeakPolarHBondContact CA-O 3.46Å
26V96.9Very high94.6Very high0 Ų061.1 Ų61.10%035%0.349CS..EExtended strand (participates in β ladder)trans-120.9120.8-179.1-175.60000107.8V15 T16 V17 V24 E32 L33 L72 M75 V76 V79V15-V26 HydrophobicContact CG1-CG1 3.67Å; T16-V26 CarbonylContact O-C 3.59Å; T16-V26 WeakPolarHBondContact O-CA 3.22Å; V17-V26 HydrophobicContact CG1-CG2 4.19Å; V17-V26 HydrophobicContact CG2-CG1 4.1Å; V17-V26 HydrophobicContact CG2-CG2 4.2Å; V24-V26 HydrophobicContact CG2-CG2 3.97Å; V26-E32 CarbonylContact O-C 3.54Å; V26-E32 VanDerWaalsContact O-CA 3.29Å; V26-E32 WeakPolarHBondContact O-CA 3.48Å; V26-L33 PolarHBondContact N-O 3.42Å; V26-L33 PolarHBondContact O-N 2.79Å; V26-L72 HydrophobicContact CG2-CD1 4.14Å; V26-M75 HydrophobicContact CB-CB 4.24Å; V26-M75 HydrophobicContact CB-CE 4.48Å; V26-M75 HydrophobicContact CG2-CB 3.9Å; V26-M75 HydrophobicContact CG2-CE 4Å; V26-V76 HydrophobicContact CG1-CG2 4.05Å; V26-V79 HydrophobicContact CG1-CG1 4.43Å; V26-V79 HydrophobicContact CG1-CG2 3.61Å
27K97Very high94.6Very high104 Ų10457.4 Ų57.445%0.45233%0.325SS..EExtended strand (participates in β ladder)trans-116.3137.3-179.1-56.7-164.3180-145.10109.9V15 T16 T25 E32V15-K27 CarbonylContact C-O 3.55Å; V15-K27 VanDerWaalsContact CA-O 3.28Å; V15-K27 WeakPolarHBondContact CA-O 3.45Å; V15-K27 WeakPolarHBondContact CG1-O 3.45Å; T16-K27 PolarHBondContact N-O 3.4Å; T16-K27 PolarHBondContact O-N 2.84Å; T25-K27 HydrophobicContact CG2-CG 4.15Å; K27-E32 HydrophobicContact CB-CB 4.49Å; K27-E32 WeakPolarHBondContact CE-OE2 3.28Å; K27-E32 HydrophobicContact CG-CB 3.93Å; K27-E32 IonicContact NZ-OE2 3.66Å; K27-E32 PolarHBondContact NZ-OE2 3.01Å
28G95Very high94.4Very high18 Ų1859.7 Ų59.719%0.18634%0.337CS..EExtended strand (participates in β ladder)trans-154.3-175.4177.100000111.8K30 G31G28-K30 PolarHBondContact O-N 2.81Å; G28-G31 PolarHBondContact N-O 2.8Å; G28-G31 PolarHBondContact O-N 2.79Å; G28-G31 VanDerWaalsContact O-N 3.16Å; G28-G31 VanDerWaalsContact O-O 3.12Å
29P94.9Very high94.2Very high85 Ų8564 Ų6455%0.55235%0.353SS*.THydrogen-bonded Turntrans-61.8-27-174.726.9-38.8000114D14 V79D14-P29 WeakPolarHBondContact O-CD 3.4Å; D14-P29 VanDerWaalsContact OD2-CG 3.32Å; D14-P29 WeakPolarHBondContact OD2-CG 3.42Å; P29-V79 WeakPolarHBondContact CD-O 3.49Å
30K93.8Very high94.1Very high120 Ų12066.4 Ų66.452%0.52236%0.36SS..THydrogen-bonded Turntrans-90.4-7.4-179.5-61.6-165172.2-162.80114.4G28 V79 Q81 I136G28-K30 PolarHBondContact O-N 2.81Å; K30-V79 VanDerWaalsContact CB-O 3.31Å; K30-V79 WeakPolarHBondContact CB-O 3.39Å; K30-V79 PolarHBondContact N-O 3.4Å; K30-Q81 WeakPolarHBondContact CE-O 3.5Å; K30-Q81 PolarHBondContact NZ-O 3.36Å; K30-I136 HydrophobicContact CB-CG2 3.63Å
31G94.1Very high94.1Very high29 Ų2960.6 Ų60.630%0.29933%0.329SS..EExtended strand (participates in β ladder)trans141.3-161.9-179.300000113G28 V79G28-G31 PolarHBondContact N-O 2.8Å; G28-G31 PolarHBondContact O-N 2.79Å; G28-G31 VanDerWaalsContact O-N 3.16Å; G28-G31 VanDerWaalsContact O-O 3.12Å; G31-V79 WeakPolarHBondContact O-CG1 3.15Å
32E95.4Very high94.3Very high109 Ų10961.5 Ų61.551%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-127.6148.817965.1-180-163.400111.9V26 K27 I136V26-E32 CarbonylContact O-C 3.54Å; V26-E32 VanDerWaalsContact O-CA 3.29Å; V26-E32 WeakPolarHBondContact O-CA 3.48Å; K27-E32 HydrophobicContact CB-CB 4.49Å; K27-E32 WeakPolarHBondContact CE-OE2 3.28Å; K27-E32 HydrophobicContact CG-CB 3.93Å; K27-E32 IonicContact NZ-OE2 3.66Å; K27-E32 PolarHBondContact NZ-OE2 3.01Å; E32-I136 WeakPolarHBondContact O-CD1 3.41Å
33L96.2Very high94.4Very high25 Ų2561.3 Ų61.313%0.13132%0.319CS..EExtended strand (participates in β ladder)trans-131.7134.2174.1-73.7174.3000109.1T25 V26 M75 V79 I136T25-L33 WeakPolarHBondContact CA-O 3.46Å; V26-L33 PolarHBondContact N-O 3.42Å; V26-L33 PolarHBondContact O-N 2.79Å; L33-M75 HydrophobicContact CB-CE 3.74Å; L33-M75 HydrophobicContact CB-CG 4.43Å; L33-M75 HydrophobicContact CD1-CB 4.29Å; L33-M75 HydrophobicContact CD1-CG 4.27Å; L33-M75 VanDerWaalsContact O-CE 3.26Å; L33-M75 WeakPolarHBondContact O-CE 3.31Å; L33-V79 HydrophobicContact CB-CG1 4.4Å; L33-V79 HydrophobicContact CD1-CG1 4.2Å; L33-V79 HydrophobicContact CG-CG1 4.14Å; L33-I136 HydrophobicContact CD1-CB 4.39Å; L33-I136 HydrophobicContact CD1-CD1 4.48Å; L33-I136 HydrophobicContact CD1-CG1 4.19Å; L33-I136 HydrophobicContact CD2-CD1 3.85Å; L33-I136 HydrophobicContact CD2-CG1 3.89Å; L33-I136 HydrophobicContact CG-CD1 3.82Å; L33-I136 HydrophobicContact CG-CG1 4Å
34S95.8Very high94.3Very high81 Ų8163.8 Ų63.857%0.56633%0.329SS*.EExtended strand (participates in β ladder)trans-120.9144174.161.30000110.6V24V24-S34 CarbonylContact O-C 3.53Å; V24-S34 VanDerWaalsContact O-CA 3.31Å; V24-S34 WeakPolarHBondContact O-CA 3.46Å
35R95.1Very high94Very high90 Ų9068.2 Ų68.234%0.3435%0.35SS..EExtended strand (participates in β ladder)trans-160.8145.3177.4-175.3168.4174.9159.6-1.3111.6V24 L37 L71 M75 E139V24-R35 WeakPolarHBondContact CG1-O 3.4Å; V24-R35 PolarHBondContact N-O 2.88Å; V24-R35 PolarHBondContact O-N 3.46Å; R35-L37 HydrophobicContact CG-CD2 4.45Å; R35-L71 VanDerWaalsContact CZ-CD1 3.41Å; R35-L71 VanDerWaalsContact NH1-CD2 3.26Å; R35-M75 HydrophobicContact CB-CE 3.91Å; R35-M75 HydrophobicContact CB-SD 3.97Å; R35-E139 IonicContact CZ-OE1 3.07Å; R35-E139 VanDerWaalsContact NH1-CD 3.34Å; R35-E139 IonicContact NH1-OE1 3.01Å; R35-E139 PolarHBondContact NH1-OE1 3.24Å; R35-E139 IonicContact NH1-OE2 3.94Å; R35-E139 PolarHBondContact NH1-OE2 3.15Å; R35-E139 IonicContact NH2-OE1 2.98Å
36T95.5Very high93.7Very high83 Ų8373.4 Ų73.451%0.50937%0.372SS..EExtended strand (participates in β ladder)trans-86.2120166.9-54.80000110.2N22 H23N22-T36 WeakPolarHBondContact ND2-CG2 3.14Å; H23-T36 PolarHBondContact ND1-OG1 2.58Å; H23-T36 VanDerWaalsContact ND1-OG1 3.07Å
37L93.8Very high93Very high8 Ų882.1 Ų82.14%0.04241%0.413CS..PPolyproline II helixtrans-92.4172177.5-63.6179.3000111.1N22 V24 R35 E39 F43 T68 L71 L72N22-L37 PolarHBondContact ND2-O 2.88Å; N22-L37 PolarHBondContact O-N 2.87Å; V24-L37 HydrophobicContact CB-CD1 4.27Å; V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CG 3.87Å; R35-L37 HydrophobicContact CG-CD2 4.45Å; L37-E39 PolarHBondContact O-N 2.84Å; L37-F43 HydrophobicContact CB-CE2 4.47Å; L37-F43 HydrophobicContact CB-CZ 3.81Å; L37-F43 HydrophobicContact CD1-CE1 3.6Å; L37-F43 HydrophobicContact CD1-CE2 4.39Å; L37-F43 HydrophobicContact CD1-CZ 3.42Å; L37-F43 VanDerWaalsContact CD1-CZ 3.42Å; L37-F43 HydrophobicContact CG-CZ 4.27Å; L37-T68 HydrophobicContact CB-CG2 4.04Å; L37-T68 HydrophobicContact CD1-CG2 3.97Å; L37-T68 HydrophobicContact CD2-CG2 4.37Å; L37-T68 HydrophobicContact CG-CG2 4.36Å; L37-L71 HydrophobicContact CD2-CB 4.13Å; L37-L71 HydrophobicContact CD2-CD1 4.31Å; L37-L72 HydrophobicContact CD1-CB 4.34Å
38N91.9Very high92.7Very high53 Ų5382.1 Ų82.128%0.28342%0.418SS..PPolyproline II helixtrans-64.8124.5-178.1-170.4-63.8000111.1R40 M41 N64N38-R40 PolarHBondContact O-N 3.21Å; N38-R40 WeakPolarHBondContact OD1-CB 3.07Å; N38-R40 PolarHBondContact OD1-N 3.44Å; N38-M41 HydrophobicContact CB-CG 4.31Å; N38-M41 PolarHBondContact O-N 2.84Å; N38-M41 VanDerWaalsContact O-N 3.11Å; N38-N64 PolarHBondContact ND2-ND2 2.94Å
39E90.5Very high92.7Very high160 Ų16082.8 Ų82.875%0.74842%0.418SS*.THydrogen-bonded Turntrans-60-25.9-176.2-68171.8-169.100114.2N22 L37 M41N22-E39 HydrophobicContact CB-CG 4.36Å; N22-E39 WeakPolarHBondContact ND2-CG 3.43Å; L37-E39 PolarHBondContact O-N 2.84Å; E39-M41 PolarHBondContact O-N 2.79Å
40R91.1Very high92.7Very high107 Ų10778.7 Ų78.740%0.40439%0.392SS..THydrogen-bonded Turntrans-74.4-15.8-179.8-65.6-175.964.4168-2.4112.8N38 P55 E60 D61N38-R40 PolarHBondContact O-N 3.21Å; N38-R40 WeakPolarHBondContact OD1-CB 3.07Å; N38-R40 PolarHBondContact OD1-N 3.44Å; R40-P55 HydrophobicContact CB-CG 4.45Å; R40-P55 VanDerWaalsContact O-CD 3.24Å; R40-P55 WeakPolarHBondContact O-CD 3.41Å; R40-P55 WeakPolarHBondContact O-CG 3.08Å; R40-E60 IonicContact NH1-OE1 3.92Å; R40-E60 IonicContact NH1-OE2 2.64Å; R40-E60 PolarHBondContact NH1-OE2 3.39Å; R40-E60 VanDerWaalsContact NH1-OE2 3.11Å; R40-D61 IonicContact CZ-OD1 3.77Å; R40-D61 IonicContact CZ-OD2 2.58Å; R40-D61 IonicContact NE-OD1 3.11Å; R40-D61 PolarHBondContact NE-OD1 3.19Å; R40-D61 IonicContact NH1-OD1 3.1Å; R40-D61 VanDerWaalsContact NH2-CG 3.28Å; R40-D61 IonicContact NH2-OD1 2.87Å; R40-D61 PolarHBondContact NH2-OD1 3.3Å; R40-D61 IonicContact NH2-OD2 3.44Å; R40-D61 PolarHBondContact NH2-OD2 2.87Å
41M92.4Very high92.7Very high7 Ų776.8 Ų76.83%0.03439%0.385CS..  trans-88.8135.4-178.5-60.7-62.4101.300110.4N38 E39 F43 V52 R54 D61 N64 H65 T68N38-M41 HydrophobicContact CB-CG 4.31Å; N38-M41 PolarHBondContact O-N 2.84Å; N38-M41 VanDerWaalsContact O-N 3.11Å; E39-M41 PolarHBondContact O-N 2.79Å; M41-F43 HydrophobicContact CB-CZ 4.28Å; M41-V52 HydrophobicContact CB-CG1 4.03Å; M41-V52 HydrophobicContact CG-CG1 4.3Å; M41-V52 HydrophobicContact SD-CG1 4.39Å; M41-R54 HydrophobicContact CE-CB 4.05Å; M41-R54 HydrophobicContact SD-CB 4.06Å; M41-D61 HydrophobicContact CE-CB 4.42Å; M41-N64 HydrophobicContact CE-CB 4.33Å; M41-H65 WeakPolarHBondContact SD-CA 3.29Å; M41-H65 HydrophobicContact SD-CB 3.7Å; M41-T68 HydrophobicContact CB-CG2 4.13Å; M41-T68 HydrophobicContact CG-CG2 4.05Å
42T92.6Very high92.7Very high82 Ų8275.6 Ų75.650%0.50337%0.371SS..EExtended strand (participates in β ladder)trans-99.1139.9173.1-52.90000109.3V53T42-V53 PolarHBondContact N-O 2.78Å; T42-V53 PolarHBondContact O-N 2.94Å
43F92.7Very high92.6Very high35 Ų3572.3 Ų72.315%0.15436%0.359CS..EExtended strand (participates in β ladder)trans-107.9124177.9-55.2-82.7000109.1F19 L37 M41 V52 T68 L72F19-F43 HydrophobicContact CD1-CB 4.27Å; F19-F43 AromaticContact CD1-CD2 3.95Å; F19-F43 HydrophobicContact CD1-CD2 3.95Å; F19-F43 AromaticContact CD1-CG 3.99Å; F19-F43 HydrophobicContact CD1-CG 3.99Å; F19-F43 HydrophobicContact CE1-CB 3.9Å; F19-F43 AromaticContact CE1-CD1 3.63Å; F19-F43 HydrophobicContact CE1-CD1 3.63Å; F19-F43 AromaticContact CE1-CD2 3.84Å; F19-F43 HydrophobicContact CE1-CD2 3.84Å; F19-F43 HydrophobicContact CE1-CE1 4.11Å; F19-F43 HydrophobicContact CE1-CE2 4.31Å; F19-F43 AromaticContact CE1-CG 3.49Å; F19-F43 HydrophobicContact CE1-CG 3.49Å; F19-F43 VanDerWaalsContact CE1-CG 3.49Å; F19-F43 HydrophobicContact CE1-CZ 4.44Å; F19-F43 HydrophobicContact CE2-CB 4.28Å; F19-F43 HydrophobicContact CZ-CB 3.91Å; F19-F43 AromaticContact CZ-CD1 3.92Å; F19-F43 HydrophobicContact CZ-CD1 3.92Å; F19-F43 AromaticContact CZ-CG 3.9Å; F19-F43 HydrophobicContact CZ-CG 3.9Å; L37-F43 HydrophobicContact CB-CE2 4.47Å; L37-F43 HydrophobicContact CB-CZ 3.81Å; L37-F43 HydrophobicContact CD1-CE1 3.6Å; L37-F43 HydrophobicContact CD1-CE2 4.39Å; L37-F43 HydrophobicContact CD1-CZ 3.42Å; L37-F43 VanDerWaalsContact CD1-CZ 3.42Å; L37-F43 HydrophobicContact CG-CZ 4.27Å; M41-F43 HydrophobicContact CB-CZ 4.28Å; F43-V52 HydrophobicContact CD1-CG2 4.07Å; F43-V52 HydrophobicContact CE1-CG1 4.31Å; F43-V52 HydrophobicContact CE1-CG2 4.09Å; F43-T68 HydrophobicContact CE1-CG2 3.67Å; F43-T68 HydrophobicContact CZ-CG2 3.64Å; F43-L72 HydrophobicContact CD1-CD2 4.2Å; F43-L72 HydrophobicContact CE1-CD2 4.3Å
44K92.5Very high92.4Very high113 Ų11373.5 Ų73.549%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-105.8110.9168.7-66.7-178.9-179.7174.70107.8I50 E51 V53K44-I50 WeakPolarHBondContact O-CA 3.32Å; K44-E51 HydrophobicContact CB-CB 4.31Å; K44-E51 PolarHBondContact N-O 3.25Å; K44-E51 PolarHBondContact O-N 2.79Å; K44-V53 HydrophobicContact CD-CG2 3.88Å; K44-V53 HydrophobicContact CG-CG2 4.1Å
45Q90.7Very high92.3Very high93 Ų9373.4 Ų73.444%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-101.9117.5176-178.7171.8-4.400108.4V17 F19 I50V17-Q45 PolarHBondContact O-NE2 2.73Å; V17-Q45 VanDerWaalsContact O-NE2 3.15Å; F19-Q45 VanDerWaalsContact CD2-OE1 3.29Å; Q45-I50 HydrophobicContact CG-CG1 4.28Å
46E89.1Confident92.2Very high139 Ų13971.5 Ų71.565%0.6536%0.359SS*.EExtended strand (participates in β ladder)trans-99.6176.1163.9-61.5177.1176.100107.9N48 T49E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.83Å; E46-N48 VanDerWaalsContact O-N 3.09Å; E46-T49 PolarHBondContact N-O 2.81Å; E46-T49 PolarHBondContact O-N 2.83Å
47E82.8Confident91.9Very high184 Ų18473.1 Ų73.186%0.8637%0.365SS*.THydrogen-bonded Turntrans-48.2-47-168.2-67.8-177.1167.200114
48N91.5Very high91.8Very high103 Ų10374.9 Ų74.955%0.55138%0.378SS*.THydrogen-bonded Turntrans-123.410.4-176.4-64.9-29.8000113.5I11 E46I11-N48 PolarHBondContact N-O 2.84Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.83Å; E46-N48 VanDerWaalsContact O-N 3.09Å
49T94.8Very high91.7Very high32 Ų3281 Ų8120%0.19640%0.402CS..EExtended strand (participates in β ladder)trans-141.7146.7-171.855.10000111.7I8 I9 E46I8-T49 HydrophobicContact CG2-CG2 3.79Å; I9-T49 CarbonylContact O-C 3.58Å; I9-T49 WeakPolarHBondContact O-CA 3.14Å; E46-T49 PolarHBondContact N-O 2.81Å; E46-T49 PolarHBondContact O-N 2.83Å
50I94.4Very high91.7Very high0 Ų078.6 Ų78.60%039%0.391CS..EExtended strand (participates in β ladder)trans-123.5124.4173.2-50.4175.7000109.4I9 I11 V17 F19 K44 Q45 L72I9-I50 HydrophobicContact CB-CB 4.36Å; I9-I50 PolarHBondContact N-O 3.13Å; I9-I50 PolarHBondContact O-N 3.11Å; I11-I50 HydrophobicContact CD1-CD1 3.72Å; I11-I50 HydrophobicContact CD1-CG1 3.61Å; I11-I50 HydrophobicContact CG1-CD1 4.03Å; I11-I50 HydrophobicContact CG1-CG1 3.92Å; V17-I50 HydrophobicContact CB-CD1 3.88Å; V17-I50 HydrophobicContact CG1-CD1 3.68Å; V17-I50 HydrophobicContact CG2-CD1 3.88Å; F19-I50 HydrophobicContact CE2-CD1 4Å; F19-I50 HydrophobicContact CE2-CG2 4.43Å; F19-I50 HydrophobicContact CZ-CD1 4.08Å; F19-I50 HydrophobicContact CZ-CG2 4.17Å; K44-I50 WeakPolarHBondContact O-CA 3.32Å; Q45-I50 HydrophobicContact CG-CG1 4.28Å; I50-L72 HydrophobicContact CB-CD2 4.46Å; I50-L72 HydrophobicContact CD1-CD2 4.11Å; I50-L72 HydrophobicContact CG2-CD2 3.87Å
51E94.5Very high91.7Very high80 Ų8073.5 Ų73.537%0.37437%0.371SS..EExtended strand (participates in β ladder)trans-101.9128.8168-172.8-174.8-154.600109.8K44 V53K44-E51 HydrophobicContact CB-CB 4.31Å; K44-E51 PolarHBondContact N-O 3.25Å; K44-E51 PolarHBondContact O-N 2.79Å; E51-V53 HydrophobicContact CG-CG2 4.03Å
52V93.9Very high91.7Very high3 Ų377.1 Ų77.12%0.01839%0.385CS..EExtended strand (participates in β ladder)trans-92125.4168.8-174.80000107.8M41 F43 H65 T68 R69M41-V52 HydrophobicContact CB-CG1 4.03Å; M41-V52 HydrophobicContact CG-CG1 4.3Å; M41-V52 HydrophobicContact SD-CG1 4.39Å; F43-V52 HydrophobicContact CD1-CG2 4.07Å; F43-V52 HydrophobicContact CE1-CG1 4.31Å; F43-V52 HydrophobicContact CE1-CG2 4.09Å; V52-H65 PolarHBondContact O-CE1 2.98Å; V52-H65 PolarHBondContact O-NE2 2.97Å; V52-T68 HydrophobicContact CG1-CG2 4.19Å; V52-R69 HydrophobicContact CB-CB 4.28Å; V52-R69 HydrophobicContact CG2-CB 3.95Å; V52-R69 HydrophobicContact CG2-CG 4.3Å
53V92.8Very high91.5Very high40 Ų4077 Ų7724%0.24238%0.384CS..EExtended strand (participates in β ladder)trans-114.6131.8-177.4-176.60000109T42 K44 E51T42-V53 PolarHBondContact N-O 2.78Å; T42-V53 PolarHBondContact O-N 2.94Å; K44-V53 HydrophobicContact CD-CG2 3.88Å; K44-V53 HydrophobicContact CG-CG2 4.1Å; E51-V53 HydrophobicContact CG-CG2 4.03Å
54R92.9Very high91.5Very high51 Ų5177.1 Ų77.119%0.19239%0.386CS..  trans-96.4148.2175.568177.9177.9-125.9-2.3110.6M41 S56 D57 D61 H65M41-R54 HydrophobicContact CE-CB 4.05Å; M41-R54 HydrophobicContact SD-CB 4.06Å; R54-S56 WeakPolarHBondContact CD-O 3.47Å; R54-S56 WeakPolarHBondContact CG-O 3.41Å; R54-S56 PolarHBondContact NE-O 3.28Å; R54-D57 IonicContact CZ-OD1 2.84Å; R54-D57 IonicContact NE-OD1 2.84Å; R54-D57 PolarHBondContact NE-OD1 3.11Å; R54-D57 IonicContact NH2-OD1 3.21Å; R54-D57 PolarHBondContact NH2-OD1 2.75Å; R54-D61 HydrophobicContact CB-CB 4.39Å; R54-H65 HydrophobicContact CB-CB 4.07Å
55P92.7Very high91.6Very high79 Ų7972.1 Ų72.151%0.51337%0.365SS..SBendtrans-78.6-27.5-176.229.8-33.6000112.7R40R40-P55 HydrophobicContact CB-CG 4.45Å; R40-P55 VanDerWaalsContact O-CD 3.24Å; R40-P55 WeakPolarHBondContact O-CD 3.41Å; R40-P55 WeakPolarHBondContact O-CG 3.08Å
56S92.7Very high91.7Very high49 Ų4968.6 Ų68.634%0.34335%0.353SS..  trans-147.4173.2179890000112.5R54 S58 D61R54-S56 WeakPolarHBondContact CD-O 3.47Å; R54-S56 WeakPolarHBondContact CG-O 3.41Å; R54-S56 PolarHBondContact NE-O 3.28Å; S56-S58 VanDerWaalsContact C-N 3.32Å; S56-S58 WeakPolarHBondContact OG-CB 3.26Å; S56-S58 PolarHBondContact OG-N 3.14Å; S56-S58 VanDerWaalsContact OG-N 3.14Å; S56-S58 PolarHBondContact OG-OG 2.98Å; S56-D61 WeakPolarHBondContact CB-OD2 3.34Å; S56-D61 WeakPolarHBondContact O-CB 3.44Å; S56-D61 PolarHBondContact OG-OD2 3.34Å
57D89.9Confident91.9Very high117 Ų11765.4 Ų65.463%0.62634%0.344SS*.  trans-9215174.9-85-13000114.2R54 R62R54-D57 IonicContact CZ-OD1 2.84Å; R54-D57 IonicContact NE-OD1 2.84Å; R54-D57 PolarHBondContact NE-OD1 3.11Å; R54-D57 IonicContact NH2-OD1 3.21Å; R54-D57 PolarHBondContact NH2-OD1 2.75Å; D57-R62 VanDerWaalsContact O-CD 3.31Å; D57-R62 WeakPolarHBondContact O-CD 3Å
58S91.8Very high92.4Very high45 Ų4556.9 Ų56.932%0.31530%0.304SS..  trans-56.4151.617378.30000111.7S56 E60 D61 R62S56-S58 VanDerWaalsContact C-N 3.32Å; S56-S58 WeakPolarHBondContact OG-CB 3.26Å; S56-S58 PolarHBondContact OG-N 3.14Å; S56-S58 VanDerWaalsContact OG-N 3.14Å; S56-S58 PolarHBondContact OG-OG 2.98Å; S58-E60 PolarHBondContact O-N 3.2Å; S58-D61 PolarHBondContact O-N 2.85Å; S58-D61 WeakPolarHBondContact OG-CB 3.4Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 VanDerWaalsContact OG-N 3.14Å; S58-D61 PolarHBondContact OG-OD2 3.5Å; S58-R62 WeakPolarHBondContact O-CB 3.32Å; S58-R62 VanDerWaalsContact O-CG 3.22Å; S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.91Å
59K89.5Confident92.6Very high181 Ų18153.4 Ų53.479%0.78728%0.283SS*.Hα-helixtrans-57.4-38.5178.7-176.8-179176.8-174.50111.8T63K59-T63 PolarHBondContact O-N 3.12Å; K59-T63 VanDerWaalsContact O-N 3.12Å; K59-T63 PolarHBondContact O-OG1 2.89Å
60E90.3Very high92.7Very high110 Ų11053.3 Ų53.351%0.51429%0.286SS..Hα-helixtrans-64.6-53.5178.9-170.9-175.1-176.200111.2R40 S58 R62 T63 N64R40-E60 IonicContact NH1-OE1 3.92Å; R40-E60 IonicContact NH1-OE2 2.64Å; R40-E60 PolarHBondContact NH1-OE2 3.39Å; R40-E60 VanDerWaalsContact NH1-OE2 3.11Å; S58-E60 PolarHBondContact O-N 3.2Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 3.43Å; E60-T63 PolarHBondContact O-N 3.16Å; E60-N64 PolarHBondContact O-N 2.76Å
61D91.8Very high92.7Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-61-37.2179.6-71.8-37.1000111.8R40 M41 R54 S56 S58 T63 H65R40-D61 IonicContact CZ-OD1 3.77Å; R40-D61 IonicContact CZ-OD2 2.58Å; R40-D61 IonicContact NE-OD1 3.11Å; R40-D61 PolarHBondContact NE-OD1 3.19Å; R40-D61 IonicContact NH1-OD1 3.1Å; R40-D61 VanDerWaalsContact NH2-CG 3.28Å; R40-D61 IonicContact NH2-OD1 2.87Å; R40-D61 PolarHBondContact NH2-OD1 3.3Å; R40-D61 IonicContact NH2-OD2 3.44Å; R40-D61 PolarHBondContact NH2-OD2 2.87Å; M41-D61 HydrophobicContact CE-CB 4.42Å; R54-D61 HydrophobicContact CB-CB 4.39Å; S56-D61 WeakPolarHBondContact CB-OD2 3.34Å; S56-D61 WeakPolarHBondContact O-CB 3.44Å; S56-D61 PolarHBondContact OG-OD2 3.34Å; S58-D61 PolarHBondContact O-N 2.85Å; S58-D61 WeakPolarHBondContact OG-CB 3.4Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 VanDerWaalsContact OG-N 3.14Å; S58-D61 PolarHBondContact OG-OD2 3.5Å; D61-T63 VanDerWaalsContact C-N 3.33Å; D61-T63 PolarHBondContact O-N 3.4Å; D61-H65 WeakPolarHBondContact O-CB 3.31Å; D61-H65 PolarHBondContact O-N 2.7Å
62R91.2Very high92.7Very high83 Ų8350.6 Ų50.631%0.31327%0.274SS..Hα-helixtrans-65.1-36.5175.7-71.1177.365.1165.79113.1M1 D57 S58 E60 G66M1-R62 VanDerWaalsContact CB-NH2 3.28Å; M1-R62 VanDerWaalsContact CE-NH1 3.25Å; M1-R62 PolarHBondContact SD-NH2 3.22Å; D57-R62 VanDerWaalsContact O-CD 3.31Å; D57-R62 WeakPolarHBondContact O-CD 3Å; S58-R62 WeakPolarHBondContact O-CB 3.32Å; S58-R62 VanDerWaalsContact O-CG 3.22Å; S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.91Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 3.43Å; R62-G66 PolarHBondContact O-N 3.27Å
63T89.8Confident92.9Very high81 Ų8152.2 Ų52.250%0.49728%0.282SS..Hα-helixtrans-72.4-48.9179.1-55.20000109.8K59 E60 D61 H65 G66 T67K59-T63 PolarHBondContact O-N 3.12Å; K59-T63 VanDerWaalsContact O-N 3.12Å; K59-T63 PolarHBondContact O-OG1 2.89Å; E60-T63 PolarHBondContact O-N 3.16Å; D61-T63 VanDerWaalsContact C-N 3.33Å; D61-T63 PolarHBondContact O-N 3.4Å; T63-H65 VanDerWaalsContact C-N 3.32Å; T63-H65 PolarHBondContact O-N 3.37Å; T63-G66 PolarHBondContact O-N 2.94Å; T63-T67 PolarHBondContact O-N 3.18Å; T63-T67 VanDerWaalsContact O-N 3.16Å; T63-T67 PolarHBondContact O-OG1 2.88Å
64N92.6Very high93.1Very high36 Ų3651.7 Ų51.719%0.19328%0.278CS..Hα-helixtrans-63.7-36.2178.6-70.2-22.9000112.5N38 M41 E60 T67 T68N38-N64 PolarHBondContact ND2-ND2 2.94Å; M41-N64 HydrophobicContact CE-CB 4.33Å; E60-N64 PolarHBondContact O-N 2.76Å; N64-T67 PolarHBondContact O-N 3Å; N64-T68 VanDerWaalsContact O-CB 3.23Å; N64-T68 WeakPolarHBondContact O-CB 3.23Å; N64-T68 PolarHBondContact O-N 2.87Å; N64-T68 PolarHBondContact O-OG1 3.14Å
65H93.7Very high93.2Very high8 Ų850 Ų504%0.03727%0.272CS..Hα-helixtrans-60.1-49.7175-179.6-176.1000111.5G5 M41 V52 R54 D61 T63 T67 T68 R69G5-H65 VanDerWaalsContact C-CE1 3.5Å; G5-H65 WeakPolarHBondContact CA-NE2 3.37Å; G5-H65 PolarHBondContact O-NE2 2.81Å; M41-H65 WeakPolarHBondContact SD-CA 3.29Å; M41-H65 HydrophobicContact SD-CB 3.7Å; V52-H65 PolarHBondContact O-CE1 2.98Å; V52-H65 PolarHBondContact O-NE2 2.97Å; R54-H65 HydrophobicContact CB-CB 4.07Å; D61-H65 WeakPolarHBondContact O-CB 3.31Å; D61-H65 PolarHBondContact O-N 2.7Å; T63-H65 VanDerWaalsContact C-N 3.32Å; T63-H65 PolarHBondContact O-N 3.37Å; H65-T67 VanDerWaalsContact C-N 3.35Å; H65-T67 PolarHBondContact O-N 3.18Å; H65-T68 PolarHBondContact O-N 2.98Å; H65-R69 WeakPolarHBondContact O-CB 3.35Å; H65-R69 PolarHBondContact O-N 2.69Å
66G93Very high93.4Very high19 Ų1946.4 Ų46.420%0.19625%0.249CC..Hα-helixtrans-59.2-45.2178.200000112.6R62 T63 A70R62-G66 PolarHBondContact O-N 3.27Å; T63-G66 PolarHBondContact O-N 2.94Å; G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.34Å; G66-A70 VanDerWaalsContact O-N 3.09Å
67T93.4Very high93.6Very high73 Ų7347.2 Ų47.245%0.44825%0.248SC..Hα-helixtrans-64.9-50.3178.7-56.60000111.5T63 N64 H65 R69 A70 L71T63-T67 PolarHBondContact O-N 3.18Å; T63-T67 VanDerWaalsContact O-N 3.16Å; T63-T67 PolarHBondContact O-OG1 2.88Å; N64-T67 PolarHBondContact O-N 3Å; H65-T67 VanDerWaalsContact C-N 3.35Å; H65-T67 PolarHBondContact O-N 3.18Å; T67-R69 PolarHBondContact O-N 3.03Å; T67-A70 WeakPolarHBondContact O-CB 3.4Å; T67-A70 PolarHBondContact O-N 3.34Å; T67-A70 VanDerWaalsContact O-N 3.08Å; T67-L71 HydrophobicContact CG2-CD1 3.88Å; T67-L71 HydrophobicContact CG2-CG 4.25Å; T67-L71 VanDerWaalsContact O-CG 3.27Å; T67-L71 WeakPolarHBondContact O-CG 3.36Å; T67-L71 PolarHBondContact O-N 3.4Å
68T94.5Very high93.9Very high4 Ų441.7 Ų41.73%0.02522%0.218CC..Hα-helixtrans-59.5-46.9-177.3-58.60000111.6L37 M41 F43 V52 N64 H65 A70 L71 L72L37-T68 HydrophobicContact CB-CG2 4.04Å; L37-T68 HydrophobicContact CD1-CG2 3.97Å; L37-T68 HydrophobicContact CD2-CG2 4.37Å; L37-T68 HydrophobicContact CG-CG2 4.36Å; M41-T68 HydrophobicContact CB-CG2 4.13Å; M41-T68 HydrophobicContact CG-CG2 4.05Å; F43-T68 HydrophobicContact CE1-CG2 3.67Å; F43-T68 HydrophobicContact CZ-CG2 3.64Å; V52-T68 HydrophobicContact CG1-CG2 4.19Å; N64-T68 VanDerWaalsContact O-CB 3.23Å; N64-T68 WeakPolarHBondContact O-CB 3.23Å; N64-T68 PolarHBondContact O-N 2.87Å; N64-T68 PolarHBondContact O-OG1 3.14Å; H65-T68 PolarHBondContact O-N 2.98Å; T68-A70 VanDerWaalsContact C-N 3.34Å; T68-A70 PolarHBondContact O-N 2.69Å; T68-L71 PolarHBondContact O-N 3.3Å; T68-L72 PolarHBondContact O-N 3.18Å
69R95.2Very high94.1Very high30 Ų3039.5 Ų39.511%0.11320%0.203CC..Hα-helixtrans-59.6-45.1174.2-176.4-84.2-179.9-153.4-9.9111.5V4 K7 I8 I9 V52 H65 T67 L71 N73V4-R69 WeakPolarHBondContact O-CD 3.3Å; V4-R69 PolarHBondContact O-NE 3.01Å; K7-R69 PolarHBondContact O-NE 3.27Å; I8-R69 PolarHBondContact O-NH2 3.01Å; I8-R69 VanDerWaalsContact O-NH2 3.12Å; I9-R69 HydrophobicContact CD1-CG 4.14Å; I9-R69 HydrophobicContact CG1-CG 4.24Å; V52-R69 HydrophobicContact CB-CB 4.28Å; V52-R69 HydrophobicContact CG2-CB 3.95Å; V52-R69 HydrophobicContact CG2-CG 4.3Å; H65-R69 WeakPolarHBondContact O-CB 3.35Å; H65-R69 PolarHBondContact O-N 2.69Å; T67-R69 PolarHBondContact O-N 3.03Å; R69-L71 VanDerWaalsContact C-N 3.35Å; R69-L71 PolarHBondContact O-N 3Å; R69-N73 PolarHBondContact NH1-OD1 3.38Å; R69-N73 PolarHBondContact NH2-OD1 2.88Å; R69-N73 VanDerWaalsContact NH2-OD1 3.11Å; R69-N73 VanDerWaalsContact O-CB 3.26Å; R69-N73 WeakPolarHBondContact O-CB 3.36Å; R69-N73 PolarHBondContact O-N 2.99Å
70A95.4Very high94.4Very high31 Ų3131.9 Ų31.926%0.25617%0.172SC..Hα-helixtrans-63.4-41.4-179.400000111.9G66 T67 T68 N74G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.34Å; G66-A70 VanDerWaalsContact O-N 3.09Å; T67-A70 WeakPolarHBondContact O-CB 3.4Å; T67-A70 PolarHBondContact O-N 3.34Å; T67-A70 VanDerWaalsContact O-N 3.08Å; T68-A70 VanDerWaalsContact C-N 3.34Å; T68-A70 PolarHBondContact O-N 2.69Å; A70-N74 WeakPolarHBondContact O-CB 3.47Å; A70-N74 PolarHBondContact O-N 3.27Å; A70-N74 PolarHBondContact O-ND2 3.28Å; A70-N74 PolarHBondContact O-OD1 3.49Å
71L95.5Very high94.6Very high23 Ų2332.3 Ų32.312%0.1217%0.174CC..Hα-helixtrans-63.2-50.5177.7-68.3173.2000111.6R35 L37 T67 T68 R69 N73 N74 M75 E139R35-L71 VanDerWaalsContact CZ-CD1 3.41Å; R35-L71 VanDerWaalsContact NH1-CD2 3.26Å; L37-L71 HydrophobicContact CD2-CB 4.13Å; L37-L71 HydrophobicContact CD2-CD1 4.31Å; T67-L71 HydrophobicContact CG2-CD1 3.88Å; T67-L71 HydrophobicContact CG2-CG 4.25Å; T67-L71 VanDerWaalsContact O-CG 3.27Å; T67-L71 WeakPolarHBondContact O-CG 3.36Å; T67-L71 PolarHBondContact O-N 3.4Å; T68-L71 PolarHBondContact O-N 3.3Å; R69-L71 VanDerWaalsContact C-N 3.35Å; R69-L71 PolarHBondContact O-N 3Å; L71-N73 PolarHBondContact O-N 3.38Å; L71-N74 WeakPolarHBondContact O-CB 3.38Å; L71-N74 PolarHBondContact O-N 2.84Å; L71-N74 VanDerWaalsContact O-N 3.08Å; L71-M75 WeakPolarHBondContact O-CG 3.31Å; L71-M75 PolarHBondContact O-N 3.17Å; L71-E139 WeakPolarHBondContact CD2-OE1 3.36Å
72L95.2Very high94.8Very high0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-60.5-45.2178.5-178.958.4000111.7I9 V17 F19 V24 V26 L37 F43 I50 T68 N74 M75 V76I9-L72 HydrophobicContact CD1-CB 3.84Å; I9-L72 HydrophobicContact CD1-CD2 3.76Å; I9-L72 HydrophobicContact CD1-CG 3.73Å; V17-L72 HydrophobicContact CG1-CD1 4.38Å; F19-L72 HydrophobicContact CE1-CD2 4.34Å; F19-L72 HydrophobicContact CZ-CD1 4.44Å; F19-L72 HydrophobicContact CZ-CD2 3.86Å; V24-L72 HydrophobicContact CG1-CD1 4.26Å; V24-L72 HydrophobicContact CG2-CD1 3.8Å; V26-L72 HydrophobicContact CG2-CD1 4.14Å; L37-L72 HydrophobicContact CD1-CB 4.34Å; F43-L72 HydrophobicContact CD1-CD2 4.2Å; F43-L72 HydrophobicContact CE1-CD2 4.3Å; I50-L72 HydrophobicContact CB-CD2 4.46Å; I50-L72 HydrophobicContact CD1-CD2 4.11Å; I50-L72 HydrophobicContact CG2-CD2 3.87Å; T68-L72 PolarHBondContact O-N 3.18Å; L72-N74 VanDerWaalsContact C-N 3.26Å; L72-N74 PolarHBondContact O-N 3.3Å; L72-M75 WeakPolarHBondContact O-CB 3.47Å; L72-M75 PolarHBondContact O-N 2.82Å; L72-M75 VanDerWaalsContact O-N 3.12Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.17Å
73N96.3Very high95.1Very high37 Ų3730.2 Ų30.220%0.19817%0.17CC..Hα-helixtrans-60.9-37.7175.5-173.3115000111.6I9 R69 L71 M75 Q77I9-N73 HydrophobicContact CD1-CB 3.99Å; I9-N73 HydrophobicContact CG1-CB 4.07Å; I9-N73 HydrophobicContact CG2-CB 4.42Å; R69-N73 PolarHBondContact NH1-OD1 3.38Å; R69-N73 PolarHBondContact NH2-OD1 2.88Å; R69-N73 VanDerWaalsContact NH2-OD1 3.11Å; R69-N73 VanDerWaalsContact O-CB 3.26Å; R69-N73 WeakPolarHBondContact O-CB 3.36Å; R69-N73 PolarHBondContact O-N 2.99Å; L71-N73 PolarHBondContact O-N 3.38Å; N73-M75 VanDerWaalsContact C-N 3.33Å; N73-Q77 WeakPolarHBondContact O-CB 3.35Å; N73-Q77 PolarHBondContact O-N 2.86Å
74N97Very high95.4Very high29 Ų2929.9 Ų29.916%0.15517%0.168CC..Hα-helixtrans-67.9-35.6177.5-66.2-34.4000111.4A70 L71 L72 G78 Y83 K138A70-N74 WeakPolarHBondContact O-CB 3.47Å; A70-N74 PolarHBondContact O-N 3.27Å; A70-N74 PolarHBondContact O-ND2 3.28Å; A70-N74 PolarHBondContact O-OD1 3.49Å; L71-N74 WeakPolarHBondContact O-CB 3.38Å; L71-N74 PolarHBondContact O-N 2.84Å; L71-N74 VanDerWaalsContact O-N 3.08Å; L72-N74 VanDerWaalsContact C-N 3.26Å; L72-N74 PolarHBondContact O-N 3.3Å; N74-G78 WeakPolarHBondContact O-CA 3.5Å; N74-G78 PolarHBondContact O-N 2.76Å; N74-Y83 WeakPolarHBondContact CA-OH 3.36Å; N74-Y83 WeakPolarHBondContact O-CE2 3.5Å; N74-Y83 PolarHBondContact O-OH 3.16Å; N74-K138 HydrophobicContact CB-CB 4.39Å; N74-K138 HydrophobicContact CB-CD 4.23Å; N74-K138 WeakPolarHBondContact OD1-CD 3.13Å; N74-K138 PolarHBondContact OD1-NZ 2.93Å; N74-K138 VanDerWaalsContact OD1-NZ 3.1Å
75M97Very high95.7Very high14 Ų1432.9 Ų32.97%0.06918%0.179CC..Hα-helixtrans-65-48.1175.5-65.9170.975.100111.2V24 V26 L33 R35 L71 L72 N73 G78 V79V24-M75 HydrophobicContact CG1-CE 3.93Å; V24-M75 HydrophobicContact CG1-SD 3.93Å; V26-M75 HydrophobicContact CB-CB 4.24Å; V26-M75 HydrophobicContact CB-CE 4.48Å; V26-M75 HydrophobicContact CG2-CB 3.9Å; V26-M75 HydrophobicContact CG2-CE 4Å; L33-M75 HydrophobicContact CB-CE 3.74Å; L33-M75 HydrophobicContact CB-CG 4.43Å; L33-M75 HydrophobicContact CD1-CB 4.29Å; L33-M75 HydrophobicContact CD1-CG 4.27Å; L33-M75 VanDerWaalsContact O-CE 3.26Å; L33-M75 WeakPolarHBondContact O-CE 3.31Å; R35-M75 HydrophobicContact CB-CE 3.91Å; R35-M75 HydrophobicContact CB-SD 3.97Å; L71-M75 WeakPolarHBondContact O-CG 3.31Å; L71-M75 PolarHBondContact O-N 3.17Å; L72-M75 WeakPolarHBondContact O-CB 3.47Å; L72-M75 PolarHBondContact O-N 2.82Å; L72-M75 VanDerWaalsContact O-N 3.12Å; N73-M75 VanDerWaalsContact C-N 3.33Å; M75-G78 PolarHBondContact O-N 2.93Å; M75-V79 PolarHBondContact O-N 2.84Å
76V96.5Very high95.9Very high5 Ų533.7 Ų33.73%0.0318%0.184CC..Hα-helixtrans-59-51177.9172.60000111.6I9 P12 V15 V17 V26 L72 G78 V79 S80I9-V76 HydrophobicContact CG2-CB 4.5Å; I9-V76 HydrophobicContact CG2-CG2 4.29Å; P12-V76 HydrophobicContact CG-CG1 4.42Å; V15-V76 HydrophobicContact CG1-CG1 4.27Å; V17-V76 HydrophobicContact CG2-CG2 3.94Å; V26-V76 HydrophobicContact CG1-CG2 4.05Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.17Å; V76-G78 VanDerWaalsContact C-N 3.27Å; V76-G78 PolarHBondContact O-N 2.82Å; V76-V79 WeakPolarHBondContact O-CG2 3.35Å; V76-S80 PolarHBondContact O-N 3.02Å
77Q96.3Very high96.1Very high66 Ų6632.8 Ų32.831%0.30818%0.175SC..Hα-helixtrans-63.3-37176.8-177.8-178.914.500111.5N73 S80 Q81 G82 Y83N73-Q77 WeakPolarHBondContact O-CB 3.35Å; N73-Q77 PolarHBondContact O-N 2.86Å; Q77-S80 PolarHBondContact O-N 2.9Å; Q77-Q81 HydrophobicContact CG-CB 4.41Å; Q77-Q81 PolarHBondContact O-N 3.29Å; Q77-G82 PolarHBondContact O-N 3.37Å; Q77-Y83 HydrophobicContact CG-CE1 4.43Å; Q77-Y83 PolarHBondContact OE1-OH 3.39Å
78G96.2Very high96.3Very high0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-59.8-48.6178.900000113.8N74 M75 V76 G82 I136N74-G78 WeakPolarHBondContact O-CA 3.5Å; N74-G78 PolarHBondContact O-N 2.76Å; M75-G78 PolarHBondContact O-N 2.93Å; V76-G78 VanDerWaalsContact C-N 3.27Å; V76-G78 PolarHBondContact O-N 2.82Å; G78-G82 WeakPolarHBondContact O-CA 3.16Å; G78-G82 PolarHBondContact O-N 2.73Å; G78-I136 WeakPolarHBondContact CA-O 3.5Å; G78-I136 WeakPolarHBondContact O-CG2 3.33Å
79V96.3Very high96.4Very high0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-77.4-22-178.8-59.60000113.9V15 V26 P29 K30 G31 L33 M75 V76V15-V79 HydrophobicContact CG1-CG2 3.84Å; V15-V79 HydrophobicContact CG2-CG2 3.91Å; V26-V79 HydrophobicContact CG1-CG1 4.43Å; V26-V79 HydrophobicContact CG1-CG2 3.61Å; P29-V79 WeakPolarHBondContact CD-O 3.49Å; K30-V79 VanDerWaalsContact CB-O 3.31Å; K30-V79 WeakPolarHBondContact CB-O 3.39Å; K30-V79 PolarHBondContact N-O 3.4Å; G31-V79 WeakPolarHBondContact O-CG1 3.15Å; L33-V79 HydrophobicContact CB-CG1 4.4Å; L33-V79 HydrophobicContact CD1-CG1 4.2Å; L33-V79 HydrophobicContact CG-CG1 4.14Å; M75-V79 PolarHBondContact O-N 2.84Å; V76-V79 WeakPolarHBondContact O-CG2 3.35Å
80S94.9Very high96.4Very high20 Ų2031.9 Ų31.914%0.1417%0.17CC..Hα-helixtrans-85.6-60.1176.1177.60000111.2V76 Q77V76-S80 PolarHBondContact O-N 3.02Å; Q77-S80 PolarHBondContact O-N 2.9Å
81Q95Very high96.3Very high120 Ų12031.7 Ų31.756%0.56117%0.171SC*.THydrogen-bonded Turntrans-102.7-26.4-171.6-61.7173.415.800113.1K30 Q77K30-Q81 WeakPolarHBondContact CE-O 3.5Å; K30-Q81 PolarHBondContact NZ-O 3.36Å; Q77-Q81 HydrophobicContact CG-CB 4.41Å; Q77-Q81 PolarHBondContact O-N 3.29Å
82G95.5Very high96.2Very high12 Ų1236.7 Ų36.712%0.12420%0.202CC..  trans72.2176.5-170.300000113.1Q77 G78Q77-G82 PolarHBondContact O-N 3.37Å; G78-G82 WeakPolarHBondContact O-CA 3.16Å; G78-G82 PolarHBondContact O-N 2.73Å
83Y97.8Very high96.1Very high27 Ų2739.7 Ų39.711%0.10623%0.233CC..EExtended strand (participates in β ladder)trans-120.8142.6176.7-68.6-71.9000110.2N74 Q77 E134 G135 I136 K138N74-Y83 WeakPolarHBondContact CA-OH 3.36Å; N74-Y83 WeakPolarHBondContact O-CE2 3.5Å; N74-Y83 PolarHBondContact O-OH 3.16Å; Q77-Y83 HydrophobicContact CG-CE1 4.43Å; Q77-Y83 PolarHBondContact OE1-OH 3.39Å; Y83-E134 VanDerWaalsContact O-CA 3.29Å; Y83-E134 WeakPolarHBondContact O-CA 3.47Å; Y83-G135 PolarHBondContact N-O 2.84Å; Y83-G135 PolarHBondContact O-N 3.22Å; Y83-I136 WeakPolarHBondContact CD2-O 3.45Å; Y83-K138 HydrophobicContact CD1-CB 4.31Å; Y83-K138 HydrophobicContact CD1-CG 4.08Å; Y83-K138 HydrophobicContact CD2-CB 3.72Å; Y83-K138 HydrophobicContact CD2-CG 4.37Å; Y83-K138 HydrophobicContact CE1-CB 4.2Å; Y83-K138 HydrophobicContact CE1-CD 3.98Å; Y83-K138 HydrophobicContact CE1-CG 4.01Å; Y83-K138 HydrophobicContact CE2-CB 3.56Å; Y83-K138 HydrophobicContact CE2-CG 4.28Å; Y83-K138 HydrophobicContact CG-CB 4.09Å; Y83-K138 HydrophobicContact CG-CG 4.26Å
84V97.1Very high96.2Very high73 Ų7339.2 Ų39.244%0.44223%0.229SC..EExtended strand (participates in β ladder)trans-129.9133.1175.7-176.50000109.2V86 K132 V133 E134V84-V86 HydrophobicContact CG1-CG2 4.16Å; V84-K132 HydrophobicContact CG1-CB 4.29Å; V84-K132 HydrophobicContact CG1-CD 4.39Å; V84-K132 HydrophobicContact CG1-CG 4.47Å; V84-V133 CarbonylContact C-O 3.49Å; V84-V133 WeakPolarHBondContact CA-O 3.32Å; V84-E134 HydrophobicContact CB-CG 4.47Å; V84-E134 HydrophobicContact CG1-CG 4.1Å; V84-E134 HydrophobicContact CG2-CB 4.44Å; V84-E134 HydrophobicContact CG2-CG 3.91Å
85K97.5Very high96.1Very high99 Ų9943.7 Ų43.743%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-120.1126.3166.6-73.4-67.9-176.2-179.60109.3K132 V133 V141 A145K85-K132 WeakPolarHBondContact O-CA 3.37Å; K85-V133 HydrophobicContact CB-CB 4.48Å; K85-V133 PolarHBondContact N-O 2.83Å; K85-V133 PolarHBondContact O-N 3.45Å; K85-V141 HydrophobicContact CB-CG1 4.05Å; K85-V141 HydrophobicContact CG-CG1 3.7Å; K85-A145 HydrophobicContact CB-CB 3.72Å; K85-A145 HydrophobicContact CG-CB 4.13Å
86V97.9Very high96.2Very high25 Ų2543.1 Ų43.115%0.15224%0.241CC..EExtended strand (participates in β ladder)trans-103128.3179.6-1680000109.1V84 V130 V131 K132 Q165V84-V86 HydrophobicContact CG1-CG2 4.16Å; V86-V130 HydrophobicContact CG1-CG1 3.69Å; V86-V131 WeakPolarHBondContact CA-O 3.16Å; V86-K132 HydrophobicContact CG1-CG 4.33Å; V86-K132 HydrophobicContact CG2-CG 4.17Å; V86-Q165 HydrophobicContact CB-CB 3.88Å; V86-Q165 HydrophobicContact CG1-CB 4.03Å; V86-Q165 PolarHBondContact O-N 3.12Å
87L97.8Very high96.2Very high0 Ų046.9 Ų46.90%026%0.258CS..EExtended strand (participates in β ladder)trans-118.1139.2177.5-67.4161.3000109.4V130 V131 V133 A145 I148 R149 I162 R163 Y164L87-V130 WeakPolarHBondContact O-CA 3.43Å; L87-V131 HydrophobicContact CB-CB 4.45Å; L87-V131 PolarHBondContact N-O 3.09Å; L87-V131 PolarHBondContact O-N 3.08Å; L87-V133 HydrophobicContact CD1-CG2 4.28Å; L87-A145 HydrophobicContact CD1-CB 4.13Å; L87-I148 HydrophobicContact CD1-CB 3.65Å; L87-I148 HydrophobicContact CD1-CD1 4.03Å; L87-I148 HydrophobicContact CD1-CG1 4.45Å; L87-I148 HydrophobicContact CD1-CG2 3.5Å; L87-R149 HydrophobicContact CD2-CB 4.21Å; L87-I162 HydrophobicContact CB-CG2 4.13Å; L87-I162 HydrophobicContact CD2-CG2 4.2Å; L87-R163 CarbonylContact C-O 3.36Å; L87-R163 VanDerWaalsContact CA-O 3.26Å; L87-R163 WeakPolarHBondContact CA-O 3.47Å; L87-Y164 HydrophobicContact CD2-CD1 3.45Å; L87-Y164 VanDerWaalsContact CD2-CD1 3.45Å; L87-Y164 HydrophobicContact CD2-CE1 3.67Å; L87-Y164 HydrophobicContact CD2-CG 4.03Å; L87-Y164 HydrophobicContact CG-CD1 4.32Å
88E97.5Very high96.2Very high40 Ų4047 Ų4719%0.18726%0.26CS..EExtended strand (participates in β ladder)trans-112.9132.7177.6-63.8-178.5167.100110.1T129 I162 R163 Q165E88-T129 CarbonylContact C-O 3.57Å; E88-T129 WeakPolarHBondContact CA-O 3.4Å; E88-I162 WeakPolarHBondContact O-CA 3.41Å; E88-R163 HydrophobicContact CB-CG 4.18Å; E88-R163 PolarHBondContact N-O 2.77Å; E88-R163 PolarHBondContact O-N 3.47Å; E88-R163 IonicContact OE2-CZ 3.88Å; E88-R163 IonicContact OE2-NE 2.69Å; E88-R163 PolarHBondContact OE2-NE 3.06Å; E88-R163 IonicContact OE2-NH2 3.41Å; E88-R163 PolarHBondContact OE2-NH2 2.95Å; E88-Q165 HydrophobicContact CG-CB 4.35Å
89L97.1Very high96.1Very high8 Ų852.6 Ų52.64%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-94.2123.1172.4-73.567.9000108.7A96 L105 V107 T129 V131 I162L89-A96 HydrophobicContact CD1-CB 4.44Å; L89-A96 HydrophobicContact CD2-CB 4.09Å; L89-L105 HydrophobicContact CD2-CD2 4.32Å; L89-V107 HydrophobicContact CD2-CG1 3.9Å; L89-V107 HydrophobicContact CG-CG1 4.41Å; L89-T129 PolarHBondContact N-O 3.45Å; L89-T129 WeakPolarHBondContact O-CB 3.47Å; L89-V131 HydrophobicContact CD1-CG2 3.82Å; L89-I162 HydrophobicContact CG-CG1 4.23Å
90V95.3Very high95.9Very high40 Ų4056.1 Ų56.124%0.24232%0.322CS..EExtended strand (participates in β ladder)trans-118113.2177.8-178.10000108.6Y94 K160 G161V90-Y94 VanDerWaalsContact O-CD2 3.31Å; V90-Y94 WeakPolarHBondContact O-CD2 3.29Å; V90-Y94 WeakPolarHBondContact O-CE2 3.37Å; V90-K160 CarbonylContact O-C 3.57Å; V90-K160 WeakPolarHBondContact O-CA 3.2Å; V90-K160 WeakPolarHBondContact O-CB 3.33Å; V90-G161 PolarHBondContact N-O 3.03Å; V90-G161 PolarHBondContact O-N 3Å
91G93.4Very high95.9Very high27 Ų2763.3 Ų63.328%0.27835%0.35SS..SBendtrans165158.4179.600000112.3Y94G91-Y94 PolarHBondContact O-N 3.16Å
92V93.1Very high95.9Very high129 Ų12959.5 Ų59.578%0.78233%0.334SS*.THydrogen-bonded Turntrans-76127.1176.1179.80000108.2Y94V92-Y94 PolarHBondContact O-N 3.03Å
93G93.3Very high96Very high63 Ų6358.9 Ų58.965%0.64933%0.328SS*.THydrogen-bonded Turntrans724.2-17600000114.4R95G93-R95 PolarHBondContact O-N 3.12Å
94Y96.8Very high96Very high26 Ų2657.9 Ų57.910%0.10232%0.324CS..  trans-73.7125.4179.3-78.221.6000109.5V90 G91 V92 N106 V107 R152V90-Y94 VanDerWaalsContact O-CD2 3.31Å; V90-Y94 WeakPolarHBondContact O-CD2 3.29Å; V90-Y94 WeakPolarHBondContact O-CE2 3.37Å; G91-Y94 PolarHBondContact O-N 3.16Å; V92-Y94 PolarHBondContact O-N 3.03Å; Y94-N106 CarbonylContact C-O 3.55Å; Y94-N106 WeakPolarHBondContact CA-O 3.46Å; Y94-V107 HydrophobicContact CD2-CB 4.13Å; Y94-V107 HydrophobicContact CD2-CG1 4.05Å; Y94-V107 HydrophobicContact CE1-CB 4.42Å; Y94-V107 VanDerWaalsContact CE1-O 3.23Å; Y94-V107 WeakPolarHBondContact CE1-O 3.36Å; Y94-V107 HydrophobicContact CE2-CB 4.05Å; Y94-V107 HydrophobicContact CE2-CG1 4.41Å; Y94-V107 HydrophobicContact CG-CB 4.36Å; Y94-V107 HydrophobicContact CG-CG1 4.27Å; Y94-V107 VanDerWaalsContact CZ-C 3.45Å; Y94-V107 PolarHBondContact OH-O 2.76Å; Y94-R152 HydrophobicContact CE2-CG 4.24Å; Y94-R152 PolarHBondContact OH-NE 3.49Å
95R96.7Very high96Very high124 Ų12454.4 Ų54.447%0.46830%0.303SS..EExtended strand (participates in β ladder)trans-151.9146178.359.9-179.1-177.9177.41.3112.4G93 N106 N128G93-R95 PolarHBondContact O-N 3.12Å; R95-N106 HydrophobicContact CG-CB 3.84Å; R95-N106 PolarHBondContact N-O 2.92Å; R95-N106 PolarHBondContact O-N 2.97Å; R95-N128 CarbonylContact C-O 3.45Å; R95-N128 WeakPolarHBondContact CA-O 3.28Å; R95-N128 HydrophobicContact CB-CB 4.08Å
96A97.5Very high96Very high1 Ų151.3 Ų51.31%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-105.4147.6167.300000109.1L89 L103 I104 L105 V125 N128 V131L89-A96 HydrophobicContact CD1-CB 4.44Å; L89-A96 HydrophobicContact CD2-CB 4.09Å; A96-L103 HydrophobicContact CB-CD1 4.11Å; A96-I104 CarbonylContact C-O 3.33Å; A96-I104 VanDerWaalsContact CA-O 3.29Å; A96-I104 WeakPolarHBondContact CA-O 3.32Å; A96-L105 HydrophobicContact CB-CD2 3.76Å; A96-V125 HydrophobicContact CB-CG1 4.3Å; A96-V125 HydrophobicContact CB-CG2 4.1Å; A96-N128 PolarHBondContact N-O 3.04Å; A96-V131 HydrophobicContact CB-CG2 3.27Å
97Q96.2Very high95.9Very high84 Ų8450.2 Ų50.239%0.39329%0.285SS..EExtended strand (participates in β ladder)trans-146.1149.617365.2-172.214.600109.3I104Q97-I104 HydrophobicContact CG-CB 3.69Å; Q97-I104 HydrophobicContact CG-CG1 4.45Å; Q97-I104 HydrophobicContact CG-CG2 4.14Å; Q97-I104 PolarHBondContact N-O 3.03Å; Q97-I104 PolarHBondContact O-N 3.34Å
98M96.8Very high95.7Very high70 Ų7053.3 Ų53.335%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-82.9137.2173.3-67.1-58.7-61.100109.9K101 L103 F123 V125M98-K101 WeakPolarHBondContact CE-O 3.49Å; M98-L103 HydrophobicContact SD-CD1 4.17Å; M98-F123 HydrophobicContact CE-CB 3.81Å; M98-F123 WeakPolarHBondContact CE-O 3.33Å; M98-F123 HydrophobicContact SD-CB 3.65Å; M98-V125 HydrophobicContact CG-CB 4.38Å; M98-V125 HydrophobicContact CG-CG2 3.9Å; M98-V125 HydrophobicContact SD-CG2 3.97Å
99Q93.9Very high95.5Very high117 Ų11756.2 Ų56.255%0.54733%0.327SS..EExtended strand (participates in β ladder)trans-122.892.8168.1-176.4170.86.400108.3K101 D102 I104Q99-K101 PolarHBondContact O-N 2.93Å; Q99-K101 VanDerWaalsContact O-N 3.11Å; Q99-D102 PolarHBondContact N-O 3.08Å; Q99-D102 PolarHBondContact O-N 3.48Å; Q99-I104 HydrophobicContact CB-CD1 4.3Å; Q99-I104 HydrophobicContact CB-CG1 3.68Å; Q99-I104 VanDerWaalsContact OE1-CD1 3.27Å
100G93.3Very high95.4Very high74 Ų7461.8 Ų61.876%0.76337%0.367SS*.THydrogen-bonded Turntrans62.4-113.6-168.300000110.2
101K94.3Very high95.4Very high170 Ų17065.4 Ų65.474%0.73938%0.381SS*.THydrogen-bonded Turntrans-92.2-19.2175.4-65-177.7-179.7-177.20113.2M98 Q99 A117M98-K101 WeakPolarHBondContact CE-O 3.49Å; Q99-K101 PolarHBondContact O-N 2.93Å; Q99-K101 VanDerWaalsContact O-N 3.11Å; K101-A117 HydrophobicContact CB-CB 4.1Å; K101-A117 WeakPolarHBondContact O-CB 3.4Å
102D96Very high95.5Very high40 Ų4067.4 Ų67.421%0.21439%0.389CS..EExtended strand (participates in β ladder)trans-87.3156.1-172.5-60-29000111.3Q99 E114 K116 A117Q99-D102 PolarHBondContact N-O 3.08Å; Q99-D102 PolarHBondContact O-N 3.48Å; D102-E114 HydrophobicContact CB-CG 4.47Å; D102-K116 VanDerWaalsContact OD1-CA 3.29Å; D102-K116 WeakPolarHBondContact OD1-CA 3.09Å; D102-A117 PolarHBondContact OD1-N 3.1Å
103L97Very high95.7Very high0 Ų062.8 Ų62.80%036%0.361CS..EExtended strand (participates in β ladder)trans-105.5123.6-178.6178.871.3000110.2A96 M98 L105 I115 F123 V125 V131 I148A96-L103 HydrophobicContact CB-CD1 4.11Å; M98-L103 HydrophobicContact SD-CD1 4.17Å; L103-L105 HydrophobicContact CD2-CD2 4.04Å; L103-L105 HydrophobicContact CD2-CG 4.36Å; L103-L105 HydrophobicContact CG-CD2 4.11Å; L103-L105 HydrophobicContact CG-CG 4.34Å; L103-I115 HydrophobicContact CB-CB 4.34Å; L103-I115 PolarHBondContact N-O 3.02Å; L103-I115 PolarHBondContact O-N 3.22Å; L103-F123 HydrophobicContact CB-CB 4.4Å; L103-F123 HydrophobicContact CB-CD2 3.69Å; L103-F123 HydrophobicContact CB-CE2 3.97Å; L103-F123 HydrophobicContact CB-CG 4.01Å; L103-F123 HydrophobicContact CD2-CD1 4.41Å; L103-V125 HydrophobicContact CD1-CG2 3.76Å; L103-V131 HydrophobicContact CD1-CG1 4.07Å; L103-V131 HydrophobicContact CD1-CG2 4.16Å; L103-V131 HydrophobicContact CD2-CG1 3.65Å; L103-V131 HydrophobicContact CD2-CG2 4.42Å; L103-I148 HydrophobicContact CD2-CD1 4.02Å; L103-I148 HydrophobicContact CD2-CG1 4.27Å
104I97.5Very high95.9Very high6 Ų664.5 Ų64.53%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-105.2125.9175.9-54.9-59.6000110A96 Q97 Q99 P112 E114A96-I104 CarbonylContact C-O 3.33Å; A96-I104 VanDerWaalsContact CA-O 3.29Å; A96-I104 WeakPolarHBondContact CA-O 3.32Å; Q97-I104 HydrophobicContact CG-CB 3.69Å; Q97-I104 HydrophobicContact CG-CG1 4.45Å; Q97-I104 HydrophobicContact CG-CG2 4.14Å; Q97-I104 PolarHBondContact N-O 3.03Å; Q97-I104 PolarHBondContact O-N 3.34Å; Q99-I104 HydrophobicContact CB-CD1 4.3Å; Q99-I104 HydrophobicContact CB-CG1 3.68Å; Q99-I104 VanDerWaalsContact OE1-CD1 3.27Å; I104-P112 HydrophobicContact CG2-CB 3.62Å; I104-E114 HydrophobicContact CD1-CB 3.57Å; I104-E114 HydrophobicContact CD1-CG 3.56Å
105L97.6Very high95.9Very high0 Ų064.1 Ų64.10%035%0.352CS..EExtended strand (participates in β ladder)trans-112.5123.1-179.5-60.9175.3000111L89 A96 L103 V107 P112 V113 I115 I148 V151 I162L89-L105 HydrophobicContact CD2-CD2 4.32Å; A96-L105 HydrophobicContact CB-CD2 3.76Å; L103-L105 HydrophobicContact CD2-CD2 4.04Å; L103-L105 HydrophobicContact CD2-CG 4.36Å; L103-L105 HydrophobicContact CG-CD2 4.11Å; L103-L105 HydrophobicContact CG-CG 4.34Å; L105-V107 HydrophobicContact CB-CG1 4.34Å; L105-P112 WeakPolarHBondContact O-CA 3.29Å; L105-V113 HydrophobicContact CB-CB 4.38Å; L105-V113 PolarHBondContact N-O 2.93Å; L105-V113 PolarHBondContact O-N 2.89Å; L105-I115 HydrophobicContact CD1-CD1 3.5Å; L105-I115 VanDerWaalsContact CD1-CD1 3.5Å; L105-I115 HydrophobicContact CD1-CG1 4.38Å; L105-I115 HydrophobicContact CG-CD1 4.41Å; L105-I148 HydrophobicContact CD1-CG2 4.01Å; L105-V151 HydrophobicContact CD1-CB 4.45Å; L105-V151 HydrophobicContact CD1-CG1 4.41Å; L105-V151 HydrophobicContact CD1-CG2 4.3Å; L105-I162 HydrophobicContact CD1-CD1 4.05Å
106N97.2Very high95.8Very high34 Ų3465.1 Ų65.118%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-105.399.6167.4-64-90000107.2Y94 R95Y94-N106 CarbonylContact C-O 3.55Å; Y94-N106 WeakPolarHBondContact CA-O 3.46Å; R95-N106 HydrophobicContact CG-CB 3.84Å; R95-N106 PolarHBondContact N-O 2.92Å; R95-N106 PolarHBondContact O-N 2.97Å
107V96.1Very high95.4Very high1 Ų166.4 Ų66.41%0.00637%0.37CS..SBendtrans-127.737.9-173.3-680000112.5L89 Y94 L105 Y109 V151 R152 I162L89-V107 HydrophobicContact CD2-CG1 3.9Å; L89-V107 HydrophobicContact CG-CG1 4.41Å; Y94-V107 HydrophobicContact CD2-CB 4.13Å; Y94-V107 HydrophobicContact CD2-CG1 4.05Å; Y94-V107 HydrophobicContact CE1-CB 4.42Å; Y94-V107 VanDerWaalsContact CE1-O 3.23Å; Y94-V107 WeakPolarHBondContact CE1-O 3.36Å; Y94-V107 HydrophobicContact CE2-CB 4.05Å; Y94-V107 HydrophobicContact CE2-CG1 4.41Å; Y94-V107 HydrophobicContact CG-CB 4.36Å; Y94-V107 HydrophobicContact CG-CG1 4.27Å; Y94-V107 VanDerWaalsContact CZ-C 3.45Å; Y94-V107 PolarHBondContact OH-O 2.76Å; L105-V107 HydrophobicContact CB-CG1 4.34Å; V107-Y109 VanDerWaalsContact C-N 3.35Å; V107-Y109 HydrophobicContact CG2-CD2 3.79Å; V107-Y109 HydrophobicContact CG2-CE2 3.92Å; V107-V151 HydrophobicContact CG2-CG1 3.91Å; V107-R152 HydrophobicContact CB-CB 4.12Å; V107-R152 HydrophobicContact CB-CG 4.38Å; V107-R152 HydrophobicContact CG2-CB 3.87Å; V107-R152 HydrophobicContact CG2-CG 4.48Å; V107-I162 HydrophobicContact CG1-CD1 4.13Å; V107-I162 HydrophobicContact CG1-CG1 4.18Å
108G92.9Very high95.1Very high66 Ų6666.9 Ų66.968%0.6837%0.372SS*.SBendtrans81.88.2174.800000115.2
109Y93.8Very high94.7Very high100 Ų10071 Ų7139%0.39239%0.391SS..SBendtrans-74.8159.6162.5-66.3-60.4000110.4V107 H111 V113 V151 R152V107-Y109 VanDerWaalsContact C-N 3.35Å; V107-Y109 HydrophobicContact CG2-CD2 3.79Å; V107-Y109 HydrophobicContact CG2-CE2 3.92Å; Y109-H111 WeakPolarHBondContact CB-O 3.45Å; Y109-H111 PolarHBondContact O-N 2.86Å; Y109-V113 HydrophobicContact CD2-CG2 3.9Å; Y109-V151 HydrophobicContact CE2-CG1 4.04Å; Y109-V151 WeakPolarHBondContact CE2-O 3.47Å; Y109-V151 PolarHBondContact OH-O 2.99Å; Y109-R152 HydrophobicContact CE2-CB 4.48Å
110S94.7Very high94.3Very high126 Ų12669.2 Ų69.288%0.88139%0.385SS*.SBendtrans-66.8-19.617850.70000113.3
111H94.7Very high94.3Very high115 Ų11566.2 Ų66.253%0.53235%0.351SS..SBendtrans-129.4156.317562.780.2000110.4Y109Y109-H111 WeakPolarHBondContact CB-O 3.45Å; Y109-H111 PolarHBondContact O-N 2.86Å
112P96.2Very high94.4Very high69 Ų6962.2 Ų62.245%0.44834%0.341SS..  trans-62149.6168.8-18.131000111.3I104 L105I104-P112 HydrophobicContact CG2-CB 3.62Å; L105-P112 WeakPolarHBondContact O-CA 3.29Å
113V97.3Very high94.4Very high32 Ų3260.7 Ų60.719%0.19433%0.332CS..EExtended strand (participates in β ladder)trans-105.1120.7171.9179.50000108.2L105 Y109 V151L105-V113 HydrophobicContact CB-CB 4.38Å; L105-V113 PolarHBondContact N-O 2.93Å; L105-V113 PolarHBondContact O-N 2.89Å; Y109-V113 HydrophobicContact CD2-CG2 3.9Å; V113-V151 HydrophobicContact CB-CG1 4.09Å; V113-V151 HydrophobicContact CG1-CG1 3.93Å; V113-V151 HydrophobicContact CG1-CG2 4.14Å; V113-V151 HydrophobicContact CG2-CG1 3.95Å
114E97Very high94.4Very high99 Ų9962.4 Ų62.446%0.46334%0.344SS..EExtended strand (participates in β ladder)trans-94.4132.7177.1-179.8-177.2151.700110.5D102 I104 K116D102-E114 HydrophobicContact CB-CG 4.47Å; I104-E114 HydrophobicContact CD1-CB 3.57Å; I104-E114 HydrophobicContact CD1-CG 3.56Å; E114-K116 WeakPolarHBondContact OE1-CE 3.09Å
115I96.3Very high94.3Very high19 Ų1963.9 Ų63.910%0.09735%0.354CS..EExtended strand (participates in β ladder)trans-121113.6174.9-59.8178.4000107.5L103 L105 F123 L144 I148 V151L103-I115 HydrophobicContact CB-CB 4.34Å; L103-I115 PolarHBondContact N-O 3.02Å; L103-I115 PolarHBondContact O-N 3.22Å; L105-I115 HydrophobicContact CD1-CD1 3.5Å; L105-I115 VanDerWaalsContact CD1-CD1 3.5Å; L105-I115 HydrophobicContact CD1-CG1 4.38Å; L105-I115 HydrophobicContact CG-CD1 4.41Å; I115-F123 HydrophobicContact CG2-CE2 4.2Å; I115-F123 HydrophobicContact CG2-CZ 3.81Å; I115-L144 HydrophobicContact CG2-CD1 4.01Å; I115-I148 HydrophobicContact CD1-CB 4.06Å; I115-I148 HydrophobicContact CD1-CG1 3.4Å; I115-I148 VanDerWaalsContact CD1-CG1 3.4Å; I115-I148 HydrophobicContact CD1-CG2 4.3Å; I115-I148 HydrophobicContact CG2-CG1 4.34Å; I115-V151 HydrophobicContact CD1-CG2 4.05Å
116K94.5Very high94Very high144 Ų14469.4 Ų69.463%0.62638%0.38SS*.PPolyproline II helixtrans-74.4139-178.5-66.2-175.1177.8-174.60111.1D102 E114 E118D102-K116 VanDerWaalsContact OD1-CA 3.29Å; D102-K116 WeakPolarHBondContact OD1-CA 3.09Å; E114-K116 WeakPolarHBondContact OE1-CE 3.09Å; K116-E118 PolarHBondContact O-N 3.07Å
117A90.3Very high93.7Very high29 Ų2974.7 Ų74.724%0.2440%0.401CS..PPolyproline II helixtrans-71.1126.217300000110.1K101 D102 F123K101-A117 HydrophobicContact CB-CB 4.1Å; K101-A117 WeakPolarHBondContact O-CB 3.4Å; D102-A117 PolarHBondContact OD1-N 3.1Å; A117-F123 HydrophobicContact CB-CD2 4.2Å; A117-F123 HydrophobicContact CB-CE2 4.06Å
118E89.3Confident93.6Very high94 Ų9479.8 Ų79.844%0.43943%0.428SS..PPolyproline II helixtrans-78.2166.9168.6-68.9179.4-15400110.7K116 N120 I121K116-E118 PolarHBondContact O-N 3.07Å; E118-N120 PolarHBondContact O-N 2.82Å; E118-I121 HydrophobicContact CB-CG1 4.21Å; E118-I121 PolarHBondContact O-N 3.11Å
119E87.9Confident93.7Very high157 Ų15779.5 Ų79.573%0.73441%0.413SS*.THydrogen-bonded Turntrans-58139.8174-164.6-179.6177.700111.1I121E119-I121 PolarHBondContact O-N 3.18Å; E119-I121 VanDerWaalsContact O-N 3.14Å
120N86.7Confident93.9Very high78 Ų7875.6 Ų75.642%0.41740%0.4SS..THydrogen-bonded Turntrans60.815.3-177.6-55.6-50.2000115.5E118 G135 I136E118-N120 PolarHBondContact O-N 2.82Å; N120-G135 VanDerWaalsContact O-CA 3.23Å; N120-G135 WeakPolarHBondContact O-CA 3.43Å; N120-I136 HydrophobicContact CB-CD1 4.25Å; N120-I136 HydrophobicContact CB-CG1 4.12Å
121I93.8Very high94Very high11 Ų1169.6 Ų69.66%0.05636%0.358CS..EExtended strand (participates in β ladder)trans-111.1134.2171.4-58.5-65.3000110.5E118 E119 F123 V133 E134 Q140 V141 L144E118-I121 HydrophobicContact CB-CG1 4.21Å; E118-I121 PolarHBondContact O-N 3.11Å; E119-I121 PolarHBondContact O-N 3.18Å; E119-I121 VanDerWaalsContact O-N 3.14Å; I121-F123 HydrophobicContact CG2-CD1 4.48Å; I121-F123 HydrophobicContact CG2-CE1 4.2Å; I121-F123 HydrophobicContact CG2-CZ 4.47Å; I121-V133 HydrophobicContact CG2-CG1 3.96Å; I121-E134 CarbonylContact C-O 3.4Å; I121-E134 WeakPolarHBondContact CA-O 3.49Å; I121-Q140 HydrophobicContact CD1-CB 4.03Å; I121-V141 HydrophobicContact CD1-CG2 3.62Å; I121-L144 HydrophobicContact CB-CD2 4.24Å; I121-L144 HydrophobicContact CG1-CD2 4.22Å; I121-L144 HydrophobicContact CG2-CD2 3.53Å
122T95.5Very high94.2Very high86 Ų8666.2 Ų66.253%0.52834%0.342SS..EExtended strand (participates in β ladder)trans-120.4129.6171.1-59.90000109.2E134T122-E134 PolarHBondContact N-O 2.83Å; T122-E134 PolarHBondContact O-N 3.41Å
123F96.5Very high94.2Very high8 Ų863 Ų634%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-93.3144.2167-59-58.6000110.2M98 L103 I115 A117 I121 K132 V133 L144 I148M98-F123 HydrophobicContact CE-CB 3.81Å; M98-F123 WeakPolarHBondContact CE-O 3.33Å; M98-F123 HydrophobicContact SD-CB 3.65Å; L103-F123 HydrophobicContact CB-CB 4.4Å; L103-F123 HydrophobicContact CB-CD2 3.69Å; L103-F123 HydrophobicContact CB-CE2 3.97Å; L103-F123 HydrophobicContact CB-CG 4.01Å; L103-F123 HydrophobicContact CD2-CD1 4.41Å; I115-F123 HydrophobicContact CG2-CE2 4.2Å; I115-F123 HydrophobicContact CG2-CZ 3.81Å; A117-F123 HydrophobicContact CB-CD2 4.2Å; A117-F123 HydrophobicContact CB-CE2 4.06Å; I121-F123 HydrophobicContact CG2-CD1 4.48Å; I121-F123 HydrophobicContact CG2-CE1 4.2Å; I121-F123 HydrophobicContact CG2-CZ 4.47Å; F123-K132 WeakPolarHBondContact CA-O 3.37Å; F123-V133 HydrophobicContact CD1-CB 4.42Å; F123-V133 HydrophobicContact CD1-CG1 4.25Å; F123-V133 HydrophobicContact CD1-CG2 4.04Å; F123-V133 HydrophobicContact CE1-CB 4.44Å; F123-V133 HydrophobicContact CE1-CG1 3.95Å; F123-V133 HydrophobicContact CE1-CG2 3.97Å; F123-L144 HydrophobicContact CE1-CD2 3.44Å; F123-L144 VanDerWaalsContact CE1-CD2 3.44Å; F123-L144 HydrophobicContact CE1-CG 3.96Å; F123-L144 HydrophobicContact CE2-CD2 4.35Å; F123-L144 HydrophobicContact CZ-CD1 4.29Å; F123-L144 HydrophobicContact CZ-CD2 3.25Å; F123-L144 HydrophobicContact CZ-CG 3.83Å; F123-I148 HydrophobicContact CD1-CD1 4.38Å; F123-I148 HydrophobicContact CE1-CD1 3.66Å; F123-I148 HydrophobicContact CZ-CD1 4.29Å
124S96Very high94.2Very high36 Ų3664.5 Ų64.525%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-136.1145.9165.768.10000110.9V131 K132S124-V131 WeakPolarHBondContact O-CA 3.04Å; S124-K132 PolarHBondContact N-O 3.15Å; S124-K132 PolarHBondContact O-N 2.97Å; S124-K132 WeakPolarHBondContact OG-CB 3.26Å
125V95.6Very high94.2Very high37 Ų3760.4 Ų60.422%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-116.997.7179.1178.80000107.2A96 M98 L103 K127 V130 V131A96-V125 HydrophobicContact CB-CG1 4.3Å; A96-V125 HydrophobicContact CB-CG2 4.1Å; M98-V125 HydrophobicContact CG-CB 4.38Å; M98-V125 HydrophobicContact CG-CG2 3.9Å; M98-V125 HydrophobicContact SD-CG2 3.97Å; L103-V125 HydrophobicContact CD1-CG2 3.76Å; V125-K127 WeakPolarHBondContact CG1-O 3.31Å; V125-V130 WeakPolarHBondContact CA-O 3.46Å; V125-V131 HydrophobicContact CG2-CG2 4.46Å
126E91.3Very high94.2Very high117 Ų11759.9 Ų59.955%0.54731%0.307SS..EExtended strand (participates in β ladder)trans-72.3-36.6-178.8-65.3-167137.100112.3V130 K132E126-V130 PolarHBondContact N-O 3.44Å; E126-K132 VanDerWaalsContact CD-NZ 3.28Å; E126-K132 HydrophobicContact CG-CD 3.97Å; E126-K132 HydrophobicContact CG-CG 4.42Å; E126-K132 WeakPolarHBondContact OE1-CE 3.18Å; E126-K132 IonicContact OE1-NZ 3.87Å; E126-K132 PolarHBondContact OE1-NZ 3.49Å; E126-K132 WeakPolarHBondContact OE2-CE 3.27Å; E126-K132 IonicContact OE2-NZ 2.98Å
127K91.7Very high94.3Very high145 Ų14553.9 Ų53.963%0.6328%0.283SS*.EExtended strand (participates in β ladder)trans-139.2154.3174.6-63.4-179.4-178.3176.80106V125 T129 V130V125-K127 WeakPolarHBondContact CG1-O 3.31Å; K127-T129 PolarHBondContact O-N 3.35Å; K127-V130 HydrophobicContact CB-CB 4.26Å; K127-V130 HydrophobicContact CB-CG2 4.18Å; K127-V130 PolarHBondContact O-N 2.89Å; K127-V130 VanDerWaalsContact O-O 3.08Å
128N93.3Very high94.6Very high107 Ų10757.3 Ų57.357%0.57229%0.293SS*.THydrogen-bonded Turntrans-51.7-22.8177.9-69.8-5000113.3R95 A96R95-N128 CarbonylContact C-O 3.45Å; R95-N128 WeakPolarHBondContact CA-O 3.28Å; R95-N128 HydrophobicContact CB-CB 4.08Å; A96-N128 PolarHBondContact N-O 3.04Å
129T95.7Very high94.9Very high60 Ų6057.7 Ų57.737%0.36829%0.294SS..THydrogen-bonded Turntrans-106.37.1178.656.90000114.9E88 L89 K127E88-T129 CarbonylContact C-O 3.57Å; E88-T129 WeakPolarHBondContact CA-O 3.4Å; L89-T129 PolarHBondContact N-O 3.45Å; L89-T129 WeakPolarHBondContact O-CB 3.47Å; K127-T129 PolarHBondContact O-N 3.35Å
130V97.2Very high95.2Very high19 Ų1953.1 Ų53.112%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-131.9117.4-177.2-177.40000109.6V86 L87 V125 E126 K127V86-V130 HydrophobicContact CG1-CG1 3.69Å; L87-V130 WeakPolarHBondContact O-CA 3.43Å; V125-V130 WeakPolarHBondContact CA-O 3.46Å; E126-V130 PolarHBondContact N-O 3.44Å; K127-V130 HydrophobicContact CB-CB 4.26Å; K127-V130 HydrophobicContact CB-CG2 4.18Å; K127-V130 PolarHBondContact O-N 2.89Å; K127-V130 VanDerWaalsContact O-O 3.08Å
131V97.3Very high95.7Very high0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-111.8134.9179178.30000109V86 L87 L89 A96 L103 S124 V125V86-V131 WeakPolarHBondContact CA-O 3.16Å; L87-V131 HydrophobicContact CB-CB 4.45Å; L87-V131 PolarHBondContact N-O 3.09Å; L87-V131 PolarHBondContact O-N 3.08Å; L89-V131 HydrophobicContact CD1-CG2 3.82Å; A96-V131 HydrophobicContact CB-CG2 3.27Å; L103-V131 HydrophobicContact CD1-CG1 4.07Å; L103-V131 HydrophobicContact CD1-CG2 4.16Å; L103-V131 HydrophobicContact CD2-CG1 3.65Å; L103-V131 HydrophobicContact CD2-CG2 4.42Å; S124-V131 WeakPolarHBondContact O-CA 3.04Å; V125-V131 HydrophobicContact CG2-CG2 4.46Å
132K97.7Very high95.8Very high44 Ų4450.1 Ų50.119%0.19126%0.263CS..EExtended strand (participates in β ladder)trans-110.5137.2168.1-62.2-178.3157.4179.20109.8V84 K85 V86 F123 S124 E126 E134V84-K132 HydrophobicContact CG1-CB 4.29Å; V84-K132 HydrophobicContact CG1-CD 4.39Å; V84-K132 HydrophobicContact CG1-CG 4.47Å; K85-K132 WeakPolarHBondContact O-CA 3.37Å; V86-K132 HydrophobicContact CG1-CG 4.33Å; V86-K132 HydrophobicContact CG2-CG 4.17Å; F123-K132 WeakPolarHBondContact CA-O 3.37Å; S124-K132 PolarHBondContact N-O 3.15Å; S124-K132 PolarHBondContact O-N 2.97Å; S124-K132 WeakPolarHBondContact OG-CB 3.26Å; E126-K132 VanDerWaalsContact CD-NZ 3.28Å; E126-K132 HydrophobicContact CG-CD 3.97Å; E126-K132 HydrophobicContact CG-CG 4.42Å; E126-K132 WeakPolarHBondContact OE1-CE 3.18Å; E126-K132 IonicContact OE1-NZ 3.87Å; E126-K132 PolarHBondContact OE1-NZ 3.49Å; E126-K132 WeakPolarHBondContact OE2-CE 3.27Å; E126-K132 IonicContact OE2-NZ 2.98Å; K132-E134 HydrophobicContact CB-CG 4.34Å
133V97.3Very high95.9Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-111.1115.3171.2-172.60000106.8V84 K85 L87 I121 F123 V141 L144 A145 I148V84-V133 CarbonylContact C-O 3.49Å; V84-V133 WeakPolarHBondContact CA-O 3.32Å; K85-V133 HydrophobicContact CB-CB 4.48Å; K85-V133 PolarHBondContact N-O 2.83Å; K85-V133 PolarHBondContact O-N 3.45Å; L87-V133 HydrophobicContact CD1-CG2 4.28Å; I121-V133 HydrophobicContact CG2-CG1 3.96Å; F123-V133 HydrophobicContact CD1-CB 4.42Å; F123-V133 HydrophobicContact CD1-CG1 4.25Å; F123-V133 HydrophobicContact CD1-CG2 4.04Å; F123-V133 HydrophobicContact CE1-CB 4.44Å; F123-V133 HydrophobicContact CE1-CG1 3.95Å; F123-V133 HydrophobicContact CE1-CG2 3.97Å; V133-V141 HydrophobicContact CB-CG1 4.43Å; V133-V141 HydrophobicContact CG1-CG1 4.2Å; V133-V141 WeakPolarHBondContact O-CG1 3.41Å; V133-L144 HydrophobicContact CG1-CB 4.36Å; V133-L144 HydrophobicContact CG1-CD2 4.16Å; V133-L144 HydrophobicContact CG1-CG 4.5Å; V133-A145 HydrophobicContact CG2-CB 4.18Å; V133-I148 HydrophobicContact CG2-CD1 3.42Å; V133-I148 VanDerWaalsContact CG2-CD1 3.42Å
134E96.9Very high95.8Very high65 Ų6548.4 Ų48.430%0.30426%0.258SS..EExtended strand (participates in β ladder)trans-119144.1-175.8-51.2-168.6165.900110.5Y83 V84 I121 T122 K132Y83-E134 VanDerWaalsContact O-CA 3.29Å; Y83-E134 WeakPolarHBondContact O-CA 3.47Å; V84-E134 HydrophobicContact CB-CG 4.47Å; V84-E134 HydrophobicContact CG1-CG 4.1Å; V84-E134 HydrophobicContact CG2-CB 4.44Å; V84-E134 HydrophobicContact CG2-CG 3.91Å; I121-E134 CarbonylContact C-O 3.4Å; I121-E134 WeakPolarHBondContact CA-O 3.49Å; T122-E134 PolarHBondContact N-O 2.83Å; T122-E134 PolarHBondContact O-N 3.41Å; K132-E134 HydrophobicContact CB-CG 4.34Å
135G96.6Very high95.9Very high12 Ų1246.7 Ų46.712%0.12425%0.246CC..EExtended strand (participates in β ladder)trans177.3171.8176.400000112.8Y83 N120Y83-G135 PolarHBondContact N-O 2.84Å; Y83-G135 PolarHBondContact O-N 3.22Å; N120-G135 VanDerWaalsContact O-CA 3.23Å; N120-G135 WeakPolarHBondContact O-CA 3.43Å
136I96.6Very high95.9Very high8 Ų847.4 Ų47.44%0.04125%0.253CS..SBendtrans-86.1-26-176.862.8179.8000112.7K30 E32 L33 G78 Y83 N120K30-I136 HydrophobicContact CB-CG2 3.63Å; E32-I136 WeakPolarHBondContact O-CD1 3.41Å; L33-I136 HydrophobicContact CD1-CB 4.39Å; L33-I136 HydrophobicContact CD1-CD1 4.48Å; L33-I136 HydrophobicContact CD1-CG1 4.19Å; L33-I136 HydrophobicContact CD2-CD1 3.85Å; L33-I136 HydrophobicContact CD2-CG1 3.89Å; L33-I136 HydrophobicContact CG-CD1 3.82Å; L33-I136 HydrophobicContact CG-CG1 4Å; G78-I136 WeakPolarHBondContact CA-O 3.5Å; G78-I136 WeakPolarHBondContact O-CG2 3.33Å; Y83-I136 WeakPolarHBondContact CD2-O 3.45Å; N120-I136 HydrophobicContact CB-CD1 4.25Å; N120-I136 HydrophobicContact CB-CG1 4.12Å
137S96.3Very high96.2Very high18 Ų1846.2 Ų46.213%0.12625%0.25CS..  trans-92.7117.9177.7176.80000111.6E139 Q140 V141S137-E139 PolarHBondContact O-N 2.92Å; S137-Q140 PolarHBondContact O-N 2.86Å; S137-Q140 PolarHBondContact OG-N 2.89Å; S137-V141 WeakPolarHBondContact O-CB 3.12Å; S137-V141 VanDerWaalsContact O-CG2 3.32Å; S137-V141 WeakPolarHBondContact O-CG2 3.49Å; S137-V141 PolarHBondContact O-N 3.29Å
138K96.6Very high96.4Very high102 Ų10239.3 Ų39.344%0.44322%0.22SC..Hα-helixtrans-58.2-37.1176-166.4177.7-173.6173.20112.8N74 Y83 G142N74-K138 HydrophobicContact CB-CB 4.39Å; N74-K138 HydrophobicContact CB-CD 4.23Å; N74-K138 WeakPolarHBondContact OD1-CD 3.13Å; N74-K138 PolarHBondContact OD1-NZ 2.93Å; N74-K138 VanDerWaalsContact OD1-NZ 3.1Å; Y83-K138 HydrophobicContact CD1-CB 4.31Å; Y83-K138 HydrophobicContact CD1-CG 4.08Å; Y83-K138 HydrophobicContact CD2-CB 3.72Å; Y83-K138 HydrophobicContact CD2-CG 4.37Å; Y83-K138 HydrophobicContact CE1-CB 4.2Å; Y83-K138 HydrophobicContact CE1-CD 3.98Å; Y83-K138 HydrophobicContact CE1-CG 4.01Å; Y83-K138 HydrophobicContact CE2-CB 3.56Å; Y83-K138 HydrophobicContact CE2-CG 4.28Å; Y83-K138 HydrophobicContact CG-CB 4.09Å; Y83-K138 HydrophobicContact CG-CG 4.26Å; K138-G142 PolarHBondContact O-N 3.38Å
139E95.4Very high96.6Very high102 Ų10237.1 Ų37.148%0.47720%0.204SC..Hα-helixtrans-69.7-48.4-177.9-66.6176.6-177.900110.2R35 L71 S137 G142 A143R35-E139 IonicContact CZ-OE1 3.07Å; R35-E139 VanDerWaalsContact NH1-CD 3.34Å; R35-E139 IonicContact NH1-OE1 3.01Å; R35-E139 PolarHBondContact NH1-OE1 3.24Å; R35-E139 IonicContact NH1-OE2 3.94Å; R35-E139 PolarHBondContact NH1-OE2 3.15Å; R35-E139 IonicContact NH2-OE1 2.98Å; L71-E139 WeakPolarHBondContact CD2-OE1 3.36Å; S137-E139 PolarHBondContact O-N 2.92Å; E139-G142 PolarHBondContact O-N 3.09Å; E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 3.12Å
140Q94.9Very high96.7Very high61 Ų6137.7 Ų37.729%0.28521%0.21SC..Hα-helixtrans-64.2-47.7178.3-66.7177.4-64.700111.6I121 S137 G142 A143 L144I121-Q140 HydrophobicContact CD1-CB 4.03Å; S137-Q140 PolarHBondContact O-N 2.86Å; S137-Q140 PolarHBondContact OG-N 2.89Å; Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 2.85Å; Q140-A143 PolarHBondContact O-N 2.91Å; Q140-L144 WeakPolarHBondContact O-CB 3.48Å; Q140-L144 PolarHBondContact O-N 2.85Å
141V97.1Very high96.7Very high1 Ų138.1 Ų38.11%0.00621%0.213CC..Hα-helixtrans-58.8-42.6177.2171.70000111K85 I121 V133 S137 A145K85-V141 HydrophobicContact CB-CG1 4.05Å; K85-V141 HydrophobicContact CG-CG1 3.7Å; I121-V141 HydrophobicContact CD1-CG2 3.62Å; V133-V141 HydrophobicContact CB-CG1 4.43Å; V133-V141 HydrophobicContact CG1-CG1 4.2Å; V133-V141 WeakPolarHBondContact O-CG1 3.41Å; S137-V141 WeakPolarHBondContact O-CB 3.12Å; S137-V141 VanDerWaalsContact O-CG2 3.32Å; S137-V141 WeakPolarHBondContact O-CG2 3.49Å; S137-V141 PolarHBondContact O-N 3.29Å; V141-A145 WeakPolarHBondContact O-CB 3.44Å; V141-A145 PolarHBondContact O-N 2.92Å
142G96.8Very high96.6Very high25 Ų2542.9 Ų42.926%0.25823%0.231SC..Hα-helixtrans-66-45.5177.400000113.2K138 E139 Q140 S146K138-G142 PolarHBondContact O-N 3.38Å; E139-G142 PolarHBondContact O-N 3.09Å; Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 2.85Å; G142-S146 WeakPolarHBondContact O-CB 3.49Å; G142-S146 PolarHBondContact O-N 3.46Å
143A96.1Very high96.5Very high52 Ų5244 Ų4443%0.4324%0.242SC..Hα-helixtrans-62.5-47.4178.700000111.1E139 Q140 S146 N147E139-A143 VanDerWaalsContact O-CB 3.29Å; E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 3.12Å; Q140-A143 PolarHBondContact O-N 2.91Å; A143-S146 WeakPolarHBondContact O-CB 3.33Å; A143-S146 PolarHBondContact O-N 3.18Å; A143-N147 VanDerWaalsContact O-CG 3.25Å; A143-N147 PolarHBondContact O-N 3.42Å; A143-N147 PolarHBondContact O-OD1 3.27Å
144L95.9Very high96.5Very high6 Ų645 Ų453%0.03125%0.249CC..Hα-helixtrans-68.9-40.1-178.6-166.561.1000112.2I115 I121 F123 V133 Q140 S146 N147 I148I115-L144 HydrophobicContact CG2-CD1 4.01Å; I121-L144 HydrophobicContact CB-CD2 4.24Å; I121-L144 HydrophobicContact CG1-CD2 4.22Å; I121-L144 HydrophobicContact CG2-CD2 3.53Å; F123-L144 HydrophobicContact CE1-CD2 3.44Å; F123-L144 VanDerWaalsContact CE1-CD2 3.44Å; F123-L144 HydrophobicContact CE1-CG 3.96Å; F123-L144 HydrophobicContact CE2-CD2 4.35Å; F123-L144 HydrophobicContact CZ-CD1 4.29Å; F123-L144 HydrophobicContact CZ-CD2 3.25Å; F123-L144 HydrophobicContact CZ-CG 3.83Å; V133-L144 HydrophobicContact CG1-CB 4.36Å; V133-L144 HydrophobicContact CG1-CD2 4.16Å; V133-L144 HydrophobicContact CG1-CG 4.5Å; Q140-L144 WeakPolarHBondContact O-CB 3.48Å; Q140-L144 PolarHBondContact O-N 2.85Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.35Å; L144-N147 WeakPolarHBondContact O-CB 3.33Å; L144-N147 PolarHBondContact O-N 3.42Å; L144-N147 VanDerWaalsContact O-N 3.16Å; L144-I148 HydrophobicContact CG-CD1 4.42Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.43Å; L144-I148 PolarHBondContact O-N 2.73Å
145A96.9Very high96.3Very high0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-61.8-36.6172.700000112.1K85 L87 V133 V141 R149 Y164K85-A145 HydrophobicContact CB-CB 3.72Å; K85-A145 HydrophobicContact CG-CB 4.13Å; L87-A145 HydrophobicContact CD1-CB 4.13Å; V133-A145 HydrophobicContact CG2-CB 4.18Å; V141-A145 WeakPolarHBondContact O-CB 3.44Å; V141-A145 PolarHBondContact O-N 2.92Å; A145-R149 WeakPolarHBondContact O-CB 3.27Å; A145-R149 PolarHBondContact O-N 2.9Å; A145-Y164 HydrophobicContact CB-CE1 3.93Å
146S97.2Very high96Very high51 Ų5145.9 Ų45.936%0.35725%0.254SS..Hα-helixtrans-66.4-39.3173.2-172.30000112.5G142 A143 L144 R149 S150 Y164G142-S146 WeakPolarHBondContact O-CB 3.49Å; G142-S146 PolarHBondContact O-N 3.46Å; A143-S146 WeakPolarHBondContact O-CB 3.33Å; A143-S146 PolarHBondContact O-N 3.18Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.35Å; S146-R149 PolarHBondContact O-N 2.87Å; S146-S150 WeakPolarHBondContact O-CB 3.11Å; S146-S150 PolarHBondContact O-N 3.42Å; S146-S150 PolarHBondContact O-OG 3.06Å; S146-Y164 WeakPolarHBondContact CA-OH 3.41Å; S146-Y164 PolarHBondContact N-OH 3.03Å
147N96.4Very high95.7Very high92 Ų9251.4 Ų51.449%0.49228%0.276SS..Hα-helixtrans-63.7-46.4175.9-68.7-15.2000110.7A143 L144 R149 S150 V151A143-N147 VanDerWaalsContact O-CG 3.25Å; A143-N147 PolarHBondContact O-N 3.42Å; A143-N147 PolarHBondContact O-OD1 3.27Å; L144-N147 WeakPolarHBondContact O-CB 3.33Å; L144-N147 PolarHBondContact O-N 3.42Å; L144-N147 VanDerWaalsContact O-N 3.16Å; N147-R149 PolarHBondContact O-N 3.4Å; N147-S150 PolarHBondContact O-N 3.16Å; N147-S150 VanDerWaalsContact O-N 3.12Å; N147-V151 PolarHBondContact O-N 3.4Å
148I96.9Very high95.4Very high0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-57.8-49175-65.6159.1000110.5L87 L103 L105 I115 F123 V133 L144 S150 V151 I162L87-I148 HydrophobicContact CD1-CB 3.65Å; L87-I148 HydrophobicContact CD1-CD1 4.03Å; L87-I148 HydrophobicContact CD1-CG1 4.45Å; L87-I148 HydrophobicContact CD1-CG2 3.5Å; L103-I148 HydrophobicContact CD2-CD1 4.02Å; L103-I148 HydrophobicContact CD2-CG1 4.27Å; L105-I148 HydrophobicContact CD1-CG2 4.01Å; I115-I148 HydrophobicContact CD1-CB 4.06Å; I115-I148 HydrophobicContact CD1-CG1 3.4Å; I115-I148 VanDerWaalsContact CD1-CG1 3.4Å; I115-I148 HydrophobicContact CD1-CG2 4.3Å; I115-I148 HydrophobicContact CG2-CG1 4.34Å; F123-I148 HydrophobicContact CD1-CD1 4.38Å; F123-I148 HydrophobicContact CE1-CD1 3.66Å; F123-I148 HydrophobicContact CZ-CD1 4.29Å; V133-I148 HydrophobicContact CG2-CD1 3.42Å; V133-I148 VanDerWaalsContact CG2-CD1 3.42Å; L144-I148 HydrophobicContact CG-CD1 4.42Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.43Å; L144-I148 PolarHBondContact O-N 2.73Å; I148-S150 VanDerWaalsContact C-N 3.25Å; I148-S150 PolarHBondContact O-N 3.11Å; I148-V151 WeakPolarHBondContact O-CB 3.43Å; I148-V151 PolarHBondContact O-N 3.38Å; I148-I162 HydrophobicContact CG2-CD1 4.41Å; I148-I162 HydrophobicContact CG2-CG2 4.18Å; I148-I162 WeakPolarHBondContact O-CD1 3.48Å
149R97.2Very high95.1Very high61 Ų6152.7 Ų52.723%0.2328%0.279CS..Hα-helixtrans-58.2-38.5176.9-175.2179.6173.6-75.51.4112.3L87 A145 S146 N147 V151 R152 P153 I162 E167L87-R149 HydrophobicContact CD2-CB 4.21Å; A145-R149 WeakPolarHBondContact O-CB 3.27Å; A145-R149 PolarHBondContact O-N 2.9Å; S146-R149 PolarHBondContact O-N 2.87Å; N147-R149 PolarHBondContact O-N 3.4Å; R149-V151 VanDerWaalsContact C-N 3.27Å; R149-V151 PolarHBondContact O-N 2.92Å; R149-R152 CarbonylContact O-C 3.49Å; R149-R152 PolarHBondContact O-N 3.18Å; R149-P153 WeakPolarHBondContact O-CA 3.35Å; R149-I162 WeakPolarHBondContact CG-O 3.36Å; R149-E167 IonicContact CZ-OE1 3.82Å; R149-E167 IonicContact CZ-OE2 2.73Å; R149-E167 IonicContact NE-OE1 2.76Å; R149-E167 PolarHBondContact NE-OE1 2.64Å; R149-E167 IonicContact NE-OE2 3.3Å; R149-E167 PolarHBondContact NE-OE2 2.84Å; R149-E167 IonicContact NH2-OE1 4Å; R149-E167 PolarHBondContact NH2-OE1 3.17Å; R149-E167 IonicContact NH2-OE2 3.22Å
150S96.9Very high95Very high72 Ų7251.4 Ų51.450%0.50327%0.272SS..Hα-helixtrans-71.1-18.7-178-58.80000113.7S146 N147 I148 R152S146-S150 WeakPolarHBondContact O-CB 3.11Å; S146-S150 PolarHBondContact O-N 3.42Å; S146-S150 PolarHBondContact O-OG 3.06Å; N147-S150 PolarHBondContact O-N 3.16Å; N147-S150 VanDerWaalsContact O-N 3.12Å; I148-S150 VanDerWaalsContact C-N 3.25Å; I148-S150 PolarHBondContact O-N 3.11Å; S150-R152 VanDerWaalsContact C-N 3.26Å; S150-R152 PolarHBondContact O-N 3.31Å
151V97Very high95.1Very high29 Ų2948.5 Ų48.518%0.17626%0.258CS..Hα-helixtrans-56.1-44.1172.9174.90000110.7L105 V107 Y109 V113 I115 N147 I148 R149 I162L105-V151 HydrophobicContact CD1-CB 4.45Å; L105-V151 HydrophobicContact CD1-CG1 4.41Å; L105-V151 HydrophobicContact CD1-CG2 4.3Å; V107-V151 HydrophobicContact CG2-CG1 3.91Å; Y109-V151 HydrophobicContact CE2-CG1 4.04Å; Y109-V151 WeakPolarHBondContact CE2-O 3.47Å; Y109-V151 PolarHBondContact OH-O 2.99Å; V113-V151 HydrophobicContact CB-CG1 4.09Å; V113-V151 HydrophobicContact CG1-CG1 3.93Å; V113-V151 HydrophobicContact CG1-CG2 4.14Å; V113-V151 HydrophobicContact CG2-CG1 3.95Å; I115-V151 HydrophobicContact CD1-CG2 4.05Å; N147-V151 PolarHBondContact O-N 3.4Å; I148-V151 WeakPolarHBondContact O-CB 3.43Å; I148-V151 PolarHBondContact O-N 3.38Å; R149-V151 VanDerWaalsContact C-N 3.27Å; R149-V151 PolarHBondContact O-N 2.92Å; V151-I162 HydrophobicContact CB-CD1 4.07Å; V151-I162 HydrophobicContact CG1-CD1 4.5Å
152R96.5Very high95.1Very high99 Ų9948.4 Ų48.437%0.37426%0.258SS..SBendtrans-149.384.1176.5-169.971178.2163.91.2109.6Y94 V107 Y109 R149 S150 G161 I162Y94-R152 HydrophobicContact CE2-CG 4.24Å; Y94-R152 PolarHBondContact OH-NE 3.49Å; V107-R152 HydrophobicContact CB-CB 4.12Å; V107-R152 HydrophobicContact CB-CG 4.38Å; V107-R152 HydrophobicContact CG2-CB 3.87Å; V107-R152 HydrophobicContact CG2-CG 4.48Å; Y109-R152 HydrophobicContact CE2-CB 4.48Å; R149-R152 CarbonylContact O-C 3.49Å; R149-R152 PolarHBondContact O-N 3.18Å; S150-R152 VanDerWaalsContact C-N 3.26Å; S150-R152 PolarHBondContact O-N 3.31Å; R152-G161 CarbonylContact O-C 3.6Å; R152-G161 VanDerWaalsContact O-CA 3.28Å; R152-G161 WeakPolarHBondContact O-CA 3.24Å; R152-I162 HydrophobicContact CB-CD1 4.21Å; R152-I162 HydrophobicContact CB-CG1 4.34Å; R152-I162 PolarHBondContact O-N 3.28Å
153P95.9Very high95.1Very high67 Ų6749.9 Ų49.944%0.43526%0.256SS..PPolyproline II helixtrans-63.4157.1-178.426.6-34.6000111.5R149 E155R149-P153 WeakPolarHBondContact O-CA 3.35Å; P153-E155 PolarHBondContact O-N 3.09Å
154P95.6Very high95.1Very high22 Ų2250.5 Ų50.514%0.14325%0.248CC..PPolyproline II helixtrans-67.4126.4-176.928.3-31.6000110.6K160 I162 R163 V169P154-K160 CarbonylContact C-O 3.57Å; P154-K160 WeakPolarHBondContact CA-O 3.38Å; P154-I162 WeakPolarHBondContact CD-O 3.45Å; P154-R163 HydrophobicContact CB-CB 4.43Å; P154-R163 HydrophobicContact CG-CB 4.34Å; P154-V169 HydrophobicContact CB-CB 4.49Å; P154-V169 HydrophobicContact CB-CG1 3.85Å; P154-V169 HydrophobicContact CB-CG2 3.76Å; P154-V169 HydrophobicContact CG-CG1 4.27Å; P154-V169 HydrophobicContact CG-CG2 3.9Å
155E93.1Very high95.1Very high45 Ų4555.7 Ų55.721%0.2127%0.272CS..PPolyproline II helixtrans-77.3151.3-179.760.471.6-151.400112.6P153 Y157 K158 G159 K160P153-E155 PolarHBondContact O-N 3.09Å; E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 3.18Å; E155-Y157 VanDerWaalsContact OE2-CA 3.31Å; E155-Y157 WeakPolarHBondContact OE2-CA 3.4Å; E155-Y157 VanDerWaalsContact OE2-CB 3.29Å; E155-Y157 WeakPolarHBondContact OE2-CB 3.23Å; E155-Y157 PolarHBondContact OE2-N 3.3Å; E155-K158 WeakPolarHBondContact OE1-CA 3.27Å; E155-K158 WeakPolarHBondContact OE1-CB 3.48Å; E155-K158 PolarHBondContact OE1-N 2.89Å; E155-K158 PolarHBondContact OE2-N 3.43Å; E155-G159 WeakPolarHBondContact O-CA 3.39Å; E155-G159 PolarHBondContact O-N 2.78Å; E155-G159 VanDerWaalsContact O-N 3.13Å; E155-G159 PolarHBondContact OE1-N 2.89Å; E155-K160 HydrophobicContact CG-CB 3.81Å; E155-K160 WeakPolarHBondContact CG-O 3.09Å; E155-K160 PolarHBondContact N-O 2.91Å; E155-K160 PolarHBondContact OE1-N 3.36Å
156P91.1Very high94.9Very high50 Ų5059.3 Ų59.333%0.32531%0.309SS..THydrogen-bonded Turntrans-78.5-3-165.731.7-37000114.6R171 K172P156-R171 CarbonylContact O-C 3.58Å; P156-R171 WeakPolarHBondContact O-CA 3.46Å; P156-K172 HydrophobicContact CB-CD 4.3Å; P156-K172 HydrophobicContact CB-CG 4.33Å; P156-K172 PolarHBondContact O-N 3.33Å
157Y89.7Confident94.7Very high125 Ų12559 Ų5949%0.4930%0.302SS..THydrogen-bonded Turntrans-104-62.5-177-58.5-77.9000111.8E155 K172 E173E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 3.18Å; E155-Y157 VanDerWaalsContact OE2-CA 3.31Å; E155-Y157 WeakPolarHBondContact OE2-CA 3.4Å; E155-Y157 VanDerWaalsContact OE2-CB 3.29Å; E155-Y157 WeakPolarHBondContact OE2-CB 3.23Å; E155-Y157 PolarHBondContact OE2-N 3.3Å; Y157-K172 HydrophobicContact CD1-CB 4.17Å; Y157-K172 HydrophobicContact CE1-CB 4.08Å; Y157-E173 WeakPolarHBondContact CE1-O 3.35Å
158K89.5Confident94.5Very high146 Ų14664.2 Ų64.264%0.63532%0.316SS*.THydrogen-bonded Turntrans-99.6-2.8-179.3-50.9-179.2175.4-175.40112.6E155 K160E155-K158 WeakPolarHBondContact OE1-CA 3.27Å; E155-K158 WeakPolarHBondContact OE1-CB 3.48Å; E155-K158 PolarHBondContact OE1-N 2.89Å; E155-K158 PolarHBondContact OE2-N 3.43Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 HydrophobicContact CB-CG 4.19Å; K158-K160 PolarHBondContact O-N 2.88Å
159G90.3Very high94.2Very high1 Ų165.2 Ų65.21%0.0132%0.322CS..  trans68.518.7-176.100000114.6E155E155-G159 WeakPolarHBondContact O-CA 3.39Å; E155-G159 PolarHBondContact O-N 2.78Å; E155-G159 VanDerWaalsContact O-N 3.13Å; E155-G159 PolarHBondContact OE1-N 2.89Å
160K94.1Very high93.8Very high74 Ų7471.6 Ų71.632%0.32235%0.346SS..  trans-67.8137.2178.6-66-179177.2-172.50111.3V90 P154 E155 K158V90-K160 CarbonylContact O-C 3.57Å; V90-K160 WeakPolarHBondContact O-CA 3.2Å; V90-K160 WeakPolarHBondContact O-CB 3.33Å; P154-K160 CarbonylContact C-O 3.57Å; P154-K160 WeakPolarHBondContact CA-O 3.38Å; E155-K160 HydrophobicContact CG-CB 3.81Å; E155-K160 WeakPolarHBondContact CG-O 3.09Å; E155-K160 PolarHBondContact N-O 2.91Å; E155-K160 PolarHBondContact OE1-N 3.36Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 HydrophobicContact CB-CG 4.19Å; K158-K160 PolarHBondContact O-N 2.88Å
161G96.4Very high93.3Very high0 Ų075.6 Ų75.60%035%0.35CS..EExtended strand (participates in β ladder)trans140.8-170.1-175.700000111V90 R152V90-G161 PolarHBondContact N-O 3.03Å; V90-G161 PolarHBondContact O-N 3Å; R152-G161 CarbonylContact O-C 3.6Å; R152-G161 VanDerWaalsContact O-CA 3.28Å; R152-G161 WeakPolarHBondContact O-CA 3.24Å
162I97.5Very high92.9Very high0 Ų080.2 Ų80.20%037%0.368CS..EExtended strand (participates in β ladder)trans-98.6128.7174.6-54.5166.4000106.4L87 E88 L89 L105 V107 I148 R149 V151 R152 P154L87-I162 HydrophobicContact CB-CG2 4.13Å; L87-I162 HydrophobicContact CD2-CG2 4.2Å; E88-I162 WeakPolarHBondContact O-CA 3.41Å; L89-I162 HydrophobicContact CG-CG1 4.23Å; L105-I162 HydrophobicContact CD1-CD1 4.05Å; V107-I162 HydrophobicContact CG1-CD1 4.13Å; V107-I162 HydrophobicContact CG1-CG1 4.18Å; I148-I162 HydrophobicContact CG2-CD1 4.41Å; I148-I162 HydrophobicContact CG2-CG2 4.18Å; I148-I162 WeakPolarHBondContact O-CD1 3.48Å; R149-I162 WeakPolarHBondContact CG-O 3.36Å; V151-I162 HydrophobicContact CB-CD1 4.07Å; V151-I162 HydrophobicContact CG1-CD1 4.5Å; R152-I162 HydrophobicContact CB-CD1 4.21Å; R152-I162 HydrophobicContact CB-CG1 4.34Å; R152-I162 PolarHBondContact O-N 3.28Å; P154-I162 WeakPolarHBondContact CD-O 3.45Å
163R96.6Very high92.3Very high56 Ų5684.2 Ų84.221%0.21139%0.391CS..EExtended strand (participates in β ladder)trans-136.4160.7179.464.1179.7-173.5174.42.8110.2L87 E88 P154 E167 V169L87-R163 CarbonylContact C-O 3.36Å; L87-R163 VanDerWaalsContact CA-O 3.26Å; L87-R163 WeakPolarHBondContact CA-O 3.47Å; E88-R163 HydrophobicContact CB-CG 4.18Å; E88-R163 PolarHBondContact N-O 2.77Å; E88-R163 PolarHBondContact O-N 3.47Å; E88-R163 IonicContact OE2-CZ 3.88Å; E88-R163 IonicContact OE2-NE 2.69Å; E88-R163 PolarHBondContact OE2-NE 3.06Å; E88-R163 IonicContact OE2-NH2 3.41Å; E88-R163 PolarHBondContact OE2-NH2 2.95Å; P154-R163 HydrophobicContact CB-CB 4.43Å; P154-R163 HydrophobicContact CG-CB 4.34Å; R163-E167 WeakPolarHBondContact CA-OE2 3.15Å; R163-E167 HydrophobicContact CB-CB 4.27Å; R163-V169 HydrophobicContact CB-CG2 4.39Å
164Y97.4Very high91.4Very high65 Ų6583 Ų8326%0.25539%0.39SS..EExtended strand (participates in β ladder)trans-68.5149168.2-59.5-78.1000110.5L87 A145 S146 G166 E167L87-Y164 HydrophobicContact CD2-CD1 3.45Å; L87-Y164 VanDerWaalsContact CD2-CD1 3.45Å; L87-Y164 HydrophobicContact CD2-CE1 3.67Å; L87-Y164 HydrophobicContact CD2-CG 4.03Å; L87-Y164 HydrophobicContact CG-CD1 4.32Å; A145-Y164 HydrophobicContact CB-CE1 3.93Å; S146-Y164 WeakPolarHBondContact CA-OH 3.41Å; S146-Y164 PolarHBondContact N-OH 3.03Å; Y164-G166 PolarHBondContact O-N 2.98Å; Y164-E167 WeakPolarHBondContact CD2-OE2 3.22Å; Y164-E167 PolarHBondContact N-OE2 3.46Å; Y164-E167 WeakPolarHBondContact O-CB 3.31Å; Y164-E167 PolarHBondContact O-N 3.14Å
165Q95.5Very high90.3Very high115 Ų11592.1 Ų92.154%0.53743%0.428SS..THydrogen-bonded Turntrans-57.8127.8171.2-177.3172.25200109.9V86 E88 E167V86-Q165 HydrophobicContact CB-CB 3.88Å; V86-Q165 HydrophobicContact CG1-CB 4.03Å; V86-Q165 PolarHBondContact O-N 3.12Å; E88-Q165 HydrophobicContact CG-CB 4.35Å; Q165-E167 PolarHBondContact O-N 2.87Å
166G92.3Very high88.8Confident76 Ų7696.6 Ų96.678%0.78446%0.458SS*.THydrogen-bonded Turntrans74.15.6-175.600000115.3Y164 Y168Y164-G166 PolarHBondContact O-N 2.98Å; G166-Y168 PolarHBondContact O-N 3.01Å
167E92.3Very high87.4Confident43 Ų4397.3 Ų97.320%0.20148%0.475CS..  trans-63.1123.9174.9-172.2-177.6154.200110.9R149 R163 Y164 Q165 V169R149-E167 IonicContact CZ-OE1 3.82Å; R149-E167 IonicContact CZ-OE2 2.73Å; R149-E167 IonicContact NE-OE1 2.76Å; R149-E167 PolarHBondContact NE-OE1 2.64Å; R149-E167 IonicContact NE-OE2 3.3Å; R149-E167 PolarHBondContact NE-OE2 2.84Å; R149-E167 IonicContact NH2-OE1 4Å; R149-E167 PolarHBondContact NH2-OE1 3.17Å; R149-E167 IonicContact NH2-OE2 3.22Å; R163-E167 WeakPolarHBondContact CA-OE2 3.15Å; R163-E167 HydrophobicContact CB-CB 4.27Å; Y164-E167 WeakPolarHBondContact CD2-OE2 3.22Å; Y164-E167 PolarHBondContact N-OE2 3.46Å; Y164-E167 WeakPolarHBondContact O-CB 3.31Å; Y164-E167 PolarHBondContact O-N 3.14Å; Q165-E167 PolarHBondContact O-N 2.87Å; E167-V169 PolarHBondContact O-N 3.11Å
168Y92.8Very high85Confident203 Ų203104.8 Ų104.880%0.79651%0.51SS*.  trans-75104.5171-179.3-107.6000110.5G166 R170G166-Y168 PolarHBondContact O-N 3.01Å; Y168-R170 HydrophobicContact CE1-CB 4.43Å
169V90.4Very high84.8Confident20 Ų20102.8 Ų102.812%0.12150%0.504CS..  trans-89.4108.3175.1-178.70000108.9P154 R163 E167 R171P154-V169 HydrophobicContact CB-CB 4.49Å; P154-V169 HydrophobicContact CB-CG1 3.85Å; P154-V169 HydrophobicContact CB-CG2 3.76Å; P154-V169 HydrophobicContact CG-CG1 4.27Å; P154-V169 HydrophobicContact CG-CG2 3.9Å; R163-V169 HydrophobicContact CB-CG2 4.39Å; E167-V169 PolarHBondContact O-N 3.11Å; V169-R171 PolarHBondContact O-N 3.26Å; V169-R171 VanDerWaalsContact O-N 3.14Å
170R88.9Confident84.5Confident196 Ų196108.1 Ų108.174%0.7453%0.53SS*.  trans-61.1116.1175.2-177.6179.4179.6179.91.6109.9Y168Y168-R170 HydrophobicContact CE1-CB 4.43Å
171R86.7Confident83.9Confident155 Ų155110 Ų11059%0.58554%0.541SS*.  trans-92.6144.4175.5-64.1-178.8-177.5169-1.7111.4P156 V169P156-R171 CarbonylContact O-C 3.58Å; P156-R171 WeakPolarHBondContact O-CA 3.46Å; V169-R171 PolarHBondContact O-N 3.26Å; V169-R171 VanDerWaalsContact O-N 3.14Å
172K88.5Confident83.2Confident127 Ų127116.5 Ų116.555%0.55257%0.573SS**  trans-106.6153.8169.4-65.2-176.3179.8-177.80108.2P156 Y157 G174P156-K172 HydrophobicContact CB-CD 4.3Å; P156-K172 HydrophobicContact CB-CG 4.33Å; P156-K172 PolarHBondContact O-N 3.33Å; Y157-K172 HydrophobicContact CD1-CB 4.17Å; Y157-K172 HydrophobicContact CE1-CB 4.08Å; K172-G174 PolarHBondContact O-N 2.89Å
173E82.9Confident82.3Confident183 Ų183123.8 Ų123.886%0.85561%0.609SS**  trans-60.3127.3171.7-65-172.2166.300109.6Y157Y157-E173 WeakPolarHBondContact CE1-O 3.35Å
174G77.4Confident81.4Confident41 Ų41128.3 Ų128.342%0.42364%0.635SS.*  trans-72.3175.1171.700000110.7K172 T176K172-G174 PolarHBondContact O-N 2.89Å; G174-T176 PolarHBondContact O-N 2.53Å; G174-T176 VanDerWaalsContact O-N 3.11Å
175K72.2Confident80.2Confident213 Ų213132.8 Ų132.893%0.92666%0.662SS**  trans-64115.6164-68.5-174.3177.7-1760108G177K175-G177 PolarHBondContact O-N 3.14Å
176T62.8Low79.1Confident139 Ų139134.2 Ų134.285%0.85367%0.672SS**  trans-68.877.7165.4-420000107.6G174 K178G174-T176 PolarHBondContact O-N 2.53Å; G174-T176 VanDerWaalsContact O-N 3.11Å; T176-K178 PolarHBondContact O-N 3.29Å
177G61.9Low78Confident65 Ų65139 Ų13967%0.6766%0.663SS**  trans-73.5115.5167.900000108.1K175K175-G177 PolarHBondContact O-N 3.14Å
178K38.5Very low76.6Confident283 Ų283147.7 Ų147.7100%1.2371%0.705SS**  trans-48.10157.9-72.6178175.2-1800110.9T176T176-K178 PolarHBondContact O-N 3.29Å

Retrieved 178 of 178 residues in 32.1 ms (Link to these results)

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