A0A077ZL66_TRITR Loading...

Large ribosomal subunit protein uL24m

Component of the ribosome, a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. The small ribosomal subunit (SSU) binds messenger RNAs (mRNAs) and translates the encoded message by selecting cognate aminoacyl-transfer RNA (tRNA) molecules. The large subunit (LSU) contains the ribosomal catalytic site termed the peptidyl transferase center (PTC), which catalyzes the formation of peptide bonds, thereby polymerizing the amino acids delivered by tRNAs into a polypeptide chain. The nascent polypeptides leave the ribosome through a tunnel in the LSU and interact with protein factors that function in enzymatic processing, targeting, and the membrane insertion of nascent chains at the exit of the ribosomal tunnel.

AlphaFold DB , UniProt , Accession A0A077ZL66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M89.4Confident95Very high65 Ų6558.4 Ų58.432%0.3229%0.287SS..  0120.20-176.5175.4-172.500107.8Y32 A33 T65 K67M1-Y32 HydrophobicContact CE-CD1 3.15Å; M1-Y32 HydrophobicContact CE-CD2 3.25Å; M1-Y32 HydrophobicContact CE-CE1 3.32Å; M1-Y32 HydrophobicContact CE-CE2 3.39Å; M1-Y32 HydrophobicContact CE-CG 3.11Å; M1-Y32 VanDerWaalsContact CE-CZ 3.42Å; M1-Y32 HydrophobicContact CG-CD1 4.02Å; M1-Y32 HydrophobicContact CG-CG 4.2Å; M1-Y32 HydrophobicContact SD-CD1 4.36Å; M1-Y32 HydrophobicContact SD-CG 4.45Å; M1-A33 CarbonylContact C-O 3.46Å; M1-A33 WeakPolarHBondContact CA-O 3.37Å; M1-T65 VanDerWaalsContact N-CB 3.26Å; M1-T65 PolarHBondContact N-OG1 3.04Å; M1-K67 HydrophobicContact CB-CB 3.76Å; M1-K67 HydrophobicContact CB-CD 3.39Å; M1-K67 HydrophobicContact CB-CG 4.17Å; M1-K67 HydrophobicContact CG-CD 4.11Å; M1-K67 HydrophobicContact SD-CD 3.42Å; M1-K67 WeakPolarHBondContact SD-CD 3.33Å; M1-K67 PolarHBondContact SD-NZ 2.99Å
2I94.9Very high94.4Very high0 Ų053.9 Ų53.90%027%0.266CS..BIsolated β-bridgetrans-119.7135.8-176.9-54.7-59.3000106.3T6 L8 C21 Y32 A33 I39 V62 T65 N82I2-T6 HydrophobicContact CD1-CG2 3.84Å; I2-T6 HydrophobicContact CG2-CG2 4.04Å; I2-L8 HydrophobicContact CD1-CD2 3.66Å; I2-L8 HydrophobicContact CD1-CG 4.14Å; I2-L8 HydrophobicContact CG1-CD2 3.95Å; I2-L8 HydrophobicContact CG2-CD1 3.98Å; I2-L8 HydrophobicContact CG2-CD2 4.23Å; I2-C21 HydrophobicContact CG2-CB 3.91Å; I2-Y32 CarbonylContact O-C 3.6Å; I2-Y32 WeakPolarHBondContact O-CA 3.33Å; I2-A33 HydrophobicContact CB-CB 4.15Å; I2-A33 PolarHBondContact N-O 2.78Å; I2-A33 PolarHBondContact O-N 3.18Å; I2-I39 HydrophobicContact CG2-CD1 4.15Å; I2-V62 HydrophobicContact CG1-CG1 3.94Å; I2-V62 HydrophobicContact CG1-CG2 4.08Å; I2-T65 HydrophobicContact CD1-CG2 4.05Å; I2-T65 HydrophobicContact CG1-CG2 3.92Å; I2-N82 HydrophobicContact CD1-CB 3.71Å
3Q95.1Very high93.8Very high99 Ų9954.5 Ų54.546%0.46327%0.271SS..  trans-127.7174.4174.761.9-175.126.300109.1T6 C21 Y32Q3-T6 VanDerWaalsContact CG-OG1 3.31Å; Q3-T6 WeakPolarHBondContact CG-OG1 3.38Å; Q3-T6 PolarHBondContact N-OG1 3.26Å; Q3-T6 WeakPolarHBondContact O-CB 3.34Å; Q3-T6 PolarHBondContact O-N 3.45Å; Q3-T6 PolarHBondContact O-OG1 3.38Å; Q3-C21 WeakPolarHBondContact O-CB 3.35Å; Q3-Y32 HydrophobicContact CB-CD1 3.9Å; Q3-Y32 HydrophobicContact CB-CE1 4.05Å
4E95.3Very high93.3Very high112 Ų11250.8 Ų50.852%0.52325%0.252SS..THydrogen-bonded Turntrans-53.5146.2172.3-57-172167.100110.8T6 I22E4-T6 PolarHBondContact O-N 3.21Å; E4-T6 VanDerWaalsContact O-N 3.08Å; E4-I22 VanDerWaalsContact CD-O 3.32Å; E4-I22 VanDerWaalsContact CG-O 3.3Å; E4-I22 WeakPolarHBondContact CG-O 3.34Å
5Q95.1Very high92.9Very high156 Ų15648.1 Ų48.173%0.72924%0.243SC*.THydrogen-bonded Turntrans64.10-172.1-53.5-179.1-16.400116.1M7 C21Q5-M7 PolarHBondContact O-N 2.82Å; Q5-C21 WeakPolarHBondContact CA-O 3.4Å; Q5-C21 PolarHBondContact N-O 3.34Å
6T97.3Very high92.9Very high26 Ų2645.6 Ų45.616%0.1623%0.232CC..  trans-65.3130.4174.2-58.90000110.3I2 Q3 E4 L8 C21I2-T6 HydrophobicContact CD1-CG2 3.84Å; I2-T6 HydrophobicContact CG2-CG2 4.04Å; Q3-T6 VanDerWaalsContact CG-OG1 3.31Å; Q3-T6 WeakPolarHBondContact CG-OG1 3.38Å; Q3-T6 PolarHBondContact N-OG1 3.26Å; Q3-T6 WeakPolarHBondContact O-CB 3.34Å; Q3-T6 PolarHBondContact O-N 3.45Å; Q3-T6 PolarHBondContact O-OG1 3.38Å; E4-T6 PolarHBondContact O-N 3.21Å; E4-T6 VanDerWaalsContact O-N 3.08Å; T6-L8 HydrophobicContact CG2-CD1 4.43Å; T6-L8 VanDerWaalsContact O-CD1 3.31Å; T6-L8 WeakPolarHBondContact O-CD1 3.4Å; T6-C21 PolarHBondContact O-N 3.19Å
7M97.5Very high92.9Very high78 Ų7848.5 Ų48.538%0.38424%0.239SC..EExtended strand (participates in β ladder)trans-83.3133.9172.6-66.1-65.4-70.900110.7Q5 R18 V19 M20 K44Q5-M7 PolarHBondContact O-N 2.82Å; M7-R18 HydrophobicContact CE-CB 4.09Å; M7-V19 WeakPolarHBondContact CA-O 3.14Å; M7-M20 HydrophobicContact SD-CB 3.73Å; M7-M20 HydrophobicContact SD-CE 3.66Å; M7-M20 HydrophobicContact SD-CG 4.13Å; M7-K44 HydrophobicContact CE-CB 4.16Å; M7-K44 HydrophobicContact CE-CG 4.1Å; M7-K44 HydrophobicContact SD-CG 4.29Å
8L97.1Very high93.1Very high1 Ų152.1 Ų52.11%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-127.9145.3176.2-56.296000110.4I2 T6 R18 V19 C21 I39 V62 N82 C84I2-L8 HydrophobicContact CD1-CD2 3.66Å; I2-L8 HydrophobicContact CD1-CG 4.14Å; I2-L8 HydrophobicContact CG1-CD2 3.95Å; I2-L8 HydrophobicContact CG2-CD1 3.98Å; I2-L8 HydrophobicContact CG2-CD2 4.23Å; T6-L8 HydrophobicContact CG2-CD1 4.43Å; T6-L8 VanDerWaalsContact O-CD1 3.31Å; T6-L8 WeakPolarHBondContact O-CD1 3.4Å; L8-R18 WeakPolarHBondContact O-CA 3.35Å; L8-V19 HydrophobicContact CB-CG2 3.98Å; L8-V19 HydrophobicContact CD1-CG2 4.47Å; L8-V19 PolarHBondContact N-O 2.86Å; L8-V19 PolarHBondContact O-N 2.74Å; L8-C21 HydrophobicContact CD1-CB 4.09Å; L8-I39 HydrophobicContact CD1-CD1 3.94Å; L8-I39 HydrophobicContact CD2-CD1 4.09Å; L8-V62 HydrophobicContact CD2-CG2 4.46Å; L8-N82 HydrophobicContact CB-CB 4.44Å; L8-N82 HydrophobicContact CD2-CB 4.18Å; L8-N82 HydrophobicContact CG-CB 4.04Å; L8-C84 HydrophobicContact CD2-CB 4.11Å
9N96.3Very high93.3Very high85 Ų8549.3 Ų49.346%0.45524%0.236SC..EExtended strand (participates in β ladder)trans-80.1144.5168.1-67.1-20.6000109.8N82 A83 C84N9-N82 PolarHBondContact N-O 2.94Å; N9-A83 HydrophobicContact CB-CB 4.46Å; N9-A83 CarbonylContact O-C 3.59Å; N9-A83 WeakPolarHBondContact O-CA 3.41Å; N9-A83 VanDerWaalsContact O-CB 3.32Å; N9-A83 WeakPolarHBondContact O-CB 3.21Å; N9-C84 PolarHBondContact O-N 3.26Å
10V94.8Very high93.6Very high19 Ų1949.4 Ų49.412%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-84.5125.9174.3179.10000109D12 A16 R17 V19 C84 L86V10-D12 WeakPolarHBondContact CG1-OD1 3.29Å; V10-A16 HydrophobicContact CB-CB 4.24Å; V10-A16 WeakPolarHBondContact CB-O 3.48Å; V10-A16 HydrophobicContact CG1-CB 4.22Å; V10-A16 HydrophobicContact CG2-CB 3.71Å; V10-R17 PolarHBondContact N-O 3.38Å; V10-V19 HydrophobicContact CG2-CB 4.47Å; V10-V19 HydrophobicContact CG2-CG1 3.49Å; V10-V19 VanDerWaalsContact CG2-CG1 3.49Å; V10-V19 HydrophobicContact CG2-CG2 4.29Å; V10-C84 WeakPolarHBondContact CA-O 3.5Å; V10-L86 HydrophobicContact CG1-CD2 4.41Å; V10-L86 HydrophobicContact CG1-CG 4.03Å; V10-L86 HydrophobicContact CG2-CD2 4.17Å
11A92Very high93.7Very high1 Ų147 Ų471%0.00823%0.226CC..  trans-10330.2-176.100000111.5V63 A83 C84 V85 I99 F100A11-V63 HydrophobicContact CB-CG2 3.82Å; A11-A83 HydrophobicContact CB-CB 4.04Å; A11-C84 PolarHBondContact N-O 2.87Å; A11-V85 HydrophobicContact CB-CG2 4.3Å; A11-I99 CarbonylContact O-C 3.58Å; A11-I99 VanDerWaalsContact O-CA 3.24Å; A11-I99 WeakPolarHBondContact O-CA 3.41Å; A11-I99 VanDerWaalsContact O-CG2 3.29Å; A11-I99 WeakPolarHBondContact O-CG2 3.37Å; A11-F100 PolarHBondContact O-N 3.19Å
12D88.8Confident94Very high5 Ų547.3 Ų47.33%0.02723%0.228CC..BIsolated β-bridgetrans-140.4172.1177.268.325.9000111.5V10 S14 V85 L86 R98 F100V10-D12 WeakPolarHBondContact CG1-OD1 3.29Å; D12-S14 VanDerWaalsContact C-N 3.27Å; D12-S14 PolarHBondContact O-N 2.79Å; D12-S14 WeakPolarHBondContact OD1-CB 3.48Å; D12-S14 PolarHBondContact OD1-N 2.98Å; D12-S14 PolarHBondContact OD1-OG 3.01Å; D12-V85 HydrophobicContact CB-CG1 4.16Å; D12-V85 HydrophobicContact CB-CG2 4.46Å; D12-V85 WeakPolarHBondContact OD2-CG1 3.29Å; D12-L86 PolarHBondContact OD2-N 3.2Å; D12-R98 CarbonylContact C-O 3.57Å; D12-R98 WeakPolarHBondContact CA-O 3.38Å; D12-R98 VanDerWaalsContact CB-O 3.28Å; D12-R98 WeakPolarHBondContact CB-O 3.43Å; D12-F100 WeakPolarHBondContact O-CD2 3.47Å; D12-F100 WeakPolarHBondContact O-CE2 3.3Å
13N86.1Confident94.1Very high62 Ų6252.7 Ų52.733%0.33225%0.251SS..SBendtrans-88.728.6177.770.5-26.4000113.7G15 G96 T97 R98 F100N13-G15 PolarHBondContact O-N 3Å; N13-G96 WeakPolarHBondContact OD1-CA 3.36Å; N13-T97 PolarHBondContact ND2-OG1 2.94Å; N13-T97 PolarHBondContact OD1-N 2.79Å; N13-R98 HydrophobicContact CB-CB 4.39Å; N13-R98 PolarHBondContact N-O 3.2Å; N13-R98 PolarHBondContact OD1-N 3.47Å; N13-R98 PolarHBondContact OD1-O 3.49Å; N13-F100 HydrophobicContact CB-CE2 3.93Å; N13-F100 HydrophobicContact CB-CZ 3.63Å
14S86.9Confident94.1Very high2 Ų248.1 Ų48.11%0.01423%0.23CC..SBendtrans-68-19.7177.160.10000113.8D12 A16 L86D12-S14 VanDerWaalsContact C-N 3.27Å; D12-S14 PolarHBondContact O-N 2.79Å; D12-S14 WeakPolarHBondContact OD1-CB 3.48Å; D12-S14 PolarHBondContact OD1-N 2.98Å; D12-S14 PolarHBondContact OD1-OG 3.01Å; S14-A16 PolarHBondContact OG-N 3.47Å; S14-L86 WeakPolarHBondContact OG-CD1 3.36Å
15G87.2Confident93.9Very high11 Ų1145.1 Ų45.111%0.11322%0.217CC..SBendtrans98.1-7.5-174.800000113.9N13 A46 I47N13-G15 PolarHBondContact O-N 3Å; G15-A46 CarbonylContact O-C 3.57Å; G15-A46 WeakPolarHBondContact O-CA 3.36Å; G15-I47 WeakPolarHBondContact O-CG1 3.5Å; G15-I47 PolarHBondContact O-N 2.71Å
16A93.4Very high93.5Very high7 Ų741 Ų416%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-78149.6167.200000111.2V10 S14 I43 V52 L86V10-A16 HydrophobicContact CB-CB 4.24Å; V10-A16 WeakPolarHBondContact CB-O 3.48Å; V10-A16 HydrophobicContact CG1-CB 4.22Å; V10-A16 HydrophobicContact CG2-CB 3.71Å; S14-A16 PolarHBondContact OG-N 3.47Å; A16-I43 HydrophobicContact CB-CD1 4.08Å; A16-I43 HydrophobicContact CB-CG1 4.41Å; A16-I43 HydrophobicContact CB-CG2 4.12Å; A16-V52 HydrophobicContact CB-CG2 3.75Å; A16-L86 HydrophobicContact CB-CD1 3.76Å
17R92Very high93Very high96 Ų9641.8 Ų41.836%0.36223%0.23SC..EExtended strand (participates in β ladder)trans-111.5-52.4176.7-67.8-170.5-179.9150.819112.2V10 E45 D343 K346V10-R17 PolarHBondContact N-O 3.38Å; R17-E45 HydrophobicContact CB-CB 4.08Å; R17-E45 PolarHBondContact N-O 3.3Å; R17-D343 IonicContact NH2-OD2 2.73Å; R17-D343 PolarHBondContact NH2-OD2 2.92Å; R17-K346 VanDerWaalsContact CZ-NZ 3.35Å; R17-K346 VanDerWaalsContact NH2-NZ 3.19Å
18R96.2Very high92.3Very high112 Ų11244 Ų4442%0.42325%0.253SS..EExtended strand (participates in β ladder)trans-130136-179.4-75.2-167.5-94.3-171.7-2.8110.6M7 L8 K44 E45M7-R18 HydrophobicContact CE-CB 4.09Å; L8-R18 WeakPolarHBondContact O-CA 3.35Å; R18-K44 PolarHBondContact O-N 2.85Å; R18-E45 HydrophobicContact CB-CB 4.15Å; R18-E45 HydrophobicContact CB-CG 4.32Å; R18-E45 IonicContact CZ-OE1 3Å; R18-E45 IonicContact CZ-OE2 2.75Å; R18-E45 PolarHBondContact N-O 3.3Å; R18-E45 IonicContact NE-OE1 4Å; R18-E45 PolarHBondContact NE-OE1 3.07Å; R18-E45 VanDerWaalsContact NE-OE1 3.13Å; R18-E45 IonicContact NE-OE2 3.58Å; R18-E45 PolarHBondContact NE-OE2 3.47Å; R18-E45 IonicContact NH2-OE1 3.13Å; R18-E45 PolarHBondContact NH2-OE1 2.88Å; R18-E45 IonicContact NH2-OE2 3.32Å; R18-E45 PolarHBondContact NH2-OE2 2.84Å; R18-E45 VanDerWaalsContact NH2-OE2 3.15Å; R18-E45 PolarHBondContact O-N 2.96Å
19V97.7Very high91.8Very high0 Ų052.4 Ų52.40%029%0.292CS..EExtended strand (participates in β ladder)trans-128156176.5-57.90000110.1M7 L8 V10 I41 T42 I43 C84 L86M7-V19 WeakPolarHBondContact CA-O 3.14Å; L8-V19 HydrophobicContact CB-CG2 3.98Å; L8-V19 HydrophobicContact CD1-CG2 4.47Å; L8-V19 PolarHBondContact N-O 2.86Å; L8-V19 PolarHBondContact O-N 2.74Å; V10-V19 HydrophobicContact CG2-CB 4.47Å; V10-V19 HydrophobicContact CG2-CG1 3.49Å; V10-V19 VanDerWaalsContact CG2-CG1 3.49Å; V10-V19 HydrophobicContact CG2-CG2 4.29Å; V19-I41 HydrophobicContact CB-CB 4.06Å; V19-I41 HydrophobicContact CB-CD1 4.02Å; V19-I41 HydrophobicContact CB-CG1 4.2Å; V19-I41 HydrophobicContact CG1-CD1 3.78Å; V19-I41 HydrophobicContact CG1-CG1 4.35Å; V19-I41 HydrophobicContact CG2-CB 4.13Å; V19-I41 HydrophobicContact CG2-CG1 4.29Å; V19-I41 HydrophobicContact CG2-CG2 4.17Å; V19-T42 CarbonylContact C-O 3.57Å; V19-T42 VanDerWaalsContact CA-O 3.26Å; V19-T42 WeakPolarHBondContact CA-O 3.41Å; V19-T42 WeakPolarHBondContact CB-O 3.44Å; V19-I43 HydrophobicContact CG1-CG1 4.12Å; V19-C84 WeakPolarHBondContact CG2-SG 3.44Å; V19-L86 HydrophobicContact CG1-CD2 4.18Å
20M98.2Very high91.5Very high50 Ų5052.7 Ų52.725%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-113.2132.9173.5-178.3-178.4-79.800109M7 I22 I41 T42 K44M7-M20 HydrophobicContact SD-CB 3.73Å; M7-M20 HydrophobicContact SD-CE 3.66Å; M7-M20 HydrophobicContact SD-CG 4.13Å; M20-I22 PolarHBondContact O-N 3.32Å; M20-I41 CarbonylContact O-C 3.58Å; M20-I41 WeakPolarHBondContact O-CA 3.28Å; M20-I41 WeakPolarHBondContact O-CB 3.18Å; M20-T42 HydrophobicContact CB-CG2 3.91Å; M20-T42 PolarHBondContact N-O 2.82Å; M20-T42 PolarHBondContact O-N 3.48Å; M20-K44 HydrophobicContact CB-CD 4.4Å; M20-K44 HydrophobicContact CB-CG 3.9Å; M20-K44 VanDerWaalsContact SD-CE 3.57Å
21C97.4Very high91.4Very high1 Ų160.8 Ų60.81%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-67.7122.5170.3-175.90000109.9I2 Q3 Q5 T6 L8 I39I2-C21 HydrophobicContact CG2-CB 3.91Å; Q3-C21 WeakPolarHBondContact O-CB 3.35Å; Q5-C21 WeakPolarHBondContact CA-O 3.4Å; Q5-C21 PolarHBondContact N-O 3.34Å; T6-C21 PolarHBondContact O-N 3.19Å; L8-C21 HydrophobicContact CD1-CB 4.09Å; C21-I39 HydrophobicContact CB-CD1 4.2Å
22I96Very high91.5Very high70 Ų7065.8 Ų65.836%0.35934%0.335SS..EExtended strand (participates in β ladder)trans-91-44.2173.2-61.7169000110E4 M20 K40 T42 V57E4-I22 VanDerWaalsContact CD-O 3.32Å; E4-I22 VanDerWaalsContact CG-O 3.3Å; E4-I22 WeakPolarHBondContact CG-O 3.34Å; M20-I22 PolarHBondContact O-N 3.32Å; I22-K40 PolarHBondContact N-O 2.79Å; I22-T42 HydrophobicContact CD1-CG2 3.79Å; I22-T42 HydrophobicContact CG1-CG2 3.79Å; I22-V57 HydrophobicContact CD1-CG1 3.9Å; I22-V57 HydrophobicContact CD1-CG2 4.03Å
23K95Very high91.8Very high114 Ų11465.6 Ų65.650%0.49633%0.334SS..EExtended strand (participates in β ladder)trans-150.4140.8-174.3-176.9170.4-176.2171.70111.2L25 K40K23-L25 HydrophobicContact CG-CD2 4.49Å; K23-K40 HydrophobicContact CB-CB 4.15Å; K23-K40 PolarHBondContact N-O 3.3Å; K23-K40 PolarHBondContact O-N 3.39Å
24V95.4Very high92Very high3 Ų363.9 Ų63.92%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-86.6131169.9179.20000109.6R30 A33 I39V24-R30 HydrophobicContact CG1-CG 3.92Å; V24-A33 HydrophobicContact CG1-CB 3.79Å; V24-A33 HydrophobicContact CG2-CB 4.11Å; V24-I39 HydrophobicContact CG2-CG2 4.43Å
25L92.2Very high92.2Very high48 Ų4865 Ų6525%0.25134%0.338SS..  trans-95.7160.3-179.6-53.8179.7000112.1K23 R30 I38 K40 K59K23-L25 HydrophobicContact CG-CD2 4.49Å; L25-R30 WeakPolarHBondContact O-CD 3.38Å; L25-R30 PolarHBondContact O-NH1 3.21Å; L25-R30 VanDerWaalsContact O-NH1 3.07Å; L25-I38 WeakPolarHBondContact CB-O 3.38Å; L25-I38 HydrophobicContact CD1-CG2 3.92Å; L25-I38 PolarHBondContact N-O 2.95Å; L25-K40 HydrophobicContact CD2-CB 4.47Å; L25-K59 HydrophobicContact CD1-CD 4.31Å; L25-K59 HydrophobicContact CD1-CG 4.17Å
26G87Confident92.2Very high70 Ų7066.9 Ų66.972%0.72236%0.357SS*.SBendtrans101.821175.700000116
27G85.4Confident92.2Very high43 Ų4368.3 Ų68.344%0.44336%0.364SS..SBendtrans161.6148.7170.200000113.1H29 R30G27-H29 VanDerWaalsContact C-N 3.31Å; G27-H29 PolarHBondContact O-N 2.82Å; G27-R30 PolarHBondContact O-N 2.95Å
28S84.1Confident92.3Very high124 Ų12465.8 Ų65.887%0.86736%0.357SS*.THydrogen-bonded Turntrans-62.7-33.1-175.1-54.90000113.9
29H86.7Confident92.3Very high178 Ų17860.4 Ų60.482%0.82434%0.337SS*.THydrogen-bonded Turntrans-109.713.7-179.1-58.6-62.7000113.4G27 R31G27-H29 VanDerWaalsContact C-N 3.31Å; G27-H29 PolarHBondContact O-N 2.82Å; H29-R31 PolarHBondContact O-N 2.89Å
30R89.3Confident92.2Very high90 Ų9064.6 Ų64.634%0.3436%0.355SS..  trans-76109.3-176.2-170179.1-178.6172.715.3110.5V24 L25 G27 Y32 D37V24-R30 HydrophobicContact CG1-CG 3.92Å; L25-R30 WeakPolarHBondContact O-CD 3.38Å; L25-R30 PolarHBondContact O-NH1 3.21Å; L25-R30 VanDerWaalsContact O-NH1 3.07Å; G27-R30 PolarHBondContact O-N 2.95Å; R30-Y32 PolarHBondContact NE-O 2.91Å; R30-D37 IonicContact CZ-OD1 2.84Å; R30-D37 IonicContact CZ-OD2 2.99Å; R30-D37 IonicContact NH1-OD1 2.76Å; R30-D37 PolarHBondContact NH1-OD1 2.88Å; R30-D37 IonicContact NH2-OD1 3.44Å; R30-D37 PolarHBondContact NH2-OD1 3.44Å; R30-D37 IonicContact NH2-OD2 3.71Å; R30-D37 PolarHBondContact NH2-OD2 2.79Å
31R92.1Very high92.2Very high190 Ų19062.2 Ų62.272%0.71734%0.343SS*.  trans-87.2-20.4-177.8-62.5-177-178.2-174.8-0.5114.6H29H29-R31 PolarHBondContact O-N 2.89Å
32Y94.9Very high92.2Very high105 Ų10562.9 Ų62.941%0.41235%0.347SS..  trans-136.9136.5-166-54.7-62.2000113.3M1 I2 Q3 R30M1-Y32 HydrophobicContact CE-CD1 3.15Å; M1-Y32 HydrophobicContact CE-CD2 3.25Å; M1-Y32 HydrophobicContact CE-CE1 3.32Å; M1-Y32 HydrophobicContact CE-CE2 3.39Å; M1-Y32 HydrophobicContact CE-CG 3.11Å; M1-Y32 VanDerWaalsContact CE-CZ 3.42Å; M1-Y32 HydrophobicContact CG-CD1 4.02Å; M1-Y32 HydrophobicContact CG-CG 4.2Å; M1-Y32 HydrophobicContact SD-CD1 4.36Å; M1-Y32 HydrophobicContact SD-CG 4.45Å; I2-Y32 CarbonylContact O-C 3.6Å; I2-Y32 WeakPolarHBondContact O-CA 3.33Å; Q3-Y32 HydrophobicContact CB-CD1 3.9Å; Q3-Y32 HydrophobicContact CB-CE1 4.05Å; R30-Y32 PolarHBondContact NE-O 2.91Å
33A94Very high92.3Very high2 Ų259.6 Ų59.62%0.01733%0.33CS..BIsolated β-bridgetrans-107.2135.3172.100000110.9M1 I2 V24 D37 I39 V62M1-A33 CarbonylContact C-O 3.46Å; M1-A33 WeakPolarHBondContact CA-O 3.37Å; I2-A33 HydrophobicContact CB-CB 4.15Å; I2-A33 PolarHBondContact N-O 2.78Å; I2-A33 PolarHBondContact O-N 3.18Å; V24-A33 HydrophobicContact CG1-CB 3.79Å; V24-A33 HydrophobicContact CG2-CB 4.11Å; A33-D37 HydrophobicContact CB-CB 3.91Å; A33-I39 HydrophobicContact CB-CG2 3.42Å; A33-I39 VanDerWaalsContact CB-CG2 3.42Å; A33-V62 HydrophobicContact CB-CG2 4.36Å
34G91.3Very high92.4Very high26 Ų2657.8 Ų57.827%0.26832%0.323SS..  trans-95-167.7167.700000111.5D37 V62G34-D37 WeakPolarHBondContact CA-OD2 3.22Å; G34-D37 PolarHBondContact N-OD2 3.13Å; G34-V62 VanDerWaalsContact O-CB 3.27Å; G34-V62 WeakPolarHBondContact O-CB 3.37Å; G34-V62 WeakPolarHBondContact O-CG1 3.35Å
35V90Very high92.4Very high26 Ų2661 Ų6116%0.15834%0.338CS..THydrogen-bonded Turntrans-74.4135.9173.1-176.60000109.9D37 V63 T65 V69 Y104V35-D37 VanDerWaalsContact C-N 3.33Å; V35-V63 WeakPolarHBondContact CG1-O 3.43Å; V35-T65 HydrophobicContact CG2-CG2 3.78Å; V35-V69 HydrophobicContact CB-CG2 4.43Å; V35-V69 HydrophobicContact CG2-CG2 3.78Å; V35-Y104 HydrophobicContact CB-CD1 3.94Å; V35-Y104 HydrophobicContact CB-CE1 4.36Å; V35-Y104 HydrophobicContact CB-CG 4.14Å; V35-Y104 VanDerWaalsContact CG1-CB 3.46Å; V35-Y104 HydrophobicContact CG1-CD1 3.42Å; V35-Y104 VanDerWaalsContact CG1-CD1 3.42Å; V35-Y104 HydrophobicContact CG1-CE1 4.28Å; V35-Y104 HydrophobicContact CG1-CG 3.56Å; V35-Y104 HydrophobicContact CG2-CG 4.42Å
36G88.9Confident92.4Very high50 Ų5060 Ų6052%0.51534%0.336SS..THydrogen-bonded Turntrans90.4-11.1-176.600000114.2V62G36-V62 PolarHBondContact N-O 2.84Å
37D92.1Very high92.5Very high37 Ų3758.6 Ų58.620%0.19831%0.311CS..  trans-78.3146.3176.3-69.5-47.6000111.6R30 A33 G34 V35 V62R30-D37 IonicContact CZ-OD1 2.84Å; R30-D37 IonicContact CZ-OD2 2.99Å; R30-D37 IonicContact NH1-OD1 2.76Å; R30-D37 PolarHBondContact NH1-OD1 2.88Å; R30-D37 IonicContact NH2-OD1 3.44Å; R30-D37 PolarHBondContact NH2-OD1 3.44Å; R30-D37 IonicContact NH2-OD2 3.71Å; R30-D37 PolarHBondContact NH2-OD2 2.79Å; A33-D37 HydrophobicContact CB-CB 3.91Å; G34-D37 WeakPolarHBondContact CA-OD2 3.22Å; G34-D37 PolarHBondContact N-OD2 3.13Å; V35-D37 VanDerWaalsContact C-N 3.33Å; D37-V62 PolarHBondContact O-N 3.42Å
38I94.3Very high92.5Very high42 Ų4261.2 Ų61.222%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-88.7132.6173.3-53.4179000109.1L25 K59 A60 L87 E92L25-I38 WeakPolarHBondContact CB-O 3.38Å; L25-I38 HydrophobicContact CD1-CG2 3.92Å; L25-I38 PolarHBondContact N-O 2.95Å; I38-K59 HydrophobicContact CG2-CB 3.96Å; I38-K59 HydrophobicContact CG2-CD 4.22Å; I38-K59 HydrophobicContact CG2-CG 4.21Å; I38-A60 CarbonylContact C-O 3.51Å; I38-A60 WeakPolarHBondContact CA-O 3.12Å; I38-L87 HydrophobicContact CD1-CD1 4.1Å; I38-L87 HydrophobicContact CG1-CD1 4.25Å; I38-L87 HydrophobicContact CG2-CD1 4.3Å; I38-E92 WeakPolarHBondContact CD1-OE2 3.42Å
39I96Very high92.5Very high0 Ų067.7 Ų67.70%033%0.326CS..EExtended strand (participates in β ladder)trans-123.7151.5177.355.2167.2000109.7I2 L8 C21 V24 A33 I41 K59 A60 V62I2-I39 HydrophobicContact CG2-CD1 4.15Å; L8-I39 HydrophobicContact CD1-CD1 3.94Å; L8-I39 HydrophobicContact CD2-CD1 4.09Å; C21-I39 HydrophobicContact CB-CD1 4.2Å; V24-I39 HydrophobicContact CG2-CG2 4.43Å; A33-I39 HydrophobicContact CB-CG2 3.42Å; A33-I39 VanDerWaalsContact CB-CG2 3.42Å; I39-I41 HydrophobicContact CB-CG2 4.49Å; I39-I41 HydrophobicContact CD1-CG2 3.48Å; I39-I41 VanDerWaalsContact CD1-CG2 3.48Å; I39-I41 HydrophobicContact CG1-CG2 3.69Å; I39-K59 CarbonylContact O-C 3.49Å; I39-K59 WeakPolarHBondContact O-CA 3.34Å; I39-A60 HydrophobicContact CG1-CB 4.34Å; I39-A60 VanDerWaalsContact CG1-O 3.31Å; I39-A60 WeakPolarHBondContact CG1-O 3.46Å; I39-A60 PolarHBondContact N-O 2.96Å; I39-A60 PolarHBondContact O-N 2.78Å; I39-V62 HydrophobicContact CD1-CG2 3.77Å; I39-V62 HydrophobicContact CG1-CG2 3.95Å; I39-V62 HydrophobicContact CG2-CG2 4Å
40K96.7Very high92.1Very high87 Ų8760.5 Ų60.538%0.37830%0.299SS..EExtended strand (participates in β ladder)trans-87.6128167.8-164.2168.8-175.7176.10108.2I22 K23 L25 V57I22-K40 PolarHBondContact N-O 2.79Å; K23-K40 HydrophobicContact CB-CB 4.15Å; K23-K40 PolarHBondContact N-O 3.3Å; K23-K40 PolarHBondContact O-N 3.39Å; L25-K40 HydrophobicContact CD2-CB 4.47Å; K40-V57 HydrophobicContact CD-CG1 4.25Å; K40-V57 HydrophobicContact CG-CG1 3.97Å
41I97.4Very high91.9Very high0 Ų062.9 Ų62.90%031%0.313CS..EExtended strand (participates in β ladder)trans-125.5158.1-175.564.472.9000111.4V19 M20 I39 I43 V57 L58 A60 L86V19-I41 HydrophobicContact CB-CB 4.06Å; V19-I41 HydrophobicContact CB-CD1 4.02Å; V19-I41 HydrophobicContact CB-CG1 4.2Å; V19-I41 HydrophobicContact CG1-CD1 3.78Å; V19-I41 HydrophobicContact CG1-CG1 4.35Å; V19-I41 HydrophobicContact CG2-CB 4.13Å; V19-I41 HydrophobicContact CG2-CG1 4.29Å; V19-I41 HydrophobicContact CG2-CG2 4.17Å; M20-I41 CarbonylContact O-C 3.58Å; M20-I41 WeakPolarHBondContact O-CA 3.28Å; M20-I41 WeakPolarHBondContact O-CB 3.18Å; I39-I41 HydrophobicContact CB-CG2 4.49Å; I39-I41 HydrophobicContact CD1-CG2 3.48Å; I39-I41 VanDerWaalsContact CD1-CG2 3.48Å; I39-I41 HydrophobicContact CG1-CG2 3.69Å; I41-I43 HydrophobicContact CD1-CG1 4.08Å; I41-V57 CarbonylContact O-C 3.51Å; I41-V57 VanDerWaalsContact O-CA 3.3Å; I41-V57 WeakPolarHBondContact O-CA 3.33Å; I41-L58 HydrophobicContact CD1-CB 3.94Å; I41-L58 PolarHBondContact N-O 3.32Å; I41-L58 PolarHBondContact O-N 3.38Å; I41-A60 HydrophobicContact CG1-CB 3.74Å; I41-A60 HydrophobicContact CG2-CB 3.99Å; I41-L86 HydrophobicContact CD1-CD2 4.02Å; I41-L86 HydrophobicContact CG1-CD2 4.23Å
42T97.8Very high91.8Very high15 Ų1554.1 Ų54.19%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-117.1138.7163.8175.60000109.7V19 M20 I22 K44 G55 D56V19-T42 CarbonylContact C-O 3.57Å; V19-T42 VanDerWaalsContact CA-O 3.26Å; V19-T42 WeakPolarHBondContact CA-O 3.41Å; V19-T42 WeakPolarHBondContact CB-O 3.44Å; M20-T42 HydrophobicContact CB-CG2 3.91Å; M20-T42 PolarHBondContact N-O 2.82Å; M20-T42 PolarHBondContact O-N 3.48Å; I22-T42 HydrophobicContact CD1-CG2 3.79Å; I22-T42 HydrophobicContact CG1-CG2 3.79Å; T42-K44 HydrophobicContact CG2-CD 4.21Å; T42-K44 PolarHBondContact O-N 2.87Å; T42-G55 PolarHBondContact OG1-O 2.89Å; T42-D56 CarbonylContact C-O 3.39Å; T42-D56 VanDerWaalsContact CA-O 3.31Å; T42-D56 WeakPolarHBondContact CA-O 3.15Å
43I97.3Very high91.8Very high1 Ų156.4 Ų56.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-76.1119.4177.5-59.7-176.1000109.9A16 V19 I41 A46 V52 K53 G55 D56 L58 L86A16-I43 HydrophobicContact CB-CD1 4.08Å; A16-I43 HydrophobicContact CB-CG1 4.41Å; A16-I43 HydrophobicContact CB-CG2 4.12Å; V19-I43 HydrophobicContact CG1-CG1 4.12Å; I41-I43 HydrophobicContact CD1-CG1 4.08Å; I43-A46 HydrophobicContact CG2-CB 3.78Å; I43-V52 HydrophobicContact CD1-CB 3.4Å; I43-V52 VanDerWaalsContact CD1-CB 3.4Å; I43-V52 HydrophobicContact CD1-CG1 4.2Å; I43-V52 HydrophobicContact CD1-CG2 3.49Å; I43-V52 VanDerWaalsContact CD1-CG2 3.49Å; I43-K53 WeakPolarHBondContact CB-O 3.44Å; I43-G55 PolarHBondContact O-N 2.92Å; I43-D56 HydrophobicContact CD1-CB 4.08Å; I43-D56 HydrophobicContact CG1-CB 4.46Å; I43-D56 PolarHBondContact N-O 2.87Å; I43-L58 HydrophobicContact CD1-CD1 3.91Å; I43-L86 HydrophobicContact CD1-CD1 4.15Å
44K97.2Very high91.8Very high77 Ų7764 Ų6434%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-97.3-34.6178.7-64.7-54.8-167.1-173.20112.5M7 R18 M20 T42 K54M7-K44 HydrophobicContact CE-CB 4.16Å; M7-K44 HydrophobicContact CE-CG 4.1Å; M7-K44 HydrophobicContact SD-CG 4.29Å; R18-K44 PolarHBondContact O-N 2.85Å; M20-K44 HydrophobicContact CB-CD 4.4Å; M20-K44 HydrophobicContact CB-CG 3.9Å; M20-K44 VanDerWaalsContact SD-CE 3.57Å; T42-K44 HydrophobicContact CG2-CD 4.21Å; T42-K44 PolarHBondContact O-N 2.87Å; K44-K54 WeakPolarHBondContact O-CD 3.33Å; K44-K54 VanDerWaalsContact O-CE 3.25Å; K44-K54 WeakPolarHBondContact O-CE 3.38Å; K44-K54 WeakPolarHBondContact O-CG 3.37Å
45E95.5Very high91.9Very high71 Ų7164.9 Ų64.933%0.33233%0.334SS..EExtended strand (participates in β ladder)trans-136.5129.7176.9-65176.3-17200109.3R17 R18R17-E45 HydrophobicContact CB-CB 4.08Å; R17-E45 PolarHBondContact N-O 3.3Å; R18-E45 HydrophobicContact CB-CB 4.15Å; R18-E45 HydrophobicContact CB-CG 4.32Å; R18-E45 IonicContact CZ-OE1 3Å; R18-E45 IonicContact CZ-OE2 2.75Å; R18-E45 PolarHBondContact N-O 3.3Å; R18-E45 IonicContact NE-OE1 4Å; R18-E45 PolarHBondContact NE-OE1 3.07Å; R18-E45 VanDerWaalsContact NE-OE1 3.13Å; R18-E45 IonicContact NE-OE2 3.58Å; R18-E45 PolarHBondContact NE-OE2 3.47Å; R18-E45 IonicContact NH2-OE1 3.13Å; R18-E45 PolarHBondContact NH2-OE1 2.88Å; R18-E45 IonicContact NH2-OE2 3.32Å; R18-E45 PolarHBondContact NH2-OE2 2.84Å; R18-E45 VanDerWaalsContact NH2-OE2 3.15Å; R18-E45 PolarHBondContact O-N 2.96Å
46A93.2Very high92.2Very high26 Ų2666.6 Ų66.622%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-143.1158175.400000110.6G15 I43G15-A46 CarbonylContact O-C 3.57Å; G15-A46 WeakPolarHBondContact O-CA 3.36Å; I43-A46 HydrophobicContact CG2-CB 3.78Å
47I88.2Confident92.5Very high41 Ų4167 Ų6721%0.2133%0.334CS..  trans-68.8138.8173.8-56.9173.4000108.6G15 G50G15-I47 WeakPolarHBondContact O-CG1 3.5Å; G15-I47 PolarHBondContact O-N 2.71Å; I47-G50 PolarHBondContact O-N 3.24Å
48P86.7Confident92.8Very high97 Ų9766.3 Ų66.363%0.6333%0.331SS*.THydrogen-bonded Turntrans-53.5140.2172.3-23.834.1000111.4G50P48-G50 PolarHBondContact O-N 2.83Å
49R82.3Confident92.9Very high261 Ų26166.5 Ų66.599%0.98533%0.33SS*.THydrogen-bonded Turntrans56.516.9179.7-57.1179.8176.2141.8-3115.8
50G78.3Confident92.9Very high26 Ų2666.5 Ų66.527%0.26833%0.33SS..  trans-67.4171.7172.600000113.3I47 P48 V52I47-G50 PolarHBondContact O-N 3.24Å; P48-G50 PolarHBondContact O-N 2.83Å; G50-V52 PolarHBondContact O-N 2.81Å; G50-V52 VanDerWaalsContact O-N 3.12Å
51K85Confident92.8Very high141 Ų14163.9 Ų63.961%0.61332%0.321SS*.SBendtrans-59.6-23.3175.8-68.1-176.1176.6-175.80113.1I95K51-I95 HydrophobicContact CD-CG2 4.48Å
52V91.7Very high92.7Very high5 Ų564 Ų643%0.0332%0.321CS..SBendtrans-129144.3-177.9-61.20000109.8A16 I43 G50 L58 L86 I95A16-V52 HydrophobicContact CB-CG2 3.75Å; I43-V52 HydrophobicContact CD1-CB 3.4Å; I43-V52 VanDerWaalsContact CD1-CB 3.4Å; I43-V52 HydrophobicContact CD1-CG1 4.2Å; I43-V52 HydrophobicContact CD1-CG2 3.49Å; I43-V52 VanDerWaalsContact CD1-CG2 3.49Å; G50-V52 PolarHBondContact O-N 2.81Å; G50-V52 VanDerWaalsContact O-N 3.12Å; V52-L58 HydrophobicContact CB-CD1 4.48Å; V52-L58 HydrophobicContact CG1-CD1 3.87Å; V52-L86 HydrophobicContact CG1-CD1 4.35Å; V52-L86 HydrophobicContact CG2-CD1 4.25Å; V52-I95 HydrophobicContact CG1-CD1 4.45Å; V52-I95 HydrophobicContact CG1-CG2 4.05Å
53K93.8Very high92.4Very high153 Ų15364.2 Ų64.267%0.66532%0.323SS*.  trans-108.7155.6-175.9-63.3178.5-177.7176.60111.1I43 G55 D56I43-K53 WeakPolarHBondContact CB-O 3.44Å; K53-G55 PolarHBondContact O-N 2.84Å; K53-D56 PolarHBondContact N-OD2 2.99Å; K53-D56 WeakPolarHBondContact O-CB 3.25Å; K53-D56 VanDerWaalsContact O-CG 3.3Å; K53-D56 PolarHBondContact O-N 3.18Å
54K94.5Very high92.1Very high163 Ų16365.7 Ų65.771%0.70933%0.328SS*.THydrogen-bonded Turntrans-60.6132.2170.5-179.4179.8177.4-175.40109.1K44K44-K54 WeakPolarHBondContact O-CD 3.33Å; K44-K54 VanDerWaalsContact O-CE 3.25Å; K44-K54 WeakPolarHBondContact O-CE 3.38Å; K44-K54 WeakPolarHBondContact O-CG 3.37Å
55G94Very high91.9Very high44 Ų4462.1 Ų62.145%0.45431%0.313SS..THydrogen-bonded Turntrans99.1-23-176.700000113.9T42 I43 K53T42-G55 PolarHBondContact OG1-O 2.89Å; I43-G55 PolarHBondContact O-N 2.92Å; K53-G55 PolarHBondContact O-N 2.84Å
56D95.4Very high91.7Very high61 Ų6164 Ų6433%0.32632%0.32SS..  trans-58.2142-179.1-67.2-10.1000111.3T42 I43 K53T42-D56 CarbonylContact C-O 3.39Å; T42-D56 VanDerWaalsContact CA-O 3.31Å; T42-D56 WeakPolarHBondContact CA-O 3.15Å; I43-D56 HydrophobicContact CD1-CB 4.08Å; I43-D56 HydrophobicContact CG1-CB 4.46Å; I43-D56 PolarHBondContact N-O 2.87Å; K53-D56 PolarHBondContact N-OD2 2.99Å; K53-D56 WeakPolarHBondContact O-CB 3.25Å; K53-D56 VanDerWaalsContact O-CG 3.3Å; K53-D56 PolarHBondContact O-N 3.18Å
57V96.2Very high91.6Very high60 Ų6068.4 Ų68.436%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-110.4115.2179.41800000109.3I22 K40 I41 N89I22-V57 HydrophobicContact CD1-CG1 3.9Å; I22-V57 HydrophobicContact CD1-CG2 4.03Å; K40-V57 HydrophobicContact CD-CG1 4.25Å; K40-V57 HydrophobicContact CG-CG1 3.97Å; I41-V57 CarbonylContact O-C 3.51Å; I41-V57 VanDerWaalsContact O-CA 3.3Å; I41-V57 WeakPolarHBondContact O-CA 3.33Å; V57-N89 PolarHBondContact O-ND2 3.47Å
58L96.5Very high91.6Very high22 Ų2267.8 Ų67.812%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-131.1168.1-173.2-63.7169.9000111.1I41 I43 V52 L86 N89 I95I41-L58 HydrophobicContact CD1-CB 3.94Å; I41-L58 PolarHBondContact N-O 3.32Å; I41-L58 PolarHBondContact O-N 3.38Å; I43-L58 HydrophobicContact CD1-CD1 3.91Å; V52-L58 HydrophobicContact CB-CD1 4.48Å; V52-L58 HydrophobicContact CG1-CD1 3.87Å; L58-L86 HydrophobicContact CD1-CD1 4.11Å; L58-N89 VanDerWaalsContact C-OD1 3.29Å; L58-N89 VanDerWaalsContact CA-OD1 3.3Å; L58-N89 WeakPolarHBondContact CA-OD1 3.26Å; L58-I95 HydrophobicContact CD1-CD1 3.7Å; L58-I95 HydrophobicContact CD2-CD1 4.12Å; L58-I95 HydrophobicContact CG-CD1 4.43Å
59K97.3Very high91.5Very high45 Ų4564.9 Ų64.920%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-83.5153162.6-73.6178-179.3173.20109.2L25 I38 I39 L87 N89 E92L25-K59 HydrophobicContact CD1-CD 4.31Å; L25-K59 HydrophobicContact CD1-CG 4.17Å; I38-K59 HydrophobicContact CG2-CB 3.96Å; I38-K59 HydrophobicContact CG2-CD 4.22Å; I38-K59 HydrophobicContact CG2-CG 4.21Å; I39-K59 CarbonylContact O-C 3.49Å; I39-K59 WeakPolarHBondContact O-CA 3.34Å; K59-L87 HydrophobicContact CB-CB 4.09Å; K59-L87 PolarHBondContact O-N 3.35Å; K59-L87 VanDerWaalsContact O-O 3.04Å; K59-N89 WeakPolarHBondContact CE-O 3.07Å; K59-N89 PolarHBondContact N-OD1 3.41Å; K59-N89 PolarHBondContact NZ-O 3.1Å; K59-E92 HydrophobicContact CD-CG 4.26Å; K59-E92 IonicContact NZ-OE1 2.73Å; K59-E92 PolarHBondContact NZ-OE1 3.15Å
60A96.5Very high91.5Very high0 Ų061.9 Ų61.90%031%0.307CS..EExtended strand (participates in β ladder)trans-147.9144.2171.700000110I38 I39 I41 C84 V85 L86I38-A60 CarbonylContact C-O 3.51Å; I38-A60 WeakPolarHBondContact CA-O 3.12Å; I39-A60 HydrophobicContact CG1-CB 4.34Å; I39-A60 VanDerWaalsContact CG1-O 3.31Å; I39-A60 WeakPolarHBondContact CG1-O 3.46Å; I39-A60 PolarHBondContact N-O 2.96Å; I39-A60 PolarHBondContact O-N 2.78Å; I41-A60 HydrophobicContact CG1-CB 3.74Å; I41-A60 HydrophobicContact CG2-CB 3.99Å; A60-C84 HydrophobicContact CB-CB 3.91Å; A60-V85 CarbonylContact C-O 3.2Å; A60-V85 WeakPolarHBondContact CA-O 3.34Å; A60-V85 WeakPolarHBondContact CB-O 3.32Å; A60-L86 HydrophobicContact CB-CD2 4Å
61V94.9Very high91.5Very high33 Ų3362.2 Ų62.220%0.230%0.301CS..EExtended strand (participates in β ladder)trans-91.9130.1171.159.70000109.6V63 C84 V85 L87V61-V63 HydrophobicContact CG1-CG1 4.34Å; V61-V63 PolarHBondContact O-N 3Å; V61-C84 CarbonylContact O-C 3.42Å; V61-C84 WeakPolarHBondContact O-CA 3.5Å; V61-C84 VanDerWaalsContact O-CB 3.22Å; V61-C84 WeakPolarHBondContact O-CB 3.13Å; V61-V85 HydrophobicContact CG1-CB 3.86Å; V61-V85 HydrophobicContact CG1-CG1 4.5Å; V61-V85 PolarHBondContact N-O 2.93Å; V61-V85 PolarHBondContact O-N 3.48Å; V61-L87 HydrophobicContact CB-CD1 4.12Å; V61-L87 HydrophobicContact CG1-CD1 4.41Å; V61-L87 HydrophobicContact CG1-CD2 4.24Å; V61-L87 HydrophobicContact CG1-CG 4.42Å
62V94.6Very high90.8Very high1 Ų162.3 Ų62.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-72.2120.7175.9-179.20000108.9I2 L8 A33 G34 G36 D37 I39 T65I2-V62 HydrophobicContact CG1-CG1 3.94Å; I2-V62 HydrophobicContact CG1-CG2 4.08Å; L8-V62 HydrophobicContact CD2-CG2 4.46Å; A33-V62 HydrophobicContact CB-CG2 4.36Å; G34-V62 VanDerWaalsContact O-CB 3.27Å; G34-V62 WeakPolarHBondContact O-CB 3.37Å; G34-V62 WeakPolarHBondContact O-CG1 3.35Å; G36-V62 PolarHBondContact N-O 2.84Å; D37-V62 PolarHBondContact O-N 3.42Å; I39-V62 HydrophobicContact CD1-CG2 3.77Å; I39-V62 HydrophobicContact CG1-CG2 3.95Å; I39-V62 HydrophobicContact CG2-CG2 4Å; V62-T65 HydrophobicContact CG1-CG2 3.48Å; V62-T65 VanDerWaalsContact CG1-CG2 3.48Å
63V91.8Very high89.9Confident20 Ų2065.8 Ų65.812%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-105.7-24.8-179.6-660000113.2A11 V35 V61 A83 V85A11-V63 HydrophobicContact CB-CG2 3.82Å; V35-V63 WeakPolarHBondContact CG1-O 3.43Å; V61-V63 HydrophobicContact CG1-CG1 4.34Å; V61-V63 PolarHBondContact O-N 3Å; V63-A83 HydrophobicContact CG2-CB 4.08Å; V63-A83 WeakPolarHBondContact CG2-O 3.12Å; V63-A83 PolarHBondContact N-O 3.01Å; V63-V85 HydrophobicContact CG1-CB 4.24Å; V63-V85 HydrophobicContact CG1-CG2 3.6Å; V63-V85 HydrophobicContact CG2-CG2 4.26Å
64R91.3Very high88.8Confident33 Ų3360.3 Ų60.313%0.12532%0.32CS..EExtended strand (participates in β ladder)trans-142.5141.9179.4-67.1-172.3-71.6-88.84.4110.9F79 N82 A83 F100 P102R64-F79 HydrophobicContact CB-CB 4.01Å; R64-F79 HydrophobicContact CB-CD1 4.27Å; R64-F79 HydrophobicContact CB-CD2 3.87Å; R64-F79 HydrophobicContact CB-CE2 4.4Å; R64-F79 HydrophobicContact CB-CG 3.78Å; R64-F79 VanDerWaalsContact CD-CD1 3.48Å; R64-F79 HydrophobicContact CG-CB 4.36Å; R64-F79 HydrophobicContact CG-CD1 3.7Å; R64-F79 HydrophobicContact CG-CD2 3.98Å; R64-F79 HydrophobicContact CG-CE1 3.9Å; R64-F79 HydrophobicContact CG-CE2 4.16Å; R64-F79 HydrophobicContact CG-CG 3.74Å; R64-F79 HydrophobicContact CG-CZ 4.12Å; R64-N82 WeakPolarHBondContact O-CA 3.35Å; R64-A83 HydrophobicContact CB-CB 4.1Å; R64-A83 PolarHBondContact N-O 3.46Å; R64-A83 VanDerWaalsContact N-O 3.13Å; R64-A83 VanDerWaalsContact NH2-CB 3.32Å; R64-A83 PolarHBondContact O-N 2.91Å; R64-F100 PolarHBondContact NH1-O 3.39Å; R64-P102 VanDerWaalsContact CD-O 3.26Å; R64-P102 WeakPolarHBondContact CD-O 3.4Å; R64-P102 PolarHBondContact NH1-O 2.81Å
65T92.6Very high87.9Confident1 Ų154.6 Ų54.61%0.00630%0.301CS..  trans-134.7141.3171.664.50000112.9M1 I2 V35 V62 K67 F79 N82M1-T65 VanDerWaalsContact N-CB 3.26Å; M1-T65 PolarHBondContact N-OG1 3.04Å; I2-T65 HydrophobicContact CD1-CG2 4.05Å; I2-T65 HydrophobicContact CG1-CG2 3.92Å; V35-T65 HydrophobicContact CG2-CG2 3.78Å; V62-T65 HydrophobicContact CG1-CG2 3.48Å; V62-T65 VanDerWaalsContact CG1-CG2 3.48Å; T65-K67 VanDerWaalsContact C-N 3.34Å; T65-K67 PolarHBondContact OG1-O 3.1Å; T65-F79 PolarHBondContact O-N 3.41Å; T65-N82 WeakPolarHBondContact CA-OD1 3.43Å
66K91Very high87.4Confident111 Ų11156.9 Ų56.948%0.48331%0.306SS..SBendtrans-68-30.7173.2-171.2175-176.1178.80112.8R78 F79 N82K66-R78 WeakPolarHBondContact O-CD 3.25Å; K66-R78 WeakPolarHBondContact O-CG 3.45Å; K66-R78 PolarHBondContact O-NE 3.25Å; K66-R78 PolarHBondContact O-NH1 3.36Å; K66-F79 WeakPolarHBondContact CA-O 3.06Å; K66-N82 PolarHBondContact N-OD1 3.32Å
67K91Very high86.7Confident118 Ų11855.7 Ų55.751%0.51330%0.3SS..SBendtrans-73132.6168.6-166.3-179.9-173.5174.50108.9M1 T65M1-K67 HydrophobicContact CB-CB 3.76Å; M1-K67 HydrophobicContact CB-CD 3.39Å; M1-K67 HydrophobicContact CB-CG 4.17Å; M1-K67 HydrophobicContact CG-CD 4.11Å; M1-K67 HydrophobicContact SD-CD 3.42Å; M1-K67 WeakPolarHBondContact SD-CD 3.33Å; M1-K67 PolarHBondContact SD-NZ 2.99Å; T65-K67 VanDerWaalsContact C-N 3.34Å; T65-K67 PolarHBondContact OG1-O 3.1Å
68G87.6Confident86.1Confident29 Ų2960.3 Ų60.330%0.29931%0.31SS..PPolyproline II helixtrans-60.6138.2178.600000112.4I77G68-I77 CarbonylContact C-O 3.52Å; G68-I77 VanDerWaalsContact CA-O 3.22Å; G68-I77 WeakPolarHBondContact CA-O 3.06Å
69V84.7Confident85.7Confident35 Ų3560.5 Ų60.521%0.21231%0.31CS..EExtended strand (participates in β ladder)trans-99.1118.3171-176.40000107.9V35 V76 I77 Y104V35-V69 HydrophobicContact CB-CG2 4.43Å; V35-V69 HydrophobicContact CG2-CG2 3.78Å; V69-V76 WeakPolarHBondContact O-CA 3.19Å; V69-I77 PolarHBondContact N-O 2.82Å; V69-I77 PolarHBondContact O-N 2.95Å; V69-Y104 HydrophobicContact CB-CE2 4.04Å; V69-Y104 HydrophobicContact CG1-CE2 4.14Å; V69-Y104 WeakPolarHBondContact CG1-OH 3.27Å; V69-Y104 HydrophobicContact CG2-CE2 4.47Å
70R82.4Confident85.2Confident199 Ų19966 Ų6675%0.75134%0.342SS*.EExtended strand (participates in β ladder)trans-80129.9177.2-170.7173.2179.8166.70.2109.6S75 V76R70-S75 WeakPolarHBondContact CA-O 3.42Å; R70-V76 HydrophobicContact CB-CG2 4.41Å; R70-V76 HydrophobicContact CG-CG2 4.39Å
71R78.6Confident84.9Confident33 Ų3367.4 Ų67.413%0.12536%0.356CS..PPolyproline II helixtrans-89.6162175.2-78.3177.8161.7170.5-2.7111.2D73 G74 S75 S105R71-D73 WeakPolarHBondContact CB-OD1 3.3Å; R71-D73 PolarHBondContact O-N 2.73Å; R71-G74 PolarHBondContact O-N 3.33Å; R71-S75 WeakPolarHBondContact CD-OG 3.27Å; R71-S75 PolarHBondContact N-O 3.28Å; R71-S105 PolarHBondContact NH2-O 2.98Å; R71-S105 PolarHBondContact NH2-OG 2.97Å
72P70.6Confident84.9Confident142 Ų14267.4 Ų67.492%0.92236%0.355SS*.THydrogen-bonded Turntrans-58.5-27.2176.3-25.134.9000114.2G74P72-G74 PolarHBondContact O-N 2.94Å
73D71.6Confident84.9Confident79 Ų7967.4 Ų67.442%0.42236%0.355SS..THydrogen-bonded Turntrans-78.62.517668.6-6.3000113.7R71 S75R71-D73 WeakPolarHBondContact CB-OD1 3.3Å; R71-D73 PolarHBondContact O-N 2.73Å; D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 VanDerWaalsContact CG-OG 3.31Å; D73-S75 PolarHBondContact O-N 2.82Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.81Å
74G71.8Confident85Confident37 Ų3766.5 Ų66.538%0.38135%0.349SS..SBendtrans84.5-11.5-17800000114.7R71 P72R71-G74 PolarHBondContact O-N 3.33Å; P72-G74 PolarHBondContact O-N 2.94Å
75S76.3Confident85.2Confident44 Ų4465 Ų6531%0.30834%0.344SS..  trans-67.7153.9175.669.80000111.7R70 R71 D73R70-S75 WeakPolarHBondContact CA-O 3.42Å; R71-S75 WeakPolarHBondContact CD-OG 3.27Å; R71-S75 PolarHBondContact N-O 3.28Å; D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 VanDerWaalsContact CG-OG 3.31Å; D73-S75 PolarHBondContact O-N 2.82Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.81Å
76V82.1Confident85.3Confident92 Ų9265 Ų6556%0.55834%0.344SS*.EExtended strand (participates in β ladder)trans-121.5125.7-180-179.60000109.7V69 R70V69-V76 WeakPolarHBondContact O-CA 3.19Å; R70-V76 HydrophobicContact CB-CG2 4.41Å; R70-V76 HydrophobicContact CG-CG2 4.39Å
77I81.8Confident85.5Confident36 Ų3660.2 Ų60.219%0.18532%0.324CS..EExtended strand (participates in β ladder)trans-98.4128.5170.6-67.8178.5000110G68 V69 F79 Y104G68-I77 CarbonylContact C-O 3.52Å; G68-I77 VanDerWaalsContact CA-O 3.22Å; G68-I77 WeakPolarHBondContact CA-O 3.06Å; V69-I77 PolarHBondContact N-O 2.82Å; V69-I77 PolarHBondContact O-N 2.95Å; I77-F79 HydrophobicContact CG2-CD2 4.24Å; I77-F79 HydrophobicContact CG2-CE2 3.65Å; I77-F79 HydrophobicContact CG2-CZ 3.93Å; I77-Y104 HydrophobicContact CB-CD2 4.26Å; I77-Y104 HydrophobicContact CB-CE2 4.02Å; I77-Y104 HydrophobicContact CD1-CD2 4.01Å; I77-Y104 HydrophobicContact CD1-CE2 3.76Å; I77-Y104 HydrophobicContact CG1-CE2 4.41Å; I77-Y104 HydrophobicContact CG2-CD2 3.98Å; I77-Y104 HydrophobicContact CG2-CE2 4.27Å
78R82.9Confident85.6Confident156 Ų15658 Ų5859%0.58932%0.318SS*.  trans-127141.7174.2-169.9178.7171.7111.9-6.5110K66K66-R78 WeakPolarHBondContact O-CD 3.25Å; K66-R78 WeakPolarHBondContact O-CG 3.45Å; K66-R78 PolarHBondContact O-NE 3.25Å; K66-R78 PolarHBondContact O-NH1 3.36Å
79F87.3Confident85.7Confident26 Ų2659.3 Ų59.311%0.11432%0.317CS..  trans-110.2159.2169.7-62.5-86.1000110.2R64 T65 K66 I77 G81 P102 Y104R64-F79 HydrophobicContact CB-CB 4.01Å; R64-F79 HydrophobicContact CB-CD1 4.27Å; R64-F79 HydrophobicContact CB-CD2 3.87Å; R64-F79 HydrophobicContact CB-CE2 4.4Å; R64-F79 HydrophobicContact CB-CG 3.78Å; R64-F79 VanDerWaalsContact CD-CD1 3.48Å; R64-F79 HydrophobicContact CG-CB 4.36Å; R64-F79 HydrophobicContact CG-CD1 3.7Å; R64-F79 HydrophobicContact CG-CD2 3.98Å; R64-F79 HydrophobicContact CG-CE1 3.9Å; R64-F79 HydrophobicContact CG-CE2 4.16Å; R64-F79 HydrophobicContact CG-CG 3.74Å; R64-F79 HydrophobicContact CG-CZ 4.12Å; T65-F79 PolarHBondContact O-N 3.41Å; K66-F79 WeakPolarHBondContact CA-O 3.06Å; I77-F79 HydrophobicContact CG2-CD2 4.24Å; I77-F79 HydrophobicContact CG2-CE2 3.65Å; I77-F79 HydrophobicContact CG2-CZ 3.93Å; F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.23Å; F79-P102 HydrophobicContact CD1-CG 4.13Å; F79-P102 HydrophobicContact CE1-CB 4.09Å; F79-P102 HydrophobicContact CE1-CG 4.09Å; F79-Y104 HydrophobicContact CE2-CD2 4.02Å; F79-Y104 HydrophobicContact CE2-CG 4.43Å; F79-Y104 HydrophobicContact CZ-CD2 4.38Å
80D87.9Confident85.9Confident162 Ų16264.9 Ų64.987%0.86635%0.346SS*.SBendtrans-68.1-31.4179.2-60.4-34.9000112.6
81G89.3Confident86Confident28 Ų2858 Ų5829%0.28933%0.329SS..SBendtrans-136.2160.9-17600000114F79F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.23Å
82N94.9Very high86.5Confident34 Ų3460.8 Ų60.818%0.18234%0.343CS..  trans-82.6133170.1-63.5-34.3000109.4I2 L8 N9 R64 T65 K66I2-N82 HydrophobicContact CD1-CB 3.71Å; L8-N82 HydrophobicContact CB-CB 4.44Å; L8-N82 HydrophobicContact CD2-CB 4.18Å; L8-N82 HydrophobicContact CG-CB 4.04Å; N9-N82 PolarHBondContact N-O 2.94Å; R64-N82 WeakPolarHBondContact O-CA 3.35Å; T65-N82 WeakPolarHBondContact CA-OD1 3.43Å; K66-N82 PolarHBondContact N-OD1 3.32Å
83A94.6Very high87.4Confident1 Ų160.3 Ų60.31%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-145.8153.8175.100000112.9N9 A11 V63 R64N9-A83 HydrophobicContact CB-CB 4.46Å; N9-A83 CarbonylContact O-C 3.59Å; N9-A83 WeakPolarHBondContact O-CA 3.41Å; N9-A83 VanDerWaalsContact O-CB 3.32Å; N9-A83 WeakPolarHBondContact O-CB 3.21Å; A11-A83 HydrophobicContact CB-CB 4.04Å; V63-A83 HydrophobicContact CG2-CB 4.08Å; V63-A83 WeakPolarHBondContact CG2-O 3.12Å; V63-A83 PolarHBondContact N-O 3.01Å; R64-A83 HydrophobicContact CB-CB 4.1Å; R64-A83 PolarHBondContact N-O 3.46Å; R64-A83 VanDerWaalsContact N-O 3.13Å; R64-A83 VanDerWaalsContact NH2-CB 3.32Å; R64-A83 PolarHBondContact O-N 2.91Å
84C95.4Very high88.3Confident0 Ų060.3 Ų60.30%033%0.333CS..EExtended strand (participates in β ladder)trans-137.9161.3177.761.50000112.1L8 N9 V10 A11 V19 A60 V61L8-C84 HydrophobicContact CD2-CB 4.11Å; N9-C84 PolarHBondContact O-N 3.26Å; V10-C84 WeakPolarHBondContact CA-O 3.5Å; A11-C84 PolarHBondContact N-O 2.87Å; V19-C84 WeakPolarHBondContact CG2-SG 3.44Å; A60-C84 HydrophobicContact CB-CB 3.91Å; V61-C84 CarbonylContact O-C 3.42Å; V61-C84 WeakPolarHBondContact O-CA 3.5Å; V61-C84 VanDerWaalsContact O-CB 3.22Å; V61-C84 WeakPolarHBondContact O-CB 3.13Å
85V94.3Very high89.1Confident3 Ų360.2 Ų60.22%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-111.4134171.7171.50000107.8A11 D12 A60 V61 V63 I99A11-V85 HydrophobicContact CB-CG2 4.3Å; D12-V85 HydrophobicContact CB-CG1 4.16Å; D12-V85 HydrophobicContact CB-CG2 4.46Å; D12-V85 WeakPolarHBondContact OD2-CG1 3.29Å; A60-V85 CarbonylContact C-O 3.2Å; A60-V85 WeakPolarHBondContact CA-O 3.34Å; A60-V85 WeakPolarHBondContact CB-O 3.32Å; V61-V85 HydrophobicContact CG1-CB 3.86Å; V61-V85 HydrophobicContact CG1-CG1 4.5Å; V61-V85 PolarHBondContact N-O 2.93Å; V61-V85 PolarHBondContact O-N 3.48Å; V63-V85 HydrophobicContact CG1-CB 4.24Å; V63-V85 HydrophobicContact CG1-CG2 3.6Å; V63-V85 HydrophobicContact CG2-CG2 4.26Å; V85-I99 HydrophobicContact CG1-CD1 4.46Å; V85-I99 HydrophobicContact CG1-CG1 4.23Å; V85-I99 HydrophobicContact CG2-CB 4.49Å; V85-I99 HydrophobicContact CG2-CD1 4.2Å; V85-I99 HydrophobicContact CG2-CG1 3.87Å; V85-I99 HydrophobicContact CG2-CG2 3.89Å
86L95.5Very high89.3Confident0 Ų058.5 Ų58.50%031%0.313CS..EExtended strand (participates in β ladder)trans-78.1137.8-175.1-56-164.4000111.1V10 D12 S14 A16 V19 I41 I43 V52 L58 A60 P94 I95V10-L86 HydrophobicContact CG1-CD2 4.41Å; V10-L86 HydrophobicContact CG1-CG 4.03Å; V10-L86 HydrophobicContact CG2-CD2 4.17Å; D12-L86 PolarHBondContact OD2-N 3.2Å; S14-L86 WeakPolarHBondContact OG-CD1 3.36Å; A16-L86 HydrophobicContact CB-CD1 3.76Å; V19-L86 HydrophobicContact CG1-CD2 4.18Å; I41-L86 HydrophobicContact CD1-CD2 4.02Å; I41-L86 HydrophobicContact CG1-CD2 4.23Å; I43-L86 HydrophobicContact CD1-CD1 4.15Å; V52-L86 HydrophobicContact CG1-CD1 4.35Å; V52-L86 HydrophobicContact CG2-CD1 4.25Å; L58-L86 HydrophobicContact CD1-CD1 4.11Å; A60-L86 HydrophobicContact CB-CD2 4Å; L86-P94 WeakPolarHBondContact O-CA 3.07Å; L86-I95 HydrophobicContact CB-CB 4.33Å; L86-I95 HydrophobicContact CB-CD1 4.1Å; L86-I95 PolarHBondContact O-N 2.99Å
87L95.7Very high89.1Confident11 Ų1159.9 Ų59.96%0.05832%0.321CS..EExtended strand (participates in β ladder)trans-120.7149.2178.7-55.2-178.4000110.1I38 K59 V61 Q93 P94I38-L87 HydrophobicContact CD1-CD1 4.1Å; I38-L87 HydrophobicContact CG1-CD1 4.25Å; I38-L87 HydrophobicContact CG2-CD1 4.3Å; K59-L87 HydrophobicContact CB-CB 4.09Å; K59-L87 PolarHBondContact O-N 3.35Å; K59-L87 VanDerWaalsContact O-O 3.04Å; V61-L87 HydrophobicContact CB-CD1 4.12Å; V61-L87 HydrophobicContact CG1-CD1 4.41Å; V61-L87 HydrophobicContact CG1-CD2 4.24Å; V61-L87 HydrophobicContact CG1-CG 4.42Å; L87-Q93 CarbonylContact C-O 3.49Å; L87-Q93 WeakPolarHBondContact CA-O 3.43Å; L87-P94 HydrophobicContact CD2-CB 4.47Å; L87-P94 HydrophobicContact CD2-CG 4.26Å
88N92.6Very high88.9Confident72 Ų7264 Ų6439%0.38534%0.335SS..  trans-66.3140.1168.1-168.9-26.6000109.8N90 S91 E92 Q93N88-N90 VanDerWaalsContact C-N 3.29Å; N88-N90 PolarHBondContact O-N 3.04Å; N88-N90 PolarHBondContact OD1-N 3.42Å; N88-S91 WeakPolarHBondContact CB-OG 3.42Å; N88-E92 WeakPolarHBondContact O-CA 3.28Å; N88-E92 PolarHBondContact O-N 3.17Å; N88-E92 VanDerWaalsContact O-N 3.11Å; N88-Q93 PolarHBondContact N-O 3.36Å
89N90.4Very high88.7Confident55 Ų5559.5 Ų59.529%0.29432%0.322SS..THydrogen-bonded Turntrans-60-37.9-178.5-76.4-29.8000113V57 L58 K59V57-N89 PolarHBondContact O-ND2 3.47Å; L58-N89 VanDerWaalsContact C-OD1 3.29Å; L58-N89 VanDerWaalsContact CA-OD1 3.3Å; L58-N89 WeakPolarHBondContact CA-OD1 3.26Å; K59-N89 WeakPolarHBondContact CE-O 3.07Å; K59-N89 PolarHBondContact N-OD1 3.41Å; K59-N89 PolarHBondContact NZ-O 3.1Å
90N88.6Confident88.4Confident152 Ų15262.8 Ų62.881%0.81334%0.336SS*.THydrogen-bonded Turntrans-90.8-52-172.8-65-8000112.3N88N88-N90 VanDerWaalsContact C-N 3.29Å; N88-N90 PolarHBondContact O-N 3.04Å; N88-N90 PolarHBondContact OD1-N 3.42Å
91S84.9Confident87.8Confident56 Ų5657.6 Ų57.639%0.39232%0.321SS..THydrogen-bonded Turntrans-88.3-10.6-174.2610000114.3N88 Q93N88-S91 WeakPolarHBondContact CB-OG 3.42Å; S91-Q93 PolarHBondContact O-N 3.3Å
92E87.9Confident87Confident91 Ų9160.4 Ų60.443%0.42533%0.334SS..  trans52.717.1-171.6-55.5-166.916000114I38 K59 N88I38-E92 WeakPolarHBondContact CD1-OE2 3.42Å; K59-E92 HydrophobicContact CD-CG 4.26Å; K59-E92 IonicContact NZ-OE1 2.73Å; K59-E92 PolarHBondContact NZ-OE1 3.15Å; N88-E92 WeakPolarHBondContact O-CA 3.28Å; N88-E92 PolarHBondContact O-N 3.17Å; N88-E92 VanDerWaalsContact O-N 3.11Å
93Q90.3Very high85.7Confident131 Ų13165.2 Ų65.261%0.61235%0.354SS*.  trans-78.7146.9174.7-68.8179.90.900110.6L87 N88 S91 I95L87-Q93 CarbonylContact C-O 3.49Å; L87-Q93 WeakPolarHBondContact CA-O 3.43Å; N88-Q93 PolarHBondContact N-O 3.36Å; S91-Q93 PolarHBondContact O-N 3.3Å; Q93-I95 PolarHBondContact O-N 3.24Å
94P90.5Very high84.4Confident80 Ų8067 Ų6752%0.51936%0.36SS..BIsolated β-bridgetrans-58.7134.8174.4-22.833.6000112.5L86 L87L86-P94 WeakPolarHBondContact O-CA 3.07Å; L87-P94 HydrophobicContact CD2-CB 4.47Å; L87-P94 HydrophobicContact CD2-CG 4.26Å
95I88.7Confident82.8Confident35 Ų3569.6 Ų69.618%0.17938%0.378CS..SBendtrans-79.1-38.9174.3-67.3168.9000110.6K51 V52 L58 L86 Q93K51-I95 HydrophobicContact CD-CG2 4.48Å; V52-I95 HydrophobicContact CG1-CD1 4.45Å; V52-I95 HydrophobicContact CG1-CG2 4.05Å; L58-I95 HydrophobicContact CD1-CD1 3.7Å; L58-I95 HydrophobicContact CD2-CD1 4.12Å; L58-I95 HydrophobicContact CG-CD1 4.43Å; L86-I95 HydrophobicContact CB-CB 4.33Å; L86-I95 HydrophobicContact CB-CD1 4.1Å; L86-I95 PolarHBondContact O-N 2.99Å; Q93-I95 PolarHBondContact O-N 3.24Å
96G79.7Confident80.9Confident8 Ų877.5 Ų77.58%0.08241%0.412CS..SBendtrans-75.1143.9171.300000111.4N13N13-G96 WeakPolarHBondContact OD1-CA 3.36Å
97T78.5Confident78.7Confident120 Ų12084.4 Ų84.474%0.73645%0.445SS*.SBendtrans-85.8-17.7171.955.30000112.3N13N13-T97 PolarHBondContact ND2-OG1 2.94Å; N13-T97 PolarHBondContact OD1-N 2.79Å
98R77.6Confident76.3Confident123 Ų12388.5 Ų88.546%0.46446%0.459SS..  trans-134.2138.5-175.8-163.4176.8-163.3-175.65.4110.8D12 N13 F100D12-R98 CarbonylContact C-O 3.57Å; D12-R98 WeakPolarHBondContact CA-O 3.38Å; D12-R98 VanDerWaalsContact CB-O 3.28Å; D12-R98 WeakPolarHBondContact CB-O 3.43Å; N13-R98 HydrophobicContact CB-CB 4.39Å; N13-R98 PolarHBondContact N-O 3.2Å; N13-R98 PolarHBondContact OD1-N 3.47Å; N13-R98 PolarHBondContact OD1-O 3.49Å; R98-F100 HydrophobicContact CG-CE1 4.38Å
99I79Confident74.1Confident62 Ų6291.2 Ų91.232%0.31847%0.473SS..BIsolated β-bridgetrans-107.4139.6175.8-61.2162.8000109.3A11 V85 K103A11-I99 CarbonylContact O-C 3.58Å; A11-I99 VanDerWaalsContact O-CA 3.24Å; A11-I99 WeakPolarHBondContact O-CA 3.41Å; A11-I99 VanDerWaalsContact O-CG2 3.29Å; A11-I99 WeakPolarHBondContact O-CG2 3.37Å; V85-I99 HydrophobicContact CG1-CD1 4.46Å; V85-I99 HydrophobicContact CG1-CG1 4.23Å; V85-I99 HydrophobicContact CG2-CB 4.49Å; V85-I99 HydrophobicContact CG2-CD1 4.2Å; V85-I99 HydrophobicContact CG2-CG1 3.87Å; V85-I99 HydrophobicContact CG2-CG2 3.89Å; I99-K103 HydrophobicContact CG2-CD 4.4Å; I99-K103 VanDerWaalsContact CG2-CE 3.48Å; I99-K103 HydrophobicContact CG2-CG 4.39Å
100F79.8Confident72Confident94 Ų9492.9 Ų92.941%0.41248%0.48SS..  trans-108.5151.4-177.4-54.5-56.2000113.6A11 D12 N13 R64 R98A11-F100 PolarHBondContact O-N 3.19Å; D12-F100 WeakPolarHBondContact O-CD2 3.47Å; D12-F100 WeakPolarHBondContact O-CE2 3.3Å; N13-F100 HydrophobicContact CB-CE2 3.93Å; N13-F100 HydrophobicContact CB-CZ 3.63Å; R64-F100 PolarHBondContact NH1-O 3.39Å; R98-F100 HydrophobicContact CG-CE1 4.38Å
101G76Confident70.3Confident54 Ų5487.5 Ų87.556%0.55746%0.457SS*.SBendtrans72.3-178.7174.600000114.1
102P72.7Confident69.2Low87 Ų8787.4 Ų87.457%0.56546%0.459SS*.PPolyproline II helixtrans-66.9140.5-176.927.9-33.6000110.3R64 F79R64-P102 VanDerWaalsContact CD-O 3.26Å; R64-P102 WeakPolarHBondContact CD-O 3.4Å; R64-P102 PolarHBondContact NH1-O 2.81Å; F79-P102 HydrophobicContact CD1-CG 4.13Å; F79-P102 HydrophobicContact CE1-CB 4.09Å; F79-P102 HydrophobicContact CE1-CG 4.09Å
103K66.2Low68.5Low135 Ų13587.4 Ų87.459%0.58746%0.458SS*.PPolyproline II helixtrans-103.8141.7177.3-61.9179.6-172.7179.70109.1I99I99-K103 HydrophobicContact CG2-CD 4.4Å; I99-K103 VanDerWaalsContact CG2-CE 3.48Å; I99-K103 HydrophobicContact CG2-CG 4.39Å
104Y68Low68.3Low39 Ų3981.5 Ų81.515%0.15343%0.43CS..PPolyproline II helixtrans-72.2130168.1179-101.1000110.3V35 V69 I77 F79 K106V35-Y104 HydrophobicContact CB-CD1 3.94Å; V35-Y104 HydrophobicContact CB-CE1 4.36Å; V35-Y104 HydrophobicContact CB-CG 4.14Å; V35-Y104 VanDerWaalsContact CG1-CB 3.46Å; V35-Y104 HydrophobicContact CG1-CD1 3.42Å; V35-Y104 VanDerWaalsContact CG1-CD1 3.42Å; V35-Y104 HydrophobicContact CG1-CE1 4.28Å; V35-Y104 HydrophobicContact CG1-CG 3.56Å; V35-Y104 HydrophobicContact CG2-CG 4.42Å; V69-Y104 HydrophobicContact CB-CE2 4.04Å; V69-Y104 HydrophobicContact CG1-CE2 4.14Å; V69-Y104 WeakPolarHBondContact CG1-OH 3.27Å; V69-Y104 HydrophobicContact CG2-CE2 4.47Å; I77-Y104 HydrophobicContact CB-CD2 4.26Å; I77-Y104 HydrophobicContact CB-CE2 4.02Å; I77-Y104 HydrophobicContact CD1-CD2 4.01Å; I77-Y104 HydrophobicContact CD1-CE2 3.76Å; I77-Y104 HydrophobicContact CG1-CE2 4.41Å; I77-Y104 HydrophobicContact CG2-CD2 3.98Å; I77-Y104 HydrophobicContact CG2-CE2 4.27Å; F79-Y104 HydrophobicContact CE2-CD2 4.02Å; F79-Y104 HydrophobicContact CE2-CG 4.43Å; F79-Y104 HydrophobicContact CZ-CD2 4.38Å; Y104-K106 HydrophobicContact CE1-CB 3.95Å; Y104-K106 HydrophobicContact CE1-CG 4.13Å
105S61.7Low68.1Low54 Ų5485 Ų8538%0.37843%0.433SS..PPolyproline II helixtrans-102.7121.416572.20000108.8R71 E107R71-S105 PolarHBondContact NH2-O 2.98Å; R71-S105 PolarHBondContact NH2-OG 2.97Å; S105-E107 CarbonylContact C-O 3.56Å; S105-E107 WeakPolarHBondContact CB-O 3.32Å; S105-E107 PolarHBondContact O-N 3.34Å; S105-E107 PolarHBondContact OG-O 2.98Å
106K54.4Low68Low168 Ų16891.3 Ų91.373%0.7345%0.454SS*.SBendtrans-60.2-41.5-178-158.1176.3-173.5-179.70110.9Y104Y104-K106 HydrophobicContact CE1-CB 3.95Å; Y104-K106 HydrophobicContact CE1-CG 4.13Å
107E49.7Very low68.6Low146 Ų14695 Ų9568%0.68247%0.472SS*.SBendtrans-87.8130.6165.8-71.9141.3-151.300108S105 I109S105-E107 CarbonylContact C-O 3.56Å; S105-E107 WeakPolarHBondContact CB-O 3.32Å; S105-E107 PolarHBondContact O-N 3.34Å; S105-E107 PolarHBondContact OG-O 2.98Å; E107-I109 PolarHBondContact O-N 2.59Å; E107-I109 VanDerWaalsContact O-N 3.17Å
108R44.9Very low69.1Low96 Ų9690.6 Ų90.636%0.36244%0.444SS..  trans-53.6123.2139.9-164.3175.6178.2-175.7-1.6102.3M110R108-M110 HydrophobicContact CB-CG 4.38Å; R108-M110 HydrophobicContact CG-CG 4.49Å; R108-M110 PolarHBondContact O-N 3.22Å
109I47.4Very low69.9Low130 Ų13089 Ų8967%0.66744%0.442SS*.  trans-64.376.8169.7-55.9172.4000105E107 A111E107-I109 PolarHBondContact O-N 2.59Å; E107-I109 VanDerWaalsContact O-N 3.17Å; I109-A111 HydrophobicContact CG2-CB 4.45Å; I109-A111 PolarHBondContact O-N 3.2Å
110M46.5Very low70.6Confident90 Ų9086 Ų8644%0.44343%0.427SS..  trans-70.790.3149.7-63-154.8177.700100.6R108 A112 Y194R108-M110 HydrophobicContact CB-CG 4.38Å; R108-M110 HydrophobicContact CG-CG 4.49Å; R108-M110 PolarHBondContact O-N 3.22Å; M110-A112 PolarHBondContact O-N 3.03Å; M110-Y194 HydrophobicContact CB-CE1 4.06Å; M110-Y194 WeakPolarHBondContact CE-OH 3.42Å; M110-Y194 HydrophobicContact CG-CE1 4.11Å; M110-Y194 HydrophobicContact CG-CE2 4.09Å; M110-Y194 VanDerWaalsContact CG-OH 3.27Å; M110-Y194 WeakPolarHBondContact CG-OH 3.27Å; M110-Y194 HydrophobicContact SD-CE1 4.21Å; M110-Y194 PolarHBondContact SD-OH 3.08Å
111A52.9Low71.3Confident39 Ų3982.9 Ų82.932%0.32241%0.414SS..  trans-45.3120.916400000105I109 K113I109-A111 HydrophobicContact CG2-CB 4.45Å; I109-A111 PolarHBondContact O-N 3.2Å; A111-K113 PolarHBondContact O-N 3.11Å
112A60.3Low72.2Confident53 Ų5380.6 Ų80.644%0.43839%0.389SS..  trans-49120-178.100000107M110 I114M110-A112 PolarHBondContact O-N 3.03Å; A112-I114 VanDerWaalsContact CB-O 3.3Å; A112-I114 WeakPolarHBondContact CB-O 3.43Å; A112-I114 PolarHBondContact O-N 3.3Å; A112-I114 VanDerWaalsContact O-N 3.07Å
113K74.5Confident73.1Confident92 Ų9278.7 Ų78.740%0.437%0.374SS..SBendtrans-56.3-31-174.1-71-176.7176.4-174.10110.5A111 R192 Y194A111-K113 PolarHBondContact O-N 3.11Å; K113-R192 WeakPolarHBondContact CD-O 3.2Å; K113-R192 PolarHBondContact O-NH1 2.8Å; K113-Y194 HydrophobicContact CG-CD1 4.25Å; K113-Y194 HydrophobicContact CG-CE1 4.42Å
114I85Confident74.3Confident6 Ų675.6 Ų75.63%0.03137%0.367CS..SBendtrans-115.3131.1175.5-60.1178.1000108.1A112 D118 V120 V134 V143 V176 V179 I181A112-I114 VanDerWaalsContact CB-O 3.3Å; A112-I114 WeakPolarHBondContact CB-O 3.43Å; A112-I114 PolarHBondContact O-N 3.3Å; A112-I114 VanDerWaalsContact O-N 3.07Å; I114-D118 HydrophobicContact CG2-CB 4.36Å; I114-V120 HydrophobicContact CD1-CG1 4.16Å; I114-V120 HydrophobicContact CG1-CG1 4.47Å; I114-V120 HydrophobicContact CG2-CG1 3.87Å; I114-V134 HydrophobicContact CG2-CB 4.41Å; I114-V134 HydrophobicContact CG2-CG1 4.31Å; I114-V134 HydrophobicContact CG2-CG2 3.54Å; I114-V143 HydrophobicContact CG2-CG1 4.12Å; I114-V176 HydrophobicContact CD1-CG1 4.15Å; I114-V179 HydrophobicContact CD1-CB 4.16Å; I114-V179 HydrophobicContact CD1-CG2 3.32Å; I114-I181 HydrophobicContact CG1-CG1 4.43Å
115R85.9Confident75.4Confident153 Ų15376.7 Ų76.758%0.57739%0.389SS*.  trans-110.8166.6179.2-61.7178.4-179.3175.8-0.4109.8D118 V134R115-D118 WeakPolarHBondContact CB-OD2 3.35Å; R115-D118 PolarHBondContact N-OD2 3.06Å; R115-D118 WeakPolarHBondContact O-CB 3.34Å; R115-D118 PolarHBondContact O-N 2.58Å; R115-V134 WeakPolarHBondContact O-CB 3.27Å; R115-V134 WeakPolarHBondContact O-CG1 3.44Å
116R87.9Confident76.7Confident168 Ų16883.9 Ų83.963%0.63441%0.414SS*.THydrogen-bonded Turntrans-57.3145.2165.5-170.5179.2177.2173.7-0.7108.9D118 K135R116-D118 PolarHBondContact O-N 3.17Å; R116-K135 PolarHBondContact NE-O 3.38Å
117D90.9Very high78.6Confident86 Ų8676.9 Ų76.946%0.4638%0.384SS..THydrogen-bonded Turntrans69-1.4-179.1-60.2-63.4000116.6K133 V134D117-K133 VanDerWaalsContact CA-CE 3.48Å; D117-K133 VanDerWaalsContact CB-CE 3.41Å; D117-K133 VanDerWaalsContact O-CE 3.25Å; D117-K133 WeakPolarHBondContact O-CE 3.44Å; D117-K133 WeakPolarHBondContact OD1-CE 3.47Å; D117-K133 IonicContact OD1-NZ 2.92Å; D117-K133 PolarHBondContact OD1-NZ 3Å; D117-V134 PolarHBondContact N-O 3Å
118D90.6Very high80.6Confident28 Ų2877.2 Ų77.215%0.1538%0.383CS..  trans-64.4138.7170.2-78.3-23.7000110.3I114 R115 R116 V120 V134 R192I114-D118 HydrophobicContact CG2-CB 4.36Å; R115-D118 WeakPolarHBondContact CB-OD2 3.35Å; R115-D118 PolarHBondContact N-OD2 3.06Å; R115-D118 WeakPolarHBondContact O-CB 3.34Å; R115-D118 PolarHBondContact O-N 2.58Å; R116-D118 PolarHBondContact O-N 3.17Å; D118-V120 HydrophobicContact CB-CG1 4.41Å; D118-V134 HydrophobicContact CB-CG2 4.36Å; D118-V134 WeakPolarHBondContact O-CG2 3.36Å; D118-V134 PolarHBondContact O-N 3.21Å; D118-R192 IonicContact OD1-CZ 3.3Å; D118-R192 IonicContact OD1-NH1 3.81Å; D118-R192 IonicContact OD1-NH2 3.82Å; D118-R192 PolarHBondContact OD1-NH2 3.07Å; D118-R192 IonicContact OD2-CZ 2.87Å; D118-R192 VanDerWaalsContact OD2-CZ 3.3Å; D118-R192 IonicContact OD2-NH1 3.3Å; D118-R192 PolarHBondContact OD2-NH1 3.48Å; D118-R192 IonicContact OD2-NH2 2.81Å; D118-R192 PolarHBondContact OD2-NH2 3.25Å
119E93.5Very high82.8Confident88 Ų8874.7 Ų74.741%0.41139%0.388SS..EExtended strand (participates in β ladder)trans-81.8125.8168.7-163.9176.2-171.200109.4F182E119-F182 HydrophobicContact CB-CB 4.42Å; E119-F182 HydrophobicContact CG-CB 4.16Å; E119-F182 HydrophobicContact CG-CD1 4.3Å; E119-F182 PolarHBondContact O-N 3.41Å
120V94.3Very high85Confident0 Ų073.7 Ų73.70%038%0.378CS..EExtended strand (participates in β ladder)trans-128.7153.1-175.9-61.40000111.7I114 D118 R131 G132 V134 V145 V179 A180I114-V120 HydrophobicContact CD1-CG1 4.16Å; I114-V120 HydrophobicContact CG1-CG1 4.47Å; I114-V120 HydrophobicContact CG2-CG1 3.87Å; D118-V120 HydrophobicContact CB-CG1 4.41Å; V120-R131 CarbonylContact O-C 3.57Å; V120-R131 VanDerWaalsContact O-CA 3.28Å; V120-R131 WeakPolarHBondContact O-CA 3.33Å; V120-G132 WeakPolarHBondContact CG2-O 3.27Å; V120-G132 PolarHBondContact N-O 2.84Å; V120-G132 PolarHBondContact O-N 3.29Å; V120-V134 HydrophobicContact CB-CG2 4.31Å; V120-V134 HydrophobicContact CG1-CG2 3.58Å; V120-V134 HydrophobicContact CG2-CG2 3.72Å; V120-V145 HydrophobicContact CG2-CB 4.39Å; V120-V145 HydrophobicContact CG2-CG1 3.79Å; V120-V145 HydrophobicContact CG2-CG2 3.62Å; V120-V179 HydrophobicContact CB-CB 4.37Å; V120-V179 HydrophobicContact CG2-CB 4.45Å; V120-V179 HydrophobicContact CG2-CG1 4.45Å; V120-A180 CarbonylContact C-O 3.58Å; V120-A180 WeakPolarHBondContact CA-O 3.37Å; V120-A180 VanDerWaalsContact CB-O 3.22Å; V120-A180 WeakPolarHBondContact CB-O 3.42Å
121I93.9Very high87.3Confident29 Ų2976.3 Ų76.315%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-114.9138.1172.5-172.1172.4000109.9K130 R131 V179 A180 A189I121-K130 WeakPolarHBondContact CA-O 3.44Å; I121-R131 HydrophobicContact CB-CG 4.29Å; I121-R131 HydrophobicContact CD1-CG 4.4Å; I121-R131 HydrophobicContact CG1-CG 4.21Å; I121-V179 WeakPolarHBondContact O-CA 3.13Å; I121-A180 HydrophobicContact CG2-CB 4.29Å; I121-A180 PolarHBondContact N-O 3.25Å; I121-A180 PolarHBondContact O-N 2.68Å; I121-A189 HydrophobicContact CG2-CB 3.34Å
122V94.6Very high89.2Confident6 Ų675 Ų754%0.03637%0.374CS..EExtended strand (participates in β ladder)trans-78.4125.9176.8-178.90000109.8T124 D127 G129 K130 I148 I174 V179V122-T124 WeakPolarHBondContact CG1-O 3.46Å; V122-D127 VanDerWaalsContact CB-O 3.3Å; V122-D127 WeakPolarHBondContact CB-O 3.47Å; V122-D127 HydrophobicContact CG1-CB 4.48Å; V122-D127 HydrophobicContact CG2-CB 4.43Å; V122-G129 PolarHBondContact O-N 3.47Å; V122-K130 PolarHBondContact N-O 2.75Å; V122-I148 HydrophobicContact CG2-CD1 3.74Å; V122-I148 HydrophobicContact CG2-CG2 3.57Å; V122-I174 HydrophobicContact CG2-CD1 4.48Å; V122-V179 HydrophobicContact CG2-CG1 4.29Å
123L92.5Very high90.8Very high47 Ų4776.8 Ų76.825%0.24637%0.372CS..  trans-88.3-31.8-177.8-62.2177.8000113.2K128 N178 A180 A189L123-K128 WeakPolarHBondContact O-CD 3.49Å; L123-K128 WeakPolarHBondContact O-CE 3.22Å; L123-K128 WeakPolarHBondContact O-CG 3.4Å; L123-N178 WeakPolarHBondContact CB-O 3.39Å; L123-N178 PolarHBondContact N-O 3.28Å; L123-A180 HydrophobicContact CD1-CB 3.95Å; L123-A180 HydrophobicContact CD2-CB 3.89Å; L123-A180 HydrophobicContact CG-CB 4.03Å; L123-A189 HydrophobicContact CD2-CB 3.76Å
124T91.5Very high91.8Very high70 Ų7072.4 Ų72.443%0.42935%0.353SS..SBendtrans-144.6157.9-170.256.90000111.4V122 N178V122-T124 WeakPolarHBondContact CG1-O 3.46Å; T124-N178 WeakPolarHBondContact OG1-CB 3.23Å; T124-N178 VanDerWaalsContact OG1-CG 3.29Å
125G90Very high92.2Very high61 Ų6176.3 Ų76.363%0.62937%0.369SS*.SBendtrans91-170.118000000113.8D127 K128G125-D127 VanDerWaalsContact C-N 3.26Å; G125-D127 PolarHBondContact O-N 3.04Å; G125-K128 WeakPolarHBondContact O-CB 3.32Å; G125-K128 PolarHBondContact O-N 2.88Å
126K90.7Very high92.4Very high206 Ų20672.5 Ų72.590%0.89636%0.361SS*.THydrogen-bonded Turntrans-57.8-35.8-173.4-177.2-178.7176.4-175.60113.6
127D93.1Very high92.4Very high20 Ų2066.6 Ų66.611%0.10734%0.343CS..THydrogen-bonded Turntrans-97.920.8-176.7-69.1-45.2000113.1V122 G125 G129 K130 I148 N149V122-D127 VanDerWaalsContact CB-O 3.3Å; V122-D127 WeakPolarHBondContact CB-O 3.47Å; V122-D127 HydrophobicContact CG1-CB 4.48Å; V122-D127 HydrophobicContact CG2-CB 4.43Å; G125-D127 VanDerWaalsContact C-N 3.26Å; G125-D127 PolarHBondContact O-N 3.04Å; D127-G129 PolarHBondContact O-N 3.17Å; D127-K130 HydrophobicContact CB-CB 4.44Å; D127-K130 HydrophobicContact CB-CD 3.95Å; D127-K130 HydrophobicContact CB-CG 4.39Å; D127-K130 VanDerWaalsContact O-CB 3.29Å; D127-K130 WeakPolarHBondContact O-CB 3.16Å; D127-K130 WeakPolarHBondContact O-CG 3.16Å; D127-K130 PolarHBondContact O-N 3.43Å; D127-K130 WeakPolarHBondContact OD1-CD 3.43Å; D127-K130 WeakPolarHBondContact OD1-CE 3.31Å; D127-K130 IonicContact OD1-NZ 2.74Å; D127-K130 PolarHBondContact OD1-NZ 2.87Å; D127-I148 HydrophobicContact CB-CG2 3.78Å; D127-N149 WeakPolarHBondContact OD2-CA 3.41Å; D127-N149 PolarHBondContact OD2-N 3.06Å
128K92.5Very high92.1Very high153 Ų15365.4 Ų65.467%0.66534%0.336SS*.THydrogen-bonded Turntrans-51.2131.5179.6179.1176.9-179.1-171.10111.6L123 G125 K130L123-K128 WeakPolarHBondContact O-CD 3.49Å; L123-K128 WeakPolarHBondContact O-CE 3.22Å; L123-K128 WeakPolarHBondContact O-CG 3.4Å; G125-K128 WeakPolarHBondContact O-CB 3.32Å; G125-K128 PolarHBondContact O-N 2.88Å; K128-K130 VanDerWaalsContact C-N 3.28Å; K128-K130 PolarHBondContact O-N 3.25Å
129G90.8Very high91.4Very high44 Ų4470.5 Ų70.545%0.45437%0.374SS..THydrogen-bonded Turntrans85.7-14.9-178.900000114.6V122 D127V122-G129 PolarHBondContact O-N 3.47Å; D127-G129 PolarHBondContact O-N 3.17Å
130K94.2Very high90.7Very high108 Ų10870 Ų7047%0.4738%0.38SS..  trans-69.9142.8174.5-64.3-172.2-175.9169.10110.7I121 V122 D127 K128 I148I121-K130 WeakPolarHBondContact CA-O 3.44Å; V122-K130 PolarHBondContact N-O 2.75Å; D127-K130 HydrophobicContact CB-CB 4.44Å; D127-K130 HydrophobicContact CB-CD 3.95Å; D127-K130 HydrophobicContact CB-CG 4.39Å; D127-K130 VanDerWaalsContact O-CB 3.29Å; D127-K130 WeakPolarHBondContact O-CB 3.16Å; D127-K130 WeakPolarHBondContact O-CG 3.16Å; D127-K130 PolarHBondContact O-N 3.43Å; D127-K130 WeakPolarHBondContact OD1-CD 3.43Å; D127-K130 WeakPolarHBondContact OD1-CE 3.31Å; D127-K130 IonicContact OD1-NZ 2.74Å; D127-K130 PolarHBondContact OD1-NZ 2.87Å; K128-K130 VanDerWaalsContact C-N 3.28Å; K128-K130 PolarHBondContact O-N 3.25Å; K130-I148 HydrophobicContact CB-CD1 4.14Å
131R93Very high90.1Very high146 Ų14671.5 Ų71.555%0.55140%0.396SS*.EExtended strand (participates in β ladder)trans-107.6148.8178.3-60178.2-64.7164.92109.8V120 I121V120-R131 CarbonylContact O-C 3.57Å; V120-R131 VanDerWaalsContact O-CA 3.28Å; V120-R131 WeakPolarHBondContact O-CA 3.33Å; I121-R131 HydrophobicContact CB-CG 4.29Å; I121-R131 HydrophobicContact CD1-CG 4.4Å; I121-R131 HydrophobicContact CG1-CG 4.21Å
132G93.5Very high89.9Confident12 Ų1273.8 Ų73.812%0.12441%0.405CS..EExtended strand (participates in β ladder)trans-169.9164175.300000111.8V120 V145V120-G132 WeakPolarHBondContact CG2-O 3.27Å; V120-G132 PolarHBondContact N-O 2.84Å; V120-G132 PolarHBondContact O-N 3.29Å; G132-V145 VanDerWaalsContact C-CG1 3.42Å
133K95.1Very high89.8Confident90 Ų9073.5 Ų73.539%0.39140%0.404SS..EExtended strand (participates in β ladder)trans-88.9140.2-179.9-163177-177.8-163.40110.8D117 K135 V145 E146D117-K133 VanDerWaalsContact CA-CE 3.48Å; D117-K133 VanDerWaalsContact CB-CE 3.41Å; D117-K133 VanDerWaalsContact O-CE 3.25Å; D117-K133 WeakPolarHBondContact O-CE 3.44Å; D117-K133 WeakPolarHBondContact OD1-CE 3.47Å; D117-K133 IonicContact OD1-NZ 2.92Å; D117-K133 PolarHBondContact OD1-NZ 3Å; K133-K135 PolarHBondContact O-N 2.89Å; K133-V145 WeakPolarHBondContact O-CA 3.46Å; K133-E146 PolarHBondContact O-N 2.66Å
134V93.7Very high89.9Confident0 Ų072.9 Ų72.90%040%0.4CS..EExtended strand (participates in β ladder)trans-76110.3-179.9177.70000110.3I114 R115 D117 D118 V120 V137 V143 V145I114-V134 HydrophobicContact CG2-CB 4.41Å; I114-V134 HydrophobicContact CG2-CG1 4.31Å; I114-V134 HydrophobicContact CG2-CG2 3.54Å; R115-V134 WeakPolarHBondContact O-CB 3.27Å; R115-V134 WeakPolarHBondContact O-CG1 3.44Å; D117-V134 PolarHBondContact N-O 3Å; D118-V134 HydrophobicContact CB-CG2 4.36Å; D118-V134 WeakPolarHBondContact O-CG2 3.36Å; D118-V134 PolarHBondContact O-N 3.21Å; V120-V134 HydrophobicContact CB-CG2 4.31Å; V120-V134 HydrophobicContact CG1-CG2 3.58Å; V120-V134 HydrophobicContact CG2-CG2 3.72Å; V134-V137 HydrophobicContact CG1-CG2 3.77Å; V134-V143 HydrophobicContact CG1-CB 4.28Å; V134-V143 HydrophobicContact CG1-CG1 4.32Å; V134-V145 HydrophobicContact CG2-CG2 4.36Å
135K93.3Very high90Very high87 Ų8769.6 Ų69.638%0.37838%0.38SS..EExtended strand (participates in β ladder)trans-73.7-42.4177.7-173173.6-175.5169.20112.3R116 K133 I144 E146 E171R116-K135 PolarHBondContact NE-O 3.38Å; K133-K135 PolarHBondContact O-N 2.89Å; K135-I144 HydrophobicContact CB-CG2 4.29Å; K135-I144 HydrophobicContact CD-CG2 4.28Å; K135-I144 PolarHBondContact N-O 3.39Å; K135-E146 HydrophobicContact CB-CG 4.08Å; K135-E171 IonicContact NZ-OE1 2.79Å; K135-E171 PolarHBondContact NZ-OE1 2.95Å; K135-E171 IonicContact NZ-OE2 3.15Å; K135-E171 PolarHBondContact NZ-OE2 3.41Å
136N90.1Very high90.2Very high74 Ų7471 Ų7140%0.39637%0.37SS..EExtended strand (participates in β ladder)trans-154146-179.7-161.95.5000111.9V143 I144N136-V143 WeakPolarHBondContact O-CA 3.31Å; N136-I144 PolarHBondContact N-O 3.28Å; N136-I144 PolarHBondContact O-N 2.85Å
137V88.4Confident90.3Very high44 Ų4463.4 Ų63.427%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-110.9117.2173.3-174.80000107.7V134 V143V134-V137 HydrophobicContact CG1-CG2 3.77Å; V137-V143 HydrophobicContact CB-CG1 4.43Å; V137-V143 HydrophobicContact CG1-CG1 4.17Å; V137-V143 HydrophobicContact CG2-CG1 4.1Å
138L85.8Confident90.3Very high60 Ų6062.6 Ų62.631%0.31435%0.346SS..EExtended strand (participates in β ladder)trans-86.2146.7-179.3-57.7178.3000110.6S140 G141 K142 A173L138-S140 PolarHBondContact O-N 2.93Å; L138-S140 VanDerWaalsContact O-N 3.08Å; L138-G141 PolarHBondContact O-N 2.95Å; L138-G141 VanDerWaalsContact O-N 3.1Å; L138-K142 WeakPolarHBondContact CB-O 3.39Å; L138-K142 HydrophobicContact CD1-CB 4.35Å; L138-K142 PolarHBondContact N-O 2.94Å; L138-A173 HydrophobicContact CD1-CB 3.82Å
139S75.3Confident90.3Very high135 Ų13558 Ų5894%0.94433%0.329SS*.THydrogen-bonded Turntrans-60.9-17.6175.455.40000113.8G141S139-G141 PolarHBondContact O-N 2.8Å
140S79.6Confident90.4Very high77 Ų7759.7 Ų59.754%0.53833%0.327SS..THydrogen-bonded Turntrans-76.62.9175.357.80000114.5L138L138-S140 PolarHBondContact O-N 2.93Å; L138-S140 VanDerWaalsContact O-N 3.08Å
141G81.6Confident90.3Very high33 Ų3357.8 Ų57.834%0.3432%0.324SS..THydrogen-bonded Turntrans78.822.8-177.500000113.6L138 S139 Q175 V176L138-G141 PolarHBondContact O-N 2.95Å; L138-G141 VanDerWaalsContact O-N 3.1Å; S139-G141 PolarHBondContact O-N 2.8Å; G141-Q175 PolarHBondContact O-OE1 3Å; G141-V176 WeakPolarHBondContact O-CB 3.36Å; G141-V176 WeakPolarHBondContact O-CG2 3.36Å; G141-V176 PolarHBondContact O-N 2.69Å
142K89.5Confident90.3Very high77 Ų7757.8 Ų57.834%0.33533%0.328SS..EExtended strand (participates in β ladder)trans-114.4154.5175.4-60.9-175.9-179.1-178.30110.8L138 A173 I174L138-K142 WeakPolarHBondContact CB-O 3.39Å; L138-K142 HydrophobicContact CD1-CB 4.35Å; L138-K142 PolarHBondContact N-O 2.94Å; K142-A173 HydrophobicContact CB-CB 3.88Å; K142-A173 HydrophobicContact CD-CB 4.05Å; K142-I174 CarbonylContact C-O 3.46Å; K142-I174 WeakPolarHBondContact CA-O 3.05Å; K142-I174 WeakPolarHBondContact CB-O 3.48Å
143V92.4Very high90.2Very high0 Ų063.3 Ų63.30%035%0.349CS..EExtended strand (participates in β ladder)trans-123.1145.9176.1-67.10000110.9I114 V134 N136 V137 V145 A173 I174 V176 V179I114-V143 HydrophobicContact CG2-CG1 4.12Å; V134-V143 HydrophobicContact CG1-CB 4.28Å; V134-V143 HydrophobicContact CG1-CG1 4.32Å; N136-V143 WeakPolarHBondContact O-CA 3.31Å; V137-V143 HydrophobicContact CB-CG1 4.43Å; V137-V143 HydrophobicContact CG1-CG1 4.17Å; V137-V143 HydrophobicContact CG2-CG1 4.1Å; V143-V145 HydrophobicContact CG2-CG2 3.99Å; V143-A173 CarbonylContact O-C 3.5Å; V143-A173 WeakPolarHBondContact O-CA 3.35Å; V143-I174 PolarHBondContact N-O 3.37Å; V143-I174 PolarHBondContact O-N 3.1Å; V143-V176 HydrophobicContact CG1-CG2 3.69Å; V143-V179 HydrophobicContact CG2-CG1 4.44Å; V143-V179 HydrophobicContact CG2-CG2 3.65Å
144I94.1Very high90.1Very high34 Ų3466.2 Ų66.217%0.17436%0.363CS..EExtended strand (participates in β ladder)trans-103.1122.6169.4-59.7175.6000106.5K135 N136 E171 A173K135-I144 HydrophobicContact CB-CG2 4.29Å; K135-I144 HydrophobicContact CD-CG2 4.28Å; K135-I144 PolarHBondContact N-O 3.39Å; N136-I144 PolarHBondContact N-O 3.28Å; N136-I144 PolarHBondContact O-N 2.85Å; I144-E171 HydrophobicContact CG2-CB 3.66Å; I144-A173 HydrophobicContact CG1-CB 4.04Å
145V94.6Very high89.9Confident0 Ų069.4 Ų69.40%038%0.378CS..EExtended strand (participates in β ladder)trans-114.1133.2-177.8-174.30000108.4V120 G132 K133 V134 V143 G147 I148V120-V145 HydrophobicContact CG2-CB 4.39Å; V120-V145 HydrophobicContact CG2-CG1 3.79Å; V120-V145 HydrophobicContact CG2-CG2 3.62Å; G132-V145 VanDerWaalsContact C-CG1 3.42Å; K133-V145 WeakPolarHBondContact O-CA 3.46Å; V134-V145 HydrophobicContact CG2-CG2 4.36Å; V143-V145 HydrophobicContact CG2-CG2 3.99Å; V145-G147 PolarHBondContact O-N 2.93Å; V145-I148 HydrophobicContact CB-CB 4.12Å; V145-I148 HydrophobicContact CB-CD1 4.27Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CD1 3.59Å; V145-I148 HydrophobicContact CG1-CG1 3.96Å; V145-I148 PolarHBondContact O-N 2.86Å
146E94.1Very high89.7Confident91 Ų9173.3 Ų73.343%0.42540%0.395SS..THydrogen-bonded Turntrans-58.3129.2-178.1-67.9-179.316900111.2K133 K135 I148K133-E146 PolarHBondContact O-N 2.66Å; K135-E146 HydrophobicContact CB-CG 4.08Å; E146-I148 PolarHBondContact O-N 2.92Å
147G91.9Very high89.8Confident47 Ų4773.9 Ų73.949%0.48540%0.403SS..THydrogen-bonded Turntrans69.17.3177.200000116V145V145-G147 PolarHBondContact O-N 2.93Å
148I92.5Very high89.8Confident3 Ų374.5 Ų74.52%0.01541%0.407CS..SBendtrans-116.8146.3-177.7-55.5-169.4000110.5V122 D127 K130 V145 E146 L150 I174V122-I148 HydrophobicContact CG2-CD1 3.74Å; V122-I148 HydrophobicContact CG2-CG2 3.57Å; D127-I148 HydrophobicContact CB-CG2 3.78Å; K130-I148 HydrophobicContact CB-CD1 4.14Å; V145-I148 HydrophobicContact CB-CB 4.12Å; V145-I148 HydrophobicContact CB-CD1 4.27Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CD1 3.59Å; V145-I148 HydrophobicContact CG1-CG1 3.96Å; V145-I148 PolarHBondContact O-N 2.86Å; E146-I148 PolarHBondContact O-N 2.92Å; I148-L150 PolarHBondContact O-N 3.29Å; I148-I174 HydrophobicContact CB-CD1 4.3Å; I148-I174 HydrophobicContact CG2-CD1 3.51Å
149N92.7Very high89.8Confident56 Ų5676.9 Ų76.930%0.29943%0.426SS..SBendtrans56.649.2178.7-167.735.9000111.9D127 A172 I174D127-N149 WeakPolarHBondContact OD2-CA 3.41Å; D127-N149 PolarHBondContact OD2-N 3.06Å; N149-A172 WeakPolarHBondContact ND2-CB 3.18Å; N149-A172 PolarHBondContact ND2-O 3.17Å; N149-A172 WeakPolarHBondContact O-CB 3.46Å; N149-A172 PolarHBondContact O-N 2.96Å; N149-I174 HydrophobicContact CB-CD1 3.71Å; N149-I174 HydrophobicContact CB-CG1 3.66Å
150L92.3Very high90.4Very high80 Ų8075.1 Ų75.142%0.41942%0.419SS..EExtended strand (participates in β ladder)trans-70.9128.4-179.6-67165.5000110.7I148 E169 E171I148-L150 PolarHBondContact O-N 3.29Å; L150-E169 HydrophobicContact CD2-CB 4.33Å; L150-E171 HydrophobicContact CD2-CG 4.06Å
151V92.4Very high90.6Very high67 Ų6777.1 Ų77.141%0.40642%0.423SS..EExtended strand (participates in β ladder)trans-119131175.6179.30000108.9K153 K170 A172V151-K153 PolarHBondContact O-N 2.94Å; V151-K170 PolarHBondContact N-O 3.43Å; V151-K170 PolarHBondContact O-N 2.81Å; V151-A172 HydrophobicContact CB-CB 4.43Å; V151-A172 HydrophobicContact CG2-CB 3.57Å
152K93.7Very high90.7Very high146 Ų14682.7 Ų82.764%0.63545%0.445SS*.EExtended strand (participates in β ladder)trans-70.1124.2174.4-67.9-176179.2-1720109.7I167 E169K152-I167 HydrophobicContact CB-CG2 3.77Å; K152-I167 HydrophobicContact CD-CG2 4.17Å; K152-I167 HydrophobicContact CG-CG2 4.06Å; K152-E169 WeakPolarHBondContact CE-OE1 3.01Å; K152-E169 HydrophobicContact CG-CG 4.21Å
153K91.2Very high90.4Very high128 Ų12882.9 Ų82.956%0.55745%0.447SS*.EExtended strand (participates in β ladder)trans-123.3136.5172.8-79.8-161170.1-165.70110.1V151 I167 V168V151-K153 PolarHBondContact O-N 2.94Å; K153-I167 CarbonylContact O-C 3.57Å; K153-V168 PolarHBondContact N-O 3.24Å; K153-V168 PolarHBondContact O-N 3.49Å
154H92.6Very high90Very high152 Ų15288.1 Ų88.170%0.70448%0.481SS*.EExtended strand (participates in β ladder)trans-80.2122.9172.4-161.473.2000109.4
155Q89.3Confident89.6Confident67 Ų6788.4 Ų88.431%0.31349%0.493SS..EExtended strand (participates in β ladder)trans-109.1125.5176.4-178.3166.412.500108.8G165 G166 V168Q155-G165 VanDerWaalsContact O-CA 3.32Å; Q155-G165 WeakPolarHBondContact O-CA 3.24Å; Q155-G166 PolarHBondContact N-O 3.42Å; Q155-G166 PolarHBondContact O-N 2.92Å; Q155-V168 HydrophobicContact CB-CG2 3.98Å
156K89.8Confident89.4Confident168 Ų16889.7 Ų89.773%0.7351%0.506SS*.  trans-69146.5170.5-70-177175.9-176.50109.5V158K156-V158 PolarHBondContact O-N 2.97Å
157P91.3Very high89.2Confident86 Ų8691.1 Ų91.156%0.55852%0.516SS*.  trans-60.2136174.724-30.8000110.5Q163P157-Q163 WeakPolarHBondContact CA-O 3.43Å
158V88.8Confident89.1Confident58 Ų5891.8 Ų91.835%0.35251%0.51SS..BIsolated β-bridgetrans-120.891.9172.5-175.50000107.9K156 A160 L161 N162 Q163K156-V158 PolarHBondContact O-N 2.97Å; V158-A160 PolarHBondContact O-N 2.86Å; V158-L161 HydrophobicContact CG1-CB 4.44Å; V158-L161 HydrophobicContact CG1-CD1 4.36Å; V158-L161 HydrophobicContact CG1-CG 4.46Å; V158-L161 PolarHBondContact O-N 3.41Å; V158-N162 PolarHBondContact O-N 2.97Å; V158-Q163 HydrophobicContact CB-CB 4.48Å; V158-Q163 PolarHBondContact N-O 2.76Å; V158-Q163 PolarHBondContact O-N 3.3Å
159P85.5Confident88.9Confident109 Ų10996.8 Ų96.871%0.70853%0.534SS*.G310 helixtrans-57.4-35.9-176.3-26.434.6000113.5L161 N162P159-L161 PolarHBondContact O-N 3.35Å; P159-L161 VanDerWaalsContact O-N 3.11Å; P159-N162 PolarHBondContact O-N 3.35Å
160A87.7Confident88.8Confident98 Ų98100 Ų10081%0.8155%0.545SS*.G310 helixtrans-61.2-21.7-178.800000114.6V158V158-A160 PolarHBondContact O-N 2.86Å
161L85.2Confident88.8Confident119 Ų11998.4 Ų98.462%0.62354%0.535SS*.G310 helixtrans-112.410.7177.7-69171.2000112.3V158 P159 Q163V158-L161 HydrophobicContact CG1-CB 4.44Å; V158-L161 HydrophobicContact CG1-CD1 4.36Å; V158-L161 HydrophobicContact CG1-CG 4.46Å; V158-L161 PolarHBondContact O-N 3.41Å; P159-L161 PolarHBondContact O-N 3.35Å; P159-L161 VanDerWaalsContact O-N 3.11Å; L161-Q163 HydrophobicContact CB-CG 4.05Å; L161-Q163 PolarHBondContact O-N 3.26Å
162N84.2Confident88.8Confident151 Ų15196.6 Ų96.681%0.80753%0.527SS*.THydrogen-bonded Turntrans50.835.2-170.7-72.4-21.7000113.4V158 P159 P164V158-N162 PolarHBondContact O-N 2.97Å; P159-N162 PolarHBondContact O-N 3.35Å; N162-P164 WeakPolarHBondContact O-CD 3.38Å
163Q82.7Confident88.8Confident80 Ų8091.3 Ų91.337%0.37451%0.511SS..BIsolated β-bridgetrans-97.4108.3177.7-69.6-1789.300110P157 V158 L161P157-Q163 WeakPolarHBondContact CA-O 3.43Å; V158-Q163 HydrophobicContact CB-CB 4.48Å; V158-Q163 PolarHBondContact N-O 2.76Å; V158-Q163 PolarHBondContact O-N 3.3Å; L161-Q163 HydrophobicContact CB-CG 4.05Å; L161-Q163 PolarHBondContact O-N 3.26Å
164P84.6Confident88.9Confident110 Ų11086 Ų8671%0.71449%0.489SS*.  trans-66.7152.5176.227.1-33.1000111.4N162N162-P164 WeakPolarHBondContact O-CD 3.38Å
165G85.1Confident88.8Confident41 Ų4182.9 Ų82.942%0.42347%0.474SS..  trans-72.1146.8174.500000110.8Q155Q155-G165 VanDerWaalsContact O-CA 3.32Å; Q155-G165 WeakPolarHBondContact O-CA 3.24Å
166G90.6Very high88.8Confident27 Ų2781.6 Ų81.628%0.27847%0.471SS..EExtended strand (participates in β ladder)trans169.4-178.6-178.900000114.1Q155Q155-G166 PolarHBondContact N-O 3.42Å; Q155-G166 PolarHBondContact O-N 2.92Å
167I88.3Confident88.7Confident120 Ų12077 Ų7762%0.61546%0.46SS*.EExtended strand (participates in β ladder)trans-88.8113.8172.6-57.4172.1000107.4K152 K153K152-I167 HydrophobicContact CB-CG2 3.77Å; K152-I167 HydrophobicContact CD-CG2 4.17Å; K152-I167 HydrophobicContact CG-CG2 4.06Å; K153-I167 CarbonylContact O-C 3.57Å
168V89.7Confident88.7Confident62 Ų6275.6 Ų75.638%0.37645%0.448SS..EExtended strand (participates in β ladder)trans-105.1132.5178.4-1790000109.4K153 Q155K153-V168 PolarHBondContact N-O 3.24Å; K153-V168 PolarHBondContact O-N 3.49Å; Q155-V168 HydrophobicContact CB-CG2 3.98Å
169E90Very high88.9Confident108 Ų10873.1 Ų73.151%0.50543%0.433SS..EExtended strand (participates in β ladder)trans-84.1125.3172.2-59.7-163.4157.200109.7L150 K152L150-E169 HydrophobicContact CD2-CB 4.33Å; K152-E169 WeakPolarHBondContact CE-OE1 3.01Å; K152-E169 HydrophobicContact CG-CG 4.21Å
170K91Very high89.2Confident124 Ų12468.1 Ų68.154%0.53940%0.401SS..EExtended strand (participates in β ladder)trans-125.2139-178.7-171.7169.1-176.11670110.7V151 A172V151-K170 PolarHBondContact N-O 3.43Å; V151-K170 PolarHBondContact O-N 2.81Å; K170-A172 PolarHBondContact O-N 3.38Å
171E91.5Very high89.4Confident45 Ų4564.4 Ų64.421%0.2137%0.367CS..EExtended strand (participates in β ladder)trans-67.2123.3177-47.799.9163.500110.2K135 I144 L150K135-E171 IonicContact NZ-OE1 2.79Å; K135-E171 PolarHBondContact NZ-OE1 2.95Å; K135-E171 IonicContact NZ-OE2 3.15Å; K135-E171 PolarHBondContact NZ-OE2 3.41Å; I144-E171 HydrophobicContact CG2-CB 3.66Å; L150-E171 HydrophobicContact CD2-CG 4.06Å
172A92.8Very high89.7Confident29 Ų2960.3 Ų60.324%0.2434%0.344CS..PPolyproline II helixtrans-95.4149.7174.900000111.2N149 V151 K170N149-A172 WeakPolarHBondContact ND2-CB 3.18Å; N149-A172 PolarHBondContact ND2-O 3.17Å; N149-A172 WeakPolarHBondContact O-CB 3.46Å; N149-A172 PolarHBondContact O-N 2.96Å; V151-A172 HydrophobicContact CB-CB 4.43Å; V151-A172 HydrophobicContact CG2-CB 3.57Å; K170-A172 PolarHBondContact O-N 3.38Å
173A93.5Very high90Very high36 Ų3655.4 Ų55.430%0.29832%0.318SS..PPolyproline II helixtrans-69.8135.5-175.900000112.4L138 K142 V143 I144L138-A173 HydrophobicContact CD1-CB 3.82Å; K142-A173 HydrophobicContact CB-CB 3.88Å; K142-A173 HydrophobicContact CD-CB 4.05Å; V143-A173 CarbonylContact O-C 3.5Å; V143-A173 WeakPolarHBondContact O-CA 3.35Å; I144-A173 HydrophobicContact CG1-CB 4.04Å
174I92.9Very high90.2Very high17 Ų1755.5 Ų55.59%0.08733%0.332CS..EExtended strand (participates in β ladder)trans-107.3144.6178.8-54.3171.4000108.7V122 K142 V143 I148 N149 N178 V179V122-I174 HydrophobicContact CG2-CD1 4.48Å; K142-I174 CarbonylContact C-O 3.46Å; K142-I174 WeakPolarHBondContact CA-O 3.05Å; K142-I174 WeakPolarHBondContact CB-O 3.48Å; V143-I174 PolarHBondContact N-O 3.37Å; V143-I174 PolarHBondContact O-N 3.1Å; I148-I174 HydrophobicContact CB-CD1 4.3Å; I148-I174 HydrophobicContact CG2-CD1 3.51Å; N149-I174 HydrophobicContact CB-CD1 3.71Å; N149-I174 HydrophobicContact CB-CG1 3.66Å; I174-N178 HydrophobicContact CG2-CB 4Å; I174-V179 HydrophobicContact CG2-CG1 4.11Å
175Q91.3Very high90.3Very high85 Ų8554.8 Ų54.840%0.39734%0.336SS..EExtended strand (participates in β ladder)trans-62.1137.3173.1-74.3-70.9-3.700111.3G141 S177 N178G141-Q175 PolarHBondContact O-OE1 3Å; Q175-S177 PolarHBondContact O-N 2.92Å; Q175-S177 VanDerWaalsContact O-N 3.13Å; Q175-N178 PolarHBondContact O-N 2.88Å
176V88.4Confident90.3Very high41 Ų4156.2 Ų56.225%0.24834%0.336CS..G310 helixtrans-57.5-28.7177.8168.30000112.2I114 G141 V143 N178 V179I114-V176 HydrophobicContact CD1-CG1 4.15Å; G141-V176 WeakPolarHBondContact O-CB 3.36Å; G141-V176 WeakPolarHBondContact O-CG2 3.36Å; G141-V176 PolarHBondContact O-N 2.69Å; V143-V176 HydrophobicContact CG1-CG2 3.69Å; V176-N178 PolarHBondContact O-N 3.5Å; V176-V179 WeakPolarHBondContact O-CG2 3.3Å; V176-V179 PolarHBondContact O-N 3.02Å; V176-V179 VanDerWaalsContact O-O 3.09Å
177S86.8Confident90.1Very high72 Ų7257.3 Ų57.350%0.50335%0.347SS..G310 helixtrans-65.2-24.5176.355.60000114.2Q175Q175-S177 PolarHBondContact O-N 2.92Å; Q175-S177 VanDerWaalsContact O-N 3.13Å
178N92.1Very high90.1Very high56 Ų5658.6 Ų58.630%0.29935%0.348SS..G310 helixtrans-94.90.2-172.1-62.85.3000112L123 T124 I174 Q175 V176L123-N178 WeakPolarHBondContact CB-O 3.39Å; L123-N178 PolarHBondContact N-O 3.28Å; T124-N178 WeakPolarHBondContact OG1-CB 3.23Å; T124-N178 VanDerWaalsContact OG1-CG 3.29Å; I174-N178 HydrophobicContact CG2-CB 4Å; Q175-N178 PolarHBondContact O-N 2.88Å; V176-N178 PolarHBondContact O-N 3.5Å
179V92.6Very high90.1Very high5 Ų557.6 Ų57.63%0.0335%0.347CS..EExtended strand (participates in β ladder)trans-124.2150.4175.8-71.40000109.9I114 V120 I121 V122 V143 I174 V176I114-V179 HydrophobicContact CD1-CB 4.16Å; I114-V179 HydrophobicContact CD1-CG2 3.32Å; V120-V179 HydrophobicContact CB-CB 4.37Å; V120-V179 HydrophobicContact CG2-CB 4.45Å; V120-V179 HydrophobicContact CG2-CG1 4.45Å; I121-V179 WeakPolarHBondContact O-CA 3.13Å; V122-V179 HydrophobicContact CG2-CG1 4.29Å; V143-V179 HydrophobicContact CG2-CG1 4.44Å; V143-V179 HydrophobicContact CG2-CG2 3.65Å; I174-V179 HydrophobicContact CG2-CG1 4.11Å; V176-V179 WeakPolarHBondContact O-CG2 3.3Å; V176-V179 PolarHBondContact O-N 3.02Å; V176-V179 VanDerWaalsContact O-O 3.09Å
180A92.4Very high90Very high4 Ų455.3 Ų55.33%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-131.715917300000109.5V120 I121 L123 A189V120-A180 CarbonylContact C-O 3.58Å; V120-A180 WeakPolarHBondContact CA-O 3.37Å; V120-A180 VanDerWaalsContact CB-O 3.22Å; V120-A180 WeakPolarHBondContact CB-O 3.42Å; I121-A180 HydrophobicContact CG2-CB 4.29Å; I121-A180 PolarHBondContact N-O 3.25Å; I121-A180 PolarHBondContact O-N 2.68Å; L123-A180 HydrophobicContact CD1-CB 3.95Å; L123-A180 HydrophobicContact CD2-CB 3.89Å; L123-A180 HydrophobicContact CG-CB 4.03Å; A180-A189 HydrophobicContact CB-CB 3.91Å
181I91.9Very high89.6Confident21 Ų2158 Ų5811%0.10835%0.345CS..EExtended strand (participates in β ladder)trans-69.6136.5176.1-66.2140.3000107.9I114 D190 R192I114-I181 HydrophobicContact CG1-CG1 4.43Å; I181-D190 PolarHBondContact N-O 3.4Å; I181-D190 PolarHBondContact O-N 3.38Å; I181-R192 HydrophobicContact CD1-CB 3.56Å; I181-R192 HydrophobicContact CD1-CG 3.49Å; I181-R192 VanDerWaalsContact CD1-CG 3.49Å; I181-R192 VanDerWaalsContact CD1-CZ 3.42Å
182F92.5Very high88.7Confident33 Ų3360.4 Ų60.415%0.14535%0.352CS..EExtended strand (participates in β ladder)trans-79.8121.2170.2179.2-110.3000108.8E119 A184E119-F182 HydrophobicContact CB-CB 4.42Å; E119-F182 HydrophobicContact CG-CB 4.16Å; E119-F182 HydrophobicContact CG-CD1 4.3Å; E119-F182 PolarHBondContact O-N 3.41Å; F182-A184 HydrophobicContact CE1-CB 4.23Å
183N89.6Confident87.5Confident48 Ų4865.2 Ų65.226%0.25737%0.374SS..EExtended strand (participates in β ladder)trans-95.2110.6171.5-178.3-16.5000109.1A185 T186 G187 K188 D190N183-A185 PolarHBondContact O-N 3.32Å; N183-A185 WeakPolarHBondContact OD1-CB 3.2Å; N183-A185 PolarHBondContact OD1-N 3.04Å; N183-T186 WeakPolarHBondContact CB-OG1 3.36Å; N183-T186 PolarHBondContact O-N 2.97Å; N183-T186 PolarHBondContact OD1-N 3.06Å; N183-G187 WeakPolarHBondContact O-CA 3.45Å; N183-G187 PolarHBondContact O-N 2.81Å; N183-K188 PolarHBondContact N-O 3.45Å; N183-D190 HydrophobicContact CB-CB 4.15Å; N183-D190 WeakPolarHBondContact CB-OD2 3.41Å; N183-D190 PolarHBondContact ND2-OD2 3.1Å
184A87.6Confident86Confident81 Ų8166 Ų6667%0.66937%0.37SS*.THydrogen-bonded Turntrans-62.5-29.5-179.100000113.3F182F182-A184 HydrophobicContact CE1-CB 4.23Å
185A84.8Confident83.8Confident95 Ų9573.2 Ų73.279%0.78540%0.403SS*.THydrogen-bonded Turntrans-75.3-36.9-178.800000112.5N183N183-A185 PolarHBondContact O-N 3.32Å; N183-A185 WeakPolarHBondContact OD1-CB 3.2Å; N183-A185 PolarHBondContact OD1-N 3.04Å
186T86.7Confident81.6Confident72 Ų7271.7 Ų71.744%0.44240%0.399SS..THydrogen-bonded Turntrans-96.3-13.5179.961.90000112.9N183 K188N183-T186 WeakPolarHBondContact CB-OG1 3.36Å; N183-T186 PolarHBondContact O-N 2.97Å; N183-T186 PolarHBondContact OD1-N 3.06Å; T186-K188 PolarHBondContact O-N 2.87Å; T186-K188 PolarHBondContact OG1-N 3.32Å
187G85.4Confident79.2Confident49 Ų4976 Ų7651%0.50542%0.419SS..THydrogen-bonded Turntrans64.812.1-171.700000113.6N183N183-G187 WeakPolarHBondContact O-CA 3.45Å; N183-G187 PolarHBondContact O-N 2.81Å
188K88Confident76.6Confident147 Ų14782.1 Ų82.164%0.63943%0.432SS*.EExtended strand (participates in β ladder)trans-114.7164.9-170.9-71.8176.4-175.8178.60112.2N183 T186 D190N183-K188 PolarHBondContact N-O 3.45Å; T186-K188 PolarHBondContact O-N 2.87Å; T186-K188 PolarHBondContact OG1-N 3.32Å; K188-D190 PolarHBondContact O-N 2.96Å
189A89.6Confident74.1Confident42 Ų4283.6 Ų83.635%0.34745%0.446SS..EExtended strand (participates in β ladder)trans-80.2108174.700000110.4I121 L123 A180I121-A189 HydrophobicContact CG2-CB 3.34Å; L123-A189 HydrophobicContact CD2-CB 3.76Å; A180-A189 HydrophobicContact CB-CB 3.91Å
190D87.8Confident71.7Confident60 Ų6086.3 Ų86.332%0.32147%0.465SS..EExtended strand (participates in β ladder)trans-103.3143.2-178.9-77.41.5000111.8I181 N183 K188I181-D190 PolarHBondContact N-O 3.4Å; I181-D190 PolarHBondContact O-N 3.38Å; N183-D190 HydrophobicContact CB-CB 4.15Å; N183-D190 WeakPolarHBondContact CB-OD2 3.41Å; N183-D190 PolarHBondContact ND2-OD2 3.1Å; K188-D190 PolarHBondContact O-N 2.96Å
191R82.9Confident69.3Low180 Ų18090.8 Ų90.868%0.67949%0.492SS*.  trans-101.7115.8170.6-71.3-170.8170.9-173.4-1.9109.3N193R191-N193 PolarHBondContact O-N 3.23Å
192R74.3Confident67Low96 Ų9693.5 Ų93.536%0.36251%0.505SS..  trans-62.7119.6166.1-96.6-177.8-116.2146.3-10.1109.4K113 D118 I181K113-R192 WeakPolarHBondContact CD-O 3.2Å; K113-R192 PolarHBondContact O-NH1 2.8Å; D118-R192 IonicContact OD1-CZ 3.3Å; D118-R192 IonicContact OD1-NH1 3.81Å; D118-R192 IonicContact OD1-NH2 3.82Å; D118-R192 PolarHBondContact OD1-NH2 3.07Å; D118-R192 IonicContact OD2-CZ 2.87Å; D118-R192 VanDerWaalsContact OD2-CZ 3.3Å; D118-R192 IonicContact OD2-NH1 3.3Å; D118-R192 PolarHBondContact OD2-NH1 3.48Å; D118-R192 IonicContact OD2-NH2 2.81Å; D118-R192 PolarHBondContact OD2-NH2 3.25Å; I181-R192 HydrophobicContact CD1-CB 3.56Å; I181-R192 HydrophobicContact CD1-CG 3.49Å; I181-R192 VanDerWaalsContact CD1-CG 3.49Å; I181-R192 VanDerWaalsContact CD1-CZ 3.42Å
193N65.9Low65.2Low129 Ų12992.1 Ų92.169%0.6950%0.5SS*.  trans-88.2147.9161.1-163.815.4000108.9R191R191-N193 PolarHBondContact O-N 3.23Å
194Y63.6Low64.5Low54 Ų5497 Ų9721%0.21252%0.519CS..  trans-115.6126.2164.162.1-88.9000106.7M110 K113 V196M110-Y194 HydrophobicContact CB-CE1 4.06Å; M110-Y194 WeakPolarHBondContact CE-OH 3.42Å; M110-Y194 HydrophobicContact CG-CE1 4.11Å; M110-Y194 HydrophobicContact CG-CE2 4.09Å; M110-Y194 VanDerWaalsContact CG-OH 3.27Å; M110-Y194 WeakPolarHBondContact CG-OH 3.27Å; M110-Y194 HydrophobicContact SD-CE1 4.21Å; M110-Y194 PolarHBondContact SD-OH 3.08Å; K113-Y194 HydrophobicContact CG-CD1 4.25Å; K113-Y194 HydrophobicContact CG-CE1 4.42Å; Y194-V196 HydrophobicContact CD2-CG2 3.72Å; Y194-V196 HydrophobicContact CE2-CG2 3.74Å
195Q45.6Very low64.3Low168 Ų16894.2 Ų94.279%0.78549%0.493SS*.  trans-85115.8158.1-74.1-175.8-3.800105.8I197Q195-I197 PolarHBondContact O-N 2.9Å
196V46.1Very low64.4Low53 Ų5392 Ų9232%0.32147%0.466SS..  trans-6894.7155.3-177.70000103.5Y194 W198Y194-V196 HydrophobicContact CD2-CG2 3.72Å; Y194-V196 HydrophobicContact CE2-CG2 3.74Å; V196-W198 VanDerWaalsContact C-N 3.28Å; V196-W198 PolarHBondContact O-N 2.86Å
197I37Very low64.3Low131 Ų13191.8 Ų91.867%0.67246%0.462SS*.  trans-55.4112.3157-55.6173.5000101.9Q195 S199Q195-I197 PolarHBondContact O-N 2.9Å; I197-S199 PolarHBondContact O-N 3.07Å
198W33Very low64.4Low201 Ų20193.2 Ų93.276%0.76145%0.453SS*.  trans-61.388161.9-68.584.9000103.3V196 S200V196-W198 VanDerWaalsContact C-N 3.28Å; V196-W198 PolarHBondContact O-N 2.86Å; W198-S200 PolarHBondContact O-N 3.4Å
199S38.3Very low64.6Low87 Ų8787.2 Ų87.261%0.60843%0.427SS*.  trans-68.175.2155.1-177.80000103.2I197 T201I197-S199 PolarHBondContact O-N 3.07Å; S199-T201 PolarHBondContact O-N 2.98Å
200S43.5Very low64.6Low61 Ų6190.6 Ų90.643%0.42743%0.434SS..SBendtrans-66.556.3157.657.50000106.1W198 M202W198-S200 PolarHBondContact O-N 3.4Å; S200-M202 PolarHBondContact O-N 2.91Å
201T41.8Very low64.6Low98 Ų9892.4 Ų92.460%0.60144%0.443SS*.  trans42.945.7-175.1-43.70000111S199 A203S199-T201 PolarHBondContact O-N 2.98Å; T201-A203 PolarHBondContact O-N 3.28Å
202M43.2Very low65Low78 Ų7889.2 Ų89.238%0.38444%0.436SS..  trans-53.7116.6164.7-79.1-70157.200104.1S200 K204S200-M202 PolarHBondContact O-N 2.91Å; M202-K204 PolarHBondContact O-N 3.23Å
203A55.1Low65.9Low4 Ų484.7 Ų84.73%0.03342%0.419CS..  trans-54.4117.3-17200000107.3T201 L205 H206 W298T201-A203 PolarHBondContact O-N 3.28Å; A203-L205 PolarHBondContact O-N 3.15Å; A203-H206 WeakPolarHBondContact O-CB 3.42Å; A203-H206 PolarHBondContact O-N 2.81Å; A203-W298 HydrophobicContact CB-CB 3.17Å; A203-W298 HydrophobicContact CB-CG 4.28Å
204K73.5Confident67.2Low150 Ų15079.3 Ų79.365%0.65239%0.391SS*.Hα-helixtrans-55.5-29.2-167.4-69.8177.1175.2179.90111.4M202 H206 D207 Y208 E302M202-K204 PolarHBondContact O-N 3.23Å; K204-H206 VanDerWaalsContact C-N 3.33Å; K204-H206 PolarHBondContact O-N 3.32Å; K204-D207 PolarHBondContact O-N 2.82Å; K204-Y208 WeakPolarHBondContact O-CB 3.39Å; K204-Y208 PolarHBondContact O-N 3.02Å; K204-E302 PolarHBondContact N-OE2 3.16Å
205L83.7Confident68.6Low24 Ų2483.2 Ų83.213%0.12641%0.409CS..Hα-helixtrans-62.5-30.9175.4-111.485.2000114.8A203 Y209 W298 F301 E302 I305 F374A203-L205 PolarHBondContact O-N 3.15Å; L205-Y209 VanDerWaalsContact O-CB 3.28Å; L205-Y209 WeakPolarHBondContact O-CB 3.25Å; L205-Y209 PolarHBondContact O-N 2.83Å; L205-W298 HydrophobicContact CB-CE3 3.95Å; L205-W298 HydrophobicContact CB-CZ3 4.36Å; L205-F301 HydrophobicContact CD2-CD1 3.32Å; L205-F301 HydrophobicContact CD2-CE1 3.64Å; L205-F301 HydrophobicContact CD2-CG 4.34Å; L205-E302 HydrophobicContact CD1-CB 3.82Å; L205-E302 HydrophobicContact CD1-CG 3.75Å; L205-I305 HydrophobicContact CD2-CD1 4.36Å; L205-F374 HydrophobicContact CD2-CB 4.31Å; L205-F374 HydrophobicContact CD2-CD1 3.48Å; L205-F374 VanDerWaalsContact CD2-CD1 3.48Å; L205-F374 HydrophobicContact CD2-CE1 3.93Å; L205-F374 HydrophobicContact CD2-CG 4.04Å; L205-F374 HydrophobicContact CG-CD1 3.81Å; L205-F374 HydrophobicContact CG-CE1 4.11Å
206H86.5Confident70.9Confident48 Ų4880.7 Ų80.722%0.22240%0.395CS..Hα-helixtrans-72.6-38.7179.7177.5-115.1000112.1A203 K204 Y209 K210 W298A203-H206 WeakPolarHBondContact O-CB 3.42Å; A203-H206 PolarHBondContact O-N 2.81Å; K204-H206 VanDerWaalsContact C-N 3.33Å; K204-H206 PolarHBondContact O-N 3.32Å; H206-Y209 WeakPolarHBondContact O-CB 3.26Å; H206-Y209 PolarHBondContact O-N 3.24Å; H206-K210 WeakPolarHBondContact CE1-CE 3.41Å; H206-K210 PolarHBondContact CE1-NZ 2.75Å; H206-K210 VanDerWaalsContact CE1-NZ 3.28Å; H206-K210 WeakPolarHBondContact NE2-CE 3.38Å; H206-K210 PolarHBondContact O-N 3.04Å; H206-W298 HydrophobicContact CB-CD2 3.91Å; H206-W298 HydrophobicContact CB-CG 3.91Å; H206-W298 AromaticContact CD2-CE2 3.55Å; H206-W298 AromaticContact CD2-CZ2 3.77Å; H206-W298 AromaticContact CD2-NE1 3.28Å; H206-W298 PolarHBondContact CD2-NE1 3.29Å; H206-W298 VanDerWaalsContact CD2-NE1 3.28Å; H206-W298 AromaticContact CG-NE1 3.78Å
207D85.8Confident73.2Confident68 Ų6878.1 Ų78.136%0.36438%0.38SS..Hα-helixtrans-71-45175.2-64.2-22.8000109.8K204 Y209 K210 D211K204-D207 PolarHBondContact O-N 2.82Å; D207-Y209 PolarHBondContact O-N 3.41Å; D207-K210 PolarHBondContact O-N 3.27Å; D207-D211 WeakPolarHBondContact O-CB 3.39Å; D207-D211 PolarHBondContact O-N 2.89Å
208Y87.3Confident75.9Confident78 Ų7874.8 Ų74.831%0.30636%0.362SS..Hα-helixtrans-53.3-41.3170.7178.8-103.9000112.6K204 E212 V213 A373 F374K204-Y208 WeakPolarHBondContact O-CB 3.39Å; K204-Y208 PolarHBondContact O-N 3.02Å; Y208-E212 HydrophobicContact CD2-CB 4.23Å; Y208-E212 HydrophobicContact CD2-CG 4.32Å; Y208-E212 HydrophobicContact CE2-CB 4.01Å; Y208-E212 HydrophobicContact CE2-CG 4.26Å; Y208-E212 WeakPolarHBondContact CE2-OE2 3.44Å; Y208-E212 PolarHBondContact O-N 2.82Å; Y208-V213 HydrophobicContact CD1-CG2 3.61Å; Y208-V213 HydrophobicContact CE1-CG2 3.32Å; Y208-V213 PolarHBondContact O-N 3.19Å; Y208-A373 WeakPolarHBondContact CE1-O 3.21Å; Y208-A373 PolarHBondContact OH-O 3.32Å; Y208-F374 AromaticContact CD1-CD1 3.96Å; Y208-F374 HydrophobicContact CD1-CD1 3.96Å; Y208-F374 HydrophobicContact CD1-CE1 4.07Å; Y208-F374 HydrophobicContact CE1-CD1 4.17Å
209Y91.7Very high78.7Confident22 Ų2270.8 Ų70.89%0.08636%0.36CS..Iπ-helixtrans-58-52.6174.6171.1-104.9000111.6L205 H206 D207 V213 V214 P230 R231 W298 L370 F374L205-Y209 VanDerWaalsContact O-CB 3.28Å; L205-Y209 WeakPolarHBondContact O-CB 3.25Å; L205-Y209 PolarHBondContact O-N 2.83Å; H206-Y209 WeakPolarHBondContact O-CB 3.26Å; H206-Y209 PolarHBondContact O-N 3.24Å; D207-Y209 PolarHBondContact O-N 3.41Å; Y209-V213 HydrophobicContact CD2-CB 3.88Å; Y209-V213 HydrophobicContact CD2-CG1 3.84Å; Y209-V213 HydrophobicContact CE2-CG1 4.2Å; Y209-V213 PolarHBondContact O-N 2.81Å; Y209-V214 HydrophobicContact CD1-CG2 4.11Å; Y209-V214 HydrophobicContact CD2-CG2 4.32Å; Y209-V214 HydrophobicContact CE1-CG2 3.63Å; Y209-V214 HydrophobicContact CE2-CG2 3.87Å; Y209-V214 HydrophobicContact CG-CG2 4.42Å; Y209-V214 VanDerWaalsContact CZ-CG2 3.48Å; Y209-V214 VanDerWaalsContact O-CG2 3.26Å; Y209-V214 WeakPolarHBondContact O-CG2 3.35Å; Y209-V214 PolarHBondContact O-N 2.76Å; Y209-P230 WeakPolarHBondContact CE2-O 3.48Å; Y209-P230 PolarHBondContact OH-O 3.14Å; Y209-R231 HydrophobicContact CE1-CB 4.23Å; Y209-R231 HydrophobicContact CE2-CB 4.31Å; Y209-R231 WeakPolarHBondContact OH-CB 3.37Å; Y209-W298 HydrophobicContact CD1-CH2 4.43Å; Y209-W298 HydrophobicContact CD2-CH2 4.5Å; Y209-W298 HydrophobicContact CG-CH2 4.05Å; Y209-L370 HydrophobicContact CD2-CD1 4.38Å; Y209-L370 HydrophobicContact CE2-CD1 3.98Å; Y209-F374 HydrophobicContact CD2-CE1 4.48Å; Y209-F374 HydrophobicContact CD2-CE2 4.34Å; Y209-F374 AromaticContact CD2-CZ 3.63Å; Y209-F374 HydrophobicContact CD2-CZ 3.63Å; Y209-F374 HydrophobicContact CG-CZ 4.07Å
210K89Confident81.3Confident113 Ų11372 Ų7249%0.49136%0.356SS..Iπ-helixtrans-65.2-41.7-177.6-73177.9174179.70112.9H206 D207H206-K210 WeakPolarHBondContact CE1-CE 3.41Å; H206-K210 PolarHBondContact CE1-NZ 2.75Å; H206-K210 VanDerWaalsContact CE1-NZ 3.28Å; H206-K210 WeakPolarHBondContact NE2-CE 3.38Å; H206-K210 PolarHBondContact O-N 3.04Å; D207-K210 PolarHBondContact O-N 3.27Å
211D89.7Confident83.7Confident97 Ų9771.5 Ų71.552%0.51935%0.346SS..Iπ-helixtrans-84.2-34.9-169.2-69.6-20000112.6D207 K215D207-D211 WeakPolarHBondContact O-CB 3.39Å; D207-D211 PolarHBondContact O-N 2.89Å; D211-K215 VanDerWaalsContact O-CD 3.25Å; D211-K215 WeakPolarHBondContact O-CD 3.46Å; D211-K215 WeakPolarHBondContact O-CE 3.5Å; D211-K215 PolarHBondContact O-NZ 2.78Å
212E91.3Very high86.1Confident114 Ų11473.2 Ų73.253%0.53335%0.352SS..Iπ-helixtrans-121.5-54.4-171.8-62.3-169.5-162.100113Y208 V214 K215 K216Y208-E212 HydrophobicContact CD2-CB 4.23Å; Y208-E212 HydrophobicContact CD2-CG 4.32Å; Y208-E212 HydrophobicContact CE2-CB 4.01Å; Y208-E212 HydrophobicContact CE2-CG 4.26Å; Y208-E212 WeakPolarHBondContact CE2-OE2 3.44Å; Y208-E212 PolarHBondContact O-N 2.82Å; E212-V214 PolarHBondContact O-N 2.72Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K216 PolarHBondContact O-N 2.9Å
213V92.4Very high88.4Confident1 Ų170.9 Ų70.91%0.00634%0.339CS..Iπ-helixtrans-62.9-42.5-173.9179.10000111.5Y208 Y209 K215 K216 L217 L370 A373 F374Y208-V213 HydrophobicContact CD1-CG2 3.61Å; Y208-V213 HydrophobicContact CE1-CG2 3.32Å; Y208-V213 PolarHBondContact O-N 3.19Å; Y209-V213 HydrophobicContact CD2-CB 3.88Å; Y209-V213 HydrophobicContact CD2-CG1 3.84Å; Y209-V213 HydrophobicContact CE2-CG1 4.2Å; Y209-V213 PolarHBondContact O-N 2.81Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.13Å; V213-K216 PolarHBondContact O-N 2.91Å; V213-L217 HydrophobicContact CG1-CD1 3.7Å; V213-L217 HydrophobicContact CG1-CG 4.11Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.42Å; V213-L370 HydrophobicContact CG1-CD1 4.19Å; V213-A373 HydrophobicContact CB-CB 4.4Å; V213-A373 HydrophobicContact CG1-CB 3.62Å; V213-A373 HydrophobicContact CG2-CB 4.13Å; V213-F374 HydrophobicContact CG2-CD1 4.3Å; V213-F374 HydrophobicContact CG2-CE1 3.99Å; V213-F374 HydrophobicContact CG2-CZ 4.32Å
214V93.3Very high90.2Very high16 Ų1677.9 Ų77.910%0.09738%0.376CS..Hα-helixtrans-58.4-45.7178.3164.70000111.1Y209 E212 M218 V226 V229Y209-V214 HydrophobicContact CD1-CG2 4.11Å; Y209-V214 HydrophobicContact CD2-CG2 4.32Å; Y209-V214 HydrophobicContact CE1-CG2 3.63Å; Y209-V214 HydrophobicContact CE2-CG2 3.87Å; Y209-V214 HydrophobicContact CG-CG2 4.42Å; Y209-V214 VanDerWaalsContact CZ-CG2 3.48Å; Y209-V214 VanDerWaalsContact O-CG2 3.26Å; Y209-V214 WeakPolarHBondContact O-CG2 3.35Å; Y209-V214 PolarHBondContact O-N 2.76Å; E212-V214 PolarHBondContact O-N 2.72Å; V214-M218 WeakPolarHBondContact O-CB 3.25Å; V214-M218 PolarHBondContact O-N 3.42Å; V214-V226 HydrophobicContact CG1-CG1 3.71Å; V214-V229 HydrophobicContact CG1-CG2 4.4Å; V214-V229 HydrophobicContact CG2-CG1 4.43Å
215K93.2Very high91.1Very high135 Ų13573.2 Ų73.259%0.58736%0.362SS*.Hα-helixtrans-64.6-43.8178.9-64.4179.1-173.1145.60111.3D211 E212 V213 M218 T219D211-K215 VanDerWaalsContact O-CD 3.25Å; D211-K215 WeakPolarHBondContact O-CD 3.46Å; D211-K215 WeakPolarHBondContact O-CE 3.5Å; D211-K215 PolarHBondContact O-NZ 2.78Å; E212-K215 PolarHBondContact O-N 2.97Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.13Å; K215-M218 PolarHBondContact O-N 3.49Å; K215-T219 PolarHBondContact O-N 3.5Å; K215-T219 VanDerWaalsContact O-N 3.15Å; K215-T219 PolarHBondContact O-OG1 3.4Å
216K93.3Very high91.5Very high115 Ų11576 Ų7650%0.538%0.38SS..Hα-helixtrans-59.8-51.6178.9-175.5-179.8176.7-1770111.6E212 V213 M218 T219 E220E212-K216 PolarHBondContact O-N 2.9Å; V213-K216 PolarHBondContact O-N 2.91Å; K216-M218 VanDerWaalsContact C-N 3.33Å; K216-M218 PolarHBondContact O-N 2.79Å; K216-T219 PolarHBondContact O-N 3.38Å; K216-E220 WeakPolarHBondContact O-CB 3.44Å; K216-E220 PolarHBondContact O-N 3.32Å
217L93.5Very high91.7Very high0 Ų080.7 Ų80.70%040%0.403CS..Hα-helixtrans-68.5-32.7-179.4-67.2176.9000112.6V213 T219 E220 F221 V229 A369 L370V213-L217 HydrophobicContact CG1-CD1 3.7Å; V213-L217 HydrophobicContact CG1-CG 4.11Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.42Å; L217-T219 VanDerWaalsContact C-N 3.32Å; L217-E220 PolarHBondContact O-N 3.21Å; L217-F221 HydrophobicContact CD2-CD2 4.29Å; L217-F221 HydrophobicContact CD2-CE2 4.03Å; L217-F221 PolarHBondContact O-N 2.89Å; L217-V229 HydrophobicContact CB-CG1 3.77Å; L217-V229 HydrophobicContact CD1-CG1 3.91Å; L217-A369 HydrophobicContact CD2-CB 3.88Å; L217-L370 HydrophobicContact CD1-CB 4.26Å; L217-L370 HydrophobicContact CD1-CD1 3.7Å
218M93.7Very high92Very high61 Ų6182 Ų8230%0.341%0.407SS..Hα-helixtrans-60.9-42.5174.5-168.2174.8-15500111.5V214 K215 K216 N222 Y223 V226 V229V214-M218 WeakPolarHBondContact O-CB 3.25Å; V214-M218 PolarHBondContact O-N 3.42Å; K215-M218 PolarHBondContact O-N 3.49Å; K216-M218 VanDerWaalsContact C-N 3.33Å; K216-M218 PolarHBondContact O-N 2.79Å; M218-N222 WeakPolarHBondContact O-CA 3.47Å; M218-N222 PolarHBondContact O-N 3.42Å; M218-Y223 PolarHBondContact O-N 3.08Å; M218-V226 HydrophobicContact CE-CG2 3.85Å; M218-V226 HydrophobicContact SD-CG2 4.16Å; M218-V229 HydrophobicContact CB-CG2 4.37Å
219T92.5Very high92.4Very high117 Ų11778.3 Ų78.372%0.71839%0.393SS*.Hα-helixtrans-71.5-42.9175.3-54.40000112.1K215 K216 L217K215-T219 PolarHBondContact O-N 3.5Å; K215-T219 VanDerWaalsContact O-N 3.15Å; K215-T219 PolarHBondContact O-OG1 3.4Å; K216-T219 PolarHBondContact O-N 3.38Å; L217-T219 VanDerWaalsContact C-N 3.32Å
220E92.5Very high92.6Very high111 Ų11177.3 Ų77.352%0.51939%0.389SS..Hα-helixtrans-65.7-43.2-175-171.6171.6173.200112.9K216 L217K216-E220 WeakPolarHBondContact O-CB 3.44Å; K216-E220 PolarHBondContact O-N 3.32Å; L217-E220 PolarHBondContact O-N 3.21Å
221F93.7Very high92.8Very high51 Ų5176.8 Ų76.822%0.22438%0.384CS..THydrogen-bonded Turntrans-104.13.5180-66.9-81.6000113.7L217 Y223 E365 E366 A369L217-F221 HydrophobicContact CD2-CD2 4.29Å; L217-F221 HydrophobicContact CD2-CE2 4.03Å; L217-F221 PolarHBondContact O-N 2.89Å; F221-Y223 HydrophobicContact CB-CD2 3.94Å; F221-Y223 HydrophobicContact CB-CE1 4.18Å; F221-Y223 HydrophobicContact CB-CE2 3.48Å; F221-Y223 VanDerWaalsContact CB-CE2 3.48Å; F221-Y223 HydrophobicContact CB-CG 4.48Å; F221-Y223 HydrophobicContact CD2-CE2 4.18Å; F221-Y223 HydrophobicContact CG-CE2 4.1Å; F221-Y223 PolarHBondContact O-N 2.93Å; F221-E365 HydrophobicContact CE1-CG 4.1Å; F221-E365 HydrophobicContact CZ-CG 4.2Å; F221-E366 HydrophobicContact CD1-CG 4.12Å; F221-E366 HydrophobicContact CE1-CG 3.95Å; F221-E366 HydrophobicContact CZ-CG 4.26Å; F221-A369 HydrophobicContact CE2-CB 3.45Å; F221-A369 VanDerWaalsContact CE2-CB 3.45Å; F221-A369 HydrophobicContact CZ-CB 3.65Å
222N92.4Very high93.1Very high135 Ų13572.4 Ų72.472%0.72236%0.361SS*.THydrogen-bonded Turntrans51.349.3177.9-149.830.8000113.5M218M218-N222 WeakPolarHBondContact O-CA 3.47Å; M218-N222 PolarHBondContact O-N 3.42Å
223Y93.2Very high93.3Very high28 Ų2871.2 Ų71.211%0.1136%0.355CS..  trans-70.1137.6-178.1-70.1-61.8000112.5M218 F221 S225 Q228 V229 P230 E366M218-Y223 PolarHBondContact O-N 3.08Å; F221-Y223 HydrophobicContact CB-CD2 3.94Å; F221-Y223 HydrophobicContact CB-CE1 4.18Å; F221-Y223 HydrophobicContact CB-CE2 3.48Å; F221-Y223 VanDerWaalsContact CB-CE2 3.48Å; F221-Y223 HydrophobicContact CB-CG 4.48Å; F221-Y223 HydrophobicContact CD2-CE2 4.18Å; F221-Y223 HydrophobicContact CG-CE2 4.1Å; F221-Y223 PolarHBondContact O-N 2.93Å; Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 2.64Å; Y223-Q228 HydrophobicContact CD1-CB 3.83Å; Y223-Q228 HydrophobicContact CE1-CB 4.45Å; Y223-Q228 HydrophobicContact CG-CB 4.22Å; Y223-V229 HydrophobicContact CD2-CB 4.4Å; Y223-V229 HydrophobicContact CD2-CG2 3.8Å; Y223-V229 HydrophobicContact CE2-CG2 4.47Å; Y223-V229 HydrophobicContact CG-CG2 4.39Å; Y223-P230 VanDerWaalsContact CE2-CD 3.5Å; Y223-P230 HydrophobicContact CE2-CG 4.44Å; Y223-P230 WeakPolarHBondContact OH-CD 3.36Å; Y223-P230 WeakPolarHBondContact OH-CG 3.31Å; Y223-E366 VanDerWaalsContact OH-CG 3.32Å; Y223-E366 WeakPolarHBondContact OH-CG 3.45Å; Y223-E366 PolarHBondContact OH-OE1 3.26Å
224N91.6Very high93.5Very high152 Ų15273.7 Ų73.781%0.81337%0.366SS*.SBendtrans-75-24.1178.9-67-33.2000113.3
225S93Very high93.8Very high51 Ų5172.9 Ų72.936%0.35736%0.361SS..SBendtrans-138.1138.9-178.7-179.80000110.6Y223 M227 Q228Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 2.64Å; S225-M227 PolarHBondContact O-N 3.24Å; S225-M227 VanDerWaalsContact O-N 3.1Å; S225-M227 PolarHBondContact OG-N 2.89Å; S225-Q228 WeakPolarHBondContact O-CB 3.42Å; S225-Q228 PolarHBondContact O-N 2.83Å
226V91Very high94Very high82 Ų8267.9 Ų67.950%0.49734%0.342SS..G310 helixtrans-55.4-30174.1-179.20000111.6V214 M218 Q228 V229V214-V226 HydrophobicContact CG1-CG1 3.71Å; M218-V226 HydrophobicContact CE-CG2 3.85Å; M218-V226 HydrophobicContact SD-CG2 4.16Å; V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 2.84Å; V226-V229 WeakPolarHBondContact O-CB 3.42Å; V226-V229 WeakPolarHBondContact O-CG2 3.21Å; V226-V229 PolarHBondContact O-N 3.08Å
227M91.1Very high94.2Very high147 Ų14762.4 Ų62.472%0.72432%0.318SS*.G310 helixtrans-71.7-18179-63.4-64-69.700113.7S225S225-M227 PolarHBondContact O-N 3.24Å; S225-M227 VanDerWaalsContact O-N 3.1Å; S225-M227 PolarHBondContact OG-N 2.89Å
228Q92.5Very high94.3Very high96 Ų9665 Ų6545%0.44933%0.332SS..G310 helixtrans-80.2-20.1175.1-68.3178.6-33.900112.4Y223 S225 V226Y223-Q228 HydrophobicContact CD1-CB 3.83Å; Y223-Q228 HydrophobicContact CE1-CB 4.45Å; Y223-Q228 HydrophobicContact CG-CB 4.22Å; S225-Q228 WeakPolarHBondContact O-CB 3.42Å; S225-Q228 PolarHBondContact O-N 2.83Å; V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 2.84Å
229V95.1Very high94.3Very high0 Ų062.1 Ų62.10%032%0.318CS..SBendtrans-60.9129.2-178.3-177.90000109.8V214 L217 M218 Y223 V226V214-V229 HydrophobicContact CG1-CG2 4.4Å; V214-V229 HydrophobicContact CG2-CG1 4.43Å; L217-V229 HydrophobicContact CB-CG1 3.77Å; L217-V229 HydrophobicContact CD1-CG1 3.91Å; M218-V229 HydrophobicContact CB-CG2 4.37Å; Y223-V229 HydrophobicContact CD2-CB 4.4Å; Y223-V229 HydrophobicContact CD2-CG2 3.8Å; Y223-V229 HydrophobicContact CE2-CG2 4.47Å; Y223-V229 HydrophobicContact CG-CG2 4.39Å; V226-V229 WeakPolarHBondContact O-CB 3.42Å; V226-V229 WeakPolarHBondContact O-CG2 3.21Å; V226-V229 PolarHBondContact O-N 3.08Å
230P95.6Very high94.3Very high1 Ų159.4 Ų59.41%0.00631%0.313CS..  trans-55.9143.8178.2-27.534.4000112.5Y209 Y223 A361 E366 L370Y209-P230 WeakPolarHBondContact CE2-O 3.48Å; Y209-P230 PolarHBondContact OH-O 3.14Å; Y223-P230 VanDerWaalsContact CE2-CD 3.5Å; Y223-P230 HydrophobicContact CE2-CG 4.44Å; Y223-P230 WeakPolarHBondContact OH-CD 3.36Å; Y223-P230 WeakPolarHBondContact OH-CG 3.31Å; P230-A361 HydrophobicContact CB-CB 4.09Å; P230-A361 HydrophobicContact CG-CB 4.28Å; P230-E366 HydrophobicContact CG-CB 4.05Å; P230-L370 HydrophobicContact CB-CB 4.36Å; P230-L370 HydrophobicContact CB-CD2 3.98Å; P230-L370 WeakPolarHBondContact O-CD1 3.33Å
231R94.6Very high94.3Very high102 Ų10254.5 Ų54.539%0.38529%0.29SS..  trans-139.3159.2171.966.9-175.7177.2-84.4-1.3111.1Y209 E233 T359 T360Y209-R231 HydrophobicContact CE1-CB 4.23Å; Y209-R231 HydrophobicContact CE2-CB 4.31Å; Y209-R231 WeakPolarHBondContact OH-CB 3.37Å; R231-E233 PolarHBondContact O-N 2.77Å; R231-T359 CarbonylContact O-C 3.53Å; R231-T359 VanDerWaalsContact O-CA 3.23Å; R231-T359 WeakPolarHBondContact O-CA 3.47Å; R231-T359 WeakPolarHBondContact O-CB 3.36Å; R231-T360 HydrophobicContact CG-CG2 3.8Å; R231-T360 PolarHBondContact N-OG1 3.49Å; R231-T360 PolarHBondContact O-N 3.43Å
232V95.7Very high93.9Very high5 Ų554.4 Ų54.43%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-74.5119.2167.8-173.10000108.2I235 M297 F301 I357 L370V232-I235 HydrophobicContact CG1-CD1 4.43Å; V232-I235 HydrophobicContact CG1-CG1 4.06Å; V232-M297 HydrophobicContact CB-CE 4.09Å; V232-M297 HydrophobicContact CB-SD 4.35Å; V232-M297 HydrophobicContact CG1-CE 4.05Å; V232-M297 HydrophobicContact CG1-CG 4.46Å; V232-M297 HydrophobicContact CG1-SD 3.68Å; V232-M297 WeakPolarHBondContact O-CE 3.34Å; V232-F301 HydrophobicContact CG2-CE1 4.47Å; V232-I357 HydrophobicContact CG1-CG2 3.64Å; V232-I357 HydrophobicContact CG2-CG2 4.2Å; V232-L370 HydrophobicContact CG2-CD2 4.24Å
233E95.3Very high93.5Very high89 Ų8951.9 Ų51.942%0.41629%0.288SS..EExtended strand (participates in β ladder)trans-86.9-44.7-178.1-167-158.3168.500111.3R231 T358 T360R231-E233 PolarHBondContact O-N 2.77Å; E233-T358 PolarHBondContact N-O 2.91Å; E233-T360 HydrophobicContact CB-CG2 4.29Å
234K97.6Very high93.1Very high53 Ų5350.9 Ų50.923%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-159.4155.2-177.960.7-173.2175.1-157.60110.1T291 L292 R293 M297 T358K234-T291 HydrophobicContact CB-CG2 4.01Å; K234-T291 HydrophobicContact CD-CG2 3.99Å; K234-T291 HydrophobicContact CG-CG2 4.36Å; K234-L292 WeakPolarHBondContact CA-O 3.31Å; K234-L292 WeakPolarHBondContact CB-O 3.31Å; K234-R293 HydrophobicContact CB-CG 3.85Å; K234-M297 VanDerWaalsContact CA-SD 3.51Å; K234-T358 WeakPolarHBondContact CE-OG1 3.07Å; K234-T358 HydrophobicContact CG-CG2 4.3Å; K234-T358 PolarHBondContact N-O 2.89Å; K234-T358 PolarHBondContact O-N 3.21Å
235I98Very high92.7Very high0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-118.3126.4168.4-63.6172.9000108V232 L237 L292 M297 F300 F301 I355 T356 I357V232-I235 HydrophobicContact CG1-CD1 4.43Å; V232-I235 HydrophobicContact CG1-CG1 4.06Å; I235-L237 HydrophobicContact CG2-CD2 3.92Å; I235-L292 PolarHBondContact N-O 3.39Å; I235-L292 VanDerWaalsContact N-O 3.07Å; I235-L292 PolarHBondContact O-N 2.94Å; I235-M297 HydrophobicContact CB-CG 4.13Å; I235-M297 HydrophobicContact CD1-CG 3.76Å; I235-M297 HydrophobicContact CG1-CG 3.7Å; I235-M297 HydrophobicContact CG1-SD 4.47Å; I235-F300 HydrophobicContact CD1-CD1 3.98Å; I235-F300 HydrophobicContact CD1-CE1 4.49Å; I235-F300 HydrophobicContact CG2-CD1 3.93Å; I235-F300 HydrophobicContact CG2-CE1 3.75Å; I235-F301 HydrophobicContact CD1-CB 3.71Å; I235-F301 HydrophobicContact CD1-CD2 3.77Å; I235-F301 HydrophobicContact CD1-CG 3.98Å; I235-I355 HydrophobicContact CG2-CG2 3.8Å; I235-T356 CarbonylContact C-O 3.58Å; I235-T356 WeakPolarHBondContact CA-O 3.37Å; I235-I357 HydrophobicContact CG1-CG1 4.3Å; I235-I357 HydrophobicContact CG1-CG2 4.33Å
236T98.1Very high92.3Very high30 Ų3048.9 Ų48.918%0.18428%0.284CS..EExtended strand (participates in β ladder)trans-105.7128.6175.7-56.90000109.5V290 T356T236-V290 WeakPolarHBondContact CA-O 3.44Å; T236-T356 PolarHBondContact N-O 2.76Å; T236-T356 PolarHBondContact O-N 3.31Å
237L97.3Very high92Very high0 Ų048.1 Ų48.10%028%0.277CS..EExtended strand (participates in β ladder)trans-109.5127.9176.3-54.4-177.6000108I235 L258 I261 K289 V290 L292 F300 L353 D354 I355I235-L237 HydrophobicContact CG2-CD2 3.92Å; L237-L258 HydrophobicContact CB-CD1 3.96Å; L237-L258 HydrophobicContact CD1-CD1 4.34Å; L237-I261 HydrophobicContact CD1-CG2 4.46Å; L237-K289 CarbonylContact O-C 3.55Å; L237-K289 WeakPolarHBondContact O-CA 3.11Å; L237-K289 WeakPolarHBondContact O-CB 3.35Å; L237-V290 PolarHBondContact N-O 2.88Å; L237-V290 PolarHBondContact O-N 2.97Å; L237-L292 HydrophobicContact CD1-CD1 3.95Å; L237-L292 HydrophobicContact CG-CD1 4.5Å; L237-F300 HydrophobicContact CD1-CD2 3.92Å; L237-F300 HydrophobicContact CD1-CE2 3.55Å; L237-F300 HydrophobicContact CD1-CZ 3.91Å; L237-F300 HydrophobicContact CD2-CE1 3.65Å; L237-F300 HydrophobicContact CD2-CE2 3.88Å; L237-F300 HydrophobicContact CD2-CZ 3.3Å; L237-F300 HydrophobicContact CG-CE2 4.35Å; L237-F300 HydrophobicContact CG-CZ 4.22Å; L237-L353 HydrophobicContact CB-CD1 4.14Å; L237-D354 WeakPolarHBondContact CA-O 3.38Å; L237-I355 HydrophobicContact CD2-CB 4.19Å; L237-I355 HydrophobicContact CD2-CD1 4.49Å; L237-I355 HydrophobicContact CD2-CG1 3.8Å; L237-I355 HydrophobicContact CD2-CG2 3.88Å
238N96.1Very high91.8Very high54 Ų5447.7 Ų47.729%0.28927%0.271SS..EExtended strand (participates in β ladder)trans-138.5136-177177.167.9000111.3C288 K289 D354N238-C288 PolarHBondContact OD1-O 2.91Å; N238-K289 HydrophobicContact CB-CB 4.28Å; N238-D354 PolarHBondContact N-O 2.78Å; N238-D354 PolarHBondContact O-N 3.26Å
239M94.6Very high91.7Very high1 Ų150.1 Ų50.11%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-125.4121171.6-65.1-169.1-6500109.9V241 A254 L258 G287 C288 G352 L353M239-V241 HydrophobicContact CB-CG2 4.46Å; M239-A254 HydrophobicContact CE-CB 4.07Å; M239-A254 WeakPolarHBondContact CE-O 3.15Å; M239-L258 HydrophobicContact CE-CB 3.59Å; M239-L258 HydrophobicContact CE-CD1 4.04Å; M239-L258 HydrophobicContact CE-CD2 4.18Å; M239-L258 HydrophobicContact CE-CG 4.14Å; M239-G287 WeakPolarHBondContact O-CA 3.42Å; M239-C288 PolarHBondContact N-O 2.84Å; M239-C288 PolarHBondContact O-N 3.11Å; M239-G352 WeakPolarHBondContact CG-O 3.47Å; M239-L353 HydrophobicContact CG-CB 4.19Å; M239-L353 HydrophobicContact CG-CD1 3.38Å; M239-L353 HydrophobicContact CG-CG 4.41Å; M239-L353 HydrophobicContact SD-CB 4.43Å; M239-L353 HydrophobicContact SD-CD1 4.06Å
240G92.3Very high91.4Very high59 Ų5951.4 Ų51.461%0.60829%0.287SS*.EExtended strand (participates in β ladder)trans-82.8121.7164.600000109.9
241V91.4Very high91.3Very high8 Ų851.5 Ų51.55%0.04829%0.287CS..  trans-116.874.6-180-170.10000108M239 E243 A244 L250 L251 A254 I286M239-V241 HydrophobicContact CB-CG2 4.46Å; V241-E243 PolarHBondContact O-N 3.35Å; V241-E243 VanDerWaalsContact O-N 3.1Å; V241-A244 HydrophobicContact CB-CB 4.27Å; V241-A244 HydrophobicContact CG1-CB 4.1Å; V241-A244 WeakPolarHBondContact O-CB 3.22Å; V241-A244 PolarHBondContact O-N 3.14Å; V241-L250 HydrophobicContact CG1-CB 4.49Å; V241-L251 HydrophobicContact CB-CD1 3.97Å; V241-L251 HydrophobicContact CG2-CD1 3.98Å; V241-A254 HydrophobicContact CG2-CB 3.65Å; V241-I286 CarbonylContact C-O 3.54Å; V241-I286 VanDerWaalsContact CA-O 3.28Å; V241-I286 WeakPolarHBondContact CA-O 3.37Å; V241-I286 WeakPolarHBondContact CB-O 3.3Å; V241-I286 PolarHBondContact N-O 2.85Å
242G85.3Confident91.1Very high49 Ų4950.7 Ų50.751%0.50529%0.291SS..G310 helixtrans-57.4-28.5-175.900000114A244 I245G242-A244 PolarHBondContact O-N 3.19Å; G242-I245 WeakPolarHBondContact O-CD1 3.09Å; G242-I245 WeakPolarHBondContact O-CG1 3.12Å
243E84.5Confident91Very high82 Ų8253.7 Ų53.738%0.38331%0.307SS..G310 helixtrans-71.8-14177.9-62.5168.1-171.200113.6V241 I245 A246 D247 L250 R349V241-E243 PolarHBondContact O-N 3.35Å; V241-E243 VanDerWaalsContact O-N 3.1Å; E243-I245 PolarHBondContact O-N 2.81Å; E243-I245 VanDerWaalsContact O-N 3.08Å; E243-A246 PolarHBondContact O-N 3.24Å; E243-D247 PolarHBondContact O-N 3.07Å; E243-L250 HydrophobicContact CB-CD1 3.86Å; E243-R349 IonicContact OE1-CZ 3.52Å; E243-R349 IonicContact OE1-NE 3.39Å; E243-R349 IonicContact OE1-NH1 2.64Å; E243-R349 PolarHBondContact OE1-NH1 3.33Å; E243-R349 WeakPolarHBondContact OE2-CD 3.26Å; E243-R349 IonicContact OE2-CZ 2.95Å; E243-R349 IonicContact OE2-NE 3.13Å; E243-R349 PolarHBondContact OE2-NE 3.37Å; E243-R349 VanDerWaalsContact OE2-NE 3.13Å; E243-R349 IonicContact OE2-NH1 2.93Å; E243-R349 PolarHBondContact OE2-NH1 3.33Å; E243-R349 IonicContact OE2-NH2 3.62Å
244A84Confident90.9Very high7 Ų749.5 Ų49.56%0.05829%0.287CS..G310 helixtrans-59.7-19.9176.500000113.3V241 G242 A246 D247 L251V241-A244 HydrophobicContact CB-CB 4.27Å; V241-A244 HydrophobicContact CG1-CB 4.1Å; V241-A244 WeakPolarHBondContact O-CB 3.22Å; V241-A244 PolarHBondContact O-N 3.14Å; G242-A244 PolarHBondContact O-N 3.19Å; A244-A246 VanDerWaalsContact C-N 3.28Å; A244-A246 PolarHBondContact O-N 3Å; A244-D247 WeakPolarHBondContact CA-O 3.46Å; A244-D247 CarbonylContact O-C 3.53Å; A244-L251 HydrophobicContact CB-CB 3.78Å; A244-L251 HydrophobicContact CB-CD1 4.28Å; A244-L251 HydrophobicContact CB-CD2 4.28Å; A244-L251 HydrophobicContact CB-CG 4.35Å
245I83.5Confident90.7Very high62 Ų6247.7 Ų47.732%0.31828%0.282SS..G310 helixtrans-63.2-37.9175.3-58.9168.5000110.7G242 E243 I280 Y284G242-I245 WeakPolarHBondContact O-CD1 3.09Å; G242-I245 WeakPolarHBondContact O-CG1 3.12Å; E243-I245 PolarHBondContact O-N 2.81Å; E243-I245 VanDerWaalsContact O-N 3.08Å; I245-I280 HydrophobicContact CD1-CD1 4.15Å; I245-I280 HydrophobicContact CD1-CG1 3.45Å; I245-I280 VanDerWaalsContact CD1-CG1 3.45Å; I245-I280 HydrophobicContact CG1-CG1 4.4Å; I245-Y284 HydrophobicContact CG2-CD2 4.49Å
246A83.9Confident90.5Very high100 Ų10050.4 Ų50.483%0.82631%0.305SS*.THydrogen-bonded Turntrans-87.2-41.9179.500000111.7E243 A244E243-A246 PolarHBondContact O-N 3.24Å; A244-A246 VanDerWaalsContact C-N 3.28Å; A244-A246 PolarHBondContact O-N 3Å
247D86.5Confident90.2Very high65 Ų6550.3 Ų50.335%0.34830%0.303SS..  trans-132.6109.9-179.9-173.2-0.9000112E243 A244 K249 L250E243-D247 PolarHBondContact O-N 3.07Å; A244-D247 WeakPolarHBondContact CA-O 3.46Å; A244-D247 CarbonylContact O-C 3.53Å; D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 VanDerWaalsContact OD1-CB 3.27Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.29Å; D247-K249 PolarHBondContact OD1-N 2.9Å; D247-L250 HydrophobicContact CB-CD1 4.06Å; D247-L250 HydrophobicContact CB-CG 4.04Å; D247-L250 PolarHBondContact O-N 3.32Å
248K86.2Confident90.1Very high138 Ų13850.3 Ų50.360%0.630%0.303SS*.Hα-helixtrans-60.8-29.2176.6-173.4180173.4-170.80112.6L250 L251 D252K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 2.93Å; K248-L251 WeakPolarHBondContact O-CB 3.48Å; K248-L251 PolarHBondContact O-N 2.97Å; K248-L251 VanDerWaalsContact O-N 3.13Å; K248-D252 PolarHBondContact O-N 3.06Å
249K90.2Very high90Very high148 Ų14849.3 Ų49.364%0.64330%0.302SS*.Hα-helixtrans-64.3-33.4-178.8-64176.5179.2174.70112.1D247 L251 D252 N253D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 VanDerWaalsContact OD1-CB 3.27Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 WeakPolarHBondContact OD1-CG 3.29Å; D247-K249 PolarHBondContact OD1-N 2.9Å; K249-L251 PolarHBondContact O-N 3.36Å; K249-D252 PolarHBondContact O-N 3.28Å; K249-D252 VanDerWaalsContact O-N 3.16Å; K249-N253 PolarHBondContact O-N 2.66Å
250L89.7Confident89.9Confident27 Ų2751.6 Ų51.614%0.14132%0.321CS..Hα-helixtrans-62.1-32.4176.7-64.7178.2000112V241 E243 D247 K248 A254 D348 R351V241-L250 HydrophobicContact CG1-CB 4.49Å; E243-L250 HydrophobicContact CB-CD1 3.86Å; D247-L250 HydrophobicContact CB-CD1 4.06Å; D247-L250 HydrophobicContact CB-CG 4.04Å; D247-L250 PolarHBondContact O-N 3.32Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 2.93Å; L250-A254 WeakPolarHBondContact O-CB 3.24Å; L250-A254 PolarHBondContact O-N 2.91Å; L250-D348 VanDerWaalsContact CD2-OD2 3.31Å; L250-D348 WeakPolarHBondContact CD2-OD2 3.28Å; L250-R351 PolarHBondContact O-NH2 2.87Å
251L91.8Very high89.9Confident3 Ų348.9 Ų48.92%0.01629%0.293CS..Hα-helixtrans-72.5-40.2176-173.264000111.9V241 A244 K248 K249 N253 A254 A255 I268 P285V241-L251 HydrophobicContact CB-CD1 3.97Å; V241-L251 HydrophobicContact CG2-CD1 3.98Å; A244-L251 HydrophobicContact CB-CB 3.78Å; A244-L251 HydrophobicContact CB-CD1 4.28Å; A244-L251 HydrophobicContact CB-CD2 4.28Å; A244-L251 HydrophobicContact CB-CG 4.35Å; K248-L251 WeakPolarHBondContact O-CB 3.48Å; K248-L251 PolarHBondContact O-N 2.97Å; K248-L251 VanDerWaalsContact O-N 3.13Å; K249-L251 PolarHBondContact O-N 3.36Å; L251-N253 VanDerWaalsContact C-N 3.33Å; L251-A254 PolarHBondContact O-N 2.74Å; L251-A255 WeakPolarHBondContact O-CB 3.18Å; L251-A255 PolarHBondContact O-N 3.36Å; L251-I268 HydrophobicContact CD2-CD1 4.47Å; L251-I268 HydrophobicContact CD2-CG2 3.8Å; L251-I268 HydrophobicContact CG-CD1 4.28Å; L251-P285 HydrophobicContact CD2-CB 3.56Å; L251-P285 HydrophobicContact CD2-CG 4.2Å
252D91.9Very high89.9Confident85 Ų8549 Ų4946%0.45529%0.293SS..Hα-helixtrans-64.8-39.4176.7-66.3-32.8000110.8K248 K249 A255 A256K248-D252 PolarHBondContact O-N 3.06Å; K249-D252 PolarHBondContact O-N 3.28Å; K249-D252 VanDerWaalsContact O-N 3.16Å; D252-A255 PolarHBondContact O-N 3.15Å; D252-A256 PolarHBondContact O-N 3.41Å
253N92.7Very high90.2Very high68 Ų6849.1 Ų49.136%0.36430%0.295SS..Hα-helixtrans-63.6-46.8173.4-69.4-14.4000111.9K249 L251 A255 A256 D257 D348K249-N253 PolarHBondContact O-N 2.66Å; L251-N253 VanDerWaalsContact C-N 3.33Å; N253-A255 VanDerWaalsContact C-N 3.29Å; N253-A255 PolarHBondContact O-N 3.25Å; N253-A256 WeakPolarHBondContact O-CB 3.34Å; N253-A256 PolarHBondContact O-N 2.7Å; N253-A256 VanDerWaalsContact O-N 3.08Å; N253-D257 PolarHBondContact O-N 2.96Å; N253-D348 PolarHBondContact ND2-OD2 2.91Å
254A92.9Very high90.5Very high0 Ų048.2 Ų48.20%029%0.291CS..Hα-helixtrans-60.4-40.2175.600000111.8M239 V241 L250 L251 A256 D257 L258M239-A254 HydrophobicContact CE-CB 4.07Å; M239-A254 WeakPolarHBondContact CE-O 3.15Å; V241-A254 HydrophobicContact CG2-CB 3.65Å; L250-A254 WeakPolarHBondContact O-CB 3.24Å; L250-A254 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 2.74Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-D257 PolarHBondContact O-N 3.47Å; A254-L258 PolarHBondContact O-N 3.15Å
255A93.9Very high90.9Very high15 Ų1557 Ų5712%0.12433%0.328CS..Hα-helixtrans-65.7-35.9174.400000112L251 D252 N253 L258 A259 P266 I268 C288L251-A255 WeakPolarHBondContact O-CB 3.18Å; L251-A255 PolarHBondContact O-N 3.36Å; D252-A255 PolarHBondContact O-N 3.15Å; N253-A255 VanDerWaalsContact C-N 3.29Å; N253-A255 PolarHBondContact O-N 3.25Å; A255-L258 PolarHBondContact O-N 2.91Å; A255-A259 VanDerWaalsContact O-CB 3.31Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 2.96Å; A255-P266 WeakPolarHBondContact O-CG 3.45Å; A255-I268 HydrophobicContact CB-CD1 3.91Å; A255-C288 HydrophobicContact CB-CB 4.35Å
256A93.4Very high91.6Very high58 Ų5855 Ų5548%0.47932%0.319SS..Hα-helixtrans-65.3-43.4174.300000112D252 N253 A254 A259 A260D252-A256 PolarHBondContact O-N 3.41Å; N253-A256 WeakPolarHBondContact O-CB 3.34Å; N253-A256 PolarHBondContact O-N 2.7Å; N253-A256 VanDerWaalsContact O-N 3.08Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A256-A259 WeakPolarHBondContact O-CB 3.31Å; A256-A259 PolarHBondContact O-N 2.73Å; A256-A260 PolarHBondContact O-N 3.22Å
257D93.3Very high92.1Very high28 Ų2855.6 Ų55.615%0.1531%0.307CS..Hα-helixtrans-59.6-47.7174.3-73.5-10.6000110.8N253 A254 A259 A260 I261 Q336 I342 R351N253-D257 PolarHBondContact O-N 2.96Å; A254-D257 PolarHBondContact O-N 3.47Å; D257-A259 VanDerWaalsContact C-N 3.28Å; D257-A259 PolarHBondContact O-N 3.46Å; D257-A260 WeakPolarHBondContact O-CB 2.94Å; D257-A260 PolarHBondContact O-N 2.87Å; D257-A260 VanDerWaalsContact O-N 3.15Å; D257-I261 WeakPolarHBondContact O-CG1 3.44Å; D257-I261 PolarHBondContact O-N 2.89Å; D257-Q336 PolarHBondContact OD2-NE2 2.79Å; D257-I342 HydrophobicContact CB-CD1 3.73Å; D257-R351 IonicContact OD2-NH1 2.76Å
258L93.7Very high92.6Very high0 Ų055.3 Ų55.30%031%0.305CS..Hα-helixtrans-64.2-35.2178.3-160.458.3000112.2L237 M239 A254 A255 A260 I261 S262 P266 C288 V290 L353L237-L258 HydrophobicContact CB-CD1 3.96Å; L237-L258 HydrophobicContact CD1-CD1 4.34Å; M239-L258 HydrophobicContact CE-CB 3.59Å; M239-L258 HydrophobicContact CE-CD1 4.04Å; M239-L258 HydrophobicContact CE-CD2 4.18Å; M239-L258 HydrophobicContact CE-CG 4.14Å; A254-L258 PolarHBondContact O-N 3.15Å; A255-L258 PolarHBondContact O-N 2.91Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-I261 PolarHBondContact O-N 2.87Å; L258-S262 WeakPolarHBondContact O-CB 3.44Å; L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 2.8Å; L258-P266 HydrophobicContact CB-CG 3.84Å; L258-P266 HydrophobicContact CD2-CB 4.12Å; L258-P266 HydrophobicContact CD2-CG 4.22Å; L258-P266 HydrophobicContact CG-CG 4.18Å; L258-C288 HydrophobicContact CD2-CB 4.45Å; L258-V290 HydrophobicContact CD2-CB 4.46Å; L258-V290 HydrophobicContact CD2-CG2 4.04Å; L258-V290 HydrophobicContact CG-CG2 4.15Å; L258-L353 HydrophobicContact CD1-CD1 3.68Å
259A94.2Very high93Very high33 Ų3350.6 Ų50.627%0.27329%0.288SS..Hα-helixtrans-64.8-40.9174.900000111.4A255 A256 D257 G263 Q264 P266A255-A259 VanDerWaalsContact O-CB 3.31Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 2.96Å; A256-A259 WeakPolarHBondContact O-CB 3.31Å; A256-A259 PolarHBondContact O-N 2.73Å; D257-A259 VanDerWaalsContact C-N 3.28Å; D257-A259 PolarHBondContact O-N 3.46Å; A259-G263 WeakPolarHBondContact O-CA 3.29Å; A259-G263 PolarHBondContact O-N 3.42Å; A259-Q264 WeakPolarHBondContact CA-O 3.39Å; A259-P266 HydrophobicContact CB-CG 4.16Å
260A91.9Very high93.1Very high49 Ų4950.6 Ų50.641%0.40529%0.288SS..Hα-helixtrans-64.5-44.8175.800000111.6A256 D257 L258 E341 I342A256-A260 PolarHBondContact O-N 3.22Å; D257-A260 WeakPolarHBondContact O-CB 2.94Å; D257-A260 PolarHBondContact O-N 2.87Å; D257-A260 VanDerWaalsContact O-N 3.15Å; L258-A260 VanDerWaalsContact C-N 3.35Å; A260-E341 HydrophobicContact CB-CB 4.4Å; A260-I342 HydrophobicContact CB-CD1 4.39Å
261I93Very high93.2Very high2 Ų249.8 Ų49.81%0.0129%0.285CS..Hα-helixtrans-65.5-41.7178.3-65.2166.6000111.7L237 D257 L258 F300 R303 Q336 F339 I342L237-I261 HydrophobicContact CD1-CG2 4.46Å; D257-I261 WeakPolarHBondContact O-CG1 3.44Å; D257-I261 PolarHBondContact O-N 2.89Å; L258-I261 PolarHBondContact O-N 2.87Å; I261-F300 HydrophobicContact CG2-CD2 4.29Å; I261-F300 HydrophobicContact CG2-CE2 3.81Å; I261-R303 PolarHBondContact O-NH1 2.93Å; I261-R303 PolarHBondContact O-NH2 3Å; I261-Q336 HydrophobicContact CD1-CB 4.31Å; I261-F339 HydrophobicContact CD1-CB 4.31Å; I261-F339 HydrophobicContact CD1-CD2 3.62Å; I261-F339 HydrophobicContact CD1-CE2 4.24Å; I261-F339 HydrophobicContact CD1-CG 4.12Å; I261-F339 HydrophobicContact CG1-CB 3.94Å; I261-F339 HydrophobicContact CG1-CD2 4.05Å; I261-F339 HydrophobicContact CG1-CG 4.02Å; I261-F339 HydrophobicContact CG2-CD1 3.96Å; I261-F339 HydrophobicContact CG2-CD2 4.1Å; I261-F339 HydrophobicContact CG2-CE1 4.1Å; I261-F339 HydrophobicContact CG2-CE2 4.27Å; I261-F339 HydrophobicContact CG2-CG 3.94Å; I261-F339 HydrophobicContact CG2-CZ 4.26Å; I261-I342 HydrophobicContact CD1-CD1 3.97Å; I261-I342 HydrophobicContact CD1-CG1 3.9Å; I261-I342 HydrophobicContact CG1-CD1 3.8Å; I261-I342 HydrophobicContact CG1-CG1 3.83Å
262S92.4Very high93.3Very high9 Ų960.2 Ų60.26%0.06332%0.324CS..Hα-helixtrans-96-14.5-169.867.80000114.6L258 Q264L258-S262 WeakPolarHBondContact O-CB 3.44Å; L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 2.8Å; S262-Q264 PolarHBondContact O-N 2.89Å; S262-Q264 PolarHBondContact OG-N 2.87Å; S262-Q264 PolarHBondContact OG-O 2.95Å
263G89.9Confident93.4Very high52 Ų5264 Ų6454%0.53634%0.337SS..SBendtrans6317.6-171.600000113.5A259 R296A259-G263 WeakPolarHBondContact O-CA 3.29Å; A259-G263 PolarHBondContact O-N 3.42Å; G263-R296 PolarHBondContact O-NH2 3.08Å
264Q91.8Very high93.4Very high63 Ų6364.5 Ų64.529%0.29435%0.345SS..SBendtrans-138.2145.8-173.9-177.1165.2-42.900111A259 S262 P266 V290 T291A259-Q264 WeakPolarHBondContact CA-O 3.39Å; S262-Q264 PolarHBondContact O-N 2.89Å; S262-Q264 PolarHBondContact OG-N 2.87Å; S262-Q264 PolarHBondContact OG-O 2.95Å; Q264-P266 WeakPolarHBondContact O-CD 3.35Å; Q264-V290 HydrophobicContact CB-CG1 4.09Å; Q264-V290 HydrophobicContact CG-CG1 4.24Å; Q264-T291 PolarHBondContact NE2-O 3.48Å
265K93.1Very high93.4Very high192 Ų19267.6 Ų67.684%0.83536%0.364SS*.PPolyproline II helixtrans-64.7120.7175.2-171178.3-178.31780110.6
266P96.3Very high93.2Very high20 Ų2071.4 Ų71.413%0.1340%0.396CS..PPolyproline II helixtrans-71.8152.3176.3-21.736.4000113.9A255 L258 A259 Q264 C288 V290A255-P266 WeakPolarHBondContact O-CG 3.45Å; L258-P266 HydrophobicContact CB-CG 3.84Å; L258-P266 HydrophobicContact CD2-CB 4.12Å; L258-P266 HydrophobicContact CD2-CG 4.22Å; L258-P266 HydrophobicContact CG-CG 4.18Å; A259-P266 HydrophobicContact CB-CG 4.16Å; Q264-P266 WeakPolarHBondContact O-CD 3.35Å; P266-C288 HydrophobicContact CB-CB 4.23Å; P266-V290 VanDerWaalsContact CA-CG2 3.46Å; P266-V290 HydrophobicContact CB-CG2 3.66Å; P266-V290 HydrophobicContact CG-CG2 3.69Å
267L96.1Very high93.1Very high113 Ų11372.3 Ų72.359%0.59241%0.411SS*.EExtended strand (participates in β ladder)trans-92125.9168.8-178.871.3000109.2C288 K289L267-C288 CarbonylContact O-C 3.47Å; L267-C288 VanDerWaalsContact O-CA 3.29Å; L267-C288 WeakPolarHBondContact O-CA 3.15Å; L267-K289 HydrophobicContact CB-CG 4.45Å; L267-K289 PolarHBondContact N-O 2.79Å; L267-K289 PolarHBondContact O-N 2.87Å
268I95.5Very high92.9Very high59 Ų5978.1 Ų78.130%0.30344%0.435SS..EExtended strand (participates in β ladder)trans-73.9125.2172.3-57.5-55.6000109.9L251 A255 P285 G287 C288L251-I268 HydrophobicContact CD2-CD1 4.47Å; L251-I268 HydrophobicContact CD2-CG2 3.8Å; L251-I268 HydrophobicContact CG-CD1 4.28Å; A255-I268 HydrophobicContact CB-CD1 3.91Å; I268-P285 HydrophobicContact CG2-CB 3.73Å; I268-G287 CarbonylContact C-O 3.59Å; I268-G287 WeakPolarHBondContact CA-O 3.41Å; I268-C288 HydrophobicContact CD1-CB 3.96Å
269T94.6Very high92.7Very high38 Ų3886.6 Ų86.623%0.23347%0.472CS..EExtended strand (participates in β ladder)trans-90130.8178.557.90000110.6I286 G287 K289T269-I286 PolarHBondContact O-N 2.97Å; T269-G287 PolarHBondContact N-O 3.36Å; T269-G287 PolarHBondContact O-N 2.92Å; T269-G287 VanDerWaalsContact OG1-CA 3.25Å; T269-G287 WeakPolarHBondContact OG1-CA 3.29Å; T269-G287 PolarHBondContact OG1-N 2.81Å; T269-G287 PolarHBondContact OG1-O 2.82Å; T269-K289 HydrophobicContact CG2-CB 4.34Å; T269-K289 HydrophobicContact CG2-CD 3.92Å; T269-K289 HydrophobicContact CG2-CG 3.82Å
270K93.2Very high92.5Very high148 Ų14886.4 Ų86.464%0.64347%0.466SS*.EExtended strand (participates in β ladder)trans-106.1149179.5-62.7-180-179.3-178.20111.2R272 Y284K270-R272 PolarHBondContact O-N 2.78Å; K270-Y284 CarbonylContact C-O 3.59Å; K270-Y284 VanDerWaalsContact CA-O 3.22Å; K270-Y284 WeakPolarHBondContact CA-O 3.36Å
271A92.4Very high92.4Very high11 Ų1192 Ų929%0.09148%0.476CS..  trans-59128.7174.100000111.1I280 R281 G283 Y284 I286A271-I280 HydrophobicContact CB-CG2 3.49Å; A271-I280 VanDerWaalsContact CB-CG2 3.49Å; A271-R281 VanDerWaalsContact CB-O 3.27Å; A271-R281 WeakPolarHBondContact CB-O 3.41Å; A271-G283 PolarHBondContact O-N 3.33Å; A271-Y284 PolarHBondContact N-O 2.81Å; A271-I286 HydrophobicContact CB-CD1 3.49Å; A271-I286 VanDerWaalsContact CB-CD1 3.49Å
272R93.6Very high92.4Very high221 Ų22198.4 Ų98.483%0.83451%0.506SS*.SBendtrans-86.4-27.7174.6-68.6-175.1177-166-2.3113.4K270 Q282K270-R272 PolarHBondContact O-N 2.78Å; R272-Q282 WeakPolarHBondContact O-CG 3.48Å
273K93.8Very high92.4Very high166 Ų16699.8 Ų99.872%0.72252%0.522SS*.SBendtrans-133.2146.6-177.4-63.8-174.5178.5-1760109.5
274S93.4Very high92.4Very high77 Ų77101.7 Ų101.754%0.53851%0.514SS..  trans-78130.1168.7-60.70000109.1I280 Q282S274-I280 CarbonylContact C-O 3.45Å; S274-I280 VanDerWaalsContact CA-O 3.28Å; S274-I280 WeakPolarHBondContact CA-O 3.23Å; S274-Q282 PolarHBondContact OG-N 2.81Å
275V91.8Very high92.5Very high65 Ų65100.7 Ų100.739%0.39451%0.513SS..BIsolated β-bridgetrans-132.6112.9178.2-174.30000108.5G277 F278 K279 I280V275-G277 PolarHBondContact O-N 3.33Å; V275-F278 HydrophobicContact CB-CD2 4.22Å; V275-F278 HydrophobicContact CG1-CD2 3.69Å; V275-F278 HydrophobicContact CG1-CE2 4.31Å; V275-F278 PolarHBondContact O-N 2.78Å; V275-K279 PolarHBondContact O-N 3.32Å; V275-I280 PolarHBondContact N-O 2.76Å; V275-I280 PolarHBondContact O-N 3.05Å; V275-I280 VanDerWaalsContact O-N 3.13Å
276A90.5Very high92.5Very high96 Ų9693.3 Ų93.379%0.79348%0.482SS*.G310 helixtrans-61.6-40.9-175.100000112.7F278 K279A276-F278 PolarHBondContact O-N 2.76Å; A276-K279 PolarHBondContact O-N 3.08Å
277G91.2Very high92.4Very high76 Ų7692.4 Ų92.478%0.78448%0.476SS*.G310 helixtrans-59.8-29-178.900000114.4V275V275-G277 PolarHBondContact O-N 3.33Å
278F87.8Confident92.4Very high150 Ų15087 Ų8766%0.65845%0.448SS*.G310 helixtrans-99.93.5175.8-62.9-71.7000113.2V275 A276 I280V275-F278 HydrophobicContact CB-CD2 4.22Å; V275-F278 HydrophobicContact CG1-CD2 3.69Å; V275-F278 HydrophobicContact CG1-CE2 4.31Å; V275-F278 PolarHBondContact O-N 2.78Å; A276-F278 PolarHBondContact O-N 2.76Å; F278-I280 HydrophobicContact CB-CB 4.4Å; F278-I280 HydrophobicContact CB-CD1 3.55Å; F278-I280 HydrophobicContact CB-CG1 3.85Å; F278-I280 HydrophobicContact CG-CD1 4.34Å; F278-I280 PolarHBondContact O-N 3.35Å
279K89.4Confident92.4Very high179 Ų17988.2 Ų88.278%0.77845%0.451SS*.THydrogen-bonded Turntrans53.730.3-172.6-55177.8-179.3178.40112.9V275 A276V275-K279 PolarHBondContact O-N 3.32Å; A276-K279 PolarHBondContact O-N 3.08Å
280I90.5Very high92.6Very high29 Ų2986.6 Ų86.615%0.14944%0.441CS..BIsolated β-bridgetrans-95.5133.6-177.8-71.5167.7000109.9I245 A271 S274 V275 F278 I286I245-I280 HydrophobicContact CD1-CD1 4.15Å; I245-I280 HydrophobicContact CD1-CG1 3.45Å; I245-I280 VanDerWaalsContact CD1-CG1 3.45Å; I245-I280 HydrophobicContact CG1-CG1 4.4Å; A271-I280 HydrophobicContact CB-CG2 3.49Å; A271-I280 VanDerWaalsContact CB-CG2 3.49Å; S274-I280 CarbonylContact C-O 3.45Å; S274-I280 VanDerWaalsContact CA-O 3.28Å; S274-I280 WeakPolarHBondContact CA-O 3.23Å; V275-I280 PolarHBondContact N-O 2.76Å; V275-I280 PolarHBondContact O-N 3.05Å; V275-I280 VanDerWaalsContact O-N 3.13Å; F278-I280 HydrophobicContact CB-CB 4.4Å; F278-I280 HydrophobicContact CB-CD1 3.55Å; F278-I280 HydrophobicContact CB-CG1 3.85Å; F278-I280 HydrophobicContact CG-CD1 4.34Å; F278-I280 PolarHBondContact O-N 3.35Å; I280-I286 HydrophobicContact CD1-CD1 3.75Å; I280-I286 HydrophobicContact CD1-CG1 4.47Å; I280-I286 HydrophobicContact CG1-CD1 4.13Å; I280-I286 HydrophobicContact CG2-CD1 3.72Å
281R91.1Very high92.8Very high165 Ų16581.2 Ų81.262%0.62342%0.421SS*.  trans-105.8147.6168.9-63.8-178.7-178.8-177.5-0.6110.7A271 G283 Y284A271-R281 VanDerWaalsContact CB-O 3.27Å; A271-R281 WeakPolarHBondContact CB-O 3.41Å; R281-G283 PolarHBondContact O-N 2.89Å; R281-Y284 HydrophobicContact CB-CD1 3.95Å; R281-Y284 HydrophobicContact CB-CE1 3.91Å; R281-Y284 HydrophobicContact CB-CG 4.31Å; R281-Y284 WeakPolarHBondContact O-CB 3.31Å; R281-Y284 PolarHBondContact O-N 2.82Å
282Q92.7Very high93Very high137 Ų13780.7 Ų80.764%0.6442%0.416SS*.THydrogen-bonded Turntrans-52.9136.3174.1-177.3176.1-0.300110.9R272 S274 Y284R272-Q282 WeakPolarHBondContact O-CG 3.48Å; S274-Q282 PolarHBondContact OG-N 2.81Å; Q282-Y284 VanDerWaalsContact C-N 3.34Å
283G91.1Very high93.1Very high38 Ų3876.7 Ų76.739%0.39240%0.401SS..THydrogen-bonded Turntrans87.4-10.4-178.300000115.4A271 R281A271-G283 PolarHBondContact O-N 3.33Å; R281-G283 PolarHBondContact O-N 2.89Å
284Y91.5Very high93Very high93 Ų9370.9 Ų70.937%0.36539%0.388SS..  trans-67137.4179.4-8727.4000112.1I245 K270 A271 R281 Q282 I286I245-Y284 HydrophobicContact CG2-CD2 4.49Å; K270-Y284 CarbonylContact C-O 3.59Å; K270-Y284 VanDerWaalsContact CA-O 3.22Å; K270-Y284 WeakPolarHBondContact CA-O 3.36Å; A271-Y284 PolarHBondContact N-O 2.81Å; R281-Y284 HydrophobicContact CB-CD1 3.95Å; R281-Y284 HydrophobicContact CB-CE1 3.91Å; R281-Y284 HydrophobicContact CB-CG 4.31Å; R281-Y284 WeakPolarHBondContact O-CB 3.31Å; R281-Y284 PolarHBondContact O-N 2.82Å; Q282-Y284 VanDerWaalsContact C-N 3.34Å; Y284-I286 PolarHBondContact O-N 2.76Å
285P92.7Very high92.7Very high42 Ų4271.9 Ų71.927%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-76.2122.917634.8-35.3000110L251 I268L251-P285 HydrophobicContact CD2-CB 3.56Å; L251-P285 HydrophobicContact CD2-CG 4.2Å; I268-P285 HydrophobicContact CG2-CB 3.73Å
286I92.8Very high92.5Very high37 Ų3774.5 Ų74.519%0.1939%0.387CS..EExtended strand (participates in β ladder)trans-120.6-25.6-172.8-66.5161.7000112.2V241 T269 A271 I280 Y284V241-I286 CarbonylContact C-O 3.54Å; V241-I286 VanDerWaalsContact CA-O 3.28Å; V241-I286 WeakPolarHBondContact CA-O 3.37Å; V241-I286 WeakPolarHBondContact CB-O 3.3Å; V241-I286 PolarHBondContact N-O 2.85Å; T269-I286 PolarHBondContact O-N 2.97Å; A271-I286 HydrophobicContact CB-CD1 3.49Å; A271-I286 VanDerWaalsContact CB-CD1 3.49Å; I280-I286 HydrophobicContact CD1-CD1 3.75Å; I280-I286 HydrophobicContact CD1-CG1 4.47Å; I280-I286 HydrophobicContact CG1-CD1 4.13Å; I280-I286 HydrophobicContact CG2-CD1 3.72Å; Y284-I286 PolarHBondContact O-N 2.76Å
287G94.5Very high92.7Very high0 Ų070 Ų700%035%0.35CS..EExtended strand (participates in β ladder)trans-159.2-173.6-174.200000112.7M239 I268 T269M239-G287 WeakPolarHBondContact O-CA 3.42Å; I268-G287 CarbonylContact C-O 3.59Å; I268-G287 WeakPolarHBondContact CA-O 3.41Å; T269-G287 PolarHBondContact N-O 3.36Å; T269-G287 PolarHBondContact O-N 2.92Å; T269-G287 VanDerWaalsContact OG1-CA 3.25Å; T269-G287 WeakPolarHBondContact OG1-CA 3.29Å; T269-G287 PolarHBondContact OG1-N 2.81Å; T269-G287 PolarHBondContact OG1-O 2.82Å
288C95.5Very high92.8Very high0 Ų067.3 Ų67.30%032%0.316CS..EExtended strand (participates in β ladder)trans-141.8151.1175.663.10000110.5N238 M239 A255 L258 P266 L267 I268N238-C288 PolarHBondContact OD1-O 2.91Å; M239-C288 PolarHBondContact N-O 2.84Å; M239-C288 PolarHBondContact O-N 3.11Å; A255-C288 HydrophobicContact CB-CB 4.35Å; L258-C288 HydrophobicContact CD2-CB 4.45Å; P266-C288 HydrophobicContact CB-CB 4.23Å; L267-C288 CarbonylContact O-C 3.47Å; L267-C288 VanDerWaalsContact O-CA 3.29Å; L267-C288 WeakPolarHBondContact O-CA 3.15Å; I268-C288 HydrophobicContact CD1-CB 3.96Å
289K97.3Very high92.9Very high84 Ų8465.1 Ų65.137%0.36531%0.308SS..EExtended strand (participates in β ladder)trans-143.5154.8176.871.1176.1-174.8171.90112.5L237 N238 L267 T269L237-K289 CarbonylContact O-C 3.55Å; L237-K289 WeakPolarHBondContact O-CA 3.11Å; L237-K289 WeakPolarHBondContact O-CB 3.35Å; N238-K289 HydrophobicContact CB-CB 4.28Å; L267-K289 HydrophobicContact CB-CG 4.45Å; L267-K289 PolarHBondContact N-O 2.79Å; L267-K289 PolarHBondContact O-N 2.87Å; T269-K289 HydrophobicContact CG2-CB 4.34Å; T269-K289 HydrophobicContact CG2-CD 3.92Å; T269-K289 HydrophobicContact CG2-CG 3.82Å
290V97.9Very high93.1Very high4 Ų456.7 Ų56.72%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-132.8140.4170.6170.50000108.5T236 L237 L258 Q264 P266 L292T236-V290 WeakPolarHBondContact CA-O 3.44Å; L237-V290 PolarHBondContact N-O 2.88Å; L237-V290 PolarHBondContact O-N 2.97Å; L258-V290 HydrophobicContact CD2-CB 4.46Å; L258-V290 HydrophobicContact CD2-CG2 4.04Å; L258-V290 HydrophobicContact CG-CG2 4.15Å; Q264-V290 HydrophobicContact CB-CG1 4.09Å; Q264-V290 HydrophobicContact CG-CG1 4.24Å; P266-V290 VanDerWaalsContact CA-CG2 3.46Å; P266-V290 HydrophobicContact CB-CG2 3.66Å; P266-V290 HydrophobicContact CG-CG2 3.69Å; V290-L292 HydrophobicContact CG1-CD2 3.7Å; V290-L292 HydrophobicContact CG1-CG 4.06Å
291T97.9Very high93.2Very high36 Ų3655.3 Ų55.322%0.22126%0.264CS..EExtended strand (participates in β ladder)trans-112.8118167.4-55.40000108.8K234 Q264 R293K234-T291 HydrophobicContact CB-CG2 4.01Å; K234-T291 HydrophobicContact CD-CG2 3.99Å; K234-T291 HydrophobicContact CG-CG2 4.36Å; Q264-T291 PolarHBondContact NE2-O 3.48Å; T291-R293 VanDerWaalsContact CG2-NH1 3.25Å
292L96.7Very high93.2Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-92136.6177.1-61.3178.5000109.9K234 I235 L237 V290 R296 M297 F300K234-L292 WeakPolarHBondContact CA-O 3.31Å; K234-L292 WeakPolarHBondContact CB-O 3.31Å; I235-L292 PolarHBondContact N-O 3.39Å; I235-L292 VanDerWaalsContact N-O 3.07Å; I235-L292 PolarHBondContact O-N 2.94Å; L237-L292 HydrophobicContact CD1-CD1 3.95Å; L237-L292 HydrophobicContact CG-CD1 4.5Å; V290-L292 HydrophobicContact CG1-CD2 3.7Å; V290-L292 HydrophobicContact CG1-CG 4.06Å; L292-R296 HydrophobicContact CD2-CB 4.04Å; L292-M297 HydrophobicContact CB-CB 4.04Å; L292-F300 HydrophobicContact CD1-CB 3.44Å; L292-F300 VanDerWaalsContact CD1-CB 3.44Å; L292-F300 HydrophobicContact CD1-CD1 4.09Å; L292-F300 HydrophobicContact CD1-CD2 3.87Å; L292-F300 HydrophobicContact CD1-CG 3.51Å
293R95.5Very high93Very high137 Ų13744.4 Ų44.452%0.51722%0.219SC..  trans-140.3161.2174.7-69.9-174.3-178.481.5-5109.9K234 T291K234-R293 HydrophobicContact CB-CG 3.85Å; T291-R293 VanDerWaalsContact CG2-NH1 3.25Å
294G90.4Very high93Very high43 Ų4342.6 Ų42.644%0.44320%0.2SC..THydrogen-bonded Turntrans59.1-137176.900000111.9R296 M297 W298G294-R296 PolarHBondContact O-N 2.92Å; G294-M297 WeakPolarHBondContact O-CB 3.39Å; G294-M297 PolarHBondContact O-N 2.54Å; G294-M297 VanDerWaalsContact O-N 3.17Å; G294-W298 PolarHBondContact O-N 2.95Å
295E87.6Confident93Very high99 Ų9939 Ų3946%0.46319%0.187SC..Hα-helixtrans-56.5-47.3-174.3-170.6178.1-170.300113.5M297 W298 E299E295-M297 PolarHBondContact O-N 2.9Å; E295-W298 PolarHBondContact O-N 2.82Å; E295-W298 VanDerWaalsContact O-N 3.1Å; E295-E299 PolarHBondContact O-N 2.93Å
296R88.7Confident92.7Very high119 Ų11940.9 Ų40.945%0.44920%0.198SC..Hα-helixtrans-62-31.8-179.6-66.5-176.2174.1169.3-4.3113.2G263 L292 G294 F300G263-R296 PolarHBondContact O-NH2 3.08Å; L292-R296 HydrophobicContact CD2-CB 4.04Å; G294-R296 PolarHBondContact O-N 2.92Å; R296-F300 VanDerWaalsContact O-CB 3.27Å; R296-F300 WeakPolarHBondContact O-CB 3.37Å; R296-F300 PolarHBondContact O-N 3.39Å
297M94.6Very high92.3Very high3 Ų341.2 Ų41.22%0.01520%0.2CC..Hα-helixtrans-66.2-47175.6178.3-163.877.200110.5V232 K234 I235 L292 G294 E295 F300 F301V232-M297 HydrophobicContact CB-CE 4.09Å; V232-M297 HydrophobicContact CB-SD 4.35Å; V232-M297 HydrophobicContact CG1-CE 4.05Å; V232-M297 HydrophobicContact CG1-CG 4.46Å; V232-M297 HydrophobicContact CG1-SD 3.68Å; V232-M297 WeakPolarHBondContact O-CE 3.34Å; K234-M297 VanDerWaalsContact CA-SD 3.51Å; I235-M297 HydrophobicContact CB-CG 4.13Å; I235-M297 HydrophobicContact CD1-CG 3.76Å; I235-M297 HydrophobicContact CG1-CG 3.7Å; I235-M297 HydrophobicContact CG1-SD 4.47Å; L292-M297 HydrophobicContact CB-CB 4.04Å; G294-M297 WeakPolarHBondContact O-CB 3.39Å; G294-M297 PolarHBondContact O-N 2.54Å; G294-M297 VanDerWaalsContact O-N 3.17Å; E295-M297 PolarHBondContact O-N 2.9Å; M297-F300 PolarHBondContact O-N 2.9Å; M297-F301 VanDerWaalsContact O-CB 3.27Å; M297-F301 WeakPolarHBondContact O-CB 3.48Å; M297-F301 PolarHBondContact O-N 3.48Å
298W92.7Very high92Very high19 Ų1941.2 Ų41.27%0.07220%0.2CC..Hα-helixtrans-67.2-40.9-179.3-69.3115.3000112.5A203 L205 H206 Y209 G294 E295 F301 E302 F374A203-W298 HydrophobicContact CB-CB 3.17Å; A203-W298 HydrophobicContact CB-CG 4.28Å; L205-W298 HydrophobicContact CB-CE3 3.95Å; L205-W298 HydrophobicContact CB-CZ3 4.36Å; H206-W298 HydrophobicContact CB-CD2 3.91Å; H206-W298 HydrophobicContact CB-CG 3.91Å; H206-W298 AromaticContact CD2-CE2 3.55Å; H206-W298 AromaticContact CD2-CZ2 3.77Å; H206-W298 AromaticContact CD2-NE1 3.28Å; H206-W298 PolarHBondContact CD2-NE1 3.29Å; H206-W298 VanDerWaalsContact CD2-NE1 3.28Å; H206-W298 AromaticContact CG-NE1 3.78Å; Y209-W298 HydrophobicContact CD1-CH2 4.43Å; Y209-W298 HydrophobicContact CD2-CH2 4.5Å; Y209-W298 HydrophobicContact CG-CH2 4.05Å; G294-W298 PolarHBondContact O-N 2.95Å; E295-W298 PolarHBondContact O-N 2.82Å; E295-W298 VanDerWaalsContact O-N 3.1Å; W298-F301 HydrophobicContact CE3-CD1 4.32Å; W298-F301 HydrophobicContact CZ3-CD1 4.31Å; W298-F301 PolarHBondContact O-N 3.07Å; W298-E302 WeakPolarHBondContact O-CB 3.15Å; W298-E302 PolarHBondContact O-N 3.12Å; W298-F374 HydrophobicContact CH2-CE1 4.5Å; W298-F374 AromaticContact CH2-CZ 3.83Å; W298-F374 HydrophobicContact CH2-CZ 3.83Å; W298-F374 AromaticContact CZ3-CE1 3.95Å; W298-F374 HydrophobicContact CZ3-CE1 3.95Å; W298-F374 HydrophobicContact CZ3-CE2 4.37Å; W298-F374 AromaticContact CZ3-CZ 3.62Å; W298-F374 HydrophobicContact CZ3-CZ 3.62Å
299E89.5Confident91.7Very high104 Ų10441.2 Ų41.249%0.48620%0.2SC..Hα-helixtrans-61.9-44.7174.4-175.8-175.5-175.500111.4E295 F301 R303E295-E299 PolarHBondContact O-N 2.93Å; E299-F301 VanDerWaalsContact C-N 3.33Å; E299-F301 PolarHBondContact O-N 3.27Å; E299-R303 WeakPolarHBondContact O-CB 3.33Å; E299-R303 PolarHBondContact O-N 2.96Å; E299-R303 VanDerWaalsContact O-N 3.08Å
300F93.6Very high91.1Very high2 Ų241 Ų411%0.00921%0.207CC..Hα-helixtrans-60.7-43.9174.2174.7-89.2000111.6I235 L237 I261 L292 R296 M297 R303 L304 F339 I355I235-F300 HydrophobicContact CD1-CD1 3.98Å; I235-F300 HydrophobicContact CD1-CE1 4.49Å; I235-F300 HydrophobicContact CG2-CD1 3.93Å; I235-F300 HydrophobicContact CG2-CE1 3.75Å; L237-F300 HydrophobicContact CD1-CD2 3.92Å; L237-F300 HydrophobicContact CD1-CE2 3.55Å; L237-F300 HydrophobicContact CD1-CZ 3.91Å; L237-F300 HydrophobicContact CD2-CE1 3.65Å; L237-F300 HydrophobicContact CD2-CE2 3.88Å; L237-F300 HydrophobicContact CD2-CZ 3.3Å; L237-F300 HydrophobicContact CG-CE2 4.35Å; L237-F300 HydrophobicContact CG-CZ 4.22Å; I261-F300 HydrophobicContact CG2-CD2 4.29Å; I261-F300 HydrophobicContact CG2-CE2 3.81Å; L292-F300 HydrophobicContact CD1-CB 3.44Å; L292-F300 VanDerWaalsContact CD1-CB 3.44Å; L292-F300 HydrophobicContact CD1-CD1 4.09Å; L292-F300 HydrophobicContact CD1-CD2 3.87Å; L292-F300 HydrophobicContact CD1-CG 3.51Å; R296-F300 VanDerWaalsContact O-CB 3.27Å; R296-F300 WeakPolarHBondContact O-CB 3.37Å; R296-F300 PolarHBondContact O-N 3.39Å; M297-F300 PolarHBondContact O-N 2.9Å; F300-R303 VanDerWaalsContact CD2-NH2 3.27Å; F300-R303 PolarHBondContact O-N 2.88Å; F300-L304 HydrophobicContact CE1-CB 4.25Å; F300-L304 HydrophobicContact CE1-CD2 3.98Å; F300-L304 HydrophobicContact CZ-CD1 4.36Å; F300-L304 VanDerWaalsContact O-CB 3.25Å; F300-L304 WeakPolarHBondContact O-CB 3.05Å; F300-L304 PolarHBondContact O-N 3.22Å; F300-F339 AromaticContact CE2-CE1 3.72Å; F300-F339 HydrophobicContact CE2-CE1 3.72Å; F300-F339 AromaticContact CE2-CZ 3.96Å; F300-F339 HydrophobicContact CE2-CZ 3.96Å; F300-F339 HydrophobicContact CZ-CE1 4.07Å; F300-F339 HydrophobicContact CZ-CZ 4.03Å; F300-I355 HydrophobicContact CE1-CD1 4.48Å; F300-I355 HydrophobicContact CE1-CG2 4.05Å; F300-I355 HydrophobicContact CZ-CD1 3.93Å; F300-I355 HydrophobicContact CZ-CG1 4.44Å; F300-I355 HydrophobicContact CZ-CG2 4.39Å
301F94.1Very high90.6Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-66.7-44.3-177.3-169.5-128.1000112.3L205 V232 I235 M297 W298 E299 R303 L304 I305 I357 L371 F374 F376L205-F301 HydrophobicContact CD2-CD1 3.32Å; L205-F301 HydrophobicContact CD2-CE1 3.64Å; L205-F301 HydrophobicContact CD2-CG 4.34Å; V232-F301 HydrophobicContact CG2-CE1 4.47Å; I235-F301 HydrophobicContact CD1-CB 3.71Å; I235-F301 HydrophobicContact CD1-CD2 3.77Å; I235-F301 HydrophobicContact CD1-CG 3.98Å; M297-F301 VanDerWaalsContact O-CB 3.27Å; M297-F301 WeakPolarHBondContact O-CB 3.48Å; M297-F301 PolarHBondContact O-N 3.48Å; W298-F301 HydrophobicContact CE3-CD1 4.32Å; W298-F301 HydrophobicContact CZ3-CD1 4.31Å; W298-F301 PolarHBondContact O-N 3.07Å; E299-F301 VanDerWaalsContact C-N 3.33Å; E299-F301 PolarHBondContact O-N 3.27Å; F301-R303 PolarHBondContact O-N 3.48Å; F301-L304 WeakPolarHBondContact O-CB 3.33Å; F301-L304 PolarHBondContact O-N 3.45Å; F301-I305 HydrophobicContact CD1-CD1 4.13Å; F301-I305 HydrophobicContact CD2-CD1 4.14Å; F301-I305 HydrophobicContact CE1-CD1 3.72Å; F301-I305 HydrophobicContact CE2-CD1 3.73Å; F301-I305 HydrophobicContact CE2-CG1 4.28Å; F301-I305 HydrophobicContact CG-CD1 4.32Å; F301-I305 HydrophobicContact CZ-CD1 3.51Å; F301-I305 HydrophobicContact CZ-CG1 4.5Å; F301-I305 WeakPolarHBondContact O-CG1 3.4Å; F301-I305 PolarHBondContact O-N 2.95Å; F301-I305 VanDerWaalsContact O-N 3.08Å; F301-I357 HydrophobicContact CD2-CD1 4.33Å; F301-I357 HydrophobicContact CE2-CD1 3.71Å; F301-L371 HydrophobicContact CE2-CD2 4.15Å; F301-L371 HydrophobicContact CZ-CD2 3.66Å; F301-F374 HydrophobicContact CE1-CB 4.05Å; F301-F374 HydrophobicContact CE1-CD1 4.39Å; F301-F374 AromaticContact CE1-CD2 3.7Å; F301-F374 HydrophobicContact CE1-CD2 3.7Å; F301-F374 HydrophobicContact CE1-CE2 4.16Å; F301-F374 AromaticContact CE1-CG 3.81Å; F301-F374 HydrophobicContact CE1-CG 3.81Å; F301-F374 HydrophobicContact CZ-CB 4.38Å; F301-F374 HydrophobicContact CZ-CD2 4.21Å; F301-F374 HydrophobicContact CZ-CG 4.47Å; F301-F376 HydrophobicContact CE2-CD2 4.06Å; F301-F376 HydrophobicContact CE2-CE2 4.04Å; F301-F376 HydrophobicContact CZ-CD2 4.23Å
302E90.4Very high89.9Confident49 Ų4948 Ų4823%0.22923%0.232CC..Hα-helixtrans-57.5-50.9173.4-177.6170.4174.200110.8K204 L205 W298 L304 I305 T306K204-E302 PolarHBondContact N-OE2 3.16Å; L205-E302 HydrophobicContact CD1-CB 3.82Å; L205-E302 HydrophobicContact CD1-CG 3.75Å; W298-E302 WeakPolarHBondContact O-CB 3.15Å; W298-E302 PolarHBondContact O-N 3.12Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.14Å; E302-I305 PolarHBondContact O-N 3.44Å; E302-T306 HydrophobicContact CG-CG2 4.45Å; E302-T306 WeakPolarHBondContact O-CB 3.35Å; E302-T306 WeakPolarHBondContact O-CG2 3.5Å; E302-T306 PolarHBondContact O-N 2.83Å; E302-T306 PolarHBondContact O-OG1 2.77Å
303R88.8Confident89.1Confident24 Ų2457 Ų579%0.09127%0.266CS..Hα-helixtrans-63.9-34.8178.5175.817247.297.47.3112.5I261 E299 F300 F301 I307 A308 E341I261-R303 PolarHBondContact O-NH1 2.93Å; I261-R303 PolarHBondContact O-NH2 3Å; E299-R303 WeakPolarHBondContact O-CB 3.33Å; E299-R303 PolarHBondContact O-N 2.96Å; E299-R303 VanDerWaalsContact O-N 3.08Å; F300-R303 VanDerWaalsContact CD2-NH2 3.27Å; F300-R303 PolarHBondContact O-N 2.88Å; F301-R303 PolarHBondContact O-N 3.48Å; R303-I307 HydrophobicContact CG-CB 4.33Å; R303-I307 HydrophobicContact CG-CD1 4.3Å; R303-I307 WeakPolarHBondContact O-CA 3.43Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 PolarHBondContact O-N 3.18Å; R303-A308 PolarHBondContact O-N 3.31Å; R303-E341 WeakPolarHBondContact CD-OE1 3.31Å; R303-E341 IonicContact CZ-OE1 3.85Å; R303-E341 IonicContact CZ-OE2 3.5Å; R303-E341 IonicContact NE-OE1 3.62Å; R303-E341 PolarHBondContact NE-OE1 3.41Å; R303-E341 IonicContact NE-OE2 3.28Å; R303-E341 VanDerWaalsContact NH1-CD 3.25Å; R303-E341 IonicContact NH1-OE1 2.72Å; R303-E341 PolarHBondContact NH1-OE1 2.94Å; R303-E341 IonicContact NH1-OE2 3.74Å; R303-E341 PolarHBondContact NH1-OE2 3.36Å
304L91.5Very high88.5Confident0 Ų057 Ų570%028%0.276CS..Iπ-helixtrans-60.8-53.4177179.767.3000110.1F300 F301 E302 A308 V309 M331 F339 I355F300-L304 HydrophobicContact CE1-CB 4.25Å; F300-L304 HydrophobicContact CE1-CD2 3.98Å; F300-L304 HydrophobicContact CZ-CD1 4.36Å; F300-L304 VanDerWaalsContact O-CB 3.25Å; F300-L304 WeakPolarHBondContact O-CB 3.05Å; F300-L304 PolarHBondContact O-N 3.22Å; F301-L304 WeakPolarHBondContact O-CB 3.33Å; F301-L304 PolarHBondContact O-N 3.45Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.14Å; L304-A308 HydrophobicContact CD1-CB 4.23Å; L304-A308 PolarHBondContact O-N 3.15Å; L304-V309 HydrophobicContact CD1-CG2 3.9Å; L304-V309 HydrophobicContact CG-CG2 4.01Å; L304-V309 WeakPolarHBondContact O-CB 3.49Å; L304-V309 VanDerWaalsContact O-CG2 3.29Å; L304-V309 WeakPolarHBondContact O-CG2 3.15Å; L304-V309 PolarHBondContact O-N 2.84Å; L304-M331 HydrophobicContact CD1-CE 4.35Å; L304-M331 HydrophobicContact CD2-SD 4.42Å; L304-F339 HydrophobicContact CD1-CE1 4.16Å; L304-F339 HydrophobicContact CD1-CZ 4.12Å; L304-I355 HydrophobicContact CD1-CD1 3.55Å; L304-I355 HydrophobicContact CD2-CD1 4.17Å; L304-I355 HydrophobicContact CD2-CG2 4.19Å
305I89.7Confident88.2Confident17 Ų1758 Ų589%0.08727%0.268CS..Iπ-helixtrans-68.5-48.4-176.7-64.8166.3000111.2L205 F301 E302 P310 F374 F376L205-I305 HydrophobicContact CD2-CD1 4.36Å; F301-I305 HydrophobicContact CD1-CD1 4.13Å; F301-I305 HydrophobicContact CD2-CD1 4.14Å; F301-I305 HydrophobicContact CE1-CD1 3.72Å; F301-I305 HydrophobicContact CE2-CD1 3.73Å; F301-I305 HydrophobicContact CE2-CG1 4.28Å; F301-I305 HydrophobicContact CG-CD1 4.32Å; F301-I305 HydrophobicContact CZ-CD1 3.51Å; F301-I305 HydrophobicContact CZ-CG1 4.5Å; F301-I305 WeakPolarHBondContact O-CG1 3.4Å; F301-I305 PolarHBondContact O-N 2.95Å; F301-I305 VanDerWaalsContact O-N 3.08Å; E302-I305 PolarHBondContact O-N 3.44Å; I305-P310 VanDerWaalsContact O-CD 3.25Å; I305-P310 WeakPolarHBondContact O-CD 3.22Å; I305-P310 WeakPolarHBondContact O-CG 3.08Å; I305-F374 HydrophobicContact CD1-CB 4.11Å; I305-F376 HydrophobicContact CD1-CD2 4.01Å; I305-F376 HydrophobicContact CG1-CD2 3.87Å; I305-F376 HydrophobicContact CG1-CE2 4.38Å
306T86.6Confident88.1Confident82 Ų8262.3 Ų62.350%0.50328%0.281SS..Iπ-helixtrans-84-27.4-168.958.70000113.9E302E302-T306 HydrophobicContact CG-CG2 4.45Å; E302-T306 WeakPolarHBondContact O-CB 3.35Å; E302-T306 WeakPolarHBondContact O-CG2 3.5Å; E302-T306 PolarHBondContact O-N 2.83Å; E302-T306 PolarHBondContact O-OG1 2.77Å
307I85.4Confident88.1Confident43 Ų4357.6 Ų57.622%0.22127%0.269CS..Iπ-helixtrans-122.8-53.4-171.8-56.9173000111.9R303 R311 P340R303-I307 HydrophobicContact CG-CB 4.33Å; R303-I307 HydrophobicContact CG-CD1 4.3Å; R303-I307 WeakPolarHBondContact O-CA 3.43Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 PolarHBondContact O-N 3.18Å; I307-R311 WeakPolarHBondContact O-CD 3.02Å; I307-R311 VanDerWaalsContact O-CG 3.25Å; I307-R311 WeakPolarHBondContact O-CG 3.34Å; I307-P340 HydrophobicContact CG2-CG 4.02Å
308A87.9Confident87.9Confident0 Ų058.4 Ų58.40%027%0.273CS..Iπ-helixtrans-75-47.6-168.300000112.4R303 L304 R311 I338 F339R303-A308 PolarHBondContact O-N 3.31Å; L304-A308 HydrophobicContact CD1-CB 4.23Å; L304-A308 PolarHBondContact O-N 3.15Å; A308-R311 WeakPolarHBondContact O-CB 3.46Å; A308-R311 PolarHBondContact O-N 3.02Å; A308-I338 HydrophobicContact CB-CD1 4.03Å; A308-I338 HydrophobicContact CB-CG1 4.21Å; A308-F339 HydrophobicContact CB-CD1 3.67Å; A308-F339 HydrophobicContact CB-CE1 3.61Å; A308-F339 HydrophobicContact CB-CG 4.44Å; A308-F339 HydrophobicContact CB-CZ 4.3Å
309V88.3Confident87.8Confident0 Ų060 Ų600%029%0.287CS..G310 helixtrans-63.8-44.3-178.4172.10000112.6L304 R311 I312 F315 L318 M331 P377L304-V309 HydrophobicContact CD1-CG2 3.9Å; L304-V309 HydrophobicContact CG-CG2 4.01Å; L304-V309 WeakPolarHBondContact O-CB 3.49Å; L304-V309 VanDerWaalsContact O-CG2 3.29Å; L304-V309 WeakPolarHBondContact O-CG2 3.15Å; L304-V309 PolarHBondContact O-N 2.84Å; V309-R311 PolarHBondContact O-N 3.07Å; V309-R311 VanDerWaalsContact O-N 3.12Å; V309-I312 HydrophobicContact CB-CD1 4.47Å; V309-I312 HydrophobicContact CG1-CD1 4.29Å; V309-I312 HydrophobicContact CG2-CD1 4.49Å; V309-I312 WeakPolarHBondContact O-CB 3.38Å; V309-I312 WeakPolarHBondContact O-CG1 3.21Å; V309-I312 PolarHBondContact O-N 3.18Å; V309-F315 HydrophobicContact CG1-CD1 4.39Å; V309-F315 HydrophobicContact CG1-CD2 4.04Å; V309-F315 HydrophobicContact CG1-CE1 3.74Å; V309-F315 HydrophobicContact CG1-CE2 3.36Å; V309-F315 HydrophobicContact CG1-CZ 3.17Å; V309-L318 HydrophobicContact CG1-CD1 4.34Å; V309-L318 HydrophobicContact CG1-CG 4.47Å; V309-L318 HydrophobicContact CG2-CD1 4.37Å; V309-M331 HydrophobicContact CG2-CE 4.19Å; V309-P377 HydrophobicContact CB-CG 4.37Å; V309-P377 HydrophobicContact CG1-CG 3.54Å
310P85.4Confident87.9Confident80 Ų8057.1 Ų57.152%0.51928%0.281SS..G310 helixtrans-62.1-18.5175.4-26.136.2000114.8I305I305-P310 VanDerWaalsContact O-CD 3.25Å; I305-P310 WeakPolarHBondContact O-CD 3.22Å; I305-P310 WeakPolarHBondContact O-CG 3.08Å
311R87.5Confident87.8Confident139 Ų13966.3 Ų66.353%0.52532%0.321SS..G310 helixtrans-84.2-7.3176.7-75.1174160.8-151.9-9.3113.8I307 A308 V309 R313 I338I307-R311 WeakPolarHBondContact O-CD 3.02Å; I307-R311 VanDerWaalsContact O-CG 3.25Å; I307-R311 WeakPolarHBondContact O-CG 3.34Å; A308-R311 WeakPolarHBondContact O-CB 3.46Å; A308-R311 PolarHBondContact O-N 3.02Å; V309-R311 PolarHBondContact O-N 3.07Å; V309-R311 VanDerWaalsContact O-N 3.12Å; R311-R313 PolarHBondContact O-N 3.37Å; R311-I338 HydrophobicContact CB-CB 4.32Å; R311-I338 WeakPolarHBondContact CD-O 3.47Å
312I83.7Confident87.8Confident47 Ų4768.5 Ų68.524%0.24134%0.337CS..SBendtrans-64.6128.1177-65169.9000108.9V309 D314 F315 I338V309-I312 HydrophobicContact CB-CD1 4.47Å; V309-I312 HydrophobicContact CG1-CD1 4.29Å; V309-I312 HydrophobicContact CG2-CD1 4.49Å; V309-I312 WeakPolarHBondContact O-CB 3.38Å; V309-I312 WeakPolarHBondContact O-CG1 3.21Å; V309-I312 PolarHBondContact O-N 3.18Å; I312-D314 PolarHBondContact O-N 3.12Å; I312-F315 HydrophobicContact CB-CB 4.1Å; I312-F315 HydrophobicContact CB-CD2 4.18Å; I312-F315 HydrophobicContact CB-CG 4.46Å; I312-F315 HydrophobicContact CD1-CD2 4.2Å; I312-F315 HydrophobicContact CG2-CB 4.33Å; I312-F315 HydrophobicContact CG2-CD2 4.35Å; I312-F315 WeakPolarHBondContact O-CB 3.35Å; I312-F315 PolarHBondContact O-N 2.77Å; I312-I338 HydrophobicContact CD1-CD1 4.3Å; I312-I338 HydrophobicContact CG1-CD1 3.96Å; I312-I338 HydrophobicContact CG1-CG2 4.06Å
313R79.9Confident88.1Confident191 Ų19167.3 Ų67.372%0.72133%0.331SS*.THydrogen-bonded Turntrans-63.1134.9174.3-172.6176.464.2-174.8-6.8110.2R311 F315R311-R313 PolarHBondContact O-N 3.37Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 3.38Å
314D83Confident88.3Confident135 Ų13570.5 Ų70.572%0.72235%0.35SS*.THydrogen-bonded Turntrans56.935.8-177.8-52-43.2000114I312 R316I312-D314 PolarHBondContact O-N 3.12Å; D314-R316 PolarHBondContact O-N 3.36Å; D314-R316 VanDerWaalsContact O-N 3.17Å
315F84.3Confident88.4Confident65 Ų6572.7 Ų72.729%0.28537%0.372SS..  trans-65114.7179.7-175.4-112.3000112V309 I312 R313 L318 P377V309-F315 HydrophobicContact CG1-CD1 4.39Å; V309-F315 HydrophobicContact CG1-CD2 4.04Å; V309-F315 HydrophobicContact CG1-CE1 3.74Å; V309-F315 HydrophobicContact CG1-CE2 3.36Å; V309-F315 HydrophobicContact CG1-CZ 3.17Å; I312-F315 HydrophobicContact CB-CB 4.1Å; I312-F315 HydrophobicContact CB-CD2 4.18Å; I312-F315 HydrophobicContact CB-CG 4.46Å; I312-F315 HydrophobicContact CD1-CD2 4.2Å; I312-F315 HydrophobicContact CG2-CB 4.33Å; I312-F315 HydrophobicContact CG2-CD2 4.35Å; I312-F315 WeakPolarHBondContact O-CB 3.35Å; I312-F315 PolarHBondContact O-N 2.77Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 3.38Å; F315-L318 HydrophobicContact CE2-CD2 4.01Å; F315-L318 HydrophobicContact CE2-CG 3.88Å; F315-L318 HydrophobicContact CZ-CG 4.07Å; F315-P377 HydrophobicContact CE1-CB 3.84Å; F315-P377 HydrophobicContact CE1-CG 4.15Å; F315-P377 HydrophobicContact CZ-CB 3.78Å; F315-P377 HydrophobicContact CZ-CG 3.73Å
316R84.9Confident88.6Confident190 Ų19080.5 Ų80.572%0.71740%0.401SS*.  trans-11222.9178.2-65.8-175.9-175.7-174.94.1112.7D314 R379D314-R316 PolarHBondContact O-N 3.36Å; D314-R316 VanDerWaalsContact O-N 3.17Å; R316-R379 WeakPolarHBondContact O-CB 3.25Å; R316-R379 WeakPolarHBondContact O-CG 3.22Å; R316-R379 PolarHBondContact O-NE 3.49Å
317G88.2Confident88.9Confident20 Ų2076.6 Ų76.621%0.20638%0.377CS..  trans87.4155.3-170.600000113.7P377G317-P377 CarbonylContact C-O 3.52Å; G317-P377 VanDerWaalsContact CA-O 3.31Å; G317-P377 WeakPolarHBondContact CA-O 3.4Å
318L90.3Very high89.5Confident19 Ų1975.7 Ų75.710%0.09937%0.372CS..BIsolated β-bridgetrans-82140.2177.4-67.7174.9000110.7V309 F315 A320 Y329 M331 F376 P377 F378 R379V309-L318 HydrophobicContact CG1-CD1 4.34Å; V309-L318 HydrophobicContact CG1-CG 4.47Å; V309-L318 HydrophobicContact CG2-CD1 4.37Å; F315-L318 HydrophobicContact CE2-CD2 4.01Å; F315-L318 HydrophobicContact CE2-CG 3.88Å; F315-L318 HydrophobicContact CZ-CG 4.07Å; L318-A320 PolarHBondContact O-N 3.17Å; L318-Y329 WeakPolarHBondContact CB-OH 3.08Å; L318-M331 HydrophobicContact CD1-CE 4.46Å; L318-M331 HydrophobicContact CD1-SD 3.78Å; L318-M331 HydrophobicContact CD2-CE 4.11Å; L318-M331 HydrophobicContact CD2-SD 4.12Å; L318-F376 HydrophobicContact CB-CE1 4.15Å; L318-F376 HydrophobicContact CD1-CD1 4.11Å; L318-F376 HydrophobicContact CD1-CE1 3.28Å; L318-F376 HydrophobicContact CD1-CE2 4.17Å; L318-F376 HydrophobicContact CD1-CZ 3.32Å; L318-F376 HydrophobicContact CG-CE1 4.35Å; L318-P377 HydrophobicContact CD1-CG 4.18Å; L318-P377 PolarHBondContact N-O 3.17Å; L318-F378 CarbonylContact O-C 3.45Å; L318-F378 WeakPolarHBondContact O-CA 3.45Å; L318-R379 PolarHBondContact O-N 3.26Å
319S91.9Very high90Very high53 Ų5375.8 Ų75.837%0.37137%0.373SS..  trans-62.2129.2-178177.30000111K321 Y329S319-K321 PolarHBondContact O-N 2.89Å; S319-K321 PolarHBondContact OG-N 3.37Å; S319-K321 VanDerWaalsContact OG-N 3.14Å; S319-Y329 WeakPolarHBondContact O-CE2 3.46Å; S319-Y329 PolarHBondContact O-OH 3.13Å
320A90Very high90.4Very high44 Ų4478.4 Ų78.436%0.36439%0.391SS..THydrogen-bonded Turntrans-74.2-5.8171.500000113.2L318 F323 F378L318-A320 PolarHBondContact O-N 3.17Å; A320-F323 VanDerWaalsContact O-CD2 3.3Å; A320-F323 WeakPolarHBondContact O-CD2 3.17Å; A320-F378 HydrophobicContact CB-CD1 4.23Å
321K91.8Very high90.8Very high194 Ų19475.2 Ų75.284%0.84337%0.369SS*.THydrogen-bonded Turntrans-93.2-0.6-178.9-59.8-175178.5-175.50114S319 F323S319-K321 PolarHBondContact O-N 2.89Å; S319-K321 PolarHBondContact OG-N 3.37Å; S319-K321 VanDerWaalsContact OG-N 3.14Å; K321-F323 PolarHBondContact O-N 2.97Å
322S94.6Very high91.1Very high47 Ų4771.2 Ų71.233%0.32937%0.371SS..  trans-87.122.4-174.1-59.40000114S330S322-S330 VanDerWaalsContact CB-O 3.23Å; S322-S330 WeakPolarHBondContact CB-O 3.35Å; S322-S330 PolarHBondContact O-N 3.15Å
323F96Very high91.5Very high23 Ų2369.3 Ų69.310%0.10136%0.362CS..BIsolated β-bridgetrans-87.1157172.1-66.7-89.5000111.3A320 K321 N328 Y329 D364 R368 L371 F378A320-F323 VanDerWaalsContact O-CD2 3.3Å; A320-F323 WeakPolarHBondContact O-CD2 3.17Å; K321-F323 PolarHBondContact O-N 2.97Å; F323-N328 VanDerWaalsContact CA-O 3.24Å; F323-N328 WeakPolarHBondContact CA-O 3.27Å; F323-Y329 HydrophobicContact CD1-CD2 4.01Å; F323-Y329 AromaticContact CD2-CD2 3.89Å; F323-Y329 HydrophobicContact CD2-CD2 3.89Å; F323-Y329 HydrophobicContact CD2-CE2 4.31Å; F323-Y329 AromaticContact CE1-CD2 3.77Å; F323-Y329 HydrophobicContact CE1-CD2 3.77Å; F323-Y329 HydrophobicContact CE1-CG 4.26Å; F323-Y329 AromaticContact CE2-CD2 3.63Å; F323-Y329 HydrophobicContact CE2-CD2 3.63Å; F323-Y329 AromaticContact CE2-CE2 3.99Å; F323-Y329 HydrophobicContact CE2-CE2 3.99Å; F323-Y329 HydrophobicContact CG-CD2 4.07Å; F323-Y329 AromaticContact CZ-CD2 3.57Å; F323-Y329 HydrophobicContact CZ-CD2 3.57Å; F323-Y329 HydrophobicContact CZ-CE2 4.28Å; F323-Y329 HydrophobicContact CZ-CG 4.34Å; F323-D364 HydrophobicContact CB-CB 3.94Å; F323-D364 WeakPolarHBondContact CB-OD1 3.46Å; F323-D364 WeakPolarHBondContact CB-OD2 3.25Å; F323-D364 HydrophobicContact CG-CB 4.33Å; F323-R368 HydrophobicContact CE2-CB 3.97Å; F323-R368 HydrophobicContact CE2-CG 4.24Å; F323-R368 HydrophobicContact CZ-CB 3.84Å; F323-R368 HydrophobicContact CZ-CG 4.36Å; F323-L371 HydrophobicContact CE1-CD1 3.96Å; F323-L371 HydrophobicContact CZ-CD1 3.93Å; F323-F378 AromaticContact CE2-CE1 3.95Å; F323-F378 HydrophobicContact CE2-CE1 3.95Å; F323-F378 HydrophobicContact CE2-CZ 4.1Å; F323-F378 HydrophobicContact CZ-CE1 4.05Å; F323-F378 AromaticContact CZ-CZ 3.81Å; F323-F378 HydrophobicContact CZ-CZ 3.81Å
324D94Very high92Very high92 Ų9271 Ų7149%0.49237%0.368SS..  trans-102.714.3-172.672.4-16.4000115R326 G327 N328D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 PolarHBondContact OD1-N 2.91Å; D324-G327 PolarHBondContact OD1-N 3.42Å; D324-N328 PolarHBondContact N-O 3.35Å; D324-N328 WeakPolarHBondContact OD1-CB 3.13Å; D324-N328 PolarHBondContact OD1-N 3.06Å; D324-N328 PolarHBondContact OD1-ND2 3.31Å; D324-N328 WeakPolarHBondContact OD2-CB 3.45Å; D324-N328 PolarHBondContact OD2-ND2 2.83Å
325G93.6Very high92.3Very high46 Ų4667.5 Ų67.547%0.47435%0.348SS..SBendtrans83.5-10.8-17400000114.1D364G325-D364 VanDerWaalsContact CA-CG 3.48Å; G325-D364 WeakPolarHBondContact CA-OD1 3.25Å; G325-D364 WeakPolarHBondContact CA-OD2 3.41Å; G325-D364 PolarHBondContact N-OD1 3.4Å; G325-D364 PolarHBondContact N-OD2 2.8Å
326R93.9Very high92.7Very high181 Ų18164.4 Ų64.468%0.68333%0.334SS*.SBendtrans-119.819.7178.5-61.3-176.6179.8-172.1-0.7111.8D324 N328 A361 D364D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 PolarHBondContact OD1-N 2.91Å; R326-N328 VanDerWaalsContact C-N 3.26Å; R326-N328 PolarHBondContact O-N 2.94Å; R326-A361 VanDerWaalsContact O-O 3.05Å; R326-D364 PolarHBondContact N-OD1 2.92Å
327G93.6Very high92.9Very high0 Ų057.4 Ų57.40%031%0.31CS..SBendtrans70.714.1178.600000115.2D324 T359 S363 D364D324-G327 PolarHBondContact OD1-N 3.42Å; G327-T359 WeakPolarHBondContact O-CG2 3.28Å; G327-T359 PolarHBondContact O-OG1 3.34Å; G327-S363 WeakPolarHBondContact CA-O 3.41Å; G327-D364 PolarHBondContact N-OD1 2.9Å
328N97Very high92.9Very high23 Ų2357 Ų5712%0.12330%0.303CS..  trans-86.2141.8167.6-51.6-64.4000109.6F323 D324 R326 I357 T358 T359F323-N328 VanDerWaalsContact CA-O 3.24Å; F323-N328 WeakPolarHBondContact CA-O 3.27Å; D324-N328 PolarHBondContact N-O 3.35Å; D324-N328 WeakPolarHBondContact OD1-CB 3.13Å; D324-N328 PolarHBondContact OD1-N 3.06Å; D324-N328 PolarHBondContact OD1-ND2 3.31Å; D324-N328 WeakPolarHBondContact OD2-CB 3.45Å; D324-N328 PolarHBondContact OD2-ND2 2.83Å; R326-N328 VanDerWaalsContact C-N 3.26Å; R326-N328 PolarHBondContact O-N 2.94Å; N328-I357 WeakPolarHBondContact CA-O 3.4Å; N328-T358 VanDerWaalsContact OD1-CA 3.31Å; N328-T358 WeakPolarHBondContact OD1-CA 3.37Å; N328-T358 WeakPolarHBondContact OD1-CG2 3.33Å; N328-T359 PolarHBondContact OD1-N 3.31Å
329Y97.6Very high92.9Very high2 Ų256 Ų561%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-114.5131.8-177.6-171.8-98.6000110.9L318 S319 F323 M331 T356 I357 L371 F376 F378L318-Y329 WeakPolarHBondContact CB-OH 3.08Å; S319-Y329 WeakPolarHBondContact O-CE2 3.46Å; S319-Y329 PolarHBondContact O-OH 3.13Å; F323-Y329 HydrophobicContact CD1-CD2 4.01Å; F323-Y329 AromaticContact CD2-CD2 3.89Å; F323-Y329 HydrophobicContact CD2-CD2 3.89Å; F323-Y329 HydrophobicContact CD2-CE2 4.31Å; F323-Y329 AromaticContact CE1-CD2 3.77Å; F323-Y329 HydrophobicContact CE1-CD2 3.77Å; F323-Y329 HydrophobicContact CE1-CG 4.26Å; F323-Y329 AromaticContact CE2-CD2 3.63Å; F323-Y329 HydrophobicContact CE2-CD2 3.63Å; F323-Y329 AromaticContact CE2-CE2 3.99Å; F323-Y329 HydrophobicContact CE2-CE2 3.99Å; F323-Y329 HydrophobicContact CG-CD2 4.07Å; F323-Y329 AromaticContact CZ-CD2 3.57Å; F323-Y329 HydrophobicContact CZ-CD2 3.57Å; F323-Y329 HydrophobicContact CZ-CE2 4.28Å; F323-Y329 HydrophobicContact CZ-CG 4.34Å; Y329-M331 HydrophobicContact CE1-CB 3.87Å; Y329-M331 HydrophobicContact CE1-CG 4.15Å; Y329-M331 HydrophobicContact CE1-SD 4.37Å; Y329-T356 CarbonylContact O-C 3.45Å; Y329-T356 WeakPolarHBondContact O-CA 3.45Å; Y329-I357 HydrophobicContact CD1-CD1 4.24Å; Y329-I357 PolarHBondContact N-O 2.92Å; Y329-I357 PolarHBondContact O-N 3.03Å; Y329-L371 HydrophobicContact CD1-CD1 4.3Å; Y329-L371 HydrophobicContact CD2-CD1 4.28Å; Y329-L371 HydrophobicContact CG-CD1 3.8Å; Y329-F376 HydrophobicContact CD1-CE1 4.03Å; Y329-F376 AromaticContact CD1-CZ 3.87Å; Y329-F376 HydrophobicContact CD1-CZ 3.87Å; Y329-F376 AromaticContact CE1-CE1 3.6Å; Y329-F376 HydrophobicContact CE1-CE1 3.6Å; Y329-F376 AromaticContact CE1-CZ 3.65Å; Y329-F376 HydrophobicContact CE1-CZ 3.65Å; Y329-F376 AromaticContact CZ-CE1 3.97Å; Y329-F378 HydrophobicContact CD2-CE1 4.44Å; Y329-F378 AromaticContact CE2-CE1 3.96Å; Y329-F378 HydrophobicContact CE2-CE1 3.96Å
330S96.7Very high92.6Very high55 Ų5555.5 Ų55.539%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-122.8135.4174.3-65.60000111.8S322 I355 T356S322-S330 VanDerWaalsContact CB-O 3.23Å; S322-S330 WeakPolarHBondContact CB-O 3.35Å; S322-S330 PolarHBondContact O-N 3.15Å; S330-I355 WeakPolarHBondContact CA-O 3.36Å; S330-T356 WeakPolarHBondContact OG-CG2 3.36Å; S330-T356 PolarHBondContact OG-OG1 3Å
331M94.7Very high92.5Very high14 Ų1457.1 Ų57.17%0.06929%0.293CS..EExtended strand (participates in β ladder)trans-135.6143.8174.757175.3-85.400111.2L304 V309 L318 Y329 V333 I355 F376L304-M331 HydrophobicContact CD1-CE 4.35Å; L304-M331 HydrophobicContact CD2-SD 4.42Å; V309-M331 HydrophobicContact CG2-CE 4.19Å; L318-M331 HydrophobicContact CD1-CE 4.46Å; L318-M331 HydrophobicContact CD1-SD 3.78Å; L318-M331 HydrophobicContact CD2-CE 4.11Å; L318-M331 HydrophobicContact CD2-SD 4.12Å; Y329-M331 HydrophobicContact CE1-CB 3.87Å; Y329-M331 HydrophobicContact CE1-CG 4.15Å; Y329-M331 HydrophobicContact CE1-SD 4.37Å; M331-V333 HydrophobicContact CE-CG2 3.63Å; M331-I355 HydrophobicContact CE-CD1 4.05Å; M331-I355 HydrophobicContact CG-CB 3.92Å; M331-I355 PolarHBondContact N-O 3.43Å; M331-I355 PolarHBondContact O-N 3.1Å; M331-F376 HydrophobicContact SD-CZ 4.25Å
332G93.3Very high92.3Very high55 Ų5548.6 Ų48.657%0.56726%0.257SS*.EExtended strand (participates in β ladder)trans-99.8128.3170.500000110.7
333V92.6Very high91.6Very high7 Ų748.5 Ų48.54%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-96.1128.7167.9174.40000107.6M331 E335 I338 G352 L353 I355M331-V333 HydrophobicContact CE-CG2 3.63Å; V333-E335 WeakPolarHBondContact CG1-O 3.35Å; V333-I338 HydrophobicContact CB-CD1 4.3Å; V333-I338 HydrophobicContact CG1-CD1 3.38Å; V333-I338 HydrophobicContact CG1-CG1 3.89Å; V333-I338 HydrophobicContact CG2-CD1 3.9Å; V333-G352 CarbonylContact O-C 3.58Å; V333-G352 WeakPolarHBondContact O-CA 3.35Å; V333-L353 HydrophobicContact CB-CB 4.36Å; V333-L353 WeakPolarHBondContact CB-O 3.36Å; V333-L353 PolarHBondContact N-O 2.95Å; V333-L353 PolarHBondContact O-N 2.83Å; V333-I355 HydrophobicContact CG2-CD1 3.85Å; V333-I355 HydrophobicContact CG2-CG1 4.5Å
334R90.1Very high90.9Very high225 Ų22555 Ų5585%0.84928%0.278SS*.SBendtrans-75.1-31.2-178.7-64-177-171.3172.62.3113.5R351 G352R334-R351 CarbonylContact O-C 3.53Å; R334-G352 WeakPolarHBondContact O-CA 3.33Å; R334-G352 PolarHBondContact O-N 3.23Å
335E90.3Very high90.3Very high63 Ų6355.6 Ų55.629%0.29428%0.281SS..  trans-135.4123-172.9-45.3-175.5173.800110.1V333 I337 V350 R351V333-E335 WeakPolarHBondContact CG1-O 3.35Å; E335-I337 HydrophobicContact CB-CG1 3.94Å; E335-I337 PolarHBondContact O-N 2.78Å; E335-I337 WeakPolarHBondContact OE2-CD1 3.48Å; E335-V350 HydrophobicContact CB-CG1 3.55Å; E335-V350 HydrophobicContact CG-CG1 3.52Å; E335-R351 CarbonylContact C-O 3.51Å; E335-R351 WeakPolarHBondContact CA-O 3.3Å
336Q90.8Very high89.8Confident0 Ų059.5 Ų59.50%029%0.285CS..G310 helixtrans-68.3-14.917979-7831.900113.7D257 I261 I338 F339 I342 R349 R351D257-Q336 PolarHBondContact OD2-NE2 2.79Å; I261-Q336 HydrophobicContact CD1-CB 4.31Å; Q336-I338 PolarHBondContact O-N 3.5Å; Q336-I338 VanDerWaalsContact O-N 3.14Å; Q336-F339 WeakPolarHBondContact O-CD2 3.18Å; Q336-F339 PolarHBondContact O-N 3.46Å; Q336-I342 HydrophobicContact CG-CG1 4.3Å; Q336-I342 HydrophobicContact CG-CG2 4.29Å; Q336-R349 PolarHBondContact NE2-O 3.31Å; Q336-R351 PolarHBondContact N-O 3.31Å; Q336-R351 PolarHBondContact OE1-O 3.04Å
337I90Very high89.2Confident42 Ų4252.2 Ų52.222%0.21526%0.261CS..G310 helixtrans-67.1-11.2-178.667.7175.7000114.1E335 F339 I342 Y344 V347E335-I337 HydrophobicContact CB-CG1 3.94Å; E335-I337 PolarHBondContact O-N 2.78Å; E335-I337 WeakPolarHBondContact OE2-CD1 3.48Å; I337-F339 PolarHBondContact O-N 2.81Å; I337-I342 HydrophobicContact CG2-CG2 4.18Å; I337-Y344 HydrophobicContact CD1-CD2 4.03Å; I337-Y344 HydrophobicContact CD1-CE2 4.31Å; I337-Y344 HydrophobicContact CG2-CD2 4.37Å; I337-V347 HydrophobicContact CG2-CG2 4.25Å
338I87.7Confident88.8Confident11 Ų1155.6 Ų55.66%0.05628%0.278CS..G310 helixtrans-62.5-26.717466.4166.6000111.6A308 R311 I312 V333 Q336A308-I338 HydrophobicContact CB-CD1 4.03Å; A308-I338 HydrophobicContact CB-CG1 4.21Å; R311-I338 HydrophobicContact CB-CB 4.32Å; R311-I338 WeakPolarHBondContact CD-O 3.47Å; I312-I338 HydrophobicContact CD1-CD1 4.3Å; I312-I338 HydrophobicContact CG1-CD1 3.96Å; I312-I338 HydrophobicContact CG1-CG2 4.06Å; V333-I338 HydrophobicContact CB-CD1 4.3Å; V333-I338 HydrophobicContact CG1-CD1 3.38Å; V333-I338 HydrophobicContact CG1-CG1 3.89Å; V333-I338 HydrophobicContact CG2-CD1 3.9Å; Q336-I338 PolarHBondContact O-N 3.5Å; Q336-I338 VanDerWaalsContact O-N 3.14Å
339F90.8Very high88.3Confident0 Ų060.3 Ų60.30%030%0.295CS..SBendtrans-78.1127.5177.9-67.3-72.9000110.5I261 F300 L304 A308 Q336 I337 E341 I342 L353 I355I261-F339 HydrophobicContact CD1-CB 4.31Å; I261-F339 HydrophobicContact CD1-CD2 3.62Å; I261-F339 HydrophobicContact CD1-CE2 4.24Å; I261-F339 HydrophobicContact CD1-CG 4.12Å; I261-F339 HydrophobicContact CG1-CB 3.94Å; I261-F339 HydrophobicContact CG1-CD2 4.05Å; I261-F339 HydrophobicContact CG1-CG 4.02Å; I261-F339 HydrophobicContact CG2-CD1 3.96Å; I261-F339 HydrophobicContact CG2-CD2 4.1Å; I261-F339 HydrophobicContact CG2-CE1 4.1Å; I261-F339 HydrophobicContact CG2-CE2 4.27Å; I261-F339 HydrophobicContact CG2-CG 3.94Å; I261-F339 HydrophobicContact CG2-CZ 4.26Å; F300-F339 AromaticContact CE2-CE1 3.72Å; F300-F339 HydrophobicContact CE2-CE1 3.72Å; F300-F339 AromaticContact CE2-CZ 3.96Å; F300-F339 HydrophobicContact CE2-CZ 3.96Å; F300-F339 HydrophobicContact CZ-CE1 4.07Å; F300-F339 HydrophobicContact CZ-CZ 4.03Å; L304-F339 HydrophobicContact CD1-CE1 4.16Å; L304-F339 HydrophobicContact CD1-CZ 4.12Å; A308-F339 HydrophobicContact CB-CD1 3.67Å; A308-F339 HydrophobicContact CB-CE1 3.61Å; A308-F339 HydrophobicContact CB-CG 4.44Å; A308-F339 HydrophobicContact CB-CZ 4.3Å; Q336-F339 WeakPolarHBondContact O-CD2 3.18Å; Q336-F339 PolarHBondContact O-N 3.46Å; I337-F339 PolarHBondContact O-N 2.81Å; F339-E341 PolarHBondContact O-N 3.35Å; F339-E341 VanDerWaalsContact O-N 3.12Å; F339-I342 HydrophobicContact CB-CG1 4.3Å; F339-I342 PolarHBondContact O-N 3.16Å; F339-I342 VanDerWaalsContact O-N 3.07Å; F339-L353 HydrophobicContact CE2-CD2 3.54Å; F339-L353 HydrophobicContact CZ-CD2 3.96Å; F339-I355 HydrophobicContact CZ-CD1 4.08Å
340P85.3Confident87.9Confident41 Ų4163.7 Ų63.727%0.26632%0.315SS..THydrogen-bonded Turntrans-65.2-15.4-17828.5-36.8000114.1I307 I342I307-P340 HydrophobicContact CG2-CG 4.02Å; P340-I342 VanDerWaalsContact C-N 3.27Å
341E87.3Confident87.6Confident78 Ų7862.1 Ų62.136%0.36430%0.301SS..THydrogen-bonded Turntrans-72.8-21.1175.1-63.375.4-161.900112.8A260 R303 F339A260-E341 HydrophobicContact CB-CB 4.4Å; R303-E341 WeakPolarHBondContact CD-OE1 3.31Å; R303-E341 IonicContact CZ-OE1 3.85Å; R303-E341 IonicContact CZ-OE2 3.5Å; R303-E341 IonicContact NE-OE1 3.62Å; R303-E341 PolarHBondContact NE-OE1 3.41Å; R303-E341 IonicContact NE-OE2 3.28Å; R303-E341 VanDerWaalsContact NH1-CD 3.25Å; R303-E341 IonicContact NH1-OE1 2.72Å; R303-E341 PolarHBondContact NH1-OE1 2.94Å; R303-E341 IonicContact NH1-OE2 3.74Å; R303-E341 PolarHBondContact NH1-OE2 3.36Å; F339-E341 PolarHBondContact O-N 3.35Å; F339-E341 VanDerWaalsContact O-N 3.12Å
342I87.4Confident87.5Confident16 Ų1663.2 Ų63.28%0.08232%0.316CS..SBendtrans-89.3125.7179.6-58.9-56.1000109.8D257 A260 I261 Q336 I337 F339 P340 V347D257-I342 HydrophobicContact CB-CD1 3.73Å; A260-I342 HydrophobicContact CB-CD1 4.39Å; I261-I342 HydrophobicContact CD1-CD1 3.97Å; I261-I342 HydrophobicContact CD1-CG1 3.9Å; I261-I342 HydrophobicContact CG1-CD1 3.8Å; I261-I342 HydrophobicContact CG1-CG1 3.83Å; Q336-I342 HydrophobicContact CG-CG1 4.3Å; Q336-I342 HydrophobicContact CG-CG2 4.29Å; I337-I342 HydrophobicContact CG2-CG2 4.18Å; F339-I342 HydrophobicContact CB-CG1 4.3Å; F339-I342 PolarHBondContact O-N 3.16Å; F339-I342 VanDerWaalsContact O-N 3.07Å; P340-I342 VanDerWaalsContact C-N 3.27Å; I342-V347 HydrophobicContact CG2-CG2 3.32Å
343D81.4Confident87.6Confident44 Ų4460.6 Ų60.624%0.23529%0.289CS..  trans-91109177.1-175-3.7000109.3R17 D345 K346 V347R17-D343 IonicContact NH2-OD2 2.73Å; R17-D343 PolarHBondContact NH2-OD2 2.92Å; D343-D345 PolarHBondContact O-N 3.33Å; D343-D345 VanDerWaalsContact O-N 3.11Å; D343-D345 PolarHBondContact OD1-N 2.99Å; D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 HydrophobicContact CB-CD 4.17Å; D343-K346 HydrophobicContact CB-CG 4.19Å; D343-K346 PolarHBondContact O-N 3.3Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; D343-V347 WeakPolarHBondContact O-CG2 3.37Å; D343-V347 PolarHBondContact O-N 3.38Å
344Y80.1Confident87.7Confident161 Ų16164 Ų6463%0.63131%0.307SS*.G310 helixtrans-50.1-38.7-176.8175.4-97.6000112.9I337 K346 V347I337-Y344 HydrophobicContact CD1-CD2 4.03Å; I337-Y344 HydrophobicContact CD1-CE2 4.31Å; I337-Y344 HydrophobicContact CG2-CD2 4.37Å; Y344-K346 VanDerWaalsContact C-N 3.27Å; Y344-K346 PolarHBondContact O-N 3.11Å; Y344-V347 PolarHBondContact O-N 3.37Å
345D81.8Confident88.1Confident103 Ų10353.3 Ų53.355%0.55127%0.267SS*.G310 helixtrans-75.1-15.4-175.8-65.6-35.5000113.6D343D343-D345 PolarHBondContact O-N 3.33Å; D343-D345 VanDerWaalsContact O-N 3.11Å; D343-D345 PolarHBondContact OD1-N 2.99Å
346K82.4Confident88.4Confident128 Ų12852.5 Ų52.556%0.55727%0.266SS*.G310 helixtrans-99.4-13.9178.4-69.4-171.8-171.9171.60113.8R17 D343 Y344 D348R17-K346 VanDerWaalsContact CZ-NZ 3.35Å; R17-K346 VanDerWaalsContact NH2-NZ 3.19Å; D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 HydrophobicContact CB-CD 4.17Å; D343-K346 HydrophobicContact CB-CG 4.19Å; D343-K346 PolarHBondContact O-N 3.3Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; Y344-K346 VanDerWaalsContact C-N 3.27Å; Y344-K346 PolarHBondContact O-N 3.11Å; K346-D348 PolarHBondContact O-N 3.36Å
347V82.2Confident88.8Confident29 Ų2952.5 Ų52.518%0.17627%0.266CS..  trans-69122.2-177.6173.80000108I337 I342 D343 Y344 R349I337-V347 HydrophobicContact CG2-CG2 4.25Å; I342-V347 HydrophobicContact CG2-CG2 3.32Å; D343-V347 WeakPolarHBondContact O-CG2 3.37Å; D343-V347 PolarHBondContact O-N 3.38Å; Y344-V347 PolarHBondContact O-N 3.37Å; V347-R349 VanDerWaalsContact CG1-C 3.41Å; V347-R349 WeakPolarHBondContact CG1-O 3.45Å
348D85.4Confident89.1Confident70 Ų7051.6 Ų51.637%0.37426%0.262SS..SBendtrans-70.1-41175.358-21000111.5L250 N253 K346 R351L250-D348 VanDerWaalsContact CD2-OD2 3.31Å; L250-D348 WeakPolarHBondContact CD2-OD2 3.28Å; N253-D348 PolarHBondContact ND2-OD2 2.91Å; K346-D348 PolarHBondContact O-N 3.36Å; D348-R351 IonicContact OD1-CZ 3.52Å; D348-R351 VanDerWaalsContact OD1-CZ 3.28Å; D348-R351 IonicContact OD1-NH1 3.22Å; D348-R351 PolarHBondContact OD1-NH1 2.72Å; D348-R351 IonicContact OD1-NH2 2.83Å; D348-R351 PolarHBondContact OD1-NH2 3.29Å; D348-R351 IonicContact OD2-CZ 3.89Å; D348-R351 IonicContact OD2-NH1 3.46Å; D348-R351 IonicContact OD2-NH2 3.14Å; D348-R351 PolarHBondContact OD2-NH2 3.04Å
349R86.3Confident89.6Confident123 Ų12351.5 Ų51.546%0.46426%0.262SS..SBendtrans-150.5144.9176.7-168.9-179.3-64-142.41.2111.5E243 Q336 V347 R351E243-R349 IonicContact OE1-CZ 3.52Å; E243-R349 IonicContact OE1-NE 3.39Å; E243-R349 IonicContact OE1-NH1 2.64Å; E243-R349 PolarHBondContact OE1-NH1 3.33Å; E243-R349 WeakPolarHBondContact OE2-CD 3.26Å; E243-R349 IonicContact OE2-CZ 2.95Å; E243-R349 IonicContact OE2-NE 3.13Å; E243-R349 PolarHBondContact OE2-NE 3.37Å; E243-R349 VanDerWaalsContact OE2-NE 3.13Å; E243-R349 IonicContact OE2-NH1 2.93Å; E243-R349 PolarHBondContact OE2-NH1 3.33Å; E243-R349 IonicContact OE2-NH2 3.62Å; Q336-R349 PolarHBondContact NE2-O 3.31Å; V347-R349 VanDerWaalsContact CG1-C 3.41Å; V347-R349 WeakPolarHBondContact CG1-O 3.45Å; R349-R351 PolarHBondContact O-N 3.13Å
350V90Very high89.8Confident73 Ų7353.8 Ų53.844%0.44228%0.276SS..  trans-69.7127.3170.5-175.80000109.7E335E335-V350 HydrophobicContact CB-CG1 3.55Å; E335-V350 HydrophobicContact CG-CG1 3.52Å
351R90.4Very high90.2Very high21 Ų2152.3 Ų52.38%0.07927%0.268CS..  trans-127.7148-177.3-62.7-179.6-17690.44.3110.4L250 D257 R334 E335 Q336 D348 R349L250-R351 PolarHBondContact O-NH2 2.87Å; D257-R351 IonicContact OD2-NH1 2.76Å; R334-R351 CarbonylContact O-C 3.53Å; E335-R351 CarbonylContact C-O 3.51Å; E335-R351 WeakPolarHBondContact CA-O 3.3Å; Q336-R351 PolarHBondContact N-O 3.31Å; Q336-R351 PolarHBondContact OE1-O 3.04Å; D348-R351 IonicContact OD1-CZ 3.52Å; D348-R351 VanDerWaalsContact OD1-CZ 3.28Å; D348-R351 IonicContact OD1-NH1 3.22Å; D348-R351 PolarHBondContact OD1-NH1 2.72Å; D348-R351 IonicContact OD1-NH2 2.83Å; D348-R351 PolarHBondContact OD1-NH2 3.29Å; D348-R351 IonicContact OD2-CZ 3.89Å; D348-R351 IonicContact OD2-NH1 3.46Å; D348-R351 IonicContact OD2-NH2 3.14Å; D348-R351 PolarHBondContact OD2-NH2 3.04Å; R349-R351 PolarHBondContact O-N 3.13Å
352G92.5Very high90.5Very high37 Ų3756.8 Ų56.838%0.38129%0.286SS..  trans-79.2153.5169.600000112.4M239 V333 R334M239-G352 WeakPolarHBondContact CG-O 3.47Å; V333-G352 CarbonylContact O-C 3.58Å; V333-G352 WeakPolarHBondContact O-CA 3.35Å; R334-G352 WeakPolarHBondContact O-CA 3.33Å; R334-G352 PolarHBondContact O-N 3.23Å
353L94.1Very high90.9Very high1 Ų158 Ų581%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-132.1127.2174.6174.671.8000109.6L237 M239 L258 V333 F339 I355L237-L353 HydrophobicContact CB-CD1 4.14Å; M239-L353 HydrophobicContact CG-CB 4.19Å; M239-L353 HydrophobicContact CG-CD1 3.38Å; M239-L353 HydrophobicContact CG-CG 4.41Å; M239-L353 HydrophobicContact SD-CB 4.43Å; M239-L353 HydrophobicContact SD-CD1 4.06Å; L258-L353 HydrophobicContact CD1-CD1 3.68Å; V333-L353 HydrophobicContact CB-CB 4.36Å; V333-L353 WeakPolarHBondContact CB-O 3.36Å; V333-L353 PolarHBondContact N-O 2.95Å; V333-L353 PolarHBondContact O-N 2.83Å; F339-L353 HydrophobicContact CE2-CD2 3.54Å; F339-L353 HydrophobicContact CZ-CD2 3.96Å; L353-I355 HydrophobicContact CD2-CD1 4.29Å; L353-I355 HydrophobicContact CD2-CG1 4.06Å; L353-I355 HydrophobicContact CG-CG1 4.18Å
354D96.4Very high91.5Very high79 Ų7958.5 Ų58.542%0.42230%0.299SS..EExtended strand (participates in β ladder)trans-91.1134170.2-59.4-51.7000110.2L237 N238L237-D354 WeakPolarHBondContact CA-O 3.38Å; N238-D354 PolarHBondContact N-O 2.78Å; N238-D354 PolarHBondContact O-N 3.26Å
355I97.2Very high92.2Very high0 Ų056.7 Ų56.70%030%0.296CS..EExtended strand (participates in β ladder)trans-120.9116.4178.1-52.8176.4000107.7I235 L237 F300 L304 S330 M331 V333 F339 L353 I357I235-I355 HydrophobicContact CG2-CG2 3.8Å; L237-I355 HydrophobicContact CD2-CB 4.19Å; L237-I355 HydrophobicContact CD2-CD1 4.49Å; L237-I355 HydrophobicContact CD2-CG1 3.8Å; L237-I355 HydrophobicContact CD2-CG2 3.88Å; F300-I355 HydrophobicContact CE1-CD1 4.48Å; F300-I355 HydrophobicContact CE1-CG2 4.05Å; F300-I355 HydrophobicContact CZ-CD1 3.93Å; F300-I355 HydrophobicContact CZ-CG1 4.44Å; F300-I355 HydrophobicContact CZ-CG2 4.39Å; L304-I355 HydrophobicContact CD1-CD1 3.55Å; L304-I355 HydrophobicContact CD2-CD1 4.17Å; L304-I355 HydrophobicContact CD2-CG2 4.19Å; S330-I355 WeakPolarHBondContact CA-O 3.36Å; M331-I355 HydrophobicContact CE-CD1 4.05Å; M331-I355 HydrophobicContact CG-CB 3.92Å; M331-I355 PolarHBondContact N-O 3.43Å; M331-I355 PolarHBondContact O-N 3.1Å; V333-I355 HydrophobicContact CG2-CD1 3.85Å; V333-I355 HydrophobicContact CG2-CG1 4.5Å; F339-I355 HydrophobicContact CZ-CD1 4.08Å; L353-I355 HydrophobicContact CD2-CD1 4.29Å; L353-I355 HydrophobicContact CD2-CG1 4.06Å; L353-I355 HydrophobicContact CG-CG1 4.18Å; I355-I357 HydrophobicContact CG2-CG1 4.47Å
356T97.8Very high92.8Very high46 Ų4653.2 Ų53.228%0.28228%0.276SS..EExtended strand (participates in β ladder)trans-112117.3174.5-59.60000109.5I235 T236 Y329 S330I235-T356 CarbonylContact C-O 3.58Å; I235-T356 WeakPolarHBondContact CA-O 3.37Å; T236-T356 PolarHBondContact N-O 2.76Å; T236-T356 PolarHBondContact O-N 3.31Å; Y329-T356 CarbonylContact O-C 3.45Å; Y329-T356 WeakPolarHBondContact O-CA 3.45Å; S330-T356 WeakPolarHBondContact OG-CG2 3.36Å; S330-T356 PolarHBondContact OG-OG1 3Å
357I97.7Very high93.4Very high0 Ų047.1 Ų47.10%025%0.25CC..EExtended strand (participates in β ladder)trans-93.6107.4174.3-53.7171.2000107.3V232 I235 F301 N328 Y329 I355 T359 L371 F376V232-I357 HydrophobicContact CG1-CG2 3.64Å; V232-I357 HydrophobicContact CG2-CG2 4.2Å; I235-I357 HydrophobicContact CG1-CG1 4.3Å; I235-I357 HydrophobicContact CG1-CG2 4.33Å; F301-I357 HydrophobicContact CD2-CD1 4.33Å; F301-I357 HydrophobicContact CE2-CD1 3.71Å; N328-I357 WeakPolarHBondContact CA-O 3.4Å; Y329-I357 HydrophobicContact CD1-CD1 4.24Å; Y329-I357 PolarHBondContact N-O 2.92Å; Y329-I357 PolarHBondContact O-N 3.03Å; I355-I357 HydrophobicContact CG2-CG1 4.47Å; I357-T359 HydrophobicContact CG2-CG2 4.16Å; I357-L371 HydrophobicContact CD1-CD1 4.45Å; I357-L371 HydrophobicContact CD1-CD2 4.19Å; I357-L371 HydrophobicContact CG2-CD2 4.3Å; I357-F376 HydrophobicContact CD1-CE2 3.84Å; I357-F376 HydrophobicContact CD1-CZ 4.07Å
358T97.8Very high94Very high23 Ų2351.8 Ų51.814%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-88.9127.8174.2-53.80000109E233 K234 N328E233-T358 PolarHBondContact N-O 2.91Å; K234-T358 WeakPolarHBondContact CE-OG1 3.07Å; K234-T358 HydrophobicContact CG-CG2 4.3Å; K234-T358 PolarHBondContact N-O 2.89Å; K234-T358 PolarHBondContact O-N 3.21Å; N328-T358 VanDerWaalsContact OD1-CA 3.31Å; N328-T358 WeakPolarHBondContact OD1-CA 3.37Å; N328-T358 WeakPolarHBondContact OD1-CG2 3.33Å
359T96.7Very high94.4Very high9 Ų949 Ų496%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-117.3168179.277.40000110.3R231 G327 N328 I357 A361 L370R231-T359 CarbonylContact O-C 3.53Å; R231-T359 VanDerWaalsContact O-CA 3.23Å; R231-T359 WeakPolarHBondContact O-CA 3.47Å; R231-T359 WeakPolarHBondContact O-CB 3.36Å; G327-T359 WeakPolarHBondContact O-CG2 3.28Å; G327-T359 PolarHBondContact O-OG1 3.34Å; N328-T359 PolarHBondContact OD1-N 3.31Å; I357-T359 HydrophobicContact CG2-CG2 4.16Å; T359-A361 VanDerWaalsContact C-N 3.3Å; T359-A361 VanDerWaalsContact OG1-CB 3.31Å; T359-A361 WeakPolarHBondContact OG1-CB 3.44Å; T359-A361 PolarHBondContact OG1-N 2.85Å; T359-L370 HydrophobicContact CG2-CD2 3.98Å
360T95.7Very high94.9Very high48 Ų4843.1 Ų43.129%0.29423%0.228SC..SBendtrans-91.79.3171.164.50000112.8R231 E233R231-T360 HydrophobicContact CG-CG2 3.8Å; R231-T360 PolarHBondContact N-OG1 3.49Å; R231-T360 PolarHBondContact O-N 3.43Å; E233-T360 HydrophobicContact CB-CG2 4.29Å
361A94.6Very high95.1Very high10 Ų1039.6 Ų39.68%0.08321%0.207CC..  trans-62.9156.2176.700000110.8P230 R326 T359 E366P230-A361 HydrophobicContact CB-CB 4.09Å; P230-A361 HydrophobicContact CG-CB 4.28Å; R326-A361 VanDerWaalsContact O-O 3.05Å; T359-A361 VanDerWaalsContact C-N 3.3Å; T359-A361 VanDerWaalsContact OG1-CB 3.31Å; T359-A361 WeakPolarHBondContact OG1-CB 3.44Å; T359-A361 PolarHBondContact OG1-N 2.85Å; A361-E366 HydrophobicContact CB-CB 3.83Å
362K92.4Very high95.3Very high171 Ų17140.7 Ų40.774%0.74322%0.221SC*.SBendtrans-101.8-22.4176.3-65.6-179.2-178.6176.70112.7E366K362-E366 PolarHBondContact N-OE2 2.82Å
363S95.1Very high95.3Very high41 Ų4139.1 Ų39.129%0.28720%0.204SC..SBendtrans-132.9161.9-179.272.70000111.6G327 E365 E366 G367G327-S363 WeakPolarHBondContact CA-O 3.41Å; S363-E365 PolarHBondContact O-N 3.22Å; S363-E366 PolarHBondContact O-N 2.78Å; S363-E366 WeakPolarHBondContact OG-CG 3.43Å; S363-E366 PolarHBondContact OG-N 3.28Å; S363-G367 PolarHBondContact O-N 3.27Å
364D94.9Very high95.1Very high56 Ų5639.4 Ų39.430%0.29921%0.205SC..Hα-helixtrans-66.1-28.9175.7-70.6-6.4000112.4F323 G325 R326 G327 R368F323-D364 HydrophobicContact CB-CB 3.94Å; F323-D364 WeakPolarHBondContact CB-OD1 3.46Å; F323-D364 WeakPolarHBondContact CB-OD2 3.25Å; F323-D364 HydrophobicContact CG-CB 4.33Å; G325-D364 VanDerWaalsContact CA-CG 3.48Å; G325-D364 WeakPolarHBondContact CA-OD1 3.25Å; G325-D364 WeakPolarHBondContact CA-OD2 3.41Å; G325-D364 PolarHBondContact N-OD1 3.4Å; G325-D364 PolarHBondContact N-OD2 2.8Å; R326-D364 PolarHBondContact N-OD1 2.92Å; G327-D364 PolarHBondContact N-OD1 2.9Å; D364-R368 WeakPolarHBondContact O-CB 3.28Å; D364-R368 PolarHBondContact O-N 3.43Å
365E94.5Very high94.7Very high123 Ų12341.9 Ų41.958%0.57522%0.218SC*.Hα-helixtrans-65.7-48.2175.5-174171.6-160.100111.4F221 S363 R368 A369F221-E365 HydrophobicContact CE1-CG 4.1Å; F221-E365 HydrophobicContact CZ-CG 4.2Å; S363-E365 PolarHBondContact O-N 3.22Å; E365-R368 PolarHBondContact O-N 3.02Å; E365-A369 WeakPolarHBondContact O-CB 3.34Å; E365-A369 PolarHBondContact O-N 3.33Å
366E94.8Very high94.4Very high29 Ų2942.3 Ų42.314%0.13622%0.22CC..Hα-helixtrans-61.5-44.4175-72.6-176.9166.600111.6F221 Y223 P230 A361 K362 S363 R368 A369 L370F221-E366 HydrophobicContact CD1-CG 4.12Å; F221-E366 HydrophobicContact CE1-CG 3.95Å; F221-E366 HydrophobicContact CZ-CG 4.26Å; Y223-E366 VanDerWaalsContact OH-CG 3.32Å; Y223-E366 WeakPolarHBondContact OH-CG 3.45Å; Y223-E366 PolarHBondContact OH-OE1 3.26Å; P230-E366 HydrophobicContact CG-CB 4.05Å; A361-E366 HydrophobicContact CB-CB 3.83Å; K362-E366 PolarHBondContact N-OE2 2.82Å; S363-E366 PolarHBondContact O-N 2.78Å; S363-E366 WeakPolarHBondContact OG-CG 3.43Å; S363-E366 PolarHBondContact OG-N 3.28Å; E366-R368 VanDerWaalsContact C-N 3.34Å; E366-R368 PolarHBondContact O-N 3.12Å; E366-A369 PolarHBondContact O-N 3.02Å; E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 2.84Å
367G95.5Very high93.9Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-63-40.5177.300000112.4S363 L371S363-G367 PolarHBondContact O-N 3.27Å; G367-L371 WeakPolarHBondContact O-CG 3.27Å; G367-L371 PolarHBondContact O-N 2.73Å; G367-L371 VanDerWaalsContact O-N 3.1Å
368R94.6Very high93.6Very high127 Ų12743.5 Ų43.548%0.47923%0.225SC..Hα-helixtrans-67.1-44.6176.3-173.4-177.771.6117.91.2111.7F323 D364 E365 E366 L370 L371 A372 F378F323-R368 HydrophobicContact CE2-CB 3.97Å; F323-R368 HydrophobicContact CE2-CG 4.24Å; F323-R368 HydrophobicContact CZ-CB 3.84Å; F323-R368 HydrophobicContact CZ-CG 4.36Å; D364-R368 WeakPolarHBondContact O-CB 3.28Å; D364-R368 PolarHBondContact O-N 3.43Å; E365-R368 PolarHBondContact O-N 3.02Å; E366-R368 VanDerWaalsContact C-N 3.34Å; E366-R368 PolarHBondContact O-N 3.12Å; R368-L370 VanDerWaalsContact C-N 3.34Å; R368-L371 PolarHBondContact O-N 3Å; R368-A372 WeakPolarHBondContact O-CB 3.4Å; R368-A372 PolarHBondContact O-N 3.08Å; R368-F378 HydrophobicContact CG-CE2 4.15Å; R368-F378 HydrophobicContact CG-CZ 4.24Å
369A94.4Very high93.2Very high11 Ų1149 Ų499%0.09124%0.243CC..Hα-helixtrans-62.5-42.1177.200000111.6L217 F221 E365 E366 A372 A373L217-A369 HydrophobicContact CD2-CB 3.88Å; F221-A369 HydrophobicContact CE2-CB 3.45Å; F221-A369 VanDerWaalsContact CE2-CB 3.45Å; F221-A369 HydrophobicContact CZ-CB 3.65Å; E365-A369 WeakPolarHBondContact O-CB 3.34Å; E365-A369 PolarHBondContact O-N 3.33Å; E366-A369 PolarHBondContact O-N 3.02Å; A369-A372 PolarHBondContact O-N 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.19Å
370L95.7Very high92.2Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-57.9-51.1174.6175.865.6000112Y209 V213 L217 P230 V232 T359 E366 R368 A373 F374Y209-L370 HydrophobicContact CD2-CD1 4.38Å; Y209-L370 HydrophobicContact CE2-CD1 3.98Å; V213-L370 HydrophobicContact CG1-CD1 4.19Å; L217-L370 HydrophobicContact CD1-CB 4.26Å; L217-L370 HydrophobicContact CD1-CD1 3.7Å; P230-L370 HydrophobicContact CB-CB 4.36Å; P230-L370 HydrophobicContact CB-CD2 3.98Å; P230-L370 WeakPolarHBondContact O-CD1 3.33Å; V232-L370 HydrophobicContact CG2-CD2 4.24Å; T359-L370 HydrophobicContact CG2-CD2 3.98Å; E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 2.84Å; R368-L370 VanDerWaalsContact C-N 3.34Å; L370-A373 PolarHBondContact O-N 3.5Å; L370-F374 HydrophobicContact CD1-CE2 3.76Å; L370-F374 HydrophobicContact CG-CE2 4.21Å; L370-F374 WeakPolarHBondContact O-CD2 3.31Å
371L95.3Very high92.1Very high0 Ų062.3 Ų62.30%030%0.297CS..Hα-helixtrans-67.1-40.9179.3-68.3-177.1000111.5F301 F323 Y329 I357 G367 R368 A373 F374 F376 F378F301-L371 HydrophobicContact CE2-CD2 4.15Å; F301-L371 HydrophobicContact CZ-CD2 3.66Å; F323-L371 HydrophobicContact CE1-CD1 3.96Å; F323-L371 HydrophobicContact CZ-CD1 3.93Å; Y329-L371 HydrophobicContact CD1-CD1 4.3Å; Y329-L371 HydrophobicContact CD2-CD1 4.28Å; Y329-L371 HydrophobicContact CG-CD1 3.8Å; I357-L371 HydrophobicContact CD1-CD1 4.45Å; I357-L371 HydrophobicContact CD1-CD2 4.19Å; I357-L371 HydrophobicContact CG2-CD2 4.3Å; G367-L371 WeakPolarHBondContact O-CG 3.27Å; G367-L371 PolarHBondContact O-N 2.73Å; G367-L371 VanDerWaalsContact O-N 3.1Å; R368-L371 PolarHBondContact O-N 3Å; L371-A373 PolarHBondContact O-N 3.48Å; L371-F374 PolarHBondContact O-N 3.13Å; L371-F376 HydrophobicContact CB-CB 3.88Å; L371-F376 HydrophobicContact CB-CD1 4.32Å; L371-F376 HydrophobicContact CB-CG 4.04Å; L371-F376 HydrophobicContact CD1-CD1 4.42Å; L371-F376 HydrophobicContact CD1-CE1 4.4Å; L371-F376 HydrophobicContact CD2-CD2 4.43Å; L371-F376 WeakPolarHBondContact O-CB 3.05Å; L371-F376 PolarHBondContact O-N 3.02Å; L371-F378 HydrophobicContact CB-CE2 3.93Å; L371-F378 HydrophobicContact CB-CZ 3.74Å; L371-F378 HydrophobicContact CD1-CZ 4.13Å
372A92.8Very high91.9Very high44 Ų4465 Ų6536%0.36431%0.308SS..Hα-helixtrans-61-32.4177.100000112.1R368 A369 F374 D375 F378R368-A372 WeakPolarHBondContact O-CB 3.4Å; R368-A372 PolarHBondContact O-N 3.08Å; A369-A372 PolarHBondContact O-N 3.29Å; A372-F374 PolarHBondContact O-N 2.93Å; A372-D375 PolarHBondContact O-N 2.64Å; A372-D375 VanDerWaalsContact O-N 3.15Å; A372-F378 HydrophobicContact CB-CD2 4.46Å; A372-F378 HydrophobicContact CB-CE2 4.19Å
373A92.5Very high91.9Very high3 Ų359.1 Ų59.13%0.02528%0.284CS..THydrogen-bonded Turntrans-66.6-18.3174.500000113.7Y208 V213 A369 L370 L371Y208-A373 WeakPolarHBondContact CE1-O 3.21Å; Y208-A373 PolarHBondContact OH-O 3.32Å; V213-A373 HydrophobicContact CB-CB 4.4Å; V213-A373 HydrophobicContact CG1-CB 3.62Å; V213-A373 HydrophobicContact CG2-CB 4.13Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.19Å; L370-A373 PolarHBondContact O-N 3.5Å; L371-A373 PolarHBondContact O-N 3.48Å
374F91.2Very high91.7Very high7 Ų760.2 Ų60.23%0.03128%0.284CS..THydrogen-bonded Turntrans-95.720.4172.8-67.1-68.6000113.4L205 Y208 Y209 V213 W298 F301 I305 L370 L371 A372 F376L205-F374 HydrophobicContact CD2-CB 4.31Å; L205-F374 HydrophobicContact CD2-CD1 3.48Å; L205-F374 VanDerWaalsContact CD2-CD1 3.48Å; L205-F374 HydrophobicContact CD2-CE1 3.93Å; L205-F374 HydrophobicContact CD2-CG 4.04Å; L205-F374 HydrophobicContact CG-CD1 3.81Å; L205-F374 HydrophobicContact CG-CE1 4.11Å; Y208-F374 AromaticContact CD1-CD1 3.96Å; Y208-F374 HydrophobicContact CD1-CD1 3.96Å; Y208-F374 HydrophobicContact CD1-CE1 4.07Å; Y208-F374 HydrophobicContact CE1-CD1 4.17Å; Y209-F374 HydrophobicContact CD2-CE1 4.48Å; Y209-F374 HydrophobicContact CD2-CE2 4.34Å; Y209-F374 AromaticContact CD2-CZ 3.63Å; Y209-F374 HydrophobicContact CD2-CZ 3.63Å; Y209-F374 HydrophobicContact CG-CZ 4.07Å; V213-F374 HydrophobicContact CG2-CD1 4.3Å; V213-F374 HydrophobicContact CG2-CE1 3.99Å; V213-F374 HydrophobicContact CG2-CZ 4.32Å; W298-F374 HydrophobicContact CH2-CE1 4.5Å; W298-F374 AromaticContact CH2-CZ 3.83Å; W298-F374 HydrophobicContact CH2-CZ 3.83Å; W298-F374 AromaticContact CZ3-CE1 3.95Å; W298-F374 HydrophobicContact CZ3-CE1 3.95Å; W298-F374 HydrophobicContact CZ3-CE2 4.37Å; W298-F374 AromaticContact CZ3-CZ 3.62Å; W298-F374 HydrophobicContact CZ3-CZ 3.62Å; F301-F374 HydrophobicContact CE1-CB 4.05Å; F301-F374 HydrophobicContact CE1-CD1 4.39Å; F301-F374 AromaticContact CE1-CD2 3.7Å; F301-F374 HydrophobicContact CE1-CD2 3.7Å; F301-F374 HydrophobicContact CE1-CE2 4.16Å; F301-F374 AromaticContact CE1-CG 3.81Å; F301-F374 HydrophobicContact CE1-CG 3.81Å; F301-F374 HydrophobicContact CZ-CB 4.38Å; F301-F374 HydrophobicContact CZ-CD2 4.21Å; F301-F374 HydrophobicContact CZ-CG 4.47Å; I305-F374 HydrophobicContact CD1-CB 4.11Å; L370-F374 HydrophobicContact CD1-CE2 3.76Å; L370-F374 HydrophobicContact CG-CE2 4.21Å; L370-F374 WeakPolarHBondContact O-CD2 3.31Å; L371-F374 PolarHBondContact O-N 3.13Å; A372-F374 PolarHBondContact O-N 2.93Å; F374-F376 PolarHBondContact O-N 3.13Å; F374-F376 VanDerWaalsContact O-N 3.16Å
375D87.5Confident91.5Very high131 Ų13160.4 Ų60.470%0.70128%0.283SS*.THydrogen-bonded Turntrans54.232.3-173-61.4-42.6000112.8A372A372-D375 PolarHBondContact O-N 2.64Å; A372-D375 VanDerWaalsContact O-N 3.15Å
376F91Very high91.3Very high9 Ų956.3 Ų56.34%0.03926%0.264CS..  trans-61.6126178.6-164-96.7000109.3F301 I305 L318 Y329 M331 I357 L371 F374 F378F301-F376 HydrophobicContact CE2-CD2 4.06Å; F301-F376 HydrophobicContact CE2-CE2 4.04Å; F301-F376 HydrophobicContact CZ-CD2 4.23Å; I305-F376 HydrophobicContact CD1-CD2 4.01Å; I305-F376 HydrophobicContact CG1-CD2 3.87Å; I305-F376 HydrophobicContact CG1-CE2 4.38Å; L318-F376 HydrophobicContact CB-CE1 4.15Å; L318-F376 HydrophobicContact CD1-CD1 4.11Å; L318-F376 HydrophobicContact CD1-CE1 3.28Å; L318-F376 HydrophobicContact CD1-CE2 4.17Å; L318-F376 HydrophobicContact CD1-CZ 3.32Å; L318-F376 HydrophobicContact CG-CE1 4.35Å; Y329-F376 HydrophobicContact CD1-CE1 4.03Å; Y329-F376 AromaticContact CD1-CZ 3.87Å; Y329-F376 HydrophobicContact CD1-CZ 3.87Å; Y329-F376 AromaticContact CE1-CE1 3.6Å; Y329-F376 HydrophobicContact CE1-CE1 3.6Å; Y329-F376 AromaticContact CE1-CZ 3.65Å; Y329-F376 HydrophobicContact CE1-CZ 3.65Å; Y329-F376 AromaticContact CZ-CE1 3.97Å; M331-F376 HydrophobicContact SD-CZ 4.25Å; I357-F376 HydrophobicContact CD1-CE2 3.84Å; I357-F376 HydrophobicContact CD1-CZ 4.07Å; L371-F376 HydrophobicContact CB-CB 3.88Å; L371-F376 HydrophobicContact CB-CD1 4.32Å; L371-F376 HydrophobicContact CB-CG 4.04Å; L371-F376 HydrophobicContact CD1-CD1 4.42Å; L371-F376 HydrophobicContact CD1-CE1 4.4Å; L371-F376 HydrophobicContact CD2-CD2 4.43Å; L371-F376 WeakPolarHBondContact O-CB 3.05Å; L371-F376 PolarHBondContact O-N 3.02Å; F374-F376 PolarHBondContact O-N 3.13Å; F374-F376 VanDerWaalsContact O-N 3.16Å; F376-F378 VanDerWaalsContact C-N 3.26Å; F376-F378 HydrophobicContact CB-CE2 4.17Å; F376-F378 HydrophobicContact CD1-CD1 4.11Å; F376-F378 HydrophobicContact CD1-CD2 4.31Å; F376-F378 AromaticContact CD1-CE1 3.69Å; F376-F378 HydrophobicContact CD1-CE1 3.69Å; F376-F378 AromaticContact CD1-CE2 3.93Å; F376-F378 HydrophobicContact CD1-CE2 3.93Å; F376-F378 HydrophobicContact CD1-CG 4.4Å; F376-F378 AromaticContact CD1-CZ 3.59Å; F376-F378 HydrophobicContact CD1-CZ 3.59Å; F376-F378 HydrophobicContact CE1-CD1 4.49Å; F376-F378 AromaticContact CE1-CE1 3.98Å; F376-F378 HydrophobicContact CE1-CE1 3.98Å; F376-F378 HydrophobicContact CE1-CZ 4.21Å; F376-F378 HydrophobicContact CG-CE2 4.5Å; F376-F378 HydrophobicContact CG-CZ 4.43Å; F376-F378 WeakPolarHBondContact O-CD2 3.38Å; F376-F378 PolarHBondContact O-N 2.92Å
377P88Confident91.1Very high33 Ų3358.2 Ų58.221%0.21427%0.273CS..  trans-81.670.3-16332.4-37.9000111.4V309 F315 G317 L318V309-P377 HydrophobicContact CB-CG 4.37Å; V309-P377 HydrophobicContact CG1-CG 3.54Å; F315-P377 HydrophobicContact CE1-CB 3.84Å; F315-P377 HydrophobicContact CE1-CG 4.15Å; F315-P377 HydrophobicContact CZ-CB 3.78Å; F315-P377 HydrophobicContact CZ-CG 3.73Å; G317-P377 CarbonylContact C-O 3.52Å; G317-P377 VanDerWaalsContact CA-O 3.31Å; G317-P377 WeakPolarHBondContact CA-O 3.4Å; L318-P377 HydrophobicContact CD1-CG 4.18Å; L318-P377 PolarHBondContact N-O 3.17Å
378F91.4Very high90.7Very high38 Ų3862.7 Ų62.717%0.16729%0.294CS..BIsolated β-bridgetrans-62.6145.3172.5-67.7-65.8000110.9L318 A320 F323 Y329 R368 L371 A372 F376 K380L318-F378 CarbonylContact O-C 3.45Å; L318-F378 WeakPolarHBondContact O-CA 3.45Å; A320-F378 HydrophobicContact CB-CD1 4.23Å; F323-F378 AromaticContact CE2-CE1 3.95Å; F323-F378 HydrophobicContact CE2-CE1 3.95Å; F323-F378 HydrophobicContact CE2-CZ 4.1Å; F323-F378 HydrophobicContact CZ-CE1 4.05Å; F323-F378 AromaticContact CZ-CZ 3.81Å; F323-F378 HydrophobicContact CZ-CZ 3.81Å; Y329-F378 HydrophobicContact CD2-CE1 4.44Å; Y329-F378 AromaticContact CE2-CE1 3.96Å; Y329-F378 HydrophobicContact CE2-CE1 3.96Å; R368-F378 HydrophobicContact CG-CE2 4.15Å; R368-F378 HydrophobicContact CG-CZ 4.24Å; L371-F378 HydrophobicContact CB-CE2 3.93Å; L371-F378 HydrophobicContact CB-CZ 3.74Å; L371-F378 HydrophobicContact CD1-CZ 4.13Å; A372-F378 HydrophobicContact CB-CD2 4.46Å; A372-F378 HydrophobicContact CB-CE2 4.19Å; F376-F378 VanDerWaalsContact C-N 3.26Å; F376-F378 HydrophobicContact CB-CE2 4.17Å; F376-F378 HydrophobicContact CD1-CD1 4.11Å; F376-F378 HydrophobicContact CD1-CD2 4.31Å; F376-F378 AromaticContact CD1-CE1 3.69Å; F376-F378 HydrophobicContact CD1-CE1 3.69Å; F376-F378 AromaticContact CD1-CE2 3.93Å; F376-F378 HydrophobicContact CD1-CE2 3.93Å; F376-F378 HydrophobicContact CD1-CG 4.4Å; F376-F378 AromaticContact CD1-CZ 3.59Å; F376-F378 HydrophobicContact CD1-CZ 3.59Å; F376-F378 HydrophobicContact CE1-CD1 4.49Å; F376-F378 AromaticContact CE1-CE1 3.98Å; F376-F378 HydrophobicContact CE1-CE1 3.98Å; F376-F378 HydrophobicContact CE1-CZ 4.21Å; F376-F378 HydrophobicContact CG-CE2 4.5Å; F376-F378 HydrophobicContact CG-CZ 4.43Å; F376-F378 WeakPolarHBondContact O-CD2 3.38Å; F376-F378 PolarHBondContact O-N 2.92Å; F378-K380 PolarHBondContact O-N 3.18Å
379R88.2Confident90.4Very high140 Ų14057.3 Ų57.353%0.52828%0.278SS..  trans-63.5123.2167.4174177.9-88.4-174.6-6.4107.8R316 L318R316-R379 WeakPolarHBondContact O-CB 3.25Å; R316-R379 WeakPolarHBondContact O-CG 3.22Å; R316-R379 PolarHBondContact O-NE 3.49Å; L318-R379 PolarHBondContact O-N 3.26Å
380K76.8Confident90Very high272 Ų27261.5 Ų61.5100%1.18330%0.296SS*.  trans-67.10173.5-68.6-172.5178.7-176.60111.7F378F378-K380 PolarHBondContact O-N 3.18Å

Retrieved 380 of 380 residues in 358.8 ms (Link to these results)

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