YPEL2_HUMAN Loading...

Protein yippee-like 2

AlphaFold DB , UniProt , Accession Q96QA6, Species HUMAN (Homo sapiens, Human), Gene YPEL2, Length 119 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.8Very low57.1Low242 Ų242149.3 Ų149.3100%1.19274%0.737SS**  099.80-80.3170.9171.200108.6K3M1-K3 PolarHBondContact O-N 3.39Å
2V46.3Very low59.1Low149 Ų149140.6 Ų140.690%0.90371%0.706SS**  trans-76.9118.4171.6175.50000106.9M4V2-M4 PolarHBondContact O-N 3.35Å
3K45.3Very low60.7Low190 Ų190143.2 Ų143.283%0.82670%0.704SS**  trans-58.5122.3177.6-71.5175.8174.4175.60108.5M1 T5M1-K3 PolarHBondContact O-N 3.39Å; K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 3.4Å
4M51.4Low62Low191 Ų191135.4 Ų135.494%0.94167%0.667SS**  trans-56.3101.4159.3-85.5170.4143.100106.6V2 R6V2-M4 PolarHBondContact O-N 3.35Å; M4-R6 PolarHBondContact O-N 2.9Å
5T51.3Low63Low112 Ų112131.3 Ų131.369%0.68766%0.655SS**  trans-66.4107.717044.60000105.8K3 S7K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 3.4Å; T5-S7 PolarHBondContact O-N 3.2Å; T5-S7 VanDerWaalsContact O-N 3.11Å
6R54.2Low63.3Low225 Ų225129.6 Ų129.685%0.84966%0.659SS**  trans-42.2118.9175.3-159.6176.4-178.2179.9-0.3107.8M4 K8M4-R6 PolarHBondContact O-N 2.9Å; R6-K8 PolarHBondContact O-N 2.75Å
7S60.8Low63.4Low64 Ų64128.2 Ų128.245%0.44866%0.662SS.*  trans-44.9135.4168.6-64.80000107.8T5 T9 N81T5-S7 PolarHBondContact O-N 3.2Å; T5-S7 VanDerWaalsContact O-N 3.11Å; S7-T9 PolarHBondContact O-N 3.27Å; S7-N81 WeakPolarHBondContact CB-OD1 3.17Å; S7-N81 PolarHBondContact OG-OD1 2.83Å
8K58.3Low64.1Low129 Ų129125 Ų12556%0.56164%0.644SS**  trans-46.4137171.8-77.5-175.2176.3173.10108R6 F10 E80R6-K8 PolarHBondContact O-N 2.75Å; K8-F10 PolarHBondContact O-N 2.93Å; K8-F10 VanDerWaalsContact O-N 3.13Å; K8-E80 HydrophobicContact CD-CG 4.46Å; K8-E80 VanDerWaalsContact CE-CD 3.45Å; K8-E80 WeakPolarHBondContact CE-OE1 3.23Å; K8-E80 IonicContact NZ-OE1 3.62Å; K8-E80 PolarHBondContact NZ-OE1 3.23Å; K8-E80 IonicContact NZ-OE2 3.51Å; K8-E80 PolarHBondContact NZ-OE2 2.87Å
9T66.6Low65.5Low108 Ų108124.6 Ų124.666%0.66363%0.633SS**SBendtrans-64-13.8176.641.80000112.7S7S7-T9 PolarHBondContact O-N 3.27Å
10F74.5Confident67Low174 Ų174118.7 Ų118.776%0.76360%0.603SS**  trans-121.5112-177.5-58.4-78.9000109.9K8K8-F10 PolarHBondContact O-N 2.93Å; K8-F10 VanDerWaalsContact O-N 3.13Å
11Q76.5Confident68.4Low58 Ų58113.1 Ų113.127%0.27158%0.575SS.*  trans-104.8142.9163.4-69.2-178.5-9.100107.9Y13 N56 N81Q11-Y13 HydrophobicContact CB-CD2 4.37Å; Q11-Y13 HydrophobicContact CB-CE2 3.87Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.39Å; Q11-Y13 PolarHBondContact O-N 3.24Å; Q11-Y13 PolarHBondContact OE1-OH 3.27Å; Q11-N56 WeakPolarHBondContact CA-OD1 3.2Å; Q11-N81 PolarHBondContact NE2-OD1 3.38Å
12A81Confident70.9Confident45 Ų45102 Ų10237%0.37252%0.521SS..PPolyproline II helixtrans-75.3118.9167.700000108.3V55 N56A12-V55 HydrophobicContact CB-CB 4.01Å; A12-V55 HydrophobicContact CB-CG1 4.22Å; A12-V55 HydrophobicContact CB-CG2 4.45Å; A12-N56 PolarHBondContact N-OD1 2.92Å; A12-N56 PolarHBondContact O-ND2 2.86Å
13Y79.8Confident73.4Confident174 Ų17494.9 Ų94.968%0.68248%0.478SS*.PPolyproline II helixtrans-97.4117.5171.3-71.2-90.2000108.5Q11Q11-Y13 HydrophobicContact CB-CD2 4.37Å; Q11-Y13 HydrophobicContact CB-CE2 3.87Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.39Å; Q11-Y13 PolarHBondContact O-N 3.24Å; Q11-Y13 PolarHBondContact OE1-OH 3.27Å
14L79.9Confident75.8Confident34 Ų3489.4 Ų89.418%0.17846%0.457CS..PPolyproline II helixtrans-77144.8172-59.8172.7000109.2T20 H29 N32 V55L14-T20 HydrophobicContact CB-CG2 3.84Å; L14-T20 HydrophobicContact CD1-CG2 3.9Å; L14-H29 HydrophobicContact CD1-CB 4.18Å; L14-H29 HydrophobicContact CG-CB 4.3Å; L14-H29 PolarHBondContact N-ND1 3.18Å; L14-H29 VanDerWaalsContact N-ND1 3.16Å; L14-N32 HydrophobicContact CD1-CB 4.07Å; L14-V55 HydrophobicContact CD1-CG2 4.23Å; L14-V55 HydrophobicContact CD2-CG2 4.47Å; L14-V55 HydrophobicContact CG-CG2 4.31Å
15P76.9Confident78Confident75 Ų7585.7 Ų85.749%0.48744%0.437SS..PPolyproline II helixtrans-57.4138.2-179.6-21.331.3000112.3C17 H18P15-C17 PolarHBondContact O-N 3Å; P15-H18 PolarHBondContact O-N 3.21Å
16S66.8Low80.1Confident104 Ų10482 Ų8273%0.72742%0.416SS*.THydrogen-bonded Turntrans-63.4-23.1-176-39.30000114.2H18S16-H18 PolarHBondContact O-N 3.29Å
17C64.8Low82Confident105 Ų10578.6 Ų78.671%0.70940%0.403SS*.THydrogen-bonded Turntrans-76.7-0.5-178.857.80000114.3P15P15-C17 PolarHBondContact O-N 3Å
18H76.9Confident83.7Confident71 Ų7175.7 Ų75.733%0.32938%0.382SS..SBendtrans-108.3148.1176.9-70.7-103.6000111.1P15 S16 T20 D34P15-H18 PolarHBondContact O-N 3.21Å; S16-H18 PolarHBondContact O-N 3.29Å; H18-T20 PolarHBondContact O-N 3.29Å; H18-D34 IonicContact CE1-OD2 3.61Å; H18-D34 IonicContact ND1-OD2 3Å; H18-D34 PolarHBondContact ND1-OD2 3.36Å
19R90.5Very high85.4Confident118 Ų11871.4 Ų71.445%0.44536%0.364SS..  trans-63.4122.7167.4-63.1177.4-70.3-171.4-0.9107.3N32 H33 D115 N116R19-N32 PolarHBondContact O-OD1 3.06Å; R19-H33 HydrophobicContact CB-CB 3.57Å; R19-H33 PolarHBondContact NH2-CD2 2.86Å; R19-H33 WeakPolarHBondContact O-CB 3.1Å; R19-H33 PolarHBondContact O-N 3.38Å; R19-D115 CarbonylContact C-O 3.58Å; R19-D115 VanDerWaalsContact CA-O 3.26Å; R19-D115 WeakPolarHBondContact CA-O 3.41Å; R19-N116 WeakPolarHBondContact CG-O 3.49Å
20T94.7Very high86.9Confident5 Ų566.3 Ų66.33%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-123.9163-17857.70000110.8L14 H18 K114 D115L14-T20 HydrophobicContact CB-CG2 3.84Å; L14-T20 HydrophobicContact CD1-CG2 3.9Å; H18-T20 PolarHBondContact O-N 3.29Å; T20-K114 CarbonylContact O-C 3.47Å; T20-K114 WeakPolarHBondContact O-CA 3.48Å; T20-D115 PolarHBondContact N-O 3.45Å; T20-D115 PolarHBondContact O-N 3.23Å
21Y96.8Very high87.9Confident3 Ų358.1 Ų58.11%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-118.9132.2172.2-66.3-76000109.3L30 A31 H33 Y49 F51 M112 I113 K114Y21-L30 WeakPolarHBondContact O-CA 3.39Å; Y21-L30 PolarHBondContact O-N 3.29Å; Y21-A31 HydrophobicContact CD2-CB 4.4Å; Y21-A31 PolarHBondContact N-O 3.16Å; Y21-A31 PolarHBondContact O-N 3.02Å; Y21-H33 HydrophobicContact CE2-CB 4.19Å; Y21-H33 AromaticContact CE2-ND1 3.61Å; Y21-H33 AromaticContact CZ-ND1 3.58Å; Y21-H33 PolarHBondContact OH-CE1 3.34Å; Y21-H33 PolarHBondContact OH-ND1 3.17Å; Y21-Y49 HydrophobicContact CE1-CD2 4.22Å; Y21-Y49 HydrophobicContact CE1-CE2 4.07Å; Y21-F51 AromaticContact CD2-CE1 3.47Å; Y21-F51 HydrophobicContact CD2-CE1 3.47Å; Y21-F51 VanDerWaalsContact CD2-CE1 3.47Å; Y21-F51 AromaticContact CD2-CZ 3.55Å; Y21-F51 HydrophobicContact CD2-CZ 3.55Å; Y21-F51 AromaticContact CE2-CE1 3.5Å; Y21-F51 HydrophobicContact CE2-CE1 3.5Å; Y21-F51 AromaticContact CE2-CZ 3.64Å; Y21-F51 HydrophobicContact CE2-CZ 3.64Å; Y21-F51 HydrophobicContact CG-CE1 4.38Å; Y21-F51 HydrophobicContact CG-CZ 4.04Å; Y21-M112 WeakPolarHBondContact CB-SD 3.46Å; Y21-M112 HydrophobicContact CD1-CE 3.38Å; Y21-M112 HydrophobicContact CD1-CG 3.99Å; Y21-M112 HydrophobicContact CD1-SD 3.66Å; Y21-M112 HydrophobicContact CE1-CE 3.77Å; Y21-M112 HydrophobicContact CG-CE 3.91Å; Y21-M112 HydrophobicContact CG-CG 4.23Å; Y21-M112 HydrophobicContact CG-SD 3.63Å; Y21-I113 CarbonylContact C-O 3.5Å; Y21-I113 WeakPolarHBondContact CA-O 3.11Å; Y21-K114 HydrophobicContact CD1-CB 3.84Å; Y21-K114 HydrophobicContact CD1-CG 3.97Å; Y21-K114 HydrophobicContact CE1-CB 3.74Å; Y21-K114 HydrophobicContact CE1-CD 3.94Å; Y21-K114 HydrophobicContact CE1-CG 3.62Å
22S96.4Very high88.8Confident8 Ų856.6 Ų56.66%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-130.9154.1-174.6-64.20000111.2I24 A28 H29 M112 I113S22-I24 PolarHBondContact O-N 2.83Å; S22-A28 CarbonylContact C-O 3.52Å; S22-A28 VanDerWaalsContact CA-O 3.3Å; S22-A28 WeakPolarHBondContact CA-O 3.26Å; S22-H29 PolarHBondContact OG-CD2 2.86Å; S22-H29 VanDerWaalsContact OG-CD2 3.25Å; S22-M112 CarbonylContact O-C 3.52Å; S22-M112 WeakPolarHBondContact O-CA 3.38Å; S22-I113 PolarHBondContact N-O 3.26Å; S22-I113 PolarHBondContact O-N 3.01Å
23C97.6Very high89.4Confident0 Ų055.7 Ų55.70%028%0.279CS..EExtended strand (participates in β ladder)trans-63129.7176179.80000110.1H25 R27 A28 L30 C82C23-H25 PolarHBondContact O-N 3.25Å; C23-R27 WeakPolarHBondContact O-CA 3.08Å; C23-R27 PolarHBondContact O-N 2.99Å; C23-A28 PolarHBondContact N-O 2.83Å; C23-L30 HydrophobicContact CB-CD1 4.01Å; C23-L30 HydrophobicContact CB-CD2 4.3Å; C23-L30 HydrophobicContact CB-CG 4.22Å; C23-C82 VanDerWaalsContact SG-SG 3.64Å
24I97.2Very high90.1Very high75 Ų7552.3 Ų52.339%0.38527%0.273SS..THydrogen-bonded Turntrans-63.9-30.4-179.8-165.9169.4000112.6S22 H111S22-I24 PolarHBondContact O-N 2.83Å; I24-H111 PolarHBondContact N-O 3.37Å
25H96.2Very high90.9Very high113 Ų11353.6 Ų53.652%0.52328%0.278SS..THydrogen-bonded Turntrans-83.9-31.2-173.3-58.1-72.5000114.2C23 T84 H111C23-H25 PolarHBondContact O-N 3.25Å; H25-T84 VanDerWaalsContact CD2-CG2 3.5Å; H25-T84 WeakPolarHBondContact CD2-CG2 3.46Å; H25-T84 PolarHBondContact CD2-OG1 3.39Å; H25-H111 AromaticContact NE2-ND1 3.73Å
26C96Very high91.8Very high35 Ų3551.5 Ų51.524%0.23626%0.262CS..THydrogen-bonded Turntrans-136.23-174.172.10000115A28 N81 C82C26-A28 PolarHBondContact O-N 3.38Å; C26-N81 VanDerWaalsContact CB-ND2 3.26Å; C26-N81 WeakPolarHBondContact CB-ND2 3.33Å; C26-N81 PolarHBondContact SG-ND2 3.37Å; C26-C82 HydrophobicContact CB-CB 3.85Å; C26-C82 VanDerWaalsContact SG-SG 3.61Å
27R94.8Very high93.3Very high153 Ų15350.5 Ų50.558%0.57725%0.248SC*.  trans62.44.1178.2-52.2-59.8-177.4150.6-2.6116.2C23 H29C23-R27 WeakPolarHBondContact O-CA 3.08Å; C23-R27 PolarHBondContact O-N 2.99Å; R27-H29 PolarHBondContact O-N 2.82Å
28A94.7Very high94.9Very high2 Ų247 Ų472%0.01723%0.225CC..  trans-57.1132171.400000110.6S22 C23 C26 N81S22-A28 CarbonylContact C-O 3.52Å; S22-A28 VanDerWaalsContact CA-O 3.3Å; S22-A28 WeakPolarHBondContact CA-O 3.26Å; C23-A28 PolarHBondContact N-O 2.83Å; C26-A28 PolarHBondContact O-N 3.38Å; A28-N81 HydrophobicContact CB-CB 4.2Å
29H95.1Very high95.8Very high40 Ų4048.7 Ų48.719%0.18523%0.231CC..EExtended strand (participates in β ladder)trans-62.7137.9176.9-66.3-169.6000109.3L14 S22 R27 V55 N56L14-H29 HydrophobicContact CD1-CB 4.18Å; L14-H29 HydrophobicContact CG-CB 4.3Å; L14-H29 PolarHBondContact N-ND1 3.18Å; L14-H29 VanDerWaalsContact N-ND1 3.16Å; S22-H29 PolarHBondContact OG-CD2 2.86Å; S22-H29 VanDerWaalsContact OG-CD2 3.25Å; R27-H29 PolarHBondContact O-N 2.82Å; H29-V55 HydrophobicContact CB-CG2 4.34Å; H29-N56 WeakPolarHBondContact O-CB 3.28Å; H29-N56 PolarHBondContact O-ND2 2.82Å
30L97.3Very high96.1Very high0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-114.8-40.6-178.2-63.4179.1000111.8Y21 C23 V54 V55 V57 L86 I107 M112Y21-L30 WeakPolarHBondContact O-CA 3.39Å; Y21-L30 PolarHBondContact O-N 3.29Å; C23-L30 HydrophobicContact CB-CD1 4.01Å; C23-L30 HydrophobicContact CB-CD2 4.3Å; C23-L30 HydrophobicContact CB-CG 4.22Å; L30-V54 CarbonylContact O-C 3.54Å; L30-V54 WeakPolarHBondContact O-CA 3.33Å; L30-V54 VanDerWaalsContact O-CB 3.31Å; L30-V54 WeakPolarHBondContact O-CB 3.46Å; L30-V55 WeakPolarHBondContact CA-O 3.26Å; L30-V55 PolarHBondContact O-N 2.74Å; L30-V57 HydrophobicContact CD2-CG2 3.96Å; L30-L86 HydrophobicContact CD1-CD1 3.85Å; L30-L86 HydrophobicContact CD1-CD2 4.08Å; L30-L86 HydrophobicContact CD2-CD1 3.58Å; L30-L86 HydrophobicContact CG-CD1 4.35Å; L30-I107 HydrophobicContact CB-CD1 4.18Å; L30-M112 HydrophobicContact CD1-CG 4.4Å
31A96.7Very high96.2Very high2 Ų249.5 Ų49.52%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-156.6151.4-179.500000111.5Y21 F51 V54Y21-A31 HydrophobicContact CD2-CB 4.4Å; Y21-A31 PolarHBondContact N-O 3.16Å; Y21-A31 PolarHBondContact O-N 3.02Å; A31-F51 HydrophobicContact CB-CD1 3.6Å; A31-F51 HydrophobicContact CB-CE1 3.67Å; A31-F51 HydrophobicContact CB-CG 4.09Å; A31-F51 HydrophobicContact CB-CZ 4.22Å; A31-V54 HydrophobicContact CB-CG1 4.4Å
32N94.1Very high96.2Very high26 Ų2654.4 Ų54.414%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-78.3148163.4-169.8-26.7000108.7L14 R19 D34 E35L14-N32 HydrophobicContact CD1-CB 4.07Å; R19-N32 PolarHBondContact O-OD1 3.06Å; N32-D34 PolarHBondContact ND2-OD2 3.07Å; N32-D34 PolarHBondContact O-N 2.99Å; N32-D34 PolarHBondContact OD1-N 3.04Å; N32-D34 PolarHBondContact OD1-OD2 3.39Å; N32-E35 HydrophobicContact CB-CG 4.29Å; N32-E35 PolarHBondContact O-N 3.36Å
33H94.8Very high96Very high27 Ų2754.6 Ų54.613%0.12528%0.278CS..G310 helixtrans-58.9-29.5168.7-166.782000113.5R19 Y21 E35 L36R19-H33 HydrophobicContact CB-CB 3.57Å; R19-H33 PolarHBondContact NH2-CD2 2.86Å; R19-H33 WeakPolarHBondContact O-CB 3.1Å; R19-H33 PolarHBondContact O-N 3.38Å; Y21-H33 HydrophobicContact CE2-CB 4.19Å; Y21-H33 AromaticContact CE2-ND1 3.61Å; Y21-H33 AromaticContact CZ-ND1 3.58Å; Y21-H33 PolarHBondContact OH-CE1 3.34Å; Y21-H33 PolarHBondContact OH-ND1 3.17Å; H33-E35 PolarHBondContact O-N 3.39Å; H33-L36 WeakPolarHBondContact O-CB 3.37Å; H33-L36 PolarHBondContact O-N 3.28Å
34D93.9Very high95.7Very high102 Ų10259.6 Ų59.655%0.54531%0.313SS..G310 helixtrans-66.7-20.9177.7-58.1-30000112.3H18 N32 L36H18-D34 IonicContact CE1-OD2 3.61Å; H18-D34 IonicContact ND1-OD2 3Å; H18-D34 PolarHBondContact ND1-OD2 3.36Å; N32-D34 PolarHBondContact ND2-OD2 3.07Å; N32-D34 PolarHBondContact O-N 2.99Å; N32-D34 PolarHBondContact OD1-N 3.04Å; N32-D34 PolarHBondContact OD1-OD2 3.39Å; D34-L36 VanDerWaalsContact C-N 3.32Å
35E96.1Very high95.6Very high61 Ų6161.8 Ų61.829%0.28532%0.321SS..G310 helixtrans-85.2-2.1174.2-62.1-63143.700113N32 H33 I37 F51 N52 S53N32-E35 HydrophobicContact CB-CG 4.29Å; N32-E35 PolarHBondContact O-N 3.36Å; H33-E35 PolarHBondContact O-N 3.39Å; E35-I37 PolarHBondContact O-N 3.18Å; E35-F51 HydrophobicContact CB-CD1 4.41Å; E35-F51 CarbonylContact O-C 3.54Å; E35-F51 VanDerWaalsContact O-CA 3.28Å; E35-F51 WeakPolarHBondContact O-CA 3.32Å; E35-N52 PolarHBondContact O-N 3.4Å; E35-N52 WeakPolarHBondContact OE2-CB 3.21Å; E35-N52 PolarHBondContact OE2-ND2 3.15Å; E35-S53 VanDerWaalsContact OE2-CB 3.23Å; E35-S53 WeakPolarHBondContact OE2-CB 3.35Å; E35-S53 PolarHBondContact OE2-N 3.44Å; E35-S53 VanDerWaalsContact OE2-N 3.17Å
36L97.2Very high95.5Very high32 Ų3257.3 Ų57.317%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-74.2118.2179.7178.969.5000110.9H33 D34 K39 Y49 F51H33-L36 WeakPolarHBondContact O-CB 3.37Å; H33-L36 PolarHBondContact O-N 3.28Å; D34-L36 VanDerWaalsContact C-N 3.32Å; L36-K39 HydrophobicContact CD1-CG 4.42Å; L36-K39 HydrophobicContact CD2-CD 4.26Å; L36-K39 HydrophobicContact CD2-CG 3.85Å; L36-Y49 HydrophobicContact CD1-CD2 3.83Å; L36-Y49 HydrophobicContact CD1-CG 3.84Å; L36-F51 HydrophobicContact CB-CD1 4.24Å; L36-F51 HydrophobicContact CB-CE1 3.98Å; L36-F51 HydrophobicContact CD1-CD1 4.27Å; L36-F51 HydrophobicContact CD1-CE1 3.84Å; L36-F51 HydrophobicContact CD1-CZ 3.98Å
37I97.4Very high95.6Very high82 Ų8263.5 Ų63.542%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-88.9-47.6176.5-62.3172000111.1E35 L50 N52 K104E35-I37 PolarHBondContact O-N 3.18Å; I37-L50 HydrophobicContact CB-CB 4.46Å; I37-L50 HydrophobicContact CB-CD2 4.07Å; I37-L50 HydrophobicContact CB-CG 4.26Å; I37-L50 HydrophobicContact CD1-CD2 4.19Å; I37-L50 HydrophobicContact CD1-CG 4.31Å; I37-L50 HydrophobicContact CG2-CD2 3.9Å; I37-L50 PolarHBondContact N-O 3.31Å; I37-N52 HydrophobicContact CD1-CB 3.78Å; I37-N52 HydrophobicContact CG1-CB 4.02Å; I37-K104 HydrophobicContact CD1-CD 3.61Å; I37-K104 HydrophobicContact CD1-CG 4.12Å
38S97.6Very high95.7Very high32 Ų3256.2 Ų56.222%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-156147.5-173.6179.20000112.6S40 Y49 L50S38-S40 PolarHBondContact OG-N 3.29Å; S38-Y49 WeakPolarHBondContact O-CA 3.5Å; S38-L50 PolarHBondContact N-O 3.28Å; S38-L50 PolarHBondContact O-N 3.13Å
39K97.1Very high95.9Very high107 Ų10757.6 Ų57.647%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-1031.9176.8-61.2-176.4-175.4170.30113.7L36 F41 Y49L36-K39 HydrophobicContact CD1-CG 4.42Å; L36-K39 HydrophobicContact CD2-CD 4.26Å; L36-K39 HydrophobicContact CD2-CG 3.85Å; K39-F41 VanDerWaalsContact C-N 3.3Å; K39-F41 PolarHBondContact O-N 2.95Å; K39-Y49 VanDerWaalsContact CA-CD1 3.49Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.47Å; K39-Y49 VanDerWaalsContact CB-CE1 3.47Å; K39-Y49 HydrophobicContact CD-CE1 4.03Å; K39-Y49 HydrophobicContact CD-CE2 4.37Å; K39-Y49 HydrophobicContact CG-CD1 3.83Å; K39-Y49 HydrophobicContact CG-CD2 4.44Å; K39-Y49 HydrophobicContact CG-CE1 3.56Å; K39-Y49 HydrophobicContact CG-CE2 4.21Å; K39-Y49 HydrophobicContact CG-CG 4.28Å
40S96Very high96.1Very high112 Ų11255.7 Ų55.778%0.78329%0.293SS*.EExtended strand (participates in β ladder)trans-94.327.6-169.8-52.30000113.2S38S38-S40 PolarHBondContact OG-N 3.29Å
41F97.2Very high96.1Very high27 Ų2755.7 Ų55.712%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-106.5157.4-178.5-75.3-103.1000111.2K39 A48 L50 Y100 K101 I106K39-F41 VanDerWaalsContact C-N 3.3Å; K39-F41 PolarHBondContact O-N 2.95Å; F41-A48 CarbonylContact C-O 3.57Å; F41-A48 HydrophobicContact CB-CB 4.45Å; F41-A48 VanDerWaalsContact CB-O 3.32Å; F41-A48 WeakPolarHBondContact CB-O 3.47Å; F41-A48 PolarHBondContact N-O 2.74Å; F41-A48 PolarHBondContact O-N 2.9Å; F41-L50 HydrophobicContact CD2-CB 3.78Å; F41-L50 HydrophobicContact CE2-CB 3.68Å; F41-L50 HydrophobicContact CE2-CD2 3.81Å; F41-L50 HydrophobicContact CE2-CG 4.28Å; F41-L50 HydrophobicContact CG-CB 4.38Å; F41-L50 HydrophobicContact CZ-CB 4.17Å; F41-L50 HydrophobicContact CZ-CD1 4.43Å; F41-L50 HydrophobicContact CZ-CD2 3.72Å; F41-L50 HydrophobicContact CZ-CG 4.34Å; F41-Y100 HydrophobicContact CZ-CE2 4.37Å; F41-K101 HydrophobicContact CE1-CD 4.18Å; F41-I106 HydrophobicContact CB-CD1 3.9Å; F41-I106 HydrophobicContact CD1-CD1 3.44Å; F41-I106 VanDerWaalsContact CD1-CD1 3.44Å; F41-I106 HydrophobicContact CD2-CD1 4.49Å; F41-I106 HydrophobicContact CE1-CD1 4.06Å; F41-I106 HydrophobicContact CG-CD1 3.7Å
42Q95.9Very high96.2Very high106 Ų10659.3 Ų59.350%0.49531%0.312SS..EExtended strand (participates in β ladder)trans-129.5130-179.2-17473.713.200108.8G46Q42-G46 CarbonylContact C-O 3.56Å; Q42-G46 WeakPolarHBondContact CA-O 3.35Å; Q42-G46 VanDerWaalsContact CD-C 3.43Å; Q42-G46 VanDerWaalsContact NE2-C 3.29Å; Q42-G46 VanDerWaalsContact NE2-CA 3.26Å; Q42-G46 PolarHBondContact NE2-O 3.37Å; Q42-G46 PolarHBondContact OE1-O 3.29Å
43G93.1Very high96.4Very high12 Ų1260.7 Ų60.712%0.12432%0.324CS..EExtended strand (participates in β ladder)trans-103.2-172.7170.700000112.9Q45 G46 E108G43-Q45 VanDerWaalsContact C-N 3.26Å; G43-Q45 PolarHBondContact O-N 3.12Å; G43-G46 PolarHBondContact N-O 3.43Å; G43-E108 WeakPolarHBondContact CA-OE2 3.33Å
44S92Very high96.5Very high105 Ų10560.4 Ų60.473%0.73432%0.324SS*.THydrogen-bonded Turntrans-67.5-28.1-178.163.90000112.9E108S44-E108 PolarHBondContact N-OE1 3.1Å; S44-E108 VanDerWaalsContact N-OE1 3.13Å; S44-E108 PolarHBondContact N-OE2 3.17Å; S44-E108 VanDerWaalsContact N-OE2 3.15Å; S44-E108 PolarHBondContact OG-OE1 3.26Å
45Q93.6Very high96.6Very high121 Ų12157.4 Ų57.457%0.56531%0.309SS*.THydrogen-bonded Turntrans-111.79.9-175.3-51.6-17530.900112.8G43 E108 A110 H111G43-Q45 VanDerWaalsContact C-N 3.26Å; G43-Q45 PolarHBondContact O-N 3.12Å; Q45-E108 WeakPolarHBondContact CA-OE2 3.3Å; Q45-E108 VanDerWaalsContact CB-OE2 3.32Å; Q45-E108 WeakPolarHBondContact CB-OE2 3.49Å; Q45-E108 PolarHBondContact N-OE2 2.86Å; Q45-A110 HydrophobicContact CB-CB 4.27Å; Q45-H111 PolarHBondContact NE2-NE2 3.17Å; Q45-H111 VanDerWaalsContact NE2-NE2 3.15Å; Q45-H111 PolarHBondContact OE1-NE2 3.11Å
46G95.4Very high96.7Very high20 Ų2055.5 Ų55.521%0.20630%0.301CS..EExtended strand (participates in β ladder)trans132.6-146.1176.700000113.7Q42 G43Q42-G46 CarbonylContact C-O 3.56Å; Q42-G46 WeakPolarHBondContact CA-O 3.35Å; Q42-G46 VanDerWaalsContact CD-C 3.43Å; Q42-G46 VanDerWaalsContact NE2-C 3.29Å; Q42-G46 VanDerWaalsContact NE2-CA 3.26Å; Q42-G46 PolarHBondContact NE2-O 3.37Å; Q42-G46 PolarHBondContact OE1-O 3.29Å; G43-G46 PolarHBondContact N-O 3.43Å
47R97.5Very high96.7Very high165 Ų16555.5 Ų55.562%0.62330%0.302SS*.EExtended strand (participates in β ladder)trans-63.5142.1-180-69.2-173.3-66.7170.8-2.3111.1L109R47-L109 HydrophobicContact CB-CD1 4.46Å; R47-L109 HydrophobicContact CB-CD2 4.12Å; R47-L109 WeakPolarHBondContact O-CD1 3.15Å; R47-L109 PolarHBondContact O-N 2.95Å
48A98.1Very high96.7Very high0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-137.9155.4176.300000110.8F41 I106 I107 E108F41-A48 CarbonylContact C-O 3.57Å; F41-A48 HydrophobicContact CB-CB 4.45Å; F41-A48 VanDerWaalsContact CB-O 3.32Å; F41-A48 WeakPolarHBondContact CB-O 3.47Å; F41-A48 PolarHBondContact N-O 2.74Å; F41-A48 PolarHBondContact O-N 2.9Å; A48-I106 HydrophobicContact CB-CG2 3.6Å; A48-I107 WeakPolarHBondContact CA-O 3.5Å; A48-E108 HydrophobicContact CB-CG 4.19Å
49Y98.5Very high96.7Very high31 Ų3153.1 Ų53.112%0.12229%0.293CS..EExtended strand (participates in β ladder)trans-114.2143.5-180-71.3-5000110.7Y21 L36 S38 K39 F51 I106 I107 L109 M112Y21-Y49 HydrophobicContact CE1-CD2 4.22Å; Y21-Y49 HydrophobicContact CE1-CE2 4.07Å; L36-Y49 HydrophobicContact CD1-CD2 3.83Å; L36-Y49 HydrophobicContact CD1-CG 3.84Å; S38-Y49 WeakPolarHBondContact O-CA 3.5Å; K39-Y49 VanDerWaalsContact CA-CD1 3.49Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.47Å; K39-Y49 VanDerWaalsContact CB-CE1 3.47Å; K39-Y49 HydrophobicContact CD-CE1 4.03Å; K39-Y49 HydrophobicContact CD-CE2 4.37Å; K39-Y49 HydrophobicContact CG-CD1 3.83Å; K39-Y49 HydrophobicContact CG-CD2 4.44Å; K39-Y49 HydrophobicContact CG-CE1 3.56Å; K39-Y49 HydrophobicContact CG-CE2 4.21Å; K39-Y49 HydrophobicContact CG-CG 4.28Å; Y49-F51 HydrophobicContact CD2-CZ 4.2Å; Y49-I106 WeakPolarHBondContact O-CA 3.32Å; Y49-I107 PolarHBondContact N-O 2.85Å; Y49-I107 PolarHBondContact O-N 2.83Å; Y49-I107 VanDerWaalsContact O-N 3.09Å; Y49-L109 HydrophobicContact CD1-CD1 3.57Å; Y49-L109 HydrophobicContact CD2-CD1 3.99Å; Y49-L109 HydrophobicContact CE1-CD1 3.59Å; Y49-L109 HydrophobicContact CE1-CD2 4.09Å; Y49-L109 HydrophobicContact CE1-CG 4.42Å; Y49-L109 HydrophobicContact CE2-CD1 3.99Å; Y49-L109 HydrophobicContact CG-CD1 3.77Å; Y49-M112 HydrophobicContact CD2-CE 3.85Å; Y49-M112 HydrophobicContact CE2-CE 4.39Å
50L98.5Very high96.7Very high0 Ų049.2 Ų49.20%028%0.284CS..EExtended strand (participates in β ladder)trans-93.9123.6174.2-174.774.1000109.8I37 S38 F41 Y90 Y100 K104 Y105 I106I37-L50 HydrophobicContact CB-CB 4.46Å; I37-L50 HydrophobicContact CB-CD2 4.07Å; I37-L50 HydrophobicContact CB-CG 4.26Å; I37-L50 HydrophobicContact CD1-CD2 4.19Å; I37-L50 HydrophobicContact CD1-CG 4.31Å; I37-L50 HydrophobicContact CG2-CD2 3.9Å; I37-L50 PolarHBondContact N-O 3.31Å; S38-L50 PolarHBondContact N-O 3.28Å; S38-L50 PolarHBondContact O-N 3.13Å; F41-L50 HydrophobicContact CD2-CB 3.78Å; F41-L50 HydrophobicContact CE2-CB 3.68Å; F41-L50 HydrophobicContact CE2-CD2 3.81Å; F41-L50 HydrophobicContact CE2-CG 4.28Å; F41-L50 HydrophobicContact CG-CB 4.38Å; F41-L50 HydrophobicContact CZ-CB 4.17Å; F41-L50 HydrophobicContact CZ-CD1 4.43Å; F41-L50 HydrophobicContact CZ-CD2 3.72Å; F41-L50 HydrophobicContact CZ-CG 4.34Å; L50-Y90 HydrophobicContact CD1-CD2 4.35Å; L50-Y90 HydrophobicContact CD1-CE2 4.3Å; L50-Y100 HydrophobicContact CD2-CE2 4.2Å; L50-K104 HydrophobicContact CD1-CB 3.61Å; L50-K104 HydrophobicContact CG-CB 4.17Å; L50-Y105 CarbonylContact C-O 3.47Å; L50-Y105 WeakPolarHBondContact CA-O 3.5Å; L50-I106 HydrophobicContact CB-CD1 4.04Å; L50-I106 HydrophobicContact CD1-CD1 3.6Å; L50-I106 HydrophobicContact CD1-CG1 4.2Å; L50-I106 HydrophobicContact CG-CD1 4.46Å
51F98.5Very high96.8Very high0 Ų048.6 Ų48.60%028%0.277CS..EExtended strand (participates in β ladder)trans-115144.2178.3-66.3-84.7000111.6Y21 A31 E35 L36 Y49 V54 K104 Y105 I107 M112Y21-F51 AromaticContact CD2-CE1 3.47Å; Y21-F51 HydrophobicContact CD2-CE1 3.47Å; Y21-F51 VanDerWaalsContact CD2-CE1 3.47Å; Y21-F51 AromaticContact CD2-CZ 3.55Å; Y21-F51 HydrophobicContact CD2-CZ 3.55Å; Y21-F51 AromaticContact CE2-CE1 3.5Å; Y21-F51 HydrophobicContact CE2-CE1 3.5Å; Y21-F51 AromaticContact CE2-CZ 3.64Å; Y21-F51 HydrophobicContact CE2-CZ 3.64Å; Y21-F51 HydrophobicContact CG-CE1 4.38Å; Y21-F51 HydrophobicContact CG-CZ 4.04Å; A31-F51 HydrophobicContact CB-CD1 3.6Å; A31-F51 HydrophobicContact CB-CE1 3.67Å; A31-F51 HydrophobicContact CB-CG 4.09Å; A31-F51 HydrophobicContact CB-CZ 4.22Å; E35-F51 HydrophobicContact CB-CD1 4.41Å; E35-F51 CarbonylContact O-C 3.54Å; E35-F51 VanDerWaalsContact O-CA 3.28Å; E35-F51 WeakPolarHBondContact O-CA 3.32Å; L36-F51 HydrophobicContact CB-CD1 4.24Å; L36-F51 HydrophobicContact CB-CE1 3.98Å; L36-F51 HydrophobicContact CD1-CD1 4.27Å; L36-F51 HydrophobicContact CD1-CE1 3.84Å; L36-F51 HydrophobicContact CD1-CZ 3.98Å; Y49-F51 HydrophobicContact CD2-CZ 4.2Å; F51-V54 HydrophobicContact CB-CG1 4.02Å; F51-K104 WeakPolarHBondContact O-CB 3.49Å; F51-Y105 PolarHBondContact N-O 2.93Å; F51-Y105 PolarHBondContact O-N 2.82Å; F51-I107 HydrophobicContact CD2-CB 4.35Å; F51-I107 HydrophobicContact CD2-CD1 4.17Å; F51-I107 HydrophobicContact CD2-CG1 4.3Å; F51-I107 HydrophobicContact CE2-CB 4.12Å; F51-I107 HydrophobicContact CE2-CD1 4.29Å; F51-I107 HydrophobicContact CE2-CG1 4.47Å; F51-M112 HydrophobicContact CE2-CE 4.13Å; F51-M112 HydrophobicContact CE2-SD 4.05Å; F51-M112 HydrophobicContact CZ-CE 3.99Å; F51-M112 HydrophobicContact CZ-SD 4Å
52N98.1Very high96.8Very high78 Ų7850.3 Ų50.342%0.41730%0.296SS..SBendtrans-72.7-47173.4-178.665.6000112E35 I37 K104E35-N52 PolarHBondContact O-N 3.4Å; E35-N52 WeakPolarHBondContact OE2-CB 3.21Å; E35-N52 PolarHBondContact OE2-ND2 3.15Å; I37-N52 HydrophobicContact CD1-CB 3.78Å; I37-N52 HydrophobicContact CG1-CB 4.02Å; N52-K104 HydrophobicContact CB-CD 4.47Å; N52-K104 VanDerWaalsContact OD1-CE 3.3Å; N52-K104 WeakPolarHBondContact OD1-CE 3.41Å
53S97.2Very high96.9Very high54 Ų5449.9 Ų49.938%0.37829%0.294SS..  trans-137.6154.6177.2-167.40000111.4E35E35-S53 VanDerWaalsContact OE2-CB 3.23Å; E35-S53 WeakPolarHBondContact OE2-CB 3.35Å; E35-S53 PolarHBondContact OE2-N 3.44Å; E35-S53 VanDerWaalsContact OE2-N 3.17Å
54V97.7Very high97.1Very high21 Ų2155.5 Ų55.513%0.12732%0.317CS..  trans-139.9157.4-179.7-61.30000110.3L30 A31 F51 V57 Y105 I107L30-V54 CarbonylContact O-C 3.54Å; L30-V54 WeakPolarHBondContact O-CA 3.33Å; L30-V54 VanDerWaalsContact O-CB 3.31Å; L30-V54 WeakPolarHBondContact O-CB 3.46Å; A31-V54 HydrophobicContact CB-CG1 4.4Å; F51-V54 HydrophobicContact CB-CG1 4.02Å; V54-V57 HydrophobicContact CB-CB 4.49Å; V54-V57 HydrophobicContact CB-CG2 4.05Å; V54-V57 HydrophobicContact CG2-CB 3.84Å; V54-V57 HydrophobicContact CG2-CG1 4.18Å; V54-V57 HydrophobicContact CG2-CG2 3.91Å; V54-Y105 HydrophobicContact CB-CG 4.4Å; V54-Y105 HydrophobicContact CG1-CD1 4.36Å; V54-Y105 HydrophobicContact CG1-CD2 4.09Å; V54-Y105 HydrophobicContact CG1-CG 3.8Å; V54-Y105 HydrophobicContact CG2-CD1 3.49Å; V54-Y105 VanDerWaalsContact CG2-CD1 3.49Å; V54-Y105 HydrophobicContact CG2-CD2 3.97Å; V54-Y105 HydrophobicContact CG2-CE1 3.6Å; V54-Y105 HydrophobicContact CG2-CE2 4.1Å; V54-Y105 HydrophobicContact CG2-CG 3.68Å; V54-I107 HydrophobicContact CG1-CD1 3.91Å
55V96.7Very high97.4Very high40 Ų4053.9 Ų53.924%0.24230%0.295CS..SBendtrans-127.7154.8179.5-65.30000110.8A12 L14 H29 L30 V57A12-V55 HydrophobicContact CB-CB 4.01Å; A12-V55 HydrophobicContact CB-CG1 4.22Å; A12-V55 HydrophobicContact CB-CG2 4.45Å; L14-V55 HydrophobicContact CD1-CG2 4.23Å; L14-V55 HydrophobicContact CD2-CG2 4.47Å; L14-V55 HydrophobicContact CG-CG2 4.31Å; H29-V55 HydrophobicContact CB-CG2 4.34Å; L30-V55 WeakPolarHBondContact CA-O 3.26Å; L30-V55 PolarHBondContact O-N 2.74Å; V55-V57 PolarHBondContact O-N 3.23Å
56N97.1Very high97.5Very high21 Ų2154 Ų5411%0.11230%0.304CS..SBendtrans55.731.9-178.7-48.2-56.9000113.6Q11 A12 H29 E80Q11-N56 WeakPolarHBondContact CA-OD1 3.2Å; A12-N56 PolarHBondContact N-OD1 2.92Å; A12-N56 PolarHBondContact O-ND2 2.86Å; H29-N56 WeakPolarHBondContact O-CB 3.28Å; H29-N56 PolarHBondContact O-ND2 2.82Å; N56-E80 WeakPolarHBondContact O-CB 3.31Å; N56-E80 PolarHBondContact O-N 3.36Å
57V97.6Very high97.4Very high31 Ų3155.3 Ų55.319%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-116.2130.1179.3172.30000109.3L30 V54 V55 I77 Y78 L86L30-V57 HydrophobicContact CD2-CG2 3.96Å; V54-V57 HydrophobicContact CB-CB 4.49Å; V54-V57 HydrophobicContact CB-CG2 4.05Å; V54-V57 HydrophobicContact CG2-CB 3.84Å; V54-V57 HydrophobicContact CG2-CG1 4.18Å; V54-V57 HydrophobicContact CG2-CG2 3.91Å; V55-V57 PolarHBondContact O-N 3.23Å; V57-I77 HydrophobicContact CG1-CB 3.59Å; V57-I77 HydrophobicContact CG1-CD1 3.95Å; V57-I77 HydrophobicContact CG1-CG1 4.29Å; V57-I77 HydrophobicContact CG1-CG2 4.01Å; V57-Y78 WeakPolarHBondContact CA-O 3.44Å; V57-L86 HydrophobicContact CG2-CD1 3.97Å
58G97Very high97.2Very high8 Ų855.1 Ų55.18%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-94.6152.2167.600000111.1I77 Y78G58-I77 VanDerWaalsContact O-CA 3.27Å; G58-I77 WeakPolarHBondContact O-CA 3.32Å; G58-Y78 PolarHBondContact N-O 3Å; G58-Y78 PolarHBondContact O-N 3.21Å
59C97.5Very high96.9Very high56 Ų5657.5 Ų57.538%0.37833%0.331SS..EExtended strand (participates in β ladder)trans-119.6129.6-179-164.40000109.5A75 I77C59-A75 WeakPolarHBondContact SG-CB 3.34Å; C59-I77 HydrophobicContact CB-CG2 4.49Å
60G97.3Very high96.8Very high26 Ų2656.9 Ų56.927%0.26833%0.334SS..EExtended strand (participates in β ladder)trans-76.5-174.1171.300000112.6D76G60-D76 PolarHBondContact N-O 2.91Å
61P97.7Very high96.7Very high99 Ų9959.9 Ų59.964%0.64335%0.35SS*.EExtended strand (participates in β ladder)trans-66.1151.6171.730.3-34.6000111.1
62A97.8Very high96.7Very high63 Ų6359.9 Ų59.952%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-77.8136.817400000110.7V74 A75 E91A62-V74 WeakPolarHBondContact CA-O 3.32Å; A62-A75 HydrophobicContact CB-CB 4.47Å; A62-E91 HydrophobicContact CB-CB 4.34Å; A62-E91 HydrophobicContact CB-CG 3.89Å
63E97.9Very high96.7Very high96 Ų9656.9 Ų56.945%0.44934%0.335SS..EExtended strand (participates in β ladder)trans-134.1144.9177.7-65.2177.7172.200110R65 A73 V74E63-R65 IonicContact OE2-CZ 2.65Å; E63-R65 IonicContact OE2-NE 2.85Å; E63-R65 PolarHBondContact OE2-NE 2.8Å; E63-R65 IonicContact OE2-NH2 2.81Å; E63-R65 PolarHBondContact OE2-NH2 2.79Å; E63-A73 CarbonylContact O-C 3.55Å; E63-A73 WeakPolarHBondContact O-CA 3.45Å; E63-V74 PolarHBondContact N-O 3.15Å; E63-V74 PolarHBondContact O-N 2.88Å
64E98Very high96.7Very high130 Ų13054.3 Ų54.361%0.60732%0.318SS*.EExtended strand (participates in β ladder)trans-77.2127.9173.1-68.7-174.6-177.700110.8L71 H72E64-L71 HydrophobicContact CB-CD1 4.34Å; E64-H72 CarbonylContact C-O 3.45Å; E64-H72 WeakPolarHBondContact CA-O 3.45Å
65R97Very high96.8Very high72 Ų7253.4 Ų53.427%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-137.9137.8178.4-59.9-173.7-172164.40.1110.3E63 L67 H72 V74 D76E63-R65 IonicContact OE2-CZ 2.65Å; E63-R65 IonicContact OE2-NE 2.85Å; E63-R65 PolarHBondContact OE2-NE 2.8Å; E63-R65 IonicContact OE2-NH2 2.81Å; E63-R65 PolarHBondContact OE2-NH2 2.79Å; R65-L67 HydrophobicContact CB-CD2 4.39Å; R65-L67 PolarHBondContact O-N 3.19Å; R65-H72 PolarHBondContact N-O 2.83Å; R65-H72 PolarHBondContact O-N 2.73Å; R65-V74 HydrophobicContact CB-CG2 4.11Å; R65-V74 HydrophobicContact CG-CG2 3.95Å; R65-D76 IonicContact CZ-OD1 3.44Å; R65-D76 IonicContact CZ-OD2 3.5Å; R65-D76 IonicContact NH1-OD1 2.8Å; R65-D76 PolarHBondContact NH1-OD1 2.88Å; R65-D76 IonicContact NH1-OD2 2.72Å; R65-D76 IonicContact NH2-OD1 3.55Å; R65-D76 PolarHBondContact NH2-OD1 3.44Å; R65-D76 IonicContact NH2-OD2 3.45Å; R65-D76 PolarHBondContact NH2-OD2 2.85Å
66V96.1Very high96.8Very high122 Ų12254.3 Ų54.374%0.73932%0.316SS*.EExtended strand (participates in β ladder)trans-81.7116169.4-1790000108.2L71V66-L71 HydrophobicContact CG2-CD1 3.93Å
67L94.8Very high96.9Very high49 Ų4953.3 Ų53.326%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-108.4178.3177.2-58.5179.8000110R65 T69 G70 H72 V74 Y90R65-L67 HydrophobicContact CB-CD2 4.39Å; R65-L67 PolarHBondContact O-N 3.19Å; L67-T69 PolarHBondContact O-N 2.99Å; L67-G70 PolarHBondContact N-O 2.93Å; L67-G70 PolarHBondContact O-N 3.17Å; L67-H72 HydrophobicContact CD1-CB 4.27Å; L67-V74 HydrophobicContact CD1-CG1 4.07Å; L67-Y90 HydrophobicContact CD1-CE1 3.75Å
68L92.5Very high96.9Very high161 Ų16155.7 Ų55.784%0.84332%0.317SS*.THydrogen-bonded Turntrans-53.6-30.9179.6-67.2175.4000113.9
69T92.3Very high97Very high50 Ų5055.3 Ų55.331%0.30731%0.313SS..THydrogen-bonded Turntrans-103.222.6-179.363.90000113L67 H72 Q98 K101L67-T69 PolarHBondContact O-N 2.99Å; T69-H72 PolarHBondContact O-CE1 3.36Å; T69-H72 PolarHBondContact OG1-CE1 2.81Å; T69-H72 VanDerWaalsContact OG1-CE1 3.22Å; T69-Q98 PolarHBondContact OG1-OE1 3.15Å; T69-K101 PolarHBondContact OG1-NZ 3.42Å
70G94.7Very high96.9Very high18 Ų1855.3 Ų55.319%0.18631%0.307CS..EExtended strand (participates in β ladder)trans102-166.8178.500000114.5L67 H72L67-G70 PolarHBondContact N-O 2.93Å; L67-G70 PolarHBondContact O-N 3.17Å; G70-H72 PolarHBondContact O-CE1 3.41Å; G70-H72 PolarHBondContact O-ND1 3.27Å
71L97Very high96.8Very high62 Ų6256.3 Ų56.333%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-73.3133-177.2-174.366.4000111.5E64 V66 F94E64-L71 HydrophobicContact CB-CD1 4.34Å; V66-L71 HydrophobicContact CG2-CD1 3.93Å; L71-F94 HydrophobicContact CB-CD2 4.11Å; L71-F94 HydrophobicContact CD2-CD1 4.46Å; L71-F94 HydrophobicContact CD2-CD2 3.91Å; L71-F94 HydrophobicContact CD2-CE1 4.45Å; L71-F94 HydrophobicContact CD2-CE2 3.9Å; L71-F94 HydrophobicContact CD2-CG 4.18Å; L71-F94 HydrophobicContact CD2-CZ 4.17Å; L71-F94 HydrophobicContact CG-CD2 3.73Å; L71-F94 HydrophobicContact CG-CE2 3.82Å; L71-F94 HydrophobicContact CG-CG 4.4Å; L71-F94 WeakPolarHBondContact O-CD2 3.2Å
72H98.3Very high96.7Very high1 Ų153.7 Ų53.71%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-140.1149.3176.4-6372.6000110.1E64 R65 L67 T69 G70 V74 Y90 H92E64-H72 CarbonylContact C-O 3.45Å; E64-H72 WeakPolarHBondContact CA-O 3.45Å; R65-H72 PolarHBondContact N-O 2.83Å; R65-H72 PolarHBondContact O-N 2.73Å; L67-H72 HydrophobicContact CD1-CB 4.27Å; T69-H72 PolarHBondContact O-CE1 3.36Å; T69-H72 PolarHBondContact OG1-CE1 2.81Å; T69-H72 VanDerWaalsContact OG1-CE1 3.22Å; G70-H72 PolarHBondContact O-CE1 3.41Å; G70-H72 PolarHBondContact O-ND1 3.27Å; H72-V74 HydrophobicContact CB-CG1 3.89Å; H72-Y90 HydrophobicContact CB-CD1 4.25Å; H72-Y90 HydrophobicContact CB-CE1 4.31Å; H72-Y90 AromaticContact CD2-CD1 3.6Å; H72-Y90 AromaticContact CD2-CE1 3.53Å; H72-Y90 AromaticContact CG-CE1 3.87Å; H72-H92 CarbonylContact C-O 3.57Å; H72-H92 VanDerWaalsContact CA-O 3.32Å; H72-H92 WeakPolarHBondContact CA-O 3.39Å
73A98.2Very high96.7Very high14 Ų1455.8 Ų55.812%0.11629%0.287CS..EExtended strand (participates in β ladder)trans-88.6122.9158.300000108.2E63 E91 H92E63-A73 CarbonylContact O-C 3.55Å; E63-A73 WeakPolarHBondContact O-CA 3.45Å; A73-E91 HydrophobicContact CB-CB 4.34Å; A73-E91 PolarHBondContact O-N 3.49Å; A73-H92 HydrophobicContact CB-CB 3.76Å; A73-H92 PolarHBondContact N-O 3.22Å; A73-H92 PolarHBondContact O-N 3.28Å
74V98.2Very high96.6Very high1 Ų152.9 Ų52.91%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-132.4148.6-178.4-60.80000110.6A62 E63 R65 L67 H72 W88 K89 Y90A62-V74 WeakPolarHBondContact CA-O 3.32Å; E63-V74 PolarHBondContact N-O 3.15Å; E63-V74 PolarHBondContact O-N 2.88Å; R65-V74 HydrophobicContact CB-CG2 4.11Å; R65-V74 HydrophobicContact CG-CG2 3.95Å; L67-V74 HydrophobicContact CD1-CG1 4.07Å; H72-V74 HydrophobicContact CB-CG1 3.89Å; V74-W88 HydrophobicContact CB-CB 4.29Å; V74-W88 HydrophobicContact CB-CG 4.25Å; V74-W88 HydrophobicContact CG1-CG 4.49Å; V74-K89 CarbonylContact C-O 3.59Å; V74-K89 WeakPolarHBondContact CA-O 3.48Å; V74-K89 WeakPolarHBondContact CB-O 3.23Å; V74-Y90 HydrophobicContact CG1-CD1 3.82Å; V74-Y90 HydrophobicContact CG1-CE1 4.14Å
75A98.4Very high96.6Very high1 Ų150.7 Ų50.71%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-118128.617600000109.7C59 A62 I77 W88 K89 E91C59-A75 WeakPolarHBondContact SG-CB 3.34Å; A62-A75 HydrophobicContact CB-CB 4.47Å; A75-I77 PolarHBondContact O-N 2.84Å; A75-W88 CarbonylContact O-C 3.56Å; A75-W88 WeakPolarHBondContact O-CA 3Å; A75-W88 WeakPolarHBondContact O-CB 3.37Å; A75-K89 PolarHBondContact N-O 3.13Å; A75-K89 PolarHBondContact O-N 2.8Å; A75-E91 HydrophobicContact CB-CG 4.09Å
76D98Very high96.7Very high59 Ų5947.3 Ų47.332%0.31626%0.259SS..EExtended strand (participates in β ladder)trans-62.9137.9177-71.8-31.1000110.3G60 R65G60-D76 PolarHBondContact N-O 2.91Å; R65-D76 IonicContact CZ-OD1 3.44Å; R65-D76 IonicContact CZ-OD2 3.5Å; R65-D76 IonicContact NH1-OD1 2.8Å; R65-D76 PolarHBondContact NH1-OD1 2.88Å; R65-D76 IonicContact NH1-OD2 2.72Å; R65-D76 IonicContact NH2-OD1 3.55Å; R65-D76 PolarHBondContact NH2-OD1 3.44Å; R65-D76 IonicContact NH2-OD2 3.45Å; R65-D76 PolarHBondContact NH2-OD2 2.85Å
77I98.4Very high96.8Very high0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-114.9145.6177.762.9160.8000111.5V57 G58 C59 A75 L86 G87 K89 Y105 I107V57-I77 HydrophobicContact CG1-CB 3.59Å; V57-I77 HydrophobicContact CG1-CD1 3.95Å; V57-I77 HydrophobicContact CG1-CG1 4.29Å; V57-I77 HydrophobicContact CG1-CG2 4.01Å; G58-I77 VanDerWaalsContact O-CA 3.27Å; G58-I77 WeakPolarHBondContact O-CA 3.32Å; C59-I77 HydrophobicContact CB-CG2 4.49Å; A75-I77 PolarHBondContact O-N 2.84Å; I77-L86 HydrophobicContact CD1-CB 4.3Å; I77-L86 HydrophobicContact CG1-CB 4.28Å; I77-L86 PolarHBondContact O-N 3.42Å; I77-G87 WeakPolarHBondContact CG1-O 3.48Å; I77-G87 PolarHBondContact N-O 3.45Å; I77-K89 HydrophobicContact CG2-CB 4Å; I77-Y105 HydrophobicContact CD1-CD1 4.4Å; I77-Y105 HydrophobicContact CG2-CD1 4.4Å; I77-I107 HydrophobicContact CD1-CG1 3.94Å
78Y98.1Very high96.9Very high82 Ų8240.8 Ų40.832%0.32222%0.219SC..EExtended strand (participates in β ladder)trans-136.8151.7-178.953.3-94.1000111.4V57 G58 E80 K83 T84V57-Y78 WeakPolarHBondContact CA-O 3.44Å; G58-Y78 PolarHBondContact N-O 3Å; G58-Y78 PolarHBondContact O-N 3.21Å; Y78-E80 PolarHBondContact O-N 3.14Å; Y78-K83 HydrophobicContact CD2-CD 4.1Å; Y78-K83 HydrophobicContact CE2-CD 4.24Å; Y78-T84 CarbonylContact C-O 3.58Å; Y78-T84 VanDerWaalsContact CA-O 3.23Å; Y78-T84 WeakPolarHBondContact CA-O 3.4Å; Y78-T84 WeakPolarHBondContact CB-O 3.34Å
79C97.9Very high97.2Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-62.2124.3172.6-179.60000109N81 K83 T84 L86C79-N81 PolarHBondContact O-N 3.09Å; C79-K83 WeakPolarHBondContact O-CA 3.38Å; C79-K83 PolarHBondContact O-N 2.78Å; C79-T84 PolarHBondContact N-O 2.79Å; C79-L86 HydrophobicContact CB-CD1 4.01Å; C79-L86 HydrophobicContact CB-CD2 4.27Å; C79-L86 HydrophobicContact CB-CG 4.3Å
80E96.3Very high97.5Very high56 Ų5632.8 Ų32.826%0.26217%0.173SC..THydrogen-bonded Turntrans-66.1-26.1-176.6-173.9156.9-138.600112.3K8 N56 Y78 K83K8-E80 HydrophobicContact CD-CG 4.46Å; K8-E80 VanDerWaalsContact CE-CD 3.45Å; K8-E80 WeakPolarHBondContact CE-OE1 3.23Å; K8-E80 IonicContact NZ-OE1 3.62Å; K8-E80 PolarHBondContact NZ-OE1 3.23Å; K8-E80 IonicContact NZ-OE2 3.51Å; K8-E80 PolarHBondContact NZ-OE2 2.87Å; N56-E80 WeakPolarHBondContact O-CB 3.31Å; N56-E80 PolarHBondContact O-N 3.36Å; Y78-E80 PolarHBondContact O-N 3.14Å; E80-K83 WeakPolarHBondContact O-CE 3.34Å; E80-K83 PolarHBondContact O-NZ 2.65Å
81N95.2Very high97.7Very high47 Ų4735.2 Ų35.225%0.25118%0.179SC..THydrogen-bonded Turntrans-79.7-53.7-180-174.160.6000113.4S7 Q11 C26 A28 C79S7-N81 WeakPolarHBondContact CB-OD1 3.17Å; S7-N81 PolarHBondContact OG-OD1 2.83Å; Q11-N81 PolarHBondContact NE2-OD1 3.38Å; C26-N81 VanDerWaalsContact CB-ND2 3.26Å; C26-N81 WeakPolarHBondContact CB-ND2 3.33Å; C26-N81 PolarHBondContact SG-ND2 3.37Å; A28-N81 HydrophobicContact CB-CB 4.2Å; C79-N81 PolarHBondContact O-N 3.09Å
82C96.1Very high97.7Very high44 Ų4435.9 Ų35.930%0.29718%0.18SC..THydrogen-bonded Turntrans-105.2-2.4-17567.10000115C23 C26 T84C23-C82 VanDerWaalsContact SG-SG 3.64Å; C26-C82 HydrophobicContact CB-CB 3.85Å; C26-C82 VanDerWaalsContact SG-SG 3.61Å; C82-T84 PolarHBondContact O-N 3Å; C82-T84 VanDerWaalsContact O-N 3.12Å; C82-T84 PolarHBondContact SG-OG1 2.93Å
83K96.4Very high97.6Very high106 Ų10635.9 Ų35.946%0.46118%0.181SC..  trans63.57.9179.8-49.3-53.2-174.5-168.30115.7Y78 C79 E80 T85Y78-K83 HydrophobicContact CD2-CD 4.1Å; Y78-K83 HydrophobicContact CE2-CD 4.24Å; C79-K83 WeakPolarHBondContact O-CA 3.38Å; C79-K83 PolarHBondContact O-N 2.78Å; E80-K83 WeakPolarHBondContact O-CE 3.34Å; E80-K83 PolarHBondContact O-NZ 2.65Å; K83-T85 PolarHBondContact O-N 2.85Å
84T97.2Very high97.5Very high36 Ų3639.9 Ų39.922%0.22120%0.195CC..  trans-61.8132.2171.2-50.50000110.3H25 Y78 C79 C82H25-T84 VanDerWaalsContact CD2-CG2 3.5Å; H25-T84 WeakPolarHBondContact CD2-CG2 3.46Å; H25-T84 PolarHBondContact CD2-OG1 3.39Å; Y78-T84 CarbonylContact C-O 3.58Å; Y78-T84 VanDerWaalsContact CA-O 3.23Å; Y78-T84 WeakPolarHBondContact CA-O 3.4Å; Y78-T84 WeakPolarHBondContact CB-O 3.34Å; C79-T84 PolarHBondContact N-O 2.79Å; C82-T84 PolarHBondContact O-N 3Å; C82-T84 VanDerWaalsContact O-N 3.12Å; C82-T84 PolarHBondContact SG-OG1 2.93Å
85T97.6Very high97.4Very high84 Ų8444.5 Ų44.552%0.51522%0.217SC..EExtended strand (participates in β ladder)trans-62.3131.7169.3-52.90000110.6K83 H111K83-T85 PolarHBondContact O-N 2.85Å; T85-H111 PolarHBondContact O-CD2 2.75Å; T85-H111 VanDerWaalsContact O-CD2 3.26Å
86L98.2Very high97.3Very high1 Ų149.6 Ų49.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-110.1-28.6-175.8-60.4176.2000112.9L30 V57 I77 C79 I107 E108 H111L30-L86 HydrophobicContact CD1-CD1 3.85Å; L30-L86 HydrophobicContact CD1-CD2 4.08Å; L30-L86 HydrophobicContact CD2-CD1 3.58Å; L30-L86 HydrophobicContact CG-CD1 4.35Å; V57-L86 HydrophobicContact CG2-CD1 3.97Å; I77-L86 HydrophobicContact CD1-CB 4.3Å; I77-L86 HydrophobicContact CG1-CB 4.28Å; I77-L86 PolarHBondContact O-N 3.42Å; C79-L86 HydrophobicContact CB-CD1 4.01Å; C79-L86 HydrophobicContact CB-CD2 4.27Å; C79-L86 HydrophobicContact CB-CG 4.3Å; L86-I107 HydrophobicContact CB-CG2 4.33Å; L86-E108 PolarHBondContact O-N 2.81Å; L86-H111 HydrophobicContact CD2-CB 3.67Å
87G98.1Very high97.2Very high3 Ų350 Ų503%0.03126%0.261CS..EExtended strand (participates in β ladder)trans156.8-139.6-173.800000109.9I77 I106I77-G87 WeakPolarHBondContact CG1-O 3.48Å; I77-G87 PolarHBondContact N-O 3.45Å; G87-I106 WeakPolarHBondContact CA-O 3.47Å
88W98.4Very high97.1Very high30 Ų3051.3 Ų51.311%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-145159.6-179.96391.1000113.1V74 A75 Y90 I106V74-W88 HydrophobicContact CB-CB 4.29Å; V74-W88 HydrophobicContact CB-CG 4.25Å; V74-W88 HydrophobicContact CG1-CG 4.49Å; A75-W88 CarbonylContact O-C 3.56Å; A75-W88 WeakPolarHBondContact O-CA 3Å; A75-W88 WeakPolarHBondContact O-CB 3.37Å; W88-Y90 AromaticContact NE1-CE1 3.88Å; W88-Y90 AromaticContact NE1-CE2 3.59Å; W88-Y90 AromaticContact NE1-CZ 3.46Å; W88-I106 HydrophobicContact CD2-CB 3.96Å; W88-I106 HydrophobicContact CD2-CG1 4.4Å; W88-I106 HydrophobicContact CD2-CG2 4.14Å; W88-I106 HydrophobicContact CE3-CB 4.38Å; W88-I106 HydrophobicContact CE3-CG2 4.09Å; W88-I106 HydrophobicContact CG-CB 4.38Å; W88-I106 HydrophobicContact CH2-CB 4.42Å; W88-I106 HydrophobicContact CH2-CG2 3.69Å; W88-I106 HydrophobicContact CZ2-CB 4Å; W88-I106 HydrophobicContact CZ2-CG1 3.86Å; W88-I106 HydrophobicContact CZ2-CG2 3.73Å; W88-I106 HydrophobicContact CZ3-CG2 3.87Å; W88-I106 PolarHBondContact N-O 3.45Å; W88-I106 VanDerWaalsContact N-O 3.14Å; W88-I106 PolarHBondContact O-N 2.72Å
89K98.6Very high97.1Very high37 Ų3751 Ų5116%0.16127%0.267CS..EExtended strand (participates in β ladder)trans-99.4137.2167.1-177.9-173.2165.6-143.40109.1V74 A75 I77 E91 K104 Y105V74-K89 CarbonylContact C-O 3.59Å; V74-K89 WeakPolarHBondContact CA-O 3.48Å; V74-K89 WeakPolarHBondContact CB-O 3.23Å; A75-K89 PolarHBondContact N-O 3.13Å; A75-K89 PolarHBondContact O-N 2.8Å; I77-K89 HydrophobicContact CG2-CB 4Å; K89-E91 VanDerWaalsContact CD-OE1 3.27Å; K89-E91 WeakPolarHBondContact CD-OE1 3.3Å; K89-E91 WeakPolarHBondContact CE-OE1 3.14Å; K89-E91 IonicContact NZ-OE1 2.75Å; K89-E91 PolarHBondContact NZ-OE1 2.8Å; K89-E91 IonicContact NZ-OE2 2.99Å; K89-E91 PolarHBondContact NZ-OE2 2.87Å; K89-E91 PolarHBondContact O-N 2.76Å; K89-K104 WeakPolarHBondContact CA-O 3.22Å; K89-Y105 HydrophobicContact CB-CD1 3.85Å; K89-Y105 HydrophobicContact CB-CE1 3.96Å; K89-Y105 HydrophobicContact CD-CD1 4.26Å; K89-Y105 HydrophobicContact CD-CE1 3.54Å; K89-Y105 HydrophobicContact CG-CD1 3.92Å; K89-Y105 HydrophobicContact CG-CE1 3.72Å
90Y98.2Very high97.1Very high7 Ų757.1 Ų57.13%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-78.7116.2168.8-75.2-78.8000109.7L50 L67 H72 V74 W88 K101 G103 K104 I106L50-Y90 HydrophobicContact CD1-CD2 4.35Å; L50-Y90 HydrophobicContact CD1-CE2 4.3Å; L67-Y90 HydrophobicContact CD1-CE1 3.75Å; H72-Y90 HydrophobicContact CB-CD1 4.25Å; H72-Y90 HydrophobicContact CB-CE1 4.31Å; H72-Y90 AromaticContact CD2-CD1 3.6Å; H72-Y90 AromaticContact CD2-CE1 3.53Å; H72-Y90 AromaticContact CG-CE1 3.87Å; V74-Y90 HydrophobicContact CG1-CD1 3.82Å; V74-Y90 HydrophobicContact CG1-CE1 4.14Å; W88-Y90 AromaticContact NE1-CE1 3.88Å; W88-Y90 AromaticContact NE1-CE2 3.59Å; W88-Y90 AromaticContact NE1-CZ 3.46Å; Y90-K101 WeakPolarHBondContact CB-O 3.21Å; Y90-K101 HydrophobicContact CD1-CB 4.19Å; Y90-K101 HydrophobicContact CD1-CD 4.45Å; Y90-K101 HydrophobicContact CD2-CB 3.79Å; Y90-K101 HydrophobicContact CD2-CD 4.43Å; Y90-K101 HydrophobicContact CE1-CD 3.99Å; Y90-K101 HydrophobicContact CE2-CB 4.14Å; Y90-K101 HydrophobicContact CE2-CD 3.94Å; Y90-K101 HydrophobicContact CE2-CG 4.42Å; Y90-K101 HydrophobicContact CG-CB 3.81Å; Y90-G103 WeakPolarHBondContact O-CA 3.47Å; Y90-G103 PolarHBondContact O-N 2.9Å; Y90-K104 PolarHBondContact N-O 2.82Å; Y90-I106 HydrophobicContact CD2-CG1 4.19Å; Y90-I106 HydrophobicContact CE2-CD1 4.03Å; Y90-I106 HydrophobicContact CE2-CG1 3.51Å
91E98.1Very high97.1Very high69 Ų6954.7 Ų54.732%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-92.5-42.7176.1-65.7-66.916800111A62 A73 A75 K89A62-E91 HydrophobicContact CB-CB 4.34Å; A62-E91 HydrophobicContact CB-CG 3.89Å; A73-E91 HydrophobicContact CB-CB 4.34Å; A73-E91 PolarHBondContact O-N 3.49Å; A75-E91 HydrophobicContact CB-CG 4.09Å; K89-E91 VanDerWaalsContact CD-OE1 3.27Å; K89-E91 WeakPolarHBondContact CD-OE1 3.3Å; K89-E91 WeakPolarHBondContact CE-OE1 3.14Å; K89-E91 IonicContact NZ-OE1 2.75Å; K89-E91 PolarHBondContact NZ-OE1 2.8Å; K89-E91 IonicContact NZ-OE2 2.99Å; K89-E91 PolarHBondContact NZ-OE2 2.87Å; K89-E91 PolarHBondContact O-N 2.76Å
92H97.9Very high97.3Very high75 Ų7555 Ų5535%0.34728%0.279SS..EExtended strand (participates in β ladder)trans-146.7142.6179.4-163.276.1000112H72 A73 F94 K99 E102H72-H92 CarbonylContact C-O 3.57Å; H72-H92 VanDerWaalsContact CA-O 3.32Å; H72-H92 WeakPolarHBondContact CA-O 3.39Å; A73-H92 HydrophobicContact CB-CB 3.76Å; A73-H92 PolarHBondContact N-O 3.22Å; A73-H92 PolarHBondContact O-N 3.28Å; H92-F94 AromaticContact CD2-CE2 4Å; H92-K99 PolarHBondContact CE1-NZ 2.87Å; H92-K99 PolarHBondContact NE2-NZ 3.29Å; H92-E102 WeakPolarHBondContact CA-OE1 3.34Å; H92-E102 IonicContact CE1-OE1 3.74Å; H92-E102 IonicContact CG-OE1 3.66Å; H92-E102 IonicContact ND1-OE1 3.27Å; H92-E102 PolarHBondContact ND1-OE1 2.92Å
93A96.7Very high97.3Very high1 Ų154.4 Ų54.41%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-119.6129.1170.600000110Q98 K99 E102A93-Q98 HydrophobicContact CB-CB 3.8Å; A93-K99 HydrophobicContact CB-CD 4.37Å; A93-K99 WeakPolarHBondContact O-CD 3.35Å; A93-K99 WeakPolarHBondContact O-CE 3.4Å; A93-K99 PolarHBondContact O-NZ 3.03Å; A93-E102 HydrophobicContact CB-CG 4.18Å; A93-E102 PolarHBondContact N-OE1 2.92Å
94F95.2Very high97.4Very high98 Ų9851.5 Ų51.543%0.4327%0.268SS..SBendtrans-81.4-24.4-175.5-69.8-97.2000112.8L71 H92L71-F94 HydrophobicContact CB-CD2 4.11Å; L71-F94 HydrophobicContact CD2-CD1 4.46Å; L71-F94 HydrophobicContact CD2-CD2 3.91Å; L71-F94 HydrophobicContact CD2-CE1 4.45Å; L71-F94 HydrophobicContact CD2-CE2 3.9Å; L71-F94 HydrophobicContact CD2-CG 4.18Å; L71-F94 HydrophobicContact CD2-CZ 4.17Å; L71-F94 HydrophobicContact CG-CD2 3.73Å; L71-F94 HydrophobicContact CG-CE2 3.82Å; L71-F94 HydrophobicContact CG-CG 4.4Å; L71-F94 WeakPolarHBondContact O-CD2 3.2Å; H92-F94 AromaticContact CD2-CE2 4Å
95E96Very high97.5Very high98 Ų9852.1 Ų52.146%0.45827%0.266SS..SBendtrans-93.2136175.1-66.6-179.1-15900111.6S97 Q98 K99E95-S97 VanDerWaalsContact C-N 3.26Å; E95-S97 PolarHBondContact O-N 3.03Å; E95-Q98 HydrophobicContact CB-CG 4.11Å; E95-Q98 PolarHBondContact O-N 3.06Å; E95-K99 PolarHBondContact O-N 2.78Å
96S95.9Very high97.6Very high109 Ų10948.1 Ų48.176%0.76224%0.242SC*.G310 helixtrans-57.7-37.5179.256.40000112.9Q98 K99S96-Q98 PolarHBondContact O-N 3.04Å; S96-Q98 VanDerWaalsContact O-N 3.17Å; S96-K99 WeakPolarHBondContact O-CB 3.27Å; S96-K99 PolarHBondContact O-N 3.48Å
97S96.5Very high97.6Very high68 Ų6848 Ų4848%0.47624%0.242SC..G310 helixtrans-62.9-19.817869.70000113.4E95 Y100E95-S97 VanDerWaalsContact C-N 3.26Å; E95-S97 PolarHBondContact O-N 3.03Å; S97-Y100 WeakPolarHBondContact O-CD1 3.47Å; S97-Y100 WeakPolarHBondContact O-CE1 3.13Å
98Q97Very high97.6Very high26 Ų2648.2 Ų48.212%0.12124%0.242CC..G310 helixtrans-104.4-3.6-177.4-54.9-52.9-48.700113.1T69 A93 E95 S96 Y100 K101T69-Q98 PolarHBondContact OG1-OE1 3.15Å; A93-Q98 HydrophobicContact CB-CB 3.8Å; E95-Q98 HydrophobicContact CB-CG 4.11Å; E95-Q98 PolarHBondContact O-N 3.06Å; S96-Q98 PolarHBondContact O-N 3.04Å; S96-Q98 VanDerWaalsContact O-N 3.17Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Q98-Y100 VanDerWaalsContact O-N 3.15Å; Q98-K101 WeakPolarHBondContact O-CB 3.27Å; Q98-K101 WeakPolarHBondContact O-CG 3.38Å; Q98-K101 PolarHBondContact O-N 3.44Å
99K97.4Very high97.5Very high77 Ų7748.9 Ų48.934%0.33525%0.247SC..G310 helixtrans-58.7-27.9-177.8-72.8-64.3-166.5-171.40114.5H92 A93 E95 S96 K101 E102H92-K99 PolarHBondContact CE1-NZ 2.87Å; H92-K99 PolarHBondContact NE2-NZ 3.29Å; A93-K99 HydrophobicContact CB-CD 4.37Å; A93-K99 WeakPolarHBondContact O-CD 3.35Å; A93-K99 WeakPolarHBondContact O-CE 3.4Å; A93-K99 PolarHBondContact O-NZ 3.03Å; E95-K99 PolarHBondContact O-N 2.78Å; S96-K99 WeakPolarHBondContact O-CB 3.27Å; S96-K99 PolarHBondContact O-N 3.48Å; K99-K101 PolarHBondContact O-N 2.8Å; K99-E102 VanDerWaalsContact CD-CD 3.47Å; K99-E102 HydrophobicContact CD-CG 4.33Å; K99-E102 WeakPolarHBondContact CD-OE1 3.35Å; K99-E102 WeakPolarHBondContact CE-OE1 3.47Å; K99-E102 IonicContact NZ-OE1 2.68Å; K99-E102 PolarHBondContact NZ-OE1 2.98Å; K99-E102 IonicContact NZ-OE2 3.9Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.84Å
100Y97.2Very high97.5Very high128 Ų12849.4 Ų49.450%0.50226%0.258SS..G310 helixtrans-60-20.1176.776.7-90.1000113.3F41 L50 S97 Q98F41-Y100 HydrophobicContact CZ-CE2 4.37Å; L50-Y100 HydrophobicContact CD2-CE2 4.2Å; S97-Y100 WeakPolarHBondContact O-CD1 3.47Å; S97-Y100 WeakPolarHBondContact O-CE1 3.13Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Q98-Y100 VanDerWaalsContact O-N 3.15Å
101K97.9Very high97.4Very high4 Ų449.9 Ų49.92%0.01726%0.261CS..G310 helixtrans-79-20.6177.8-59.1-179-176.5176.20112.9F41 T69 Y90 Q98 K99 G103 K104F41-K101 HydrophobicContact CE1-CD 4.18Å; T69-K101 PolarHBondContact OG1-NZ 3.42Å; Y90-K101 WeakPolarHBondContact CB-O 3.21Å; Y90-K101 HydrophobicContact CD1-CB 4.19Å; Y90-K101 HydrophobicContact CD1-CD 4.45Å; Y90-K101 HydrophobicContact CD2-CB 3.79Å; Y90-K101 HydrophobicContact CD2-CD 4.43Å; Y90-K101 HydrophobicContact CE1-CD 3.99Å; Y90-K101 HydrophobicContact CE2-CB 4.14Å; Y90-K101 HydrophobicContact CE2-CD 3.94Å; Y90-K101 HydrophobicContact CE2-CG 4.42Å; Y90-K101 HydrophobicContact CG-CB 3.81Å; Q98-K101 WeakPolarHBondContact O-CB 3.27Å; Q98-K101 WeakPolarHBondContact O-CG 3.38Å; Q98-K101 PolarHBondContact O-N 3.44Å; K99-K101 PolarHBondContact O-N 2.8Å; K101-G103 PolarHBondContact O-N 3.06Å; K101-K104 WeakPolarHBondContact O-CB 3.49Å; K101-K104 WeakPolarHBondContact O-CG 3.38Å; K101-K104 PolarHBondContact O-N 2.99Å
102E97.9Very high97.4Very high55 Ų5547.4 Ų47.426%0.25725%0.249SC..THydrogen-bonded Turntrans-59.1136.7-176.4-66.4-174.9167.900111.9H92 A93 K99 K104H92-E102 WeakPolarHBondContact CA-OE1 3.34Å; H92-E102 IonicContact CE1-OE1 3.74Å; H92-E102 IonicContact CG-OE1 3.66Å; H92-E102 IonicContact ND1-OE1 3.27Å; H92-E102 PolarHBondContact ND1-OE1 2.92Å; A93-E102 HydrophobicContact CB-CG 4.18Å; A93-E102 PolarHBondContact N-OE1 2.92Å; K99-E102 VanDerWaalsContact CD-CD 3.47Å; K99-E102 HydrophobicContact CD-CG 4.33Å; K99-E102 WeakPolarHBondContact CD-OE1 3.35Å; K99-E102 WeakPolarHBondContact CE-OE1 3.47Å; K99-E102 IonicContact NZ-OE1 2.68Å; K99-E102 PolarHBondContact NZ-OE1 2.98Å; K99-E102 IonicContact NZ-OE2 3.9Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.84Å; E102-K104 PolarHBondContact O-N 3.49Å; E102-K104 PolarHBondContact O-NZ 2.85Å
103G98Very high97.3Very high31 Ų3147 Ų4732%0.3225%0.249SC..THydrogen-bonded Turntrans72.62.6-175.400000115Y90 K101 Y105Y90-G103 WeakPolarHBondContact O-CA 3.47Å; Y90-G103 PolarHBondContact O-N 2.9Å; K101-G103 PolarHBondContact O-N 3.06Å; G103-Y105 WeakPolarHBondContact O-CE2 3.36Å
104K98.5Very high97.2Very high44 Ų4450.7 Ų50.719%0.19127%0.265CS..  trans-98.4161.2-178-49.3-61.2173.8-76.40111.7I37 L50 F51 N52 K89 Y90 K101 E102I37-K104 HydrophobicContact CD1-CD 3.61Å; I37-K104 HydrophobicContact CD1-CG 4.12Å; L50-K104 HydrophobicContact CD1-CB 3.61Å; L50-K104 HydrophobicContact CG-CB 4.17Å; F51-K104 WeakPolarHBondContact O-CB 3.49Å; N52-K104 HydrophobicContact CB-CD 4.47Å; N52-K104 VanDerWaalsContact OD1-CE 3.3Å; N52-K104 WeakPolarHBondContact OD1-CE 3.41Å; K89-K104 WeakPolarHBondContact CA-O 3.22Å; Y90-K104 PolarHBondContact N-O 2.82Å; K101-K104 WeakPolarHBondContact O-CB 3.49Å; K101-K104 WeakPolarHBondContact O-CG 3.38Å; K101-K104 PolarHBondContact O-N 2.99Å; E102-K104 PolarHBondContact O-N 3.49Å; E102-K104 PolarHBondContact O-NZ 2.85Å
105Y98.7Very high97Very high49 Ų4950.4 Ų50.419%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-117.5132.4-170.3-57.7-95.7000111.2L50 F51 V54 I77 K89 G103L50-Y105 CarbonylContact C-O 3.47Å; L50-Y105 WeakPolarHBondContact CA-O 3.5Å; F51-Y105 PolarHBondContact N-O 2.93Å; F51-Y105 PolarHBondContact O-N 2.82Å; V54-Y105 HydrophobicContact CB-CG 4.4Å; V54-Y105 HydrophobicContact CG1-CD1 4.36Å; V54-Y105 HydrophobicContact CG1-CD2 4.09Å; V54-Y105 HydrophobicContact CG1-CG 3.8Å; V54-Y105 HydrophobicContact CG2-CD1 3.49Å; V54-Y105 VanDerWaalsContact CG2-CD1 3.49Å; V54-Y105 HydrophobicContact CG2-CD2 3.97Å; V54-Y105 HydrophobicContact CG2-CE1 3.6Å; V54-Y105 HydrophobicContact CG2-CE2 4.1Å; V54-Y105 HydrophobicContact CG2-CG 3.68Å; I77-Y105 HydrophobicContact CD1-CD1 4.4Å; I77-Y105 HydrophobicContact CG2-CD1 4.4Å; K89-Y105 HydrophobicContact CB-CD1 3.85Å; K89-Y105 HydrophobicContact CB-CE1 3.96Å; K89-Y105 HydrophobicContact CD-CD1 4.26Å; K89-Y105 HydrophobicContact CD-CE1 3.54Å; K89-Y105 HydrophobicContact CG-CD1 3.92Å; K89-Y105 HydrophobicContact CG-CE1 3.72Å; G103-Y105 WeakPolarHBondContact O-CE2 3.36Å
106I98.4Very high96.5Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-99125.5168.5-65.8-67000108.5F41 A48 Y49 L50 G87 W88 Y90F41-I106 HydrophobicContact CB-CD1 3.9Å; F41-I106 HydrophobicContact CD1-CD1 3.44Å; F41-I106 VanDerWaalsContact CD1-CD1 3.44Å; F41-I106 HydrophobicContact CD2-CD1 4.49Å; F41-I106 HydrophobicContact CE1-CD1 4.06Å; F41-I106 HydrophobicContact CG-CD1 3.7Å; A48-I106 HydrophobicContact CB-CG2 3.6Å; Y49-I106 WeakPolarHBondContact O-CA 3.32Å; L50-I106 HydrophobicContact CB-CD1 4.04Å; L50-I106 HydrophobicContact CD1-CD1 3.6Å; L50-I106 HydrophobicContact CD1-CG1 4.2Å; L50-I106 HydrophobicContact CG-CD1 4.46Å; G87-I106 WeakPolarHBondContact CA-O 3.47Å; W88-I106 HydrophobicContact CD2-CB 3.96Å; W88-I106 HydrophobicContact CD2-CG1 4.4Å; W88-I106 HydrophobicContact CD2-CG2 4.14Å; W88-I106 HydrophobicContact CE3-CB 4.38Å; W88-I106 HydrophobicContact CE3-CG2 4.09Å; W88-I106 HydrophobicContact CG-CB 4.38Å; W88-I106 HydrophobicContact CH2-CB 4.42Å; W88-I106 HydrophobicContact CH2-CG2 3.69Å; W88-I106 HydrophobicContact CZ2-CB 4Å; W88-I106 HydrophobicContact CZ2-CG1 3.86Å; W88-I106 HydrophobicContact CZ2-CG2 3.73Å; W88-I106 HydrophobicContact CZ3-CG2 3.87Å; W88-I106 PolarHBondContact N-O 3.45Å; W88-I106 VanDerWaalsContact N-O 3.14Å; W88-I106 PolarHBondContact O-N 2.72Å; Y90-I106 HydrophobicContact CD2-CG1 4.19Å; Y90-I106 HydrophobicContact CE2-CD1 4.03Å; Y90-I106 HydrophobicContact CE2-CG1 3.51Å
107I98.4Very high95.7Very high0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-121.8126.9169.3-60.4175.3000108.8L30 A48 Y49 F51 V54 I77 L86 M112L30-I107 HydrophobicContact CB-CD1 4.18Å; A48-I107 WeakPolarHBondContact CA-O 3.5Å; Y49-I107 PolarHBondContact N-O 2.85Å; Y49-I107 PolarHBondContact O-N 2.83Å; Y49-I107 VanDerWaalsContact O-N 3.09Å; F51-I107 HydrophobicContact CD2-CB 4.35Å; F51-I107 HydrophobicContact CD2-CD1 4.17Å; F51-I107 HydrophobicContact CD2-CG1 4.3Å; F51-I107 HydrophobicContact CE2-CB 4.12Å; F51-I107 HydrophobicContact CE2-CD1 4.29Å; F51-I107 HydrophobicContact CE2-CG1 4.47Å; V54-I107 HydrophobicContact CG1-CD1 3.91Å; I77-I107 HydrophobicContact CD1-CG1 3.94Å; L86-I107 HydrophobicContact CB-CG2 4.33Å; I107-M112 HydrophobicContact CB-SD 4.24Å; I107-M112 HydrophobicContact CG2-CB 3.97Å; I107-M112 HydrophobicContact CG2-CG 4.37Å; I107-M112 HydrophobicContact CG2-SD 3.68Å
108E98.2Very high94.6Very high7 Ų752.1 Ų52.13%0.03326%0.257CS..EExtended strand (participates in β ladder)trans-76.6139.2177.4-55.6-159.6-138.400111.1G43 S44 Q45 A48 L86 A110 H111G43-E108 WeakPolarHBondContact CA-OE2 3.33Å; S44-E108 PolarHBondContact N-OE1 3.1Å; S44-E108 VanDerWaalsContact N-OE1 3.13Å; S44-E108 PolarHBondContact N-OE2 3.17Å; S44-E108 VanDerWaalsContact N-OE2 3.15Å; S44-E108 PolarHBondContact OG-OE1 3.26Å; Q45-E108 WeakPolarHBondContact CA-OE2 3.3Å; Q45-E108 VanDerWaalsContact CB-OE2 3.32Å; Q45-E108 WeakPolarHBondContact CB-OE2 3.49Å; Q45-E108 PolarHBondContact N-OE2 2.86Å; A48-E108 HydrophobicContact CB-CG 4.19Å; L86-E108 PolarHBondContact O-N 2.81Å; E108-A110 PolarHBondContact O-N 2.86Å; E108-A110 VanDerWaalsContact O-N 3.17Å; E108-H111 PolarHBondContact O-N 2.99Å; E108-H111 VanDerWaalsContact O-N 3.1Å
109L97.5Very high92.6Very high44 Ų4461.8 Ų61.823%0.2331%0.31CS..G310 helixtrans-63.8-23.7-178.2-91.162.9000112.7R47 Y49 H111 M112R47-L109 HydrophobicContact CB-CD1 4.46Å; R47-L109 HydrophobicContact CB-CD2 4.12Å; R47-L109 WeakPolarHBondContact O-CD1 3.15Å; R47-L109 PolarHBondContact O-N 2.95Å; Y49-L109 HydrophobicContact CD1-CD1 3.57Å; Y49-L109 HydrophobicContact CD2-CD1 3.99Å; Y49-L109 HydrophobicContact CE1-CD1 3.59Å; Y49-L109 HydrophobicContact CE1-CD2 4.09Å; Y49-L109 HydrophobicContact CE1-CG 4.42Å; Y49-L109 HydrophobicContact CE2-CD1 3.99Å; Y49-L109 HydrophobicContact CG-CD1 3.77Å; L109-H111 PolarHBondContact O-N 2.86Å; L109-M112 HydrophobicContact CD1-CE 4.35Å; L109-M112 PolarHBondContact O-N 3.06Å; L109-M112 VanDerWaalsContact O-O 3.1Å
110A97.5Very high92.4Very high47 Ų4761.1 Ų61.139%0.38831%0.309SS..G310 helixtrans-58.9-27.6175.900000112.8Q45 E108Q45-A110 HydrophobicContact CB-CB 4.27Å; E108-A110 PolarHBondContact O-N 2.86Å; E108-A110 VanDerWaalsContact O-N 3.17Å
111H97.4Very high92.2Very high18 Ų1857.5 Ų57.58%0.08330%0.298CS..G310 helixtrans-106.94.1-174-58.4-55.6000113.8I24 H25 Q45 T85 L86 E108 L109I24-H111 PolarHBondContact N-O 3.37Å; H25-H111 AromaticContact NE2-ND1 3.73Å; Q45-H111 PolarHBondContact NE2-NE2 3.17Å; Q45-H111 VanDerWaalsContact NE2-NE2 3.15Å; Q45-H111 PolarHBondContact OE1-NE2 3.11Å; T85-H111 PolarHBondContact O-CD2 2.75Å; T85-H111 VanDerWaalsContact O-CD2 3.26Å; L86-H111 HydrophobicContact CD2-CB 3.67Å; E108-H111 PolarHBondContact O-N 2.99Å; E108-H111 VanDerWaalsContact O-N 3.1Å; L109-H111 PolarHBondContact O-N 2.86Å
112M96.7Very high91.8Very high16 Ų1660.5 Ų60.58%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-136.4132.9-167.7-173.5177.173.500111.7Y21 S22 L30 Y49 F51 I107 L109Y21-M112 WeakPolarHBondContact CB-SD 3.46Å; Y21-M112 HydrophobicContact CD1-CE 3.38Å; Y21-M112 HydrophobicContact CD1-CG 3.99Å; Y21-M112 HydrophobicContact CD1-SD 3.66Å; Y21-M112 HydrophobicContact CE1-CE 3.77Å; Y21-M112 HydrophobicContact CG-CE 3.91Å; Y21-M112 HydrophobicContact CG-CG 4.23Å; Y21-M112 HydrophobicContact CG-SD 3.63Å; S22-M112 CarbonylContact O-C 3.52Å; S22-M112 WeakPolarHBondContact O-CA 3.38Å; L30-M112 HydrophobicContact CD1-CG 4.4Å; Y49-M112 HydrophobicContact CD2-CE 3.85Å; Y49-M112 HydrophobicContact CE2-CE 4.39Å; F51-M112 HydrophobicContact CE2-CE 4.13Å; F51-M112 HydrophobicContact CE2-SD 4.05Å; F51-M112 HydrophobicContact CZ-CE 3.99Å; F51-M112 HydrophobicContact CZ-SD 4Å; I107-M112 HydrophobicContact CB-SD 4.24Å; I107-M112 HydrophobicContact CG2-CB 3.97Å; I107-M112 HydrophobicContact CG2-CG 4.37Å; I107-M112 HydrophobicContact CG2-SD 3.68Å; L109-M112 HydrophobicContact CD1-CE 4.35Å; L109-M112 PolarHBondContact O-N 3.06Å; L109-M112 VanDerWaalsContact O-O 3.1Å
113I96.2Very high91.5Very high66 Ų6660.8 Ų60.834%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-108.1143.5169.9-166.8174.5000109.5Y21 S22Y21-I113 CarbonylContact C-O 3.5Å; Y21-I113 WeakPolarHBondContact CA-O 3.11Å; S22-I113 PolarHBondContact N-O 3.26Å; S22-I113 PolarHBondContact O-N 3.01Å
114K94.7Very high91.1Very high79 Ų7962.7 Ų62.734%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-95.9123.2174.2-172-173.1-177.6-147.10109.7T20 Y21 N116T20-K114 CarbonylContact O-C 3.47Å; T20-K114 WeakPolarHBondContact O-CA 3.48Å; Y21-K114 HydrophobicContact CD1-CB 3.84Å; Y21-K114 HydrophobicContact CD1-CG 3.97Å; Y21-K114 HydrophobicContact CE1-CB 3.74Å; Y21-K114 HydrophobicContact CE1-CD 3.94Å; Y21-K114 HydrophobicContact CE1-CG 3.62Å; K114-N116 WeakPolarHBondContact CD-OD1 3.37Å; K114-N116 WeakPolarHBondContact CE-OD1 3.11Å; K114-N116 PolarHBondContact NZ-OD1 2.69Å
115D90.8Very high90.6Very high93 Ų9363.9 Ų63.950%0.49733%0.326SS..EExtended strand (participates in β ladder)trans-91.3132.6161.3-162.1-24.5000108.5R19 T20 G117R19-D115 CarbonylContact C-O 3.58Å; R19-D115 VanDerWaalsContact CA-O 3.26Å; R19-D115 WeakPolarHBondContact CA-O 3.41Å; T20-D115 PolarHBondContact N-O 3.45Å; T20-D115 PolarHBondContact O-N 3.23Å; D115-G117 PolarHBondContact OD1-N 3.32Å
116N86.7Confident90Very high63 Ų6365 Ų6534%0.33734%0.335SS..  trans-96.2-9179.4-70.5-42.3000113.4R19 K114 W118R19-N116 WeakPolarHBondContact CG-O 3.49Å; K114-N116 WeakPolarHBondContact CD-OD1 3.37Å; K114-N116 WeakPolarHBondContact CE-OD1 3.11Å; K114-N116 PolarHBondContact NZ-OD1 2.69Å; N116-W118 VanDerWaalsContact C-N 3.29Å; N116-W118 HydrophobicContact CB-CG 4.27Å; N116-W118 PolarHBondContact ND2-NE1 3.27Å; N116-W118 PolarHBondContact O-N 2.68Å
117G78.4Confident89.4Confident30 Ų3070 Ų7031%0.30936%0.361SS..  trans63.231.4-179.200000114D115 D119D115-G117 PolarHBondContact OD1-N 3.32Å; G117-D119 PolarHBondContact O-N 3.06Å
118W72.5Confident88.6Confident217 Ų21775.8 Ų75.882%0.82239%0.391SS*.  trans-81.7104167.3-44.584.9000107N116N116-W118 VanDerWaalsContact C-N 3.29Å; N116-W118 HydrophobicContact CB-CG 4.27Å; N116-W118 PolarHBondContact ND2-NE1 3.27Å; N116-W118 PolarHBondContact O-N 2.68Å
119D56.8Low87.7Confident230 Ų23082.1 Ų82.1100%1.2342%0.423SS*.  trans-82.10156.6-79.5-40000109.6G117G117-D119 PolarHBondContact O-N 3.06Å

Retrieved 119 of 119 residues in 51.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).