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Eukaryotic translation initiation factor 6

Binds to the 60S ribosomal subunit and prevents its association with the 40S ribosomal subunit to form the 80S initiation complex in the cytoplasm1,2,3,4. Behaves as a stimulatory translation initiation factor downstream insulin/growth factors. Is also involved in ribosome biogenesis. Associates with pre-60S subunits in the nucleus and is involved in its nuclear export. Cytoplasmic release of TIF6 from 60S subunits and nuclear relocalization is promoted by a RACK1 (RACK1)-dependent protein kinase C activity5,6,7. In tissues responsive to insulin, controls fatty acid synthesis and glycolysis by exerting translational control of adipogenic transcription factors such as CEBPB, CEBPD and ATF4 that have G/C rich or uORF in their 5'UTR. Required for ROS-dependent megakaryocyte maturation and platelets formation, controls the expression of mitochondrial respiratory chain genes involved in reactive oxygen species (ROS) synthesis (By similarity). Involved in miRNA-mediated gene silencing by the RNA-induced silencing complex (RISC). Required for both miRNA-mediated translational repression and miRNA-mediated cleavage of complementary mRNAs by RISC8. Modulates cell cycle progression and global translation of pre-B cells, its activation seems to be rate-limiting in tumorigenesis and tumor growth (By similarity).

AlphaFold DB , UniProt , Accession P56537, Species HUMAN (Homo sapiens, Human), Gene EIF6, Length 245 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
1M85.2Confident90.5Very high105 Ų10556.7 Ų56.752%0.51729%0.294SS..  0153.50176.9178.5-76.700110.2V3 W202 C203 A204 L224M1-V3 HydrophobicContact CG-CG2 4.47Å; M1-W202 PolarHBondContact N-O 3.21Å; M1-C203 WeakPolarHBondContact O-CA 3.48Å; M1-A204 PolarHBondContact O-N 3.28Å; M1-A204 VanDerWaalsContact O-N 3.1Å; M1-L224 PolarHBondContact N-O 3.16Å
2A87.3Confident90.9Very high10 Ų1056.1 Ų56.18%0.08329%0.288CS..EExtended strand (participates in β ladder)trans-102.7123.2170.500000111.8A204 L215 V218 E219 L224A2-A204 CarbonylContact C-O 3.59Å; A2-A204 WeakPolarHBondContact CA-O 3.44Å; A2-A204 HydrophobicContact CB-CB 4.25Å; A2-L215 HydrophobicContact CB-CD2 4Å; A2-V218 HydrophobicContact CB-CG1 4.34Å; A2-E219 HydrophobicContact CB-CG 3.66Å; A2-E219 PolarHBondContact N-OE1 3Å; A2-L224 HydrophobicContact CB-CD1 4.24Å
3V92.6Very high91.2Very high29 Ų2951.8 Ų51.818%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-108.3141.2-176.6-177.40000110.4M1 V37 E41 A204 F205 C206M1-V3 HydrophobicContact CG-CG2 4.47Å; V3-V37 HydrophobicContact CG1-CG1 3.71Å; V3-E41 HydrophobicContact CG2-CG 4.11Å; V3-A204 PolarHBondContact N-O 3.43Å; V3-F205 HydrophobicContact CB-CD1 4.02Å; V3-F205 HydrophobicContact CB-CE1 4.24Å; V3-F205 HydrophobicContact CG1-CD1 4.43Å; V3-F205 CarbonylContact O-C 3.53Å; V3-F205 VanDerWaalsContact O-CA 3.3Å; V3-F205 WeakPolarHBondContact O-CA 3.36Å; V3-C206 PolarHBondContact O-N 3.21Å
4R94.3Very high91.5Very high92 Ų9248.3 Ų48.335%0.34725%0.249SC..EExtended strand (participates in β ladder)trans-90.6133.9175.5-70.2-176.7-179.498.7-5.4111C206 L208 T210 S212 L215R4-C206 CarbonylContact C-O 3.5Å; R4-C206 VanDerWaalsContact CA-O 3.29Å; R4-C206 WeakPolarHBondContact CA-O 3.23Å; R4-L208 HydrophobicContact CB-CD1 4.41Å; R4-T210 PolarHBondContact NE-O 2.97Å; R4-T210 PolarHBondContact NH2-O 3.33Å; R4-S212 PolarHBondContact NH2-OG 3.31Å; R4-L215 HydrophobicContact CG-CD1 4.07Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å
5A92.9Very high91.7Very high5 Ų545.9 Ų45.94%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-138.2161.5176.900000111.9I13 F34 V37 C206 G207 L208A5-I13 HydrophobicContact CB-CD1 4.26Å; A5-I13 HydrophobicContact CB-CG2 4.23Å; A5-I13 WeakPolarHBondContact O-CG2 3.26Å; A5-F34 HydrophobicContact CB-CD2 4.37Å; A5-F34 HydrophobicContact CB-CE2 4.34Å; A5-V37 HydrophobicContact CB-CG1 4.03Å; A5-C206 PolarHBondContact N-O 3.46Å; A5-G207 CarbonylContact O-C 3.52Å; A5-G207 WeakPolarHBondContact O-CA 3.49Å; A5-L208 PolarHBondContact O-N 2.9Å
6S92.6Very high91.9Very high37 Ų3744.2 Ų44.226%0.25923%0.229SC..  trans-139.7141171.261.60000110.2N10S6-N10 WeakPolarHBondContact CA-O 3.26Å
7F90.1Very high92.1Very high1 Ų141.6 Ų41.60%0.00422%0.215CC..BIsolated β-bridgetrans-106.8109.7174.1-176.3-85.2000109N9 N10 F16 A27 G30 F34F7-N9 VanDerWaalsContact C-N 3.33Å; F7-N9 PolarHBondContact O-N 3.27Å; F7-N10 PolarHBondContact N-O 3.29Å; F7-N10 WeakPolarHBondContact O-CA 3.27Å; F7-N10 WeakPolarHBondContact O-CB 3.26Å; F7-N10 PolarHBondContact O-N 3.46Å; F7-F16 HydrophobicContact CB-CB 4.49Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.09Å; F7-F16 HydrophobicContact CB-CG 4.14Å; F7-F16 HydrophobicContact CD1-CB 4.49Å; F7-F16 AromaticContact CD1-CD1 3.74Å; F7-F16 HydrophobicContact CD1-CD1 3.74Å; F7-F16 AromaticContact CD1-CD2 3.7Å; F7-F16 HydrophobicContact CD1-CD2 3.7Å; F7-F16 AromaticContact CD1-CE1 3.78Å; F7-F16 HydrophobicContact CD1-CE1 3.78Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.7Å; F7-F16 HydrophobicContact CD1-CG 3.7Å; F7-F16 AromaticContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD2-CB 3.85Å; F7-F16 HydrophobicContact CD2-CD1 4.43Å; F7-F16 HydrophobicContact CD2-CD2 4.33Å; F7-F16 AromaticContact CD2-CG 3.95Å; F7-F16 HydrophobicContact CD2-CG 3.95Å; F7-F16 AromaticContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD2 4.47Å; F7-F16 AromaticContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CG 4.06Å; F7-F16 HydrophobicContact CE1-CZ 4.16Å; F7-F16 HydrophobicContact CE2-CB 4.15Å; F7-F16 HydrophobicContact CE2-CD1 4.35Å; F7-F16 HydrophobicContact CE2-CG 4.27Å; F7-F16 HydrophobicContact CG-CB 4.03Å; F7-F16 HydrophobicContact CG-CD1 4.14Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.09Å; F7-F16 AromaticContact CG-CG 3.65Å; F7-F16 HydrophobicContact CG-CG 3.65Å; F7-F16 AromaticContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CE1 4.45Å; F7-F16 HydrophobicContact CZ-CG 4.33Å; F7-A27 HydrophobicContact CE2-CB 4.1Å; F7-A27 HydrophobicContact CZ-CB 4.33Å; F7-G30 VanDerWaalsContact CZ-CA 3.46Å; F7-F34 HydrophobicContact CB-CD2 3.95Å; F7-F34 HydrophobicContact CB-CE2 4.03Å; F7-F34 HydrophobicContact CB-CG 4.37Å; F7-F34 HydrophobicContact CD2-CB 4.32Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.19Å; F7-F34 AromaticContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE2 4.41Å; F7-F34 AromaticContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CD1 4.28Å
8E88.6Confident92.4Very high98 Ų9841.2 Ų41.246%0.45821%0.211SC..THydrogen-bonded Turntrans50.445.2179.2-59.2-175.9153.900114.2N10 R57E8-N10 PolarHBondContact O-N 2.74Å; E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.39Å; E8-R57 PolarHBondContact OE1-NH1 2.73Å; E8-R57 IonicContact OE2-CZ 3.6Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.24Å; E8-R57 IonicContact OE2-NH2 3.03Å; E8-R57 PolarHBondContact OE2-NH2 3Å
9N87.3Confident92.6Very high162 Ų16239.5 Ų39.587%0.86620%0.203SC*.THydrogen-bonded Turntrans63.714.9-172.6-56.3-39000115.2F7F7-N9 VanDerWaalsContact C-N 3.33Å; F7-N9 PolarHBondContact O-N 3.27Å
10N91.6Very high92.7Very high68 Ų6837.9 Ų37.936%0.36420%0.195SC..BIsolated β-bridgetrans-100.9129.5170.5-163.9-20.9000110.4S6 F7 E8 E12 F16S6-N10 WeakPolarHBondContact CA-O 3.26Å; F7-N10 PolarHBondContact N-O 3.29Å; F7-N10 WeakPolarHBondContact O-CA 3.27Å; F7-N10 WeakPolarHBondContact O-CB 3.26Å; F7-N10 PolarHBondContact O-N 3.46Å; E8-N10 PolarHBondContact O-N 2.74Å; N10-E12 VanDerWaalsContact C-N 3.35Å; N10-E12 WeakPolarHBondContact OD1-CB 3.46Å; N10-E12 WeakPolarHBondContact OD1-CG 3.4Å; N10-E12 PolarHBondContact OD1-N 3.46Å; N10-F16 HydrophobicContact CB-CE2 4.23Å
11C93.3Very high92.8Very high17 Ų1737.4 Ų37.412%0.11519%0.193CC..SBendtrans-84.9-9.1178.4-64.80000112.8I13 N187 G207 D209C11-I13 PolarHBondContact O-N 3.26Å; C11-N187 HydrophobicContact CB-CB 4.46Å; C11-N187 PolarHBondContact O-ND2 3.02Å; C11-G207 WeakPolarHBondContact O-CA 3.36Å; C11-D209 HydrophobicContact CB-CB 4.37Å; C11-D209 PolarHBondContact SG-OD2 2.87Å
12E94.8Very high93.2Very high49 Ų4934 Ų3423%0.22918%0.178CC..  trans-81.558.8178.6-53.4-64.8-163.300112.1N10 G14 C15 F16 N187 A195 G196N10-E12 VanDerWaalsContact C-N 3.35Å; N10-E12 WeakPolarHBondContact OD1-CB 3.46Å; N10-E12 WeakPolarHBondContact OD1-CG 3.4Å; N10-E12 PolarHBondContact OD1-N 3.46Å; E12-G14 VanDerWaalsContact C-N 3.25Å; E12-G14 PolarHBondContact O-N 2.88Å; E12-C15 VanDerWaalsContact O-CB 3.24Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 3.11Å; E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.47Å; E12-F16 WeakPolarHBondContact O-CE2 3.47Å; E12-N187 PolarHBondContact OE2-ND2 2.88Å; E12-N187 VanDerWaalsContact OE2-ND2 3.15Å; E12-A195 CarbonylContact C-O 3.53Å; E12-A195 WeakPolarHBondContact CA-O 3.33Å; E12-A195 HydrophobicContact CB-CB 4.11Å; E12-A195 HydrophobicContact CG-CB 4.2Å; E12-A195 WeakPolarHBondContact OE2-CB 3.39Å; E12-G196 VanDerWaalsContact OE2-CA 3.26Å; E12-G196 WeakPolarHBondContact OE2-CA 3.36Å; E12-G196 PolarHBondContact OE2-N 3.23Å; E12-G196 VanDerWaalsContact OE2-N 3.1Å
13I94.7Very high93.6Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-61.6-29.6-174.160.4162.3000113.8A5 C11 C15 F16 A17 F34 A195 F205 C206A5-I13 HydrophobicContact CB-CD1 4.26Å; A5-I13 HydrophobicContact CB-CG2 4.23Å; A5-I13 WeakPolarHBondContact O-CG2 3.26Å; C11-I13 PolarHBondContact O-N 3.26Å; I13-C15 PolarHBondContact O-N 2.99Å; I13-F16 CarbonylContact O-C 3.49Å; I13-F16 PolarHBondContact O-N 3.15Å; I13-A17 PolarHBondContact O-N 2.79Å; I13-F34 HydrophobicContact CB-CE2 3.86Å; I13-F34 HydrophobicContact CB-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE2 3.73Å; I13-A195 PolarHBondContact N-O 2.9Å; I13-F205 VanDerWaalsContact CD1-C 3.45Å; I13-F205 HydrophobicContact CD1-CB 3.62Å; I13-F205 WeakPolarHBondContact CD1-O 3.49Å; I13-C206 WeakPolarHBondContact CD1-O 3.39Å
14G95.6Very high93.8Very high3 Ų332.2 Ų32.23%0.03117%0.166CC..Hα-helixtrans-72.2-10.8176.200000113.2E12 F16 G60 A194 A195E12-G14 VanDerWaalsContact C-N 3.25Å; E12-G14 PolarHBondContact O-N 2.88Å; G14-F16 VanDerWaalsContact C-N 3.31Å; G14-G60 WeakPolarHBondContact O-CA 3.04Å; G14-A194 CarbonylContact C-O 3.55Å; G14-A194 WeakPolarHBondContact CA-O 3.39Å; G14-A195 WeakPolarHBondContact CA-O 3.33Å; G14-A195 PolarHBondContact N-O 3.41Å
15C94.7Very high93.9Very high13 Ų1327.8 Ų27.89%0.08815%0.149CC..Hα-helixtrans-69.6-33.3164.1-57.30000111.7E12 I13 I58 I59 G60 R61E12-C15 VanDerWaalsContact O-CB 3.24Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 3.11Å; I13-C15 PolarHBondContact O-N 2.99Å; C15-I58 HydrophobicContact CB-CG2 4.41Å; C15-I58 CarbonylContact O-C 3.58Å; C15-I58 WeakPolarHBondContact O-CA 3.47Å; C15-I59 PolarHBondContact O-N 3.46Å; C15-I59 VanDerWaalsContact O-N 3.14Å; C15-G60 PolarHBondContact O-N 2.96Å; C15-R61 HydrophobicContact CB-CG 4.13Å; C15-R61 PolarHBondContact SG-NE 2.89Å; C15-R61 PolarHBondContact SG-NH2 2.64Å; C15-R61 VanDerWaalsContact SG-NH2 3.44Å
16F95.3Very high93.9Very high18 Ų1827.6 Ų27.68%0.07915%0.147CC..Hα-helixtrans-105.7-2.3-169.7-52.8-75.2000113.8F7 N10 E12 I13 G14 A27 F34 R57 I58 I59F7-F16 HydrophobicContact CB-CB 4.49Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.09Å; F7-F16 HydrophobicContact CB-CG 4.14Å; F7-F16 HydrophobicContact CD1-CB 4.49Å; F7-F16 AromaticContact CD1-CD1 3.74Å; F7-F16 HydrophobicContact CD1-CD1 3.74Å; F7-F16 AromaticContact CD1-CD2 3.7Å; F7-F16 HydrophobicContact CD1-CD2 3.7Å; F7-F16 AromaticContact CD1-CE1 3.78Å; F7-F16 HydrophobicContact CD1-CE1 3.78Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.7Å; F7-F16 HydrophobicContact CD1-CG 3.7Å; F7-F16 AromaticContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD2-CB 3.85Å; F7-F16 HydrophobicContact CD2-CD1 4.43Å; F7-F16 HydrophobicContact CD2-CD2 4.33Å; F7-F16 AromaticContact CD2-CG 3.95Å; F7-F16 HydrophobicContact CD2-CG 3.95Å; F7-F16 AromaticContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD2 4.47Å; F7-F16 AromaticContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CG 4.06Å; F7-F16 HydrophobicContact CE1-CZ 4.16Å; F7-F16 HydrophobicContact CE2-CB 4.15Å; F7-F16 HydrophobicContact CE2-CD1 4.35Å; F7-F16 HydrophobicContact CE2-CG 4.27Å; F7-F16 HydrophobicContact CG-CB 4.03Å; F7-F16 HydrophobicContact CG-CD1 4.14Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.09Å; F7-F16 AromaticContact CG-CG 3.65Å; F7-F16 HydrophobicContact CG-CG 3.65Å; F7-F16 AromaticContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CE1 4.45Å; F7-F16 HydrophobicContact CZ-CG 4.33Å; N10-F16 HydrophobicContact CB-CE2 4.23Å; E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.47Å; E12-F16 WeakPolarHBondContact O-CE2 3.47Å; I13-F16 CarbonylContact O-C 3.49Å; I13-F16 PolarHBondContact O-N 3.15Å; G14-F16 VanDerWaalsContact C-N 3.31Å; F16-A27 HydrophobicContact CB-CB 3.98Å; F16-A27 HydrophobicContact CD1-CB 4.38Å; F16-A27 WeakPolarHBondContact O-CB 3.07Å; F16-A27 PolarHBondContact O-N 3.01Å; F16-F34 HydrophobicContact CB-CE1 4.49Å; F16-F34 HydrophobicContact CB-CZ 4.36Å; F16-R57 HydrophobicContact CD1-CB 4.36Å; F16-I58 HydrophobicContact CE1-CG2 4.15Å; F16-I59 WeakPolarHBondContact O-CD1 3.48Å; F16-I59 VanDerWaalsContact O-CG1 3.3Å; F16-I59 WeakPolarHBondContact O-CG1 3.47Å
17A95.4Very high93.9Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-137.1149.6178.100000110.9I13 L25 V26 F34 F38 G60 V198I13-A17 PolarHBondContact O-N 2.79Å; A17-L25 CarbonylContact C-O 3.59Å; A17-L25 VanDerWaalsContact CA-O 3.22Å; A17-L25 WeakPolarHBondContact CA-O 3.27Å; A17-V26 HydrophobicContact CB-CG1 4.24Å; A17-F34 HydrophobicContact CB-CE1 4.46Å; A17-F34 HydrophobicContact CB-CZ 4.13Å; A17-F38 HydrophobicContact CB-CE1 3.94Å; A17-F38 HydrophobicContact CB-CE2 4.47Å; A17-F38 HydrophobicContact CB-CZ 3.73Å; A17-G60 WeakPolarHBondContact O-CA 3.4Å; A17-V198 HydrophobicContact CB-CG2 4.46Å
18K96Very high93.9Very high34 Ų3429.4 Ų29.415%0.14815%0.154CC..EExtended strand (participates in β ladder)trans-129117.1166.4-174.166.4178.3-178.70108.3C24 L25K18-C24 CarbonylContact O-C 2.91Å; K18-C24 WeakPolarHBondContact O-CA 3.28Å; K18-L25 HydrophobicContact CB-CB 4.3Å; K18-L25 PolarHBondContact N-O 3.4Å; K18-L25 PolarHBondContact O-N 2.94Å
19L96.2Very high93.5Very high10 Ų1027 Ų275%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-104.2135.3-178.8-176.560.5000110.1C24 L42 I46 V198 N200 F205L19-C24 HydrophobicContact CD1-CB 3.79Å; L19-L42 HydrophobicContact CD1-CD1 3.61Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; L19-I46 HydrophobicContact CD1-CD1 3.81Å; L19-V198 HydrophobicContact CB-CB 3.93Å; L19-V198 HydrophobicContact CB-CG2 4.07Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; L19-N200 HydrophobicContact CD2-CB 4.01Å; L19-N200 HydrophobicContact CG-CB 3.94Å; L19-F205 HydrophobicContact CD2-CD2 3.88Å; L19-F205 HydrophobicContact CD2-CE2 3.91Å
20T95.9Very high92.8Very high6 Ų620 Ų204%0.03712%0.121CC..  trans-131.8177.2171.675.30000109.6T22 Y23 I46T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.16Å; T20-T22 PolarHBondContact OG1-N 2.87Å; T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.05Å; T20-Y23 HydrophobicContact CG2-CE2 3.75Å; T20-Y23 PolarHBondContact N-O 3.33Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.32Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.32Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; T20-Y23 PolarHBondContact OG1-O 3.22Å; T20-I46 WeakPolarHBondContact O-CD1 3.22Å
21N94.1Very high91.9Very high28 Ų2818.8 Ų18.815%0.1512%0.118CC..SBendtrans-75.1-7.4174.4-75.4-24.5000114.3I46 R67 D112 N156 N200 D201 W202N21-I46 WeakPolarHBondContact O-CG2 3.42Å; N21-R67 HydrophobicContact CB-CB 4.36Å; N21-D112 PolarHBondContact ND2-OD2 3.25Å; N21-N156 PolarHBondContact ND2-ND2 3.44Å; N21-N200 WeakPolarHBondContact OD1-CB 3.36Å; N21-D201 VanDerWaalsContact ND2-CG 3.26Å; N21-D201 PolarHBondContact ND2-OD2 3.41Å; N21-D201 PolarHBondContact OD1-N 3.21Å; N21-D201 VanDerWaalsContact OD1-N 3.11Å; N21-W202 HydrophobicContact CB-CH2 4.38Å; N21-W202 HydrophobicContact CB-CZ3 3.99Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.37Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.3Å
22T94.7Very high91.4Very high35 Ų3525.4 Ų25.422%0.21515%0.147CC..SBendtrans-127.6-16.2-176.549.40000114.5T20 P47 R67T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.16Å; T20-T22 PolarHBondContact OG1-N 2.87Å; T22-P47 WeakPolarHBondContact O-CD 3.3Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 WeakPolarHBondContact OG1-CA 3.48Å
23Y95.9Very high90.9Very high0 Ų029 Ų290%017%0.168CC..  trans-160.2157.5178.461.5-91000110T20 L25 N66 G69 L70 L88 V92T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.05Å; T20-Y23 HydrophobicContact CG2-CE2 3.75Å; T20-Y23 PolarHBondContact N-O 3.33Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.32Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.32Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; T20-Y23 PolarHBondContact OG1-O 3.22Å; Y23-L25 HydrophobicContact CD2-CD2 4.06Å; Y23-L25 HydrophobicContact CD2-CG 4.03Å; Y23-L25 HydrophobicContact CE2-CD1 4.37Å; Y23-L25 HydrophobicContact CE2-CD2 4.38Å; Y23-L25 HydrophobicContact CE2-CG 4.05Å; Y23-N66 WeakPolarHBondContact CE1-O 3.33Å; Y23-N66 PolarHBondContact OH-O 3.41Å; Y23-G69 PolarHBondContact OH-O 2.64Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; Y23-L70 HydrophobicContact CE2-CD1 4.19Å; Y23-L70 WeakPolarHBondContact OH-CB 3.44Å; Y23-L88 HydrophobicContact CD1-CD2 3.74Å; Y23-L88 HydrophobicContact CD2-CD2 3.43Å; Y23-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 3.98Å; Y23-L88 HydrophobicContact CG-CD2 3.3Å; Y23-V92 HydrophobicContact CD1-CG1 4.14Å; Y23-V92 HydrophobicContact CD1-CG2 3.86Å; Y23-V92 HydrophobicContact CE1-CB 4.35Å; Y23-V92 HydrophobicContact CE1-CG1 3.52Å; Y23-V92 HydrophobicContact CE1-CG2 3.91Å
24C95.8Very high90.6Very high0 Ų029 Ų290%017%0.168CC..EExtended strand (participates in β ladder)trans-123.5131.6169.9-176.20000109K18 L19 L42 I46 P47 V48 V49K18-C24 CarbonylContact O-C 2.91Å; K18-C24 WeakPolarHBondContact O-CA 3.28Å; L19-C24 HydrophobicContact CD1-CB 3.79Å; C24-L42 HydrophobicContact CB-CD1 3.8Å; C24-I46 HydrophobicContact CB-CD1 4.29Å; C24-P47 PolarHBondContact N-O 3.05Å; C24-V48 HydrophobicContact CB-CG2 4.31Å; C24-V48 CarbonylContact O-C 3.4Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; C24-V49 PolarHBondContact O-N 2.92Å
25L95.4Very high90.3Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-99.1135.6168.6-54.4-179000108.6A17 K18 Y23 V49 I59 L70 I84 L88A17-L25 CarbonylContact C-O 3.59Å; A17-L25 VanDerWaalsContact CA-O 3.22Å; A17-L25 WeakPolarHBondContact CA-O 3.27Å; K18-L25 HydrophobicContact CB-CB 4.3Å; K18-L25 PolarHBondContact N-O 3.4Å; K18-L25 PolarHBondContact O-N 2.94Å; Y23-L25 HydrophobicContact CD2-CD2 4.06Å; Y23-L25 HydrophobicContact CD2-CG 4.03Å; Y23-L25 HydrophobicContact CE2-CD1 4.37Å; Y23-L25 HydrophobicContact CE2-CD2 4.38Å; Y23-L25 HydrophobicContact CE2-CG 4.05Å; L25-V49 WeakPolarHBondContact CA-O 3.47Å; L25-V49 HydrophobicContact CD2-CB 3.84Å; L25-V49 HydrophobicContact CD2-CG1 4.24Å; L25-V49 HydrophobicContact CD2-CG2 4.43Å; L25-I59 HydrophobicContact CB-CD1 3.6Å; L25-I59 VanDerWaalsContact O-CD1 3.3Å; L25-I59 WeakPolarHBondContact O-CD1 3.36Å; L25-L70 HydrophobicContact CD1-CD1 3.81Å; L25-L70 HydrophobicContact CD1-CD2 3.68Å; L25-L70 HydrophobicContact CD1-CG 4.42Å; L25-I84 HydrophobicContact CD2-CG2 4.36Å; L25-L88 HydrophobicContact CD2-CD2 4.28Å
26V94.5Very high90.1Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-130.4143.3175.5-72.80000109.8A17 F34 Y35 F38 V48 V49 H50 A51 I59A17-V26 HydrophobicContact CB-CG1 4.24Å; V26-F34 HydrophobicContact CB-CE1 4.44Å; V26-F34 HydrophobicContact CG1-CE1 4.21Å; V26-Y35 HydrophobicContact CB-CD1 4.37Å; V26-Y35 HydrophobicContact CB-CE1 4.47Å; V26-Y35 HydrophobicContact CG2-CD1 4.19Å; V26-Y35 HydrophobicContact CG2-CE1 4.41Å; V26-F38 HydrophobicContact CG1-CB 4.37Å; V26-F38 HydrophobicContact CG1-CD1 4.25Å; V26-F38 HydrophobicContact CG1-CD2 4.39Å; V26-F38 HydrophobicContact CG1-CG 4.07Å; V26-V48 HydrophobicContact CB-CG1 4.49Å; V26-V48 HydrophobicContact CG1-CG1 4.07Å; V26-V48 HydrophobicContact CG2-CG1 3.54Å; V26-V49 WeakPolarHBondContact CG2-O 3.49Å; V26-V49 PolarHBondContact N-O 2.91Å; V26-H50 WeakPolarHBondContact CG2-CD2 3.43Å; V26-H50 CarbonylContact O-C 2.89Å; V26-H50 WeakPolarHBondContact O-CA 3.28Å; V26-A51 PolarHBondContact O-N 3.49Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å
27A92.8Very high89.9Confident0 Ų034.2 Ų34.20%020%0.2CC..EExtended strand (participates in β ladder)trans-65.3135.1-175.600000112.5F7 F16 Y35 A51 R57 I59F7-A27 HydrophobicContact CE2-CB 4.1Å; F7-A27 HydrophobicContact CZ-CB 4.33Å; F16-A27 HydrophobicContact CB-CB 3.98Å; F16-A27 HydrophobicContact CD1-CB 4.38Å; F16-A27 WeakPolarHBondContact O-CB 3.07Å; F16-A27 PolarHBondContact O-N 3.01Å; A27-Y35 VanDerWaalsContact O-CE1 3.27Å; A27-Y35 WeakPolarHBondContact O-CE1 3.18Å; A27-Y35 PolarHBondContact O-OH 3.44Å; A27-A51 WeakPolarHBondContact CA-O 3.4Å; A27-R57 HydrophobicContact CB-CB 4.02Å; A27-R57 WeakPolarHBondContact CB-O 3.46Å; A27-I59 HydrophobicContact CB-CG1 4.43Å
28I89Confident89.8Confident77 Ų7734.2 Ų34.240%0.39520%0.2SC..THydrogen-bonded Turntrans-65145.5171.9-65.3165.9000111H50 A51 R57I28-H50 HydrophobicContact CG1-CB 4.06Å; I28-A51 PolarHBondContact N-O 3.03Å; I28-R57 VanDerWaalsContact O-CD 3.26Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å; I28-R57 WeakPolarHBondContact O-CG 3.26Å
29G81.2Confident89.6Confident48 Ų4836.1 Ų36.150%0.49521%0.209SC..THydrogen-bonded Turntrans79.611.9171.400000115.6Y35G29-Y35 PolarHBondContact N-OH 3.46Å
30G71.3Confident89.3Confident14 Ų1438.2 Ų38.214%0.14423%0.233CC..  trans-70.7175.5164.900000114.2F7 Y35F7-G30 VanDerWaalsContact CZ-CA 3.46Å; G30-Y35 WeakPolarHBondContact CA-OH 3.28Å; G30-Y35 PolarHBondContact N-OH 2.79Å; G30-Y35 WeakPolarHBondContact O-CE2 3.34Å
31S74.4Confident88.9Confident42 Ų4242.5 Ų42.529%0.29425%0.253SS..  trans-68.5141.8173.877.50000110.7N33 F34S31-N33 PolarHBondContact O-N 3.02Å; S31-F34 WeakPolarHBondContact O-CB 3.22Å; S31-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact OG-N 3.25Å
32E81.2Confident88.8Confident157 Ų15741.1 Ų41.173%0.73425%0.246SC*.Hα-helixtrans-54-28.2174-69.5-177.7166.800112.3F34 Y35 S36E32-F34 VanDerWaalsContact C-N 3.35Å; E32-F34 PolarHBondContact O-N 3.4Å; E32-Y35 PolarHBondContact O-N 2.97Å; E32-S36 WeakPolarHBondContact O-CB 3.5Å; E32-S36 PolarHBondContact O-N 3Å; E32-S36 PolarHBondContact O-OG 3.13Å
33N85.5Confident88.4Confident123 Ų12343 Ų4366%0.65826%0.26SS*.Hα-helixtrans-62-40174.2-64-13.7000112.3S31 V37S31-N33 PolarHBondContact O-N 3.02Å; N33-V37 WeakPolarHBondContact O-CG2 3.44Å; N33-V37 PolarHBondContact O-N 2.77Å
34F88Confident88Confident2 Ų250.3 Ų50.31%0.00930%0.299CS..Hα-helixtrans-64.1-45.5177.9-176.1-104.5000110.7A5 F7 I13 F16 A17 V26 S31 E32 V37 F38A5-F34 HydrophobicContact CB-CD2 4.37Å; A5-F34 HydrophobicContact CB-CE2 4.34Å; F7-F34 HydrophobicContact CB-CD2 3.95Å; F7-F34 HydrophobicContact CB-CE2 4.03Å; F7-F34 HydrophobicContact CB-CG 4.37Å; F7-F34 HydrophobicContact CD2-CB 4.32Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.19Å; F7-F34 AromaticContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE2 4.41Å; F7-F34 AromaticContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CD1 4.28Å; I13-F34 HydrophobicContact CB-CE2 3.86Å; I13-F34 HydrophobicContact CB-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE2 3.73Å; F16-F34 HydrophobicContact CB-CE1 4.49Å; F16-F34 HydrophobicContact CB-CZ 4.36Å; A17-F34 HydrophobicContact CB-CE1 4.46Å; A17-F34 HydrophobicContact CB-CZ 4.13Å; V26-F34 HydrophobicContact CB-CE1 4.44Å; V26-F34 HydrophobicContact CG1-CE1 4.21Å; S31-F34 WeakPolarHBondContact O-CB 3.22Å; S31-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact OG-N 3.25Å; E32-F34 VanDerWaalsContact C-N 3.35Å; E32-F34 PolarHBondContact O-N 3.4Å; F34-V37 PolarHBondContact O-N 2.84Å; F34-F38 HydrophobicContact CD1-CD2 4.44Å; F34-F38 HydrophobicContact CD1-CE2 4.46Å; F34-F38 HydrophobicContact CD2-CE2 4.17Å; F34-F38 HydrophobicContact CE1-CD2 4.14Å; F34-F38 AromaticContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE2-CD2 4.29Å; F34-F38 AromaticContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CZ 4.35Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.33Å; F34-F38 HydrophobicContact CZ-CE2 3.33Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.41Å; F34-F38 PolarHBondContact O-N 2.71Å
35Y88.7Confident87.7Confident29 Ų2954.9 Ų54.911%0.11433%0.327CS..Hα-helixtrans-64.5-45.1178.4-49.9-45.5000112.2V26 A27 G29 G30 E32 V37 F38 E39 H50V26-Y35 HydrophobicContact CB-CD1 4.37Å; V26-Y35 HydrophobicContact CB-CE1 4.47Å; V26-Y35 HydrophobicContact CG2-CD1 4.19Å; V26-Y35 HydrophobicContact CG2-CE1 4.41Å; A27-Y35 VanDerWaalsContact O-CE1 3.27Å; A27-Y35 WeakPolarHBondContact O-CE1 3.18Å; A27-Y35 PolarHBondContact O-OH 3.44Å; G29-Y35 PolarHBondContact N-OH 3.46Å; G30-Y35 WeakPolarHBondContact CA-OH 3.28Å; G30-Y35 PolarHBondContact N-OH 2.79Å; G30-Y35 WeakPolarHBondContact O-CE2 3.34Å; E32-Y35 PolarHBondContact O-N 2.97Å; Y35-V37 PolarHBondContact O-N 2.81Å; Y35-V37 VanDerWaalsContact O-N 3.13Å; Y35-F38 PolarHBondContact O-N 2.91Å; Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 PolarHBondContact O-N 2.97Å; Y35-H50 AromaticContact CD1-CD2 3.65Å; Y35-H50 AromaticContact CD1-NE2 3.44Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.3Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.6Å; Y35-H50 AromaticContact CE1-NE2 3.87Å; Y35-H50 AromaticContact CG-NE2 3.49Å
36S90Very high87.6Confident70 Ų7055.3 Ų55.349%0.4933%0.329SS..Hα-helixtrans-57.5-32.1-179.1-59.10000112.3E32 G40E32-S36 WeakPolarHBondContact O-CB 3.5Å; E32-S36 PolarHBondContact O-N 3Å; E32-S36 PolarHBondContact O-OG 3.13Å; S36-G40 WeakPolarHBondContact O-CA 3.27Å; S36-G40 PolarHBondContact O-N 3.42Å
37V92.2Very high87.6Confident43 Ų4357.9 Ų57.926%0.26135%0.346SS..Hα-helixtrans-69.6-43.9175.9173.30000111.6V3 A5 N33 F34 Y35 F205V3-V37 HydrophobicContact CG1-CG1 3.71Å; A5-V37 HydrophobicContact CB-CG1 4.03Å; N33-V37 WeakPolarHBondContact O-CG2 3.44Å; N33-V37 PolarHBondContact O-N 2.77Å; F34-V37 PolarHBondContact O-N 2.84Å; Y35-V37 PolarHBondContact O-N 2.81Å; Y35-V37 VanDerWaalsContact O-N 3.13Å; V37-F205 HydrophobicContact CG1-CD1 3.97Å; V37-F205 HydrophobicContact CG1-CE1 3.91Å
38F92.3Very high87.7Confident0 Ų059.1 Ų59.10%035%0.353CS..Hα-helixtrans-71.2-47.2177.5-80.5-96.8000111.4A17 V26 F34 Y35 G40 E41 L42 V48 V198 F205A17-F38 HydrophobicContact CB-CE1 3.94Å; A17-F38 HydrophobicContact CB-CE2 4.47Å; A17-F38 HydrophobicContact CB-CZ 3.73Å; V26-F38 HydrophobicContact CG1-CB 4.37Å; V26-F38 HydrophobicContact CG1-CD1 4.25Å; V26-F38 HydrophobicContact CG1-CD2 4.39Å; V26-F38 HydrophobicContact CG1-CG 4.07Å; F34-F38 HydrophobicContact CD1-CD2 4.44Å; F34-F38 HydrophobicContact CD1-CE2 4.46Å; F34-F38 HydrophobicContact CD2-CE2 4.17Å; F34-F38 HydrophobicContact CE1-CD2 4.14Å; F34-F38 AromaticContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE2-CD2 4.29Å; F34-F38 AromaticContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CZ 4.35Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.33Å; F34-F38 HydrophobicContact CZ-CE2 3.33Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.41Å; F34-F38 PolarHBondContact O-N 2.71Å; Y35-F38 PolarHBondContact O-N 2.91Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-G40 PolarHBondContact O-N 3.3Å; F38-E41 PolarHBondContact O-N 2.97Å; F38-L42 HydrophobicContact CB-CD1 4.34Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.15Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 3.38Å; F38-V48 HydrophobicContact CB-CG1 4.43Å; F38-V198 HydrophobicContact CE1-CG2 3.84Å; F38-V198 HydrophobicContact CZ-CG2 3.94Å; F38-F205 HydrophobicContact CD1-CD1 4.38Å; F38-F205 AromaticContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CE1 4.22Å; F38-F205 AromaticContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CG 4.26Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD2-CD1 4.46Å; F38-F205 HydrophobicContact CE1-CB 4.21Å; F38-F205 HydrophobicContact CE1-CD1 4.16Å; F38-F205 AromaticContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CE1 4.44Å; F38-F205 AromaticContact CE1-CE2 3.85Å; F38-F205 HydrophobicContact CE1-CE2 3.85Å; F38-F205 AromaticContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CZ 4.29Å; F38-F205 HydrophobicContact CE2-CD1 4.23Å; F38-F205 HydrophobicContact CE2-CG 4.31Å; F38-F205 HydrophobicContact CG-CE1 4.29Å; F38-F205 HydrophobicContact CG-CZ 4.33Å; F38-F205 HydrophobicContact CZ-CB 3.85Å; F38-F205 HydrophobicContact CZ-CD1 4.09Å; F38-F205 HydrophobicContact CZ-CD2 4.04Å; F38-F205 AromaticContact CZ-CG 3.71Å; F38-F205 HydrophobicContact CZ-CG 3.71Å
39E91.7Very high87.9Confident75 Ų7555.8 Ų55.835%0.3534%0.337SS..Hα-helixtrans-62.8-40.2178.8-70.3-177.416200111.7Y35 E41 L42 S43 V48 H50Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 PolarHBondContact O-N 2.97Å; E39-E41 PolarHBondContact O-N 3.29Å; E39-L42 PolarHBondContact O-N 2.9Å; E39-S43 WeakPolarHBondContact O-CB 3.3Å; E39-S43 PolarHBondContact O-N 3.36Å; E39-S43 PolarHBondContact O-OG 3.47Å; E39-V48 HydrophobicContact CG-CB 4.09Å; E39-V48 HydrophobicContact CG-CG1 4.12Å; E39-V48 HydrophobicContact CG-CG2 4.23Å; E39-H50 IonicContact OE1-CE1 2.79Å
40G90.2Very high88.5Confident54 Ų5456.5 Ų56.556%0.55733%0.327SS*.Hα-helixtrans-60.1-30179.300000114.2S36 F38S36-G40 WeakPolarHBondContact O-CA 3.27Å; S36-G40 PolarHBondContact O-N 3.42Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-G40 PolarHBondContact O-N 3.3Å
41E88.8Confident89.6Confident95 Ų9555.8 Ų55.844%0.44432%0.32SS..Hα-helixtrans-100-26.9-179.9-64-64.6143.200113.2V3 F38 E39 F205V3-E41 HydrophobicContact CG2-CG 4.11Å; F38-E41 PolarHBondContact O-N 2.97Å; E39-E41 PolarHBondContact O-N 3.29Å; E41-F205 HydrophobicContact CB-CE1 4.27Å; E41-F205 HydrophobicContact CB-CZ 3.87Å; E41-F205 HydrophobicContact CG-CE1 4.16Å; E41-F205 HydrophobicContact CG-CZ 4.26Å
42L91.5Very high90.5Very high0 Ų055.1 Ų55.10%032%0.315CS..Hα-helixtrans-110.3-27.4-168.5-61.6176.3000114.5L19 C24 F38 E39 D44 T45 I46 V48 C203 F205L19-L42 HydrophobicContact CD1-CD1 3.61Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; C24-L42 HydrophobicContact CB-CD1 3.8Å; F38-L42 HydrophobicContact CB-CD1 4.34Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.15Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 3.38Å; E39-L42 PolarHBondContact O-N 2.9Å; L42-D44 PolarHBondContact O-N 3.36Å; L42-D44 VanDerWaalsContact O-N 3.07Å; L42-T45 PolarHBondContact O-N 2.88Å; L42-I46 HydrophobicContact CB-CD1 4.47Å; L42-I46 HydrophobicContact CB-CG1 3.91Å; L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CD2-CD1 3.94Å; L42-I46 HydrophobicContact CD2-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.43Å; L42-I46 PolarHBondContact O-N 3.27Å; L42-V48 HydrophobicContact CB-CG2 3.87Å; L42-V48 HydrophobicContact CD1-CG2 4.25Å; L42-C203 WeakPolarHBondContact CD2-SG 3.29Å; L42-F205 HydrophobicContact CD1-CE2 3.95Å; L42-F205 HydrophobicContact CD1-CZ 4.08Å; L42-F205 HydrophobicContact CD2-CE2 4.33Å; L42-F205 HydrophobicContact CD2-CZ 4.47Å; L42-F205 HydrophobicContact CG-CE2 4.2Å; L42-F205 HydrophobicContact CG-CZ 4.04Å
43S85.7Confident91.2Very high74 Ų7447.7 Ų47.752%0.51728%0.28SS..THydrogen-bonded Turntrans-59.9-27.1-167.458.80000114.1E39 T45E39-S43 WeakPolarHBondContact O-CB 3.3Å; E39-S43 PolarHBondContact O-N 3.36Å; E39-S43 PolarHBondContact O-OG 3.47Å; S43-T45 VanDerWaalsContact C-N 3.32Å
44D87.9Confident91.5Very high154 Ų15443 Ų4382%0.82426%0.259SS*.THydrogen-bonded Turntrans-73.6-21.9176.5-69.6-26.8000113.4L42L42-D44 PolarHBondContact O-N 3.36Å; L42-D44 VanDerWaalsContact O-N 3.07Å
45T89.5Confident91.7Very high96 Ų9645.9 Ų45.959%0.58929%0.289SS*.THydrogen-bonded Turntrans-117.2-42.4-171-49.20000113.3L42 S43 W202L42-T45 PolarHBondContact O-N 2.88Å; S43-T45 VanDerWaalsContact C-N 3.32Å; T45-W202 HydrophobicContact CG2-CH2 4.28Å; T45-W202 HydrophobicContact CG2-CZ2 3.82Å
46I93.9Very high91.9Very high9 Ų946.9 Ų46.95%0.04630%0.3CS..SBendtrans-138.3147-177.162.6175.6000111.7L19 T20 N21 C24 L42 V48 W202L19-I46 HydrophobicContact CD1-CD1 3.81Å; T20-I46 WeakPolarHBondContact O-CD1 3.22Å; N21-I46 WeakPolarHBondContact O-CG2 3.42Å; C24-I46 HydrophobicContact CB-CD1 4.29Å; L42-I46 HydrophobicContact CB-CD1 4.47Å; L42-I46 HydrophobicContact CB-CG1 3.91Å; L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CD2-CD1 3.94Å; L42-I46 HydrophobicContact CD2-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.43Å; L42-I46 PolarHBondContact O-N 3.27Å; I46-V48 PolarHBondContact O-N 2.76Å; I46-W202 HydrophobicContact CD1-CZ2 4.14Å; I46-W202 HydrophobicContact CG1-CZ2 4.44Å; I46-W202 HydrophobicContact CG2-CH2 3.91Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å
47P94.5Very high92Very high54 Ų5448.6 Ų48.635%0.35130%0.296SS..  trans-65.6134.5175.326.9-35.3000111.8T22 C24 V49 P89T22-P47 WeakPolarHBondContact O-CD 3.3Å; C24-P47 PolarHBondContact N-O 3.05Å; P47-V49 HydrophobicContact CB-CG2 4.49Å; P47-P89 HydrophobicContact CG-CG 4.3Å
48V93.8Very high92.1Very high25 Ų2549.8 Ų49.815%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-100.1115.4169.9-178.70000108.2C24 V26 F38 E39 L42 I46C24-V48 HydrophobicContact CB-CG2 4.31Å; C24-V48 CarbonylContact O-C 3.4Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; V26-V48 HydrophobicContact CB-CG1 4.49Å; V26-V48 HydrophobicContact CG1-CG1 4.07Å; V26-V48 HydrophobicContact CG2-CG1 3.54Å; F38-V48 HydrophobicContact CB-CG1 4.43Å; E39-V48 HydrophobicContact CG-CB 4.09Å; E39-V48 HydrophobicContact CG-CG1 4.12Å; E39-V48 HydrophobicContact CG-CG2 4.23Å; L42-V48 HydrophobicContact CB-CG2 3.87Å; L42-V48 HydrophobicContact CD1-CG2 4.25Å; I46-V48 PolarHBondContact O-N 2.76Å
49V93.7Very high92.2Very high7 Ų749.8 Ų49.84%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-110.9117.8-172.1-176.90000110.1C24 L25 V26 P47 A51 S87C24-V49 PolarHBondContact O-N 2.92Å; L25-V49 WeakPolarHBondContact CA-O 3.47Å; L25-V49 HydrophobicContact CD2-CB 3.84Å; L25-V49 HydrophobicContact CD2-CG1 4.24Å; L25-V49 HydrophobicContact CD2-CG2 4.43Å; V26-V49 WeakPolarHBondContact CG2-O 3.49Å; V26-V49 PolarHBondContact N-O 2.91Å; P47-V49 HydrophobicContact CB-CG2 4.49Å; V49-A51 PolarHBondContact O-N 3.03Å; V49-S87 VanDerWaalsContact CG1-CB 3.47Å
50H93.5Very high92.3Very high63 Ų6346.7 Ų46.729%0.29229%0.288SS..EExtended strand (participates in β ladder)trans-73.7113.4171.2-58.2117.9000110.3V26 I28 Y35 E39 H83V26-H50 WeakPolarHBondContact CG2-CD2 3.43Å; V26-H50 CarbonylContact O-C 2.89Å; V26-H50 WeakPolarHBondContact O-CA 3.28Å; I28-H50 HydrophobicContact CG1-CB 4.06Å; Y35-H50 AromaticContact CD1-CD2 3.65Å; Y35-H50 AromaticContact CD1-NE2 3.44Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.3Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.6Å; Y35-H50 AromaticContact CE1-NE2 3.87Å; Y35-H50 AromaticContact CG-NE2 3.49Å; E39-H50 IonicContact OE1-CE1 2.79Å; H50-H83 PolarHBondContact O-CD2 3.29Å; H50-H83 PolarHBondContact O-NE2 3.19Å
51A93.7Very high92.5Very high0 Ų046 Ų460%027%0.268CS..EExtended strand (participates in β ladder)trans-137.7158.8-178.900000113.3V26 A27 I28 V49 I84V26-A51 PolarHBondContact O-N 3.49Å; A27-A51 WeakPolarHBondContact CA-O 3.4Å; I28-A51 PolarHBondContact N-O 3.03Å; V49-A51 PolarHBondContact O-N 3.03Å; A51-I84 HydrophobicContact CB-CD1 4.1Å; A51-I84 HydrophobicContact CB-CG1 3.8Å
52S94.7Very high92.8Very high28 Ų2842.1 Ų42.120%0.19625%0.251CS..  trans-118.5153.4160.361.20000108.4E80S52-E80 VanDerWaalsContact C-OE1 3.26Å; S52-E80 WeakPolarHBondContact CB-OE1 3.21Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å
53I94.3Very high93Very high0 Ų042.1 Ų42.10%025%0.251CS..BIsolated β-bridgetrans-128.2119177.6-63-179.6000107.3G55 C56 I59 M62 C63 V72 P73 T76 I84I53-G55 PolarHBondContact O-N 2.96Å; I53-C56 PolarHBondContact N-O 3.47Å; I53-C56 VanDerWaalsContact N-O 3.13Å; I53-C56 VanDerWaalsContact O-CB 3.29Å; I53-C56 WeakPolarHBondContact O-CB 3.36Å; I53-C56 PolarHBondContact O-N 2.58Å; I53-I59 HydrophobicContact CB-CG2 4.33Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.1Å; I53-I59 HydrophobicContact CG1-CB 4.38Å; I53-I59 HydrophobicContact CG1-CG2 3.88Å; I53-M62 HydrophobicContact CB-CB 4.09Å; I53-M62 HydrophobicContact CD1-CB 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.68Å; I53-M62 HydrophobicContact CG2-CG 4.36Å; I53-C63 HydrophobicContact CD1-CB 3.57Å; I53-V72 HydrophobicContact CD1-CG1 4.18Å; I53-P73 HydrophobicContact CG2-CG 3.78Å; I53-T76 HydrophobicContact CG2-CG2 4.42Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.38Å; I53-I84 HydrophobicContact CG1-CD1 4.36Å
54A92.6Very high93.5Very high24 Ų2438.6 Ų38.620%0.19823%0.226CC..THydrogen-bonded Turntrans56.339.1-175.800000112.8C56 N75 E80A54-C56 PolarHBondContact O-N 2.89Å; A54-C56 VanDerWaalsContact O-N 3.13Å; A54-N75 HydrophobicContact CB-CB 4.09Å; A54-N75 WeakPolarHBondContact CB-ND2 3.37Å; A54-N75 WeakPolarHBondContact CB-O 3.43Å; A54-N75 WeakPolarHBondContact CB-OD1 3.3Å; A54-E80 PolarHBondContact N-OE1 3.35Å; A54-E80 PolarHBondContact N-OE2 3.27Å
55G91.9Very high93.9Very high63 Ų6331.5 Ų31.565%0.64919%0.189SC*.THydrogen-bonded Turntrans67.16.9-175.600000114.4I53 E80I53-G55 PolarHBondContact O-N 2.96Å; G55-E80 WeakPolarHBondContact CA-OE1 3.29Å; G55-E80 PolarHBondContact N-OE1 3.24Å
56C92.9Very high94.2Very high51 Ų5127.1 Ų27.135%0.34516%0.162SC..BIsolated β-bridgetrans-102.3145.6-176.8-68.90000111.8I53 A54 I58I53-C56 PolarHBondContact N-O 3.47Å; I53-C56 VanDerWaalsContact N-O 3.13Å; I53-C56 VanDerWaalsContact O-CB 3.29Å; I53-C56 WeakPolarHBondContact O-CB 3.36Å; I53-C56 PolarHBondContact O-N 2.58Å; A54-C56 PolarHBondContact O-N 2.89Å; A54-C56 VanDerWaalsContact O-N 3.13Å; C56-I58 HydrophobicContact CB-CG1 3.91Å
57R92.7Very high94.3Very high106 Ų10631.5 Ų31.540%0.418%0.178SC..SBendtrans-82.3-15173.9-65.1-172.6-68.9163.75.7112.8E8 F16 A27 I28 I59E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.39Å; E8-R57 PolarHBondContact OE1-NH1 2.73Å; E8-R57 IonicContact OE2-CZ 3.6Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.24Å; E8-R57 IonicContact OE2-NH2 3.03Å; E8-R57 PolarHBondContact OE2-NH2 3Å; F16-R57 HydrophobicContact CD1-CB 4.36Å; A27-R57 HydrophobicContact CB-CB 4.02Å; A27-R57 WeakPolarHBondContact CB-O 3.46Å; I28-R57 VanDerWaalsContact O-CD 3.26Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å; I28-R57 WeakPolarHBondContact O-CG 3.26Å; R57-I59 PolarHBondContact O-N 2.86Å
58I93.8Very high94.3Very high68 Ų6830.5 Ų30.535%0.34917%0.168SC..  trans-79.950-176.853.1161.5000112.7C15 F16 C56 G60 R61 M62C15-I58 HydrophobicContact CB-CG2 4.41Å; C15-I58 CarbonylContact O-C 3.58Å; C15-I58 WeakPolarHBondContact O-CA 3.47Å; F16-I58 HydrophobicContact CE1-CG2 4.15Å; C56-I58 HydrophobicContact CB-CG1 3.91Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.36Å; I58-R61 HydrophobicContact CB-CB 4.32Å; I58-R61 HydrophobicContact CB-CG 4.27Å; I58-R61 HydrophobicContact CD1-CB 4.31Å; I58-R61 WeakPolarHBondContact O-CB 3.15Å; I58-R61 PolarHBondContact O-N 3.34Å; I58-M62 HydrophobicContact CD1-CG 4.43Å; I58-M62 HydrophobicContact CD1-SD 4.04Å; I58-M62 HydrophobicContact CG1-CG 4.12Å; I58-M62 HydrophobicContact CG1-SD 4.34Å; I58-M62 WeakPolarHBondContact O-CG 3.39Å; I58-M62 PolarHBondContact O-N 2.83Å
59I93.9Very high94.4Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-57.6-37.5-170.856.9162.6000113.4C15 F16 L25 V26 A27 I53 R57 R61 M62 C63C15-I59 PolarHBondContact O-N 3.46Å; C15-I59 VanDerWaalsContact O-N 3.14Å; F16-I59 WeakPolarHBondContact O-CD1 3.48Å; F16-I59 VanDerWaalsContact O-CG1 3.3Å; F16-I59 WeakPolarHBondContact O-CG1 3.47Å; L25-I59 HydrophobicContact CB-CD1 3.6Å; L25-I59 VanDerWaalsContact O-CD1 3.3Å; L25-I59 WeakPolarHBondContact O-CD1 3.36Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å; A27-I59 HydrophobicContact CB-CG1 4.43Å; I53-I59 HydrophobicContact CB-CG2 4.33Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.1Å; I53-I59 HydrophobicContact CG1-CB 4.38Å; I53-I59 HydrophobicContact CG1-CG2 3.88Å; R57-I59 PolarHBondContact O-N 2.86Å; I59-R61 PolarHBondContact O-N 3.02Å; I59-M62 PolarHBondContact O-N 2.91Å; I59-M62 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-N 2.88Å; I59-C63 PolarHBondContact O-SG 2.82Å
60G94.7Very high94.6Very high9 Ų929 Ų299%0.09316%0.159CC..Hα-helixtrans-68.4-21.6-17900000113.1G14 C15 A17 I58G14-G60 WeakPolarHBondContact O-CA 3.04Å; C15-G60 PolarHBondContact O-N 2.96Å; A17-G60 WeakPolarHBondContact O-CA 3.4Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.36Å
61R95.1Very high94.8Very high40 Ų4026 Ų2615%0.15115%0.146CC..Hα-helixtrans-84.5-31.2172.9-58.2-67.3-172.8147.19.8112.6C15 I58 I59 A103 G105 N106 S150C15-R61 HydrophobicContact CB-CG 4.13Å; C15-R61 PolarHBondContact SG-NE 2.89Å; C15-R61 PolarHBondContact SG-NH2 2.64Å; C15-R61 VanDerWaalsContact SG-NH2 3.44Å; I58-R61 HydrophobicContact CB-CB 4.32Å; I58-R61 HydrophobicContact CB-CG 4.27Å; I58-R61 HydrophobicContact CD1-CB 4.31Å; I58-R61 WeakPolarHBondContact O-CB 3.15Å; I58-R61 PolarHBondContact O-N 3.34Å; I59-R61 PolarHBondContact O-N 3.02Å; R61-A103 CarbonylContact O-C 3.59Å; R61-A103 VanDerWaalsContact O-C 3.25Å; R61-A103 WeakPolarHBondContact O-CA 3.48Å; R61-G105 WeakPolarHBondContact O-CA 3.4Å; R61-G105 PolarHBondContact O-N 3.47Å; R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 3.26Å; R61-S150 PolarHBondContact NH1-OG 3.21Å
62M95.2Very high94.9Very high14 Ų1426 Ų267%0.06915%0.146CC..Hα-helixtrans-85-32.5-174.5-60-55.6-63.200112.4I53 I58 I59 P73 L104I53-M62 HydrophobicContact CB-CB 4.09Å; I53-M62 HydrophobicContact CD1-CB 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.68Å; I53-M62 HydrophobicContact CG2-CG 4.36Å; I58-M62 HydrophobicContact CD1-CG 4.43Å; I58-M62 HydrophobicContact CD1-SD 4.04Å; I58-M62 HydrophobicContact CG1-CG 4.12Å; I58-M62 HydrophobicContact CG1-SD 4.34Å; I58-M62 WeakPolarHBondContact O-CG 3.39Å; I58-M62 PolarHBondContact O-N 2.83Å; I59-M62 PolarHBondContact O-N 2.91Å; I59-M62 VanDerWaalsContact O-N 3.1Å; M62-P73 HydrophobicContact CB-CG 4.42Å; M62-P73 HydrophobicContact CE-CG 3.82Å; M62-P73 WeakPolarHBondContact O-CD 3.41Å; M62-L104 WeakPolarHBondContact O-CB 3.37Å
63C95.6Very high94.9Very high0 Ų024.8 Ų24.80%014%0.137CC..  trans-117.9156.6-174.271.60000114.1I53 I59 L70 L71 V72I53-C63 HydrophobicContact CD1-CB 3.57Å; I59-C63 PolarHBondContact O-N 2.88Å; I59-C63 PolarHBondContact O-SG 2.82Å; C63-L70 HydrophobicContact CB-CD1 4Å; C63-L71 WeakPolarHBondContact CA-O 3.12Å; C63-L71 VanDerWaalsContact CB-O 3.24Å; C63-L71 WeakPolarHBondContact CB-O 2.9Å; C63-V72 HydrophobicContact CB-CG1 4.22Å
64V96.2Very high94.9Very high0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-127.8140.6170.1610000108.4L71 L104 T108 C110 L129 L133V64-L71 HydrophobicContact CG1-CB 3.84Å; V64-L71 HydrophobicContact CG1-CD1 4.19Å; V64-L71 HydrophobicContact CG1-CG 4.47Å; V64-L71 PolarHBondContact N-O 3.36Å; V64-L71 PolarHBondContact O-N 3.01Å; V64-L104 HydrophobicContact CG1-CB 4.16Å; V64-T108 HydrophobicContact CB-CG2 4.49Å; V64-T108 HydrophobicContact CG1-CG2 4.47Å; V64-T108 HydrophobicContact CG2-CG2 3.84Å; V64-C110 VanDerWaalsContact CG2-SG 3.5Å; V64-L129 HydrophobicContact CG1-CD2 3.96Å; V64-L133 HydrophobicContact CG2-CD1 4.21Å
65G95.6Very high94.9Very high4 Ų431.8 Ų31.84%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-166.8157.1-178.200000112G69G65-G69 CarbonylContact C-O 3.49Å; G65-G69 WeakPolarHBondContact CA-O 3.09Å
66N96Very high95.1Very high4 Ų428.9 Ų28.92%0.02114%0.14CC..  trans-139.8-165.4178.273.5-5000108.7Y23 H68 G69 N111 D112 L133 V135Y23-N66 WeakPolarHBondContact CE1-O 3.33Å; Y23-N66 PolarHBondContact OH-O 3.41Å; N66-H68 PolarHBondContact O-N 2.92Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.34Å; N66-H68 WeakPolarHBondContact OD1-CB 3.32Å; N66-H68 PolarHBondContact OD1-N 3Å; N66-G69 PolarHBondContact N-O 2.87Å; N66-G69 PolarHBondContact OD1-N 2.93Å; N66-G69 VanDerWaalsContact OD1-N 3.11Å; N66-N111 PolarHBondContact ND2-O 3.39Å; N66-D112 WeakPolarHBondContact CB-OD1 3.38Å; N66-L133 PolarHBondContact ND2-O 2.97Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.14Å
67R95.3Very high95.2Very high101 Ų10129.6 Ų29.638%0.38114%0.143SC..SBendtrans-64.8-16.4-179.576.8-179.2-178.5131.43.2115.5N21 T22 D112N21-R67 HydrophobicContact CB-CB 4.36Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 WeakPolarHBondContact OG1-CA 3.48Å; R67-D112 WeakPolarHBondContact CB-OD1 3.28Å; R67-D112 VanDerWaalsContact CD-CG 3.49Å; R67-D112 WeakPolarHBondContact CD-OD2 3.38Å; R67-D112 HydrophobicContact CG-CB 4.12Å; R67-D112 VanDerWaalsContact CG-OD1 3.27Å; R67-D112 WeakPolarHBondContact CG-OD1 3.36Å; R67-D112 PolarHBondContact N-OD1 3.1Å
68H95.7Very high95.3Very high34 Ų3429.6 Ų29.616%0.15715%0.151CC..SBendtrans-100.7-32.5-172-65.9-51.5000113N66 V92 Q93 L133 K134N66-H68 PolarHBondContact O-N 2.92Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.34Å; N66-H68 WeakPolarHBondContact OD1-CB 3.32Å; N66-H68 PolarHBondContact OD1-N 3Å; H68-V92 WeakPolarHBondContact O-CA 3.36Å; H68-Q93 PolarHBondContact O-N 2.85Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 2.84Å; H68-K134 HydrophobicContact CB-CB 4.41Å; H68-K134 HydrophobicContact CB-CD 4.23Å; H68-K134 HydrophobicContact CB-CG 4.26Å
69G96Very high95.4Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-162.7166.3-175.400000114.4Y23 G65 N66 Q93 L133Y23-G69 PolarHBondContact OH-O 2.64Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; G65-G69 CarbonylContact C-O 3.49Å; G65-G69 WeakPolarHBondContact CA-O 3.09Å; N66-G69 PolarHBondContact N-O 2.87Å; N66-G69 PolarHBondContact OD1-N 2.93Å; N66-G69 VanDerWaalsContact OD1-N 3.11Å; G69-Q93 CarbonylContact C-O 3.56Å; G69-Q93 WeakPolarHBondContact CA-O 3.43Å; G69-L133 WeakPolarHBondContact O-CD2 3.49Å
70L97.2Very high95.5Very high0 Ų035.2 Ų35.20%018%0.176CC..EExtended strand (participates in β ladder)trans-129.2125.4175.5-178.669.9000109.2Y23 L25 C63 V72 I84 L88 Q93 I94 R95Y23-L70 HydrophobicContact CE2-CD1 4.19Å; Y23-L70 WeakPolarHBondContact OH-CB 3.44Å; L25-L70 HydrophobicContact CD1-CD1 3.81Å; L25-L70 HydrophobicContact CD1-CD2 3.68Å; L25-L70 HydrophobicContact CD1-CG 4.42Å; C63-L70 HydrophobicContact CB-CD1 4Å; L70-V72 HydrophobicContact CD2-CG1 4.07Å; L70-V72 HydrophobicContact CG-CG1 4.07Å; L70-I84 HydrophobicContact CD2-CG2 3.62Å; L70-L88 HydrophobicContact CB-CD1 4.35Å; L70-L88 HydrophobicContact CD2-CD1 3.98Å; L70-Q93 PolarHBondContact N-O 3.05Å; L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 HydrophobicContact CD2-CD1 3.89Å; L70-I94 HydrophobicContact CD2-CG1 4.2Å; L70-I94 HydrophobicContact CG-CG1 4.48Å; L70-I94 WeakPolarHBondContact O-CA 3.26Å; L70-R95 PolarHBondContact O-N 3.03Å
71L96.6Very high95.5Very high1 Ų135.3 Ų35.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-106.3131.1172.4-61.8178.3000110.4C63 V64 R95 V97 L104 I128 L129 V132 L133C63-L71 WeakPolarHBondContact CA-O 3.12Å; C63-L71 VanDerWaalsContact CB-O 3.24Å; C63-L71 WeakPolarHBondContact CB-O 2.9Å; V64-L71 HydrophobicContact CG1-CB 3.84Å; V64-L71 HydrophobicContact CG1-CD1 4.19Å; V64-L71 HydrophobicContact CG1-CG 4.47Å; V64-L71 PolarHBondContact N-O 3.36Å; V64-L71 PolarHBondContact O-N 3.01Å; L71-R95 WeakPolarHBondContact CA-O 3.39Å; L71-R95 HydrophobicContact CD2-CB 3.82Å; L71-V97 HydrophobicContact CB-CG2 4.06Å; L71-V97 HydrophobicContact CD1-CG2 4.14Å; L71-V97 HydrophobicContact CD2-CG2 3.79Å; L71-V97 HydrophobicContact CG-CG2 4.23Å; L71-L104 HydrophobicContact CB-CD1 4.13Å; L71-I128 HydrophobicContact CD2-CG2 4.06Å; L71-L129 HydrophobicContact CD1-CB 4.36Å; L71-L129 HydrophobicContact CD1-CD2 3.26Å; L71-L129 HydrophobicContact CD1-CG 3.64Å; L71-V132 HydrophobicContact CD2-CB 3.84Å; L71-V132 HydrophobicContact CD2-CG1 3.65Å; L71-V132 HydrophobicContact CD2-CG2 3.97Å; L71-V132 HydrophobicContact CG-CG1 4.27Å; L71-L133 HydrophobicContact CD1-CD1 4.43Å; L71-L133 HydrophobicContact CD1-CG 4.34Å; L71-L133 HydrophobicContact CG-CD2 4.46Å
72V96.3Very high95.5Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-124.2151.7178.9-600000109.2I53 C63 L70 T76 L81 R95 R96 V97I53-V72 HydrophobicContact CD1-CG1 4.18Å; C63-V72 HydrophobicContact CB-CG1 4.22Å; L70-V72 HydrophobicContact CD2-CG1 4.07Å; L70-V72 HydrophobicContact CG-CG1 4.07Å; V72-T76 HydrophobicContact CB-CG2 4.43Å; V72-T76 HydrophobicContact CG2-CG2 4.18Å; V72-L81 HydrophobicContact CG2-CD1 3.74Å; V72-R95 PolarHBondContact N-O 2.9Å; V72-R96 HydrophobicContact CG2-CG 3.8Å; V72-R96 CarbonylContact O-C 3.47Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.24Å; V72-V97 PolarHBondContact O-N 2.82Å
73P95.6Very high95.5Very high2 Ų240.9 Ų40.91%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-70.1157.8-178.930.5-37.9000111.6I53 M62 N75 T76 S102I53-P73 HydrophobicContact CG2-CG 3.78Å; M62-P73 HydrophobicContact CB-CG 4.42Å; M62-P73 HydrophobicContact CE-CG 3.82Å; M62-P73 WeakPolarHBondContact O-CD 3.41Å; P73-N75 WeakPolarHBondContact CB-OD1 3.5Å; P73-N75 WeakPolarHBondContact CG-OD1 3.37Å; P73-N75 PolarHBondContact O-N 2.96Å; P73-N75 VanDerWaalsContact O-N 3.15Å; P73-T76 WeakPolarHBondContact CD-OG1 3.47Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.32Å; P73-T76 PolarHBondContact O-N 3.13Å; P73-T76 PolarHBondContact O-OG1 3.44Å; P73-S102 WeakPolarHBondContact CB-O 3.38Å
74N93.9Very high95.5Very high84 Ų8440.9 Ų40.945%0.44920%0.202SC..THydrogen-bonded Turntrans-59.3-26.8-177.8-168.332.9000114.1T76 V97 E98N74-T76 PolarHBondContact O-N 3.22Å; N74-V97 WeakPolarHBondContact CB-O 3.08Å; N74-V97 PolarHBondContact N-O 2.84Å; N74-E98 HydrophobicContact CB-CB 4.44Å
75N93.4Very high95.4Very high86 Ų8646.1 Ų46.146%0.4622%0.222SC..THydrogen-bonded Turntrans-75.90.9176.663.7-11.2000114.1A54 P73 T77A54-N75 HydrophobicContact CB-CB 4.09Å; A54-N75 WeakPolarHBondContact CB-ND2 3.37Å; A54-N75 WeakPolarHBondContact CB-O 3.43Å; A54-N75 WeakPolarHBondContact CB-OD1 3.3Å; P73-N75 WeakPolarHBondContact CB-OD1 3.5Å; P73-N75 WeakPolarHBondContact CG-OD1 3.37Å; P73-N75 PolarHBondContact O-N 2.96Å; P73-N75 VanDerWaalsContact O-N 3.15Å; N75-T77 PolarHBondContact O-N 2.71Å
76T94.7Very high95.4Very high2 Ų251.5 Ų51.51%0.01225%0.25CC..SBendtrans-67.3126.4172.1-50.90000110I53 V72 P73 N74 E80 R96I53-T76 HydrophobicContact CG2-CG2 4.42Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.38Å; V72-T76 HydrophobicContact CB-CG2 4.43Å; V72-T76 HydrophobicContact CG2-CG2 4.18Å; P73-T76 WeakPolarHBondContact CD-OG1 3.47Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.32Å; P73-T76 PolarHBondContact O-N 3.13Å; P73-T76 PolarHBondContact O-OG1 3.44Å; N74-T76 PolarHBondContact O-N 3.22Å; T76-E80 HydrophobicContact CG2-CB 3.87Å; T76-R96 PolarHBondContact O-NH1 3.25Å
77T95.4Very high95.3Very high66 Ų6653.3 Ų53.341%0.40526%0.262SS..  trans-69.4153.7-177.866.10000111.5N75 Q79 E80 L81N75-T77 PolarHBondContact O-N 2.71Å; T77-Q79 PolarHBondContact O-N 2.83Å; T77-E80 PolarHBondContact N-OE2 2.78Å; T77-E80 PolarHBondContact O-N 2.67Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.34Å; T77-E80 PolarHBondContact OG1-OE2 3.46Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 PolarHBondContact O-N 2.89Å
78D95.1Very high95.2Very high106 Ų10649 Ų4957%0.56725%0.247SC*.Hα-helixtrans-62.1-30.8178-65.3-40.5000112.3Q82 R96D78-Q82 VanDerWaalsContact O-CB 3.32Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.46Å; D78-R96 IonicContact OD1-CZ 3.6Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.95Å; D78-R96 PolarHBondContact OD1-NH1 2.9Å; D78-R96 IonicContact OD1-NH2 3.46Å; D78-R96 PolarHBondContact OD1-NH2 2.84Å
79Q95.7Very high95.1Very high168 Ų16849.3 Ų49.379%0.78525%0.252SS*.Hα-helixtrans-67.2-47.4175.8-68.8-177.7-9.600111.7T77 L81 Q82 H83T77-Q79 PolarHBondContact O-N 2.83Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-Q82 PolarHBondContact O-N 3.43Å; Q79-H83 WeakPolarHBondContact O-CB 3.45Å; Q79-H83 PolarHBondContact O-N 3.39Å
80E95.9Very high94.8Very high18 Ų1857.6 Ų57.68%0.08430%0.296CS..Hα-helixtrans-60.2-45.6174.2-72.6167.4145.200110.8S52 A54 G55 T76 T77 Q82 H83 I84S52-E80 VanDerWaalsContact C-OE1 3.26Å; S52-E80 WeakPolarHBondContact CB-OE1 3.21Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å; A54-E80 PolarHBondContact N-OE1 3.35Å; A54-E80 PolarHBondContact N-OE2 3.27Å; G55-E80 WeakPolarHBondContact CA-OE1 3.29Å; G55-E80 PolarHBondContact N-OE1 3.24Å; T76-E80 HydrophobicContact CG2-CB 3.87Å; T77-E80 PolarHBondContact N-OE2 2.78Å; T77-E80 PolarHBondContact O-N 2.67Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.34Å; T77-E80 PolarHBondContact OG1-OE2 3.46Å; E80-Q82 VanDerWaalsContact C-N 3.34Å; E80-Q82 PolarHBondContact O-N 3.13Å; E80-H83 PolarHBondContact O-N 3.07Å; E80-I84 VanDerWaalsContact O-CG1 3.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.02Å
81L94.7Very high94.6Very high12 Ų1262.8 Ų62.86%0.06333%0.328CS..Hα-helixtrans-61.2-42.6179.8-169.674.2000111.9V72 T77 Q79 R85 I94 R96V72-L81 HydrophobicContact CG2-CD1 3.74Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 PolarHBondContact O-N 2.89Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.28Å; L81-R85 PolarHBondContact O-N 3.11Å; L81-I94 HydrophobicContact CD1-CD1 3.58Å; L81-I94 HydrophobicContact CD1-CG1 3.82Å; L81-I94 HydrophobicContact CG-CD1 4.49Å; L81-R96 HydrophobicContact CD1-CG 4.19Å; L81-R96 HydrophobicContact CD2-CG 4.36Å
82Q95.5Very high94.5Very high90 Ų9063.4 Ų63.442%0.42133%0.332SS..Hα-helixtrans-68.4-41.3178.4-171.461.739.500111.9D78 Q79 E80 R85 N86D78-Q82 VanDerWaalsContact O-CB 3.32Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.46Å; Q79-Q82 PolarHBondContact O-N 3.43Å; E80-Q82 VanDerWaalsContact C-N 3.34Å; E80-Q82 PolarHBondContact O-N 3.13Å; Q82-R85 PolarHBondContact O-N 3.22Å; Q82-N86 PolarHBondContact NE2-OD1 3.1Å; Q82-N86 WeakPolarHBondContact O-CB 3.34Å; Q82-N86 PolarHBondContact O-N 3.13Å; Q82-N86 PolarHBondContact O-ND2 3.34Å
83H95.3Very high94.4Very high81 Ų8167.7 Ų67.738%0.37535%0.352SS..Hα-helixtrans-59.4-48.2176.4173.961.8000111.8H50 Q79 E80 N86 S87H50-H83 PolarHBondContact O-CD2 3.29Å; H50-H83 PolarHBondContact O-NE2 3.19Å; Q79-H83 WeakPolarHBondContact O-CB 3.45Å; Q79-H83 PolarHBondContact O-N 3.39Å; E80-H83 PolarHBondContact O-N 3.07Å; H83-N86 PolarHBondContact O-N 3.45Å; H83-S87 PolarHBondContact O-N 3.1Å; H83-S87 PolarHBondContact O-OG 3.08Å
84I95.4Very high94.4Very high0 Ų068.1 Ų68.10%035%0.354CS..Hα-helixtrans-63.1-48.2177.2-62166000109.7L25 A51 I53 L70 E80 N86 S87 L88 I94L25-I84 HydrophobicContact CD2-CG2 4.36Å; A51-I84 HydrophobicContact CB-CD1 4.1Å; A51-I84 HydrophobicContact CB-CG1 3.8Å; I53-I84 HydrophobicContact CG1-CD1 4.36Å; L70-I84 HydrophobicContact CD2-CG2 3.62Å; E80-I84 VanDerWaalsContact O-CG1 3.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.02Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 2.99Å; I84-S87 PolarHBondContact O-N 3.48Å; I84-L88 HydrophobicContact CG2-CD1 3.54Å; I84-L88 HydrophobicContact CG2-CG 3.84Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.12Å; I84-L88 PolarHBondContact O-N 2.78Å; I84-I94 HydrophobicContact CB-CD1 3.84Å; I84-I94 HydrophobicContact CG2-CD1 3.53Å
85R94.3Very high94.4Very high110 Ų11068.6 Ų68.642%0.41535%0.35SS..Hα-helixtrans-56.4-40.2179.7-176.3176.3-80.6117-2.7112.9L81 Q82 S87 I94L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.28Å; L81-R85 PolarHBondContact O-N 3.11Å; Q82-R85 PolarHBondContact O-N 3.22Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 2.95Å; R85-I94 HydrophobicContact CB-CG2 3.96Å; R85-I94 HydrophobicContact CG-CG2 4.11Å; R85-I94 PolarHBondContact NH2-O 3.42Å
86N94.8Very high94.5Very high117 Ų11768.9 Ų68.963%0.62634%0.344SS*.Hα-helixtrans-71.8-21.4179.7-70.9-11.7000113.6Q82 H83 I84Q82-N86 PolarHBondContact NE2-OD1 3.1Å; Q82-N86 WeakPolarHBondContact O-CB 3.34Å; Q82-N86 PolarHBondContact O-N 3.13Å; Q82-N86 PolarHBondContact O-ND2 3.34Å; H83-N86 PolarHBondContact O-N 3.45Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 2.99Å
87S93.8Very high94.4Very high42 Ų4268.9 Ų68.929%0.29434%0.344SS..Hα-helixtrans-100.1-17.4-174.9-51.70000112.8V49 H83 I84 R85V49-S87 VanDerWaalsContact CG1-CB 3.47Å; H83-S87 PolarHBondContact O-N 3.1Å; H83-S87 PolarHBondContact O-OG 3.08Å; I84-S87 PolarHBondContact O-N 3.48Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 2.95Å
88L93.9Very high94.2Very high11 Ų1173.2 Ų73.26%0.05836%0.36CS..SBendtrans-82.4153.2177.4-71.1179.8000111.5Y23 L25 L70 I84 V92Y23-L88 HydrophobicContact CD1-CD2 3.74Å; Y23-L88 HydrophobicContact CD2-CD2 3.43Å; Y23-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 3.98Å; Y23-L88 HydrophobicContact CG-CD2 3.3Å; L25-L88 HydrophobicContact CD2-CD2 4.28Å; L70-L88 HydrophobicContact CB-CD1 4.35Å; L70-L88 HydrophobicContact CD2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CD1 3.54Å; I84-L88 HydrophobicContact CG2-CG 3.84Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.12Å; I84-L88 PolarHBondContact O-N 2.78Å; L88-V92 HydrophobicContact CB-CB 4.44Å; L88-V92 HydrophobicContact CD1-CG1 3.98Å
89P93Very high94Very high40 Ų4069 Ų6926%0.2634%0.337SS..  trans-58.4144169.4-20.131.2000111.6P47 T91 V92P47-P89 HydrophobicContact CG-CG 4.3Å; P89-T91 PolarHBondContact O-N 3.08Å; P89-V92 HydrophobicContact CB-CG2 4.2Å; P89-V92 HydrophobicContact CG-CG2 4.23Å; P89-V92 WeakPolarHBondContact O-CB 3.15Å; P89-V92 PolarHBondContact O-N 2.68Å
90D90.4Very high93.7Very high173 Ų17369.4 Ų69.493%0.92533%0.331SS*.THydrogen-bonded Turntrans-58.1-22-178.8-67.1-31.9000113.9V92D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.02Å
91T91.9Very high93.3Very high110 Ų11070.4 Ų70.468%0.67534%0.337SS*.THydrogen-bonded Turntrans-74.1-15.8177.455.50000113.5P89P89-T91 PolarHBondContact O-N 3.08Å
92V95.1Very high92.7Very high14 Ų1472.6 Ų72.69%0.08535%0.353CS..SBendtrans-93.4116-174.7-178.50000109.7Y23 H68 L88 P89 D90Y23-V92 HydrophobicContact CD1-CG1 4.14Å; Y23-V92 HydrophobicContact CD1-CG2 3.86Å; Y23-V92 HydrophobicContact CE1-CB 4.35Å; Y23-V92 HydrophobicContact CE1-CG1 3.52Å; Y23-V92 HydrophobicContact CE1-CG2 3.91Å; H68-V92 WeakPolarHBondContact O-CA 3.36Å; L88-V92 HydrophobicContact CB-CB 4.44Å; L88-V92 HydrophobicContact CD1-CG1 3.98Å; P89-V92 HydrophobicContact CB-CG2 4.2Å; P89-V92 HydrophobicContact CG-CG2 4.23Å; P89-V92 WeakPolarHBondContact O-CB 3.15Å; P89-V92 PolarHBondContact O-N 2.68Å; D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.02Å
93Q94.3Very high92.4Very high89 Ų8969.4 Ų69.442%0.41634%0.342SS..EExtended strand (participates in β ladder)trans-82.8122.2176.7-174.3177.58.900110.8H68 G69 L70 V132H68-Q93 PolarHBondContact O-N 2.85Å; G69-Q93 CarbonylContact C-O 3.56Å; G69-Q93 WeakPolarHBondContact CA-O 3.43Å; L70-Q93 PolarHBondContact N-O 3.05Å; Q93-V132 HydrophobicContact CB-CG1 4.23Å; Q93-V132 HydrophobicContact CG-CG1 4.28Å; Q93-V132 WeakPolarHBondContact O-CG1 3.44Å
94I95.5Very high92.4Very high12 Ų1265.7 Ų65.76%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-102.4128.3173-170174.8000111.6L70 L81 I84 R85L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 HydrophobicContact CD2-CD1 3.89Å; L70-I94 HydrophobicContact CD2-CG1 4.2Å; L70-I94 HydrophobicContact CG-CG1 4.48Å; L70-I94 WeakPolarHBondContact O-CA 3.26Å; L81-I94 HydrophobicContact CD1-CD1 3.58Å; L81-I94 HydrophobicContact CD1-CG1 3.82Å; L81-I94 HydrophobicContact CG-CD1 4.49Å; I84-I94 HydrophobicContact CB-CD1 3.84Å; I84-I94 HydrophobicContact CG2-CD1 3.53Å; R85-I94 HydrophobicContact CB-CG2 3.96Å; R85-I94 HydrophobicContact CG-CG2 4.11Å; R85-I94 PolarHBondContact NH2-O 3.42Å
95R94.6Very high92.4Very high94 Ų9466 Ų6636%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-138.6142.4-179.5-173.1169179.3177.5-1.6112L70 L71 V72 I128 D131 V132L70-R95 PolarHBondContact O-N 3.03Å; L71-R95 WeakPolarHBondContact CA-O 3.39Å; L71-R95 HydrophobicContact CD2-CB 3.82Å; V72-R95 PolarHBondContact N-O 2.9Å; R95-I128 HydrophobicContact CG-CG2 4.48Å; R95-D131 IonicContact NH1-OD2 3.17Å; R95-V132 HydrophobicContact CB-CG2 4.07Å; R95-V132 HydrophobicContact CG-CG2 4.5Å
96R95Very high92.4Very high91 Ų9162.4 Ų62.434%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-83.4139169.1-78.7-175.3-70.6-154.9-5.5110.1V72 T76 D78 L81V72-R96 HydrophobicContact CG2-CG 3.8Å; V72-R96 CarbonylContact O-C 3.47Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.24Å; T76-R96 PolarHBondContact O-NH1 3.25Å; D78-R96 IonicContact OD1-CZ 3.6Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.95Å; D78-R96 PolarHBondContact OD1-NH1 2.9Å; D78-R96 IonicContact OD1-NH2 3.46Å; D78-R96 PolarHBondContact OD1-NH2 2.84Å; L81-R96 HydrophobicContact CD1-CG 4.19Å; L81-R96 HydrophobicContact CD2-CG 4.36Å
97V93.3Very high92.5Very high2 Ų257 Ų571%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-119.4130.2177.7-174.20000109.7L71 V72 N74 E99 L104 T125 I128L71-V97 HydrophobicContact CB-CG2 4.06Å; L71-V97 HydrophobicContact CD1-CG2 4.14Å; L71-V97 HydrophobicContact CD2-CG2 3.79Å; L71-V97 HydrophobicContact CG-CG2 4.23Å; V72-V97 PolarHBondContact O-N 2.82Å; N74-V97 WeakPolarHBondContact CB-O 3.08Å; N74-V97 PolarHBondContact N-O 2.84Å; V97-E99 HydrophobicContact CG1-CB 4.08Å; V97-E99 PolarHBondContact O-N 3.1Å; V97-L104 HydrophobicContact CB-CD1 4.3Å; V97-L104 HydrophobicContact CG2-CD1 4.43Å; V97-T125 HydrophobicContact CG1-CG2 3.69Å; V97-I128 HydrophobicContact CG2-CG2 3.97Å
98E91.5Very high92.6Very high157 Ų15755 Ų5573%0.73427%0.274SS*.  trans-89.397.6169.8-172.8169-17900108.7N74N74-E98 HydrophobicContact CB-CB 4.44Å
99E90.4Very high92.7Very high18 Ų1855 Ų558%0.08427%0.274CS..  trans-132136.3-179174.750-110.100108.3V97 L101 L104 L121 D122 T125V97-E99 HydrophobicContact CG1-CB 4.08Å; V97-E99 PolarHBondContact O-N 3.1Å; E99-L101 HydrophobicContact CG-CB 4.03Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact OE1-N 2.97Å; E99-L104 HydrophobicContact CB-CD2 4.12Å; E99-L104 HydrophobicContact CG-CD2 4.12Å; E99-L121 HydrophobicContact CG-CD1 4.12Å; E99-D122 PolarHBondContact OE2-N 2.9Å; E99-T125 HydrophobicContact CB-CG2 4.31Å; E99-T125 HydrophobicContact CG-CG2 4.26Å; E99-T125 VanDerWaalsContact OE2-CB 3.28Å; E99-T125 WeakPolarHBondContact OE2-CB 3.38Å; E99-T125 PolarHBondContact OE2-OG1 3.16Å
100R89.3Confident92.9Very high177 Ų17753.6 Ų53.667%0.66827%0.266SS*.SBendtrans-61.6-38.8176.9-177.7177.56294.12110.5S102R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.1Å
101L86.8Confident93.1Very high39 Ų3945.7 Ų45.720%0.20422%0.224CC..SBendtrans-79.470.9171.9-59176.2000111E99 A103 V107 H118E99-L101 HydrophobicContact CG-CB 4.03Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact OE1-N 2.97Å; L101-A103 PolarHBondContact O-N 2.91Å; L101-V107 HydrophobicContact CB-CG1 4.08Å; L101-V107 HydrophobicContact CB-CG2 4.36Å; L101-V107 HydrophobicContact CD1-CG1 3.98Å; L101-H118 HydrophobicContact CD1-CB 4.34Å
102S82.1Confident93.3Very high57 Ų5740.9 Ų40.940%0.39919%0.194SC..  trans-56.6-21.7-172.1600000116.7P73 R100 L104P73-S102 WeakPolarHBondContact CB-O 3.38Å; R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.1Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.38Å; S102-L104 VanDerWaalsContact O-N 3.14Å
103A91Very high93.3Very high23 Ų2346.7 Ų46.719%0.1922%0.215CC..  trans-86.37417600000110.5R61 L101 G105 N106 V107R61-A103 CarbonylContact O-C 3.59Å; R61-A103 VanDerWaalsContact O-C 3.25Å; R61-A103 WeakPolarHBondContact O-CA 3.48Å; L101-A103 PolarHBondContact O-N 2.91Å; A103-G105 PolarHBondContact O-N 2.79Å; A103-G105 VanDerWaalsContact O-N 3.17Å; A103-N106 HydrophobicContact CB-CB 4.18Å; A103-N106 WeakPolarHBondContact O-CB 3.4Å; A103-N106 PolarHBondContact O-N 2.87Å; A103-V107 PolarHBondContact O-N 3.29Å
104L94Very high93.4Very high3 Ų342.8 Ų42.82%0.01620%0.197CC..Hα-helixtrans-54.4-37.5-174.3-62.1175.6000112.7M62 V64 L71 V97 E99 S102 N106 V107 T108M62-L104 WeakPolarHBondContact O-CB 3.37Å; V64-L104 HydrophobicContact CG1-CB 4.16Å; L71-L104 HydrophobicContact CB-CD1 4.13Å; V97-L104 HydrophobicContact CB-CD1 4.3Å; V97-L104 HydrophobicContact CG2-CD1 4.43Å; E99-L104 HydrophobicContact CB-CD2 4.12Å; E99-L104 HydrophobicContact CG-CD2 4.12Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.38Å; S102-L104 VanDerWaalsContact O-N 3.14Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 2.79Å; L104-V107 WeakPolarHBondContact O-CG2 3.29Å; L104-V107 PolarHBondContact O-N 2.94Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.05Å
105G95.2Very high93.5Very high6 Ų642.2 Ų42.26%0.06219%0.194CC..Hα-helixtrans-67.8-19.7178.100000114.3R61 A103 G149R61-G105 WeakPolarHBondContact O-CA 3.4Å; R61-G105 PolarHBondContact O-N 3.47Å; A103-G105 PolarHBondContact O-N 2.79Å; A103-G105 VanDerWaalsContact O-N 3.17Å; G105-G149 CarbonylContact O-C 3.53Å; G105-G149 WeakPolarHBondContact O-CA 3.46Å
106N95.6Very high93.6Very high35 Ų3537.7 Ų37.719%0.18718%0.177CC..Hα-helixtrans-81.5-30.7173.6-74.4-20000113R61 A103 L104 L147 G149 S150R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 3.26Å; A103-N106 HydrophobicContact CB-CB 4.18Å; A103-N106 WeakPolarHBondContact O-CB 3.4Å; A103-N106 PolarHBondContact O-N 2.87Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 2.79Å; N106-L147 CarbonylContact O-C 3.3Å; N106-L147 VanDerWaalsContact O-C 3.3Å; N106-L147 WeakPolarHBondContact O-CA 3.4Å; N106-G149 CarbonylContact O-C 3.36Å; N106-G149 VanDerWaalsContact O-CA 3.25Å; N106-G149 WeakPolarHBondContact O-CA 3.05Å; N106-G149 PolarHBondContact O-N 3.05Å; N106-S150 PolarHBondContact O-N 3.36Å; N106-S150 PolarHBondContact OD1-OG 2.93Å
107V95.7Very high93.7Very high4 Ų433.4 Ų33.42%0.02416%0.161CC..Hα-helixtrans-103.3-10.4-171.4-63.60000112.5L101 A103 L104 V117 H118 L147 V148L101-V107 HydrophobicContact CB-CG1 4.08Å; L101-V107 HydrophobicContact CB-CG2 4.36Å; L101-V107 HydrophobicContact CD1-CG1 3.98Å; A103-V107 PolarHBondContact O-N 3.29Å; L104-V107 WeakPolarHBondContact O-CG2 3.29Å; L104-V107 PolarHBondContact O-N 2.94Å; V107-V117 CarbonylContact O-C 3.51Å; V107-V117 WeakPolarHBondContact O-CA 3.45Å; V107-H118 HydrophobicContact CB-CB 3.84Å; V107-H118 HydrophobicContact CG1-CB 4.25Å; V107-H118 PolarHBondContact O-N 3Å; V107-L147 HydrophobicContact CG1-CD2 3.88Å; V107-V148 VanDerWaalsContact O-CG2 3.27Å; V107-V148 WeakPolarHBondContact O-CG2 3.2Å
108T96.1Very high93.8Very high1 Ų133.9 Ų33.91%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-136.7134.1-178.9-50.50000111.2V64 L104 A115 L116 V117 L129V64-T108 HydrophobicContact CB-CG2 4.49Å; V64-T108 HydrophobicContact CG1-CG2 4.47Å; V64-T108 HydrophobicContact CG2-CG2 3.84Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.05Å; T108-A115 HydrophobicContact CG2-CB 4.47Å; T108-L116 WeakPolarHBondContact CA-O 3.35Å; T108-V117 HydrophobicContact CG2-CG1 3.75Å; T108-L129 HydrophobicContact CG2-CD1 4.46Å; T108-L129 HydrophobicContact CG2-CD2 4.03Å
109T96.1Very high94Very high9 Ų928.2 Ų28.26%0.05514%0.14CC..EExtended strand (participates in β ladder)trans-131.4143.7168.4179.50000108.7A115 L116 V148 C152 F154T109-A115 CarbonylContact O-C 3.53Å; T109-A115 WeakPolarHBondContact O-CA 3.45Å; T109-L116 HydrophobicContact CG2-CB 4Å; T109-L116 PolarHBondContact N-O 3.03Å; T109-L116 PolarHBondContact O-N 3.22Å; T109-V148 HydrophobicContact CG2-CB 4.29Å; T109-V148 HydrophobicContact CG2-CG2 4.27Å; T109-C152 WeakPolarHBondContact CB-O 3.46Å; T109-C152 HydrophobicContact CG2-CB 4.13Å; T109-C152 PolarHBondContact OG1-O 3.47Å; T109-F154 HydrophobicContact CG2-CD1 4.24Å; T109-F154 HydrophobicContact CG2-CE1 3.66Å; T109-F154 WeakPolarHBondContact OG1-CE1 3.43Å
110C96.4Very high94.1Very high12 Ų1232.5 Ų32.58%0.08116%0.163CC..EExtended strand (participates in β ladder)trans-152.3150.3-17263.30000111.7V64 V114 A115V64-C110 VanDerWaalsContact CG2-SG 3.5Å; C110-V114 WeakPolarHBondContact CA-O 3.45Å; C110-A115 HydrophobicContact CB-CB 3.66Å
111N95.7Very high94.3Very high7 Ų724.1 Ų24.14%0.03713%0.132CC..  trans-104.2-158.4158.871.16.7000109.3N66 Y113 V114 F154 S155 N156N66-N111 PolarHBondContact ND2-O 3.39Å; N111-Y113 VanDerWaalsContact C-N 3.28Å; N111-Y113 PolarHBondContact O-N 2.88Å; N111-Y113 PolarHBondContact OD1-N 3.14Å; N111-V114 PolarHBondContact N-O 2.72Å; N111-V114 PolarHBondContact OD1-N 2.99Å; N111-V114 PolarHBondContact OD1-O 3.39Å; N111-V114 VanDerWaalsContact OD1-O 3.12Å; N111-F154 HydrophobicContact CB-CD2 3.65Å; N111-F154 HydrophobicContact CB-CE2 3.57Å; N111-F154 VanDerWaalsContact CG-CE2 3.44Å; N111-F154 VanDerWaalsContact N-CE2 3.31Å; N111-S155 PolarHBondContact ND2-O 2.93Å; N111-N156 WeakPolarHBondContact CB-OD1 3.39Å
112D95.7Very high94.7Very high9 Ų926.1 Ų26.15%0.04814%0.143CC..SBendtrans-82-3.9-178.6-65.5-36.3000114.2N21 N66 R67 N156N21-D112 PolarHBondContact ND2-OD2 3.25Å; N66-D112 WeakPolarHBondContact CB-OD1 3.38Å; R67-D112 WeakPolarHBondContact CB-OD1 3.28Å; R67-D112 VanDerWaalsContact CD-CG 3.49Å; R67-D112 WeakPolarHBondContact CD-OD2 3.38Å; R67-D112 HydrophobicContact CG-CB 4.12Å; R67-D112 VanDerWaalsContact CG-OD1 3.27Å; R67-D112 WeakPolarHBondContact CG-OD1 3.36Å; R67-D112 PolarHBondContact N-OD1 3.1Å; D112-N156 PolarHBondContact N-OD1 3.39Å; D112-N156 VanDerWaalsContact N-OD1 3.08Å; D112-N156 PolarHBondContact OD2-ND2 2.79Å
113Y96Very high95.2Very high136 Ų13632 Ų3253%0.53316%0.156SC..SBendtrans-126.3-34.1-173-56-74.5000113.7N111 V135 E136 N156N111-Y113 VanDerWaalsContact C-N 3.28Å; N111-Y113 PolarHBondContact O-N 2.88Å; N111-Y113 PolarHBondContact OD1-N 3.14Å; Y113-V135 CarbonylContact O-C 3.58Å; Y113-V135 VanDerWaalsContact O-CA 3.25Å; Y113-V135 WeakPolarHBondContact O-CA 3.24Å; Y113-V135 WeakPolarHBondContact O-CB 3.26Å; Y113-E136 PolarHBondContact O-N 2.92Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.27Å; Y113-N156 HydrophobicContact CE2-CB 4.21Å; Y113-N156 WeakPolarHBondContact CE2-OD1 3.35Å
114V96.7Very high95.4Very high6 Ų637.7 Ų37.74%0.03618%0.179CC..EExtended strand (participates in β ladder)trans-138.1143.4-171.4-177.70000110.3C110 N111 E136 F138 L177C110-V114 WeakPolarHBondContact CA-O 3.45Å; N111-V114 PolarHBondContact N-O 2.72Å; N111-V114 PolarHBondContact OD1-N 2.99Å; N111-V114 PolarHBondContact OD1-O 3.39Å; N111-V114 VanDerWaalsContact OD1-O 3.12Å; V114-E136 CarbonylContact C-O 3.56Å; V114-E136 WeakPolarHBondContact CA-O 3.36Å; V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.53Å; V114-F138 HydrophobicContact CG2-CE2 4.39Å; V114-L177 HydrophobicContact CB-CD2 4.16Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å
115A97.1Very high95.3Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-125.3137.1171.300000111.4T108 T109 C110 V135 E136 V137 F138T108-A115 HydrophobicContact CG2-CB 4.47Å; T109-A115 CarbonylContact O-C 3.53Å; T109-A115 WeakPolarHBondContact O-CA 3.45Å; C110-A115 HydrophobicContact CB-CB 3.66Å; A115-V135 HydrophobicContact CB-CG2 3.63Å; A115-E136 PolarHBondContact N-O 2.92Å; A115-V137 HydrophobicContact CB-CG2 4.4Å; A115-V137 WeakPolarHBondContact O-CA 3.43Å; A115-F138 PolarHBondContact O-N 3.27Å
116L96.5Very high95.3Very high0 Ų039.7 Ų39.70%019%0.186CC..EExtended strand (participates in β ladder)trans-96.3134164.2-55.4-179.4000109.1T108 T109 F138 Q140 V148 F154 L173 L176 L177T108-L116 WeakPolarHBondContact CA-O 3.35Å; T109-L116 HydrophobicContact CG2-CB 4Å; T109-L116 PolarHBondContact N-O 3.03Å; T109-L116 PolarHBondContact O-N 3.22Å; L116-F138 WeakPolarHBondContact CA-O 3.44Å; L116-F138 HydrophobicContact CD2-CB 4.06Å; L116-Q140 HydrophobicContact CD2-CB 4.27Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.09Å; L116-V148 WeakPolarHBondContact O-CG2 3.49Å; L116-F154 HydrophobicContact CD1-CE1 4.46Å; L116-F154 HydrophobicContact CG-CE1 4.32Å; L116-L173 HydrophobicContact CD1-CD2 4.18Å; L116-L176 HydrophobicContact CD2-CD2 3.97Å; L116-L177 HydrophobicContact CD1-CD1 4.14Å; L116-L177 HydrophobicContact CD1-CD2 4.21Å; L116-L177 HydrophobicContact CD2-CD2 3.72Å; L116-L177 HydrophobicContact CG-CD2 3.83Å
117V96.6Very high95.3Very high0 Ų043.2 Ų43.20%020%0.202CC..EExtended strand (participates in β ladder)trans-126.5156.5178.6-64.40000111.7V107 T108 L121 L129 V137 F138 R139 Q140V107-V117 CarbonylContact O-C 3.51Å; V107-V117 WeakPolarHBondContact O-CA 3.45Å; T108-V117 HydrophobicContact CG2-CG1 3.75Å; V117-L121 HydrophobicContact CB-CD2 3.78Å; V117-L121 HydrophobicContact CG1-CD2 3.77Å; V117-L121 HydrophobicContact CG2-CD2 4.11Å; V117-L129 HydrophobicContact CG1-CD1 3.84Å; V117-V137 HydrophobicContact CB-CG1 4.1Å; V117-V137 HydrophobicContact CG1-CG1 3.45Å; V117-V137 VanDerWaalsContact CG1-CG1 3.45Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; V117-F138 PolarHBondContact N-O 3.2Å; V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.75Å; V117-R139 WeakPolarHBondContact O-CA 3.36Å; V117-Q140 PolarHBondContact O-N 3.31Å; V117-Q140 VanDerWaalsContact O-N 3.13Å
118H96.1Very high95.3Very high13 Ų1343.8 Ų43.86%0.0620%0.204CC..  trans-53.8137170.4-174-74.3000111.5L101 V107 D120 L121 V146L101-H118 HydrophobicContact CD1-CB 4.34Å; V107-H118 HydrophobicContact CB-CB 3.84Å; V107-H118 HydrophobicContact CG1-CB 4.25Å; V107-H118 PolarHBondContact O-N 3Å; H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 3.75Å; H118-D120 PolarHBondContact CE1-OD2 3.18Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.15Å; H118-L121 VanDerWaalsContact O-CB 3.27Å; H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.46Å; H118-L121 VanDerWaalsContact O-N 3.07Å; H118-V146 PolarHBondContact CD2-O 3Å; H118-V146 VanDerWaalsContact NE2-CB 3.34Å; H118-V146 WeakPolarHBondContact NE2-CB 3.44Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.4Å
119P94.7Very high95.3Very high38 Ų3843.8 Ų43.825%0.24721%0.205CC..THydrogen-bonded Turntrans-57.7-37.7-177.2-27.835.5000114.9L121 R139 T141P119-L121 VanDerWaalsContact C-N 3.29Å; P119-L121 PolarHBondContact O-N 2.81Å; P119-R139 PolarHBondContact O-NH1 2.91Å; P119-T141 HydrophobicContact CG-CG2 3.75Å
120D93.8Very high95.4Very high107 Ų10745.2 Ų45.257%0.57222%0.217SC*.THydrogen-bonded Turntrans-87.620.4178.2-52.9-34.4000114.2H118H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 3.75Å; H118-D120 PolarHBondContact CE1-OD2 3.18Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.15Å
121L93.2Very high95.4Very high2 Ų249.2 Ų49.21%0.0124%0.238CC..  trans-66.6139.8175-163.977.5000110.6E99 V117 H118 P119 T125 E126 L129 R139E99-L121 HydrophobicContact CG-CD1 4.12Å; V117-L121 HydrophobicContact CB-CD2 3.78Å; V117-L121 HydrophobicContact CG1-CD2 3.77Å; V117-L121 HydrophobicContact CG2-CD2 4.11Å; H118-L121 VanDerWaalsContact O-CB 3.27Å; H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.46Å; H118-L121 VanDerWaalsContact O-N 3.07Å; P119-L121 VanDerWaalsContact C-N 3.29Å; P119-L121 PolarHBondContact O-N 2.81Å; L121-T125 HydrophobicContact CD1-CG2 3.88Å; L121-T125 HydrophobicContact CD2-CG2 3.81Å; L121-T125 HydrophobicContact CG-CG2 3.9Å; L121-E126 HydrophobicContact CD2-CB 4.35Å; L121-L129 HydrophobicContact CD2-CD1 3.52Å; L121-R139 PolarHBondContact O-NH1 3.23Å; L121-R139 PolarHBondContact O-NH2 3.22Å
122D93.9Very high95.4Very high80 Ų8048.9 Ų48.943%0.42824%0.236SC..  trans-64.2140.8177.5-73.1-23.4000110.5E99 E124 T125 E126E99-D122 PolarHBondContact OE2-N 2.9Å; D122-E124 VanDerWaalsContact C-N 3.25Å; D122-E124 PolarHBondContact O-N 3.34Å; D122-T125 WeakPolarHBondContact O-CB 3.42Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 VanDerWaalsContact O-N 3.14Å; D122-E126 PolarHBondContact O-N 2.98Å
123R93.7Very high95.4Very high181 Ų18148.5 Ų48.568%0.68323%0.234SC*.Hα-helixtrans-61.8-35.2-177.6-178.5178.91721586.2112.3E126 E127R123-E126 WeakPolarHBondContact O-CB 3.12Å; R123-E126 PolarHBondContact O-N 3.19Å; R123-E127 IonicContact CZ-OE1 3.05Å; R123-E127 IonicContact NE-OE1 3.47Å; R123-E127 PolarHBondContact NE-OE1 3.22Å; R123-E127 IonicContact NH2-OE1 2.9Å; R123-E127 WeakPolarHBondContact O-CG 3.15Å; R123-E127 PolarHBondContact O-N 3.48Å
124E93.9Very high95.5Very high142 Ų14248.5 Ų48.566%0.66424%0.237SC*.Hα-helixtrans-63.3-44.1175.5-176.8174.4-178.800111.2D122 E126 E127 I128D122-E124 VanDerWaalsContact C-N 3.25Å; D122-E124 PolarHBondContact O-N 3.34Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 2.77Å; E124-E127 PolarHBondContact O-N 2.82Å; E124-I128 HydrophobicContact CG-CD1 4.12Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 2.78Å
125T93.8Very high95.5Very high2 Ų248.6 Ų48.61%0.01224%0.237CC..Hα-helixtrans-60.7-41.4174.7-590000111.8V97 E99 L121 D122 I128 L129V97-T125 HydrophobicContact CG1-CG2 3.69Å; E99-T125 HydrophobicContact CB-CG2 4.31Å; E99-T125 HydrophobicContact CG-CG2 4.26Å; E99-T125 VanDerWaalsContact OE2-CB 3.28Å; E99-T125 WeakPolarHBondContact OE2-CB 3.38Å; E99-T125 PolarHBondContact OE2-OG1 3.16Å; L121-T125 HydrophobicContact CD1-CG2 3.88Å; L121-T125 HydrophobicContact CD2-CG2 3.81Å; L121-T125 HydrophobicContact CG-CG2 3.9Å; D122-T125 WeakPolarHBondContact O-CB 3.42Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 VanDerWaalsContact O-N 3.14Å; T125-I128 PolarHBondContact O-N 2.92Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.49Å
126E94.7Very high95.4Very high49 Ų4954.8 Ų54.823%0.22927%0.266CS..Hα-helixtrans-61.1-45.1175.9-176.8178.4160.800112.3L121 D122 R123 E124 I128 L129 A130 V137 R139L121-E126 HydrophobicContact CD2-CB 4.35Å; D122-E126 PolarHBondContact O-N 2.98Å; R123-E126 WeakPolarHBondContact O-CB 3.12Å; R123-E126 PolarHBondContact O-N 3.19Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 2.77Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.78Å; E126-L129 WeakPolarHBondContact O-CB 3.48Å; E126-L129 PolarHBondContact O-N 2.89Å; E126-A130 PolarHBondContact O-N 3.28Å; E126-V137 HydrophobicContact CG-CB 3.98Å; E126-V137 HydrophobicContact CG-CG1 3.75Å; E126-R139 IonicContact OE2-CZ 2.8Å; E126-R139 IonicContact OE2-NE 2.69Å; E126-R139 PolarHBondContact OE2-NE 2.79Å; E126-R139 IonicContact OE2-NH2 3.87Å; E126-R139 PolarHBondContact OE2-NH2 2.95Å
127E96.1Very high95.4Very high109 Ų10955.7 Ų55.751%0.50927%0.272SS..Hα-helixtrans-64.2-39.2176.9-71.5173.1-168.600111.5R123 E124 A130 D131R123-E127 IonicContact CZ-OE1 3.05Å; R123-E127 IonicContact NE-OE1 3.47Å; R123-E127 PolarHBondContact NE-OE1 3.22Å; R123-E127 IonicContact NH2-OE1 2.9Å; R123-E127 WeakPolarHBondContact O-CG 3.15Å; R123-E127 PolarHBondContact O-N 3.48Å; E124-E127 PolarHBondContact O-N 2.82Å; E127-A130 PolarHBondContact O-N 3Å; E127-D131 WeakPolarHBondContact O-CB 3.47Å; E127-D131 PolarHBondContact O-N 3.22Å
128I95.7Very high95.4Very high16 Ų1658.5 Ų58.58%0.08228%0.284CS..Hα-helixtrans-65.5-41.6174.9-66.8167.1000111.4L71 R95 V97 E124 T125 E126 D131 V132L71-I128 HydrophobicContact CD2-CG2 4.06Å; R95-I128 HydrophobicContact CG-CG2 4.48Å; V97-I128 HydrophobicContact CG2-CG2 3.97Å; E124-I128 HydrophobicContact CG-CD1 4.12Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 2.78Å; T125-I128 PolarHBondContact O-N 2.92Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.78Å; I128-D131 PolarHBondContact O-N 2.82Å; I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.14Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.02Å
129L95.6Very high95.4Very high2 Ų262.9 Ų62.91%0.0130%0.3CS..Hα-helixtrans-58.4-50.3175.6-86.3160.1000111.3V64 L71 T108 V117 L121 T125 E126 D131 L133 V137V64-L129 HydrophobicContact CG1-CD2 3.96Å; L71-L129 HydrophobicContact CD1-CB 4.36Å; L71-L129 HydrophobicContact CD1-CD2 3.26Å; L71-L129 HydrophobicContact CD1-CG 3.64Å; T108-L129 HydrophobicContact CG2-CD1 4.46Å; T108-L129 HydrophobicContact CG2-CD2 4.03Å; V117-L129 HydrophobicContact CG1-CD1 3.84Å; L121-L129 HydrophobicContact CD2-CD1 3.52Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.49Å; E126-L129 WeakPolarHBondContact O-CB 3.48Å; E126-L129 PolarHBondContact O-N 2.89Å; L129-D131 PolarHBondContact O-N 3.11Å; L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 VanDerWaalsContact O-CB 3.25Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 2.81Å; L129-V137 HydrophobicContact CB-CG2 4.07Å
130A96.7Very high95.3Very high38 Ų3863.9 Ų63.931%0.31430%0.301SS..Hα-helixtrans-60.9-43.7179.700000112.1E126 E127 K134 V135 V137E126-A130 PolarHBondContact O-N 3.28Å; E127-A130 PolarHBondContact O-N 3Å; A130-K134 WeakPolarHBondContact O-CA 3.4Å; A130-K134 PolarHBondContact O-N 3.32Å; A130-V135 WeakPolarHBondContact CA-O 3.26Å; A130-V135 PolarHBondContact O-N 3.44Å; A130-V137 HydrophobicContact CB-CG2 3.98Å
131D96.5Very high95.4Very high97 Ų9761.2 Ų61.252%0.51929%0.289SS..Hα-helixtrans-69.8-49.9-178.3-177.444.9000112.7R95 E127 I128 L129R95-D131 IonicContact NH1-OD2 3.17Å; E127-D131 WeakPolarHBondContact O-CB 3.47Å; E127-D131 PolarHBondContact O-N 3.22Å; I128-D131 PolarHBondContact O-N 2.82Å; L129-D131 PolarHBondContact O-N 3.11Å
132V96.4Very high95.3Very high0 Ų061.1 Ų61.10%029%0.289CS..Hα-helixtrans-74.8-43.1-174.1175.70000111.9L71 Q93 R95 I128L71-V132 HydrophobicContact CD2-CB 3.84Å; L71-V132 HydrophobicContact CD2-CG1 3.65Å; L71-V132 HydrophobicContact CD2-CG2 3.97Å; L71-V132 HydrophobicContact CG-CG1 4.27Å; Q93-V132 HydrophobicContact CB-CG1 4.23Å; Q93-V132 HydrophobicContact CG-CG1 4.28Å; Q93-V132 WeakPolarHBondContact O-CG1 3.44Å; R95-V132 HydrophobicContact CB-CG2 4.07Å; R95-V132 HydrophobicContact CG-CG2 4.5Å; I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.14Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.02Å
133L96.6Very high95.2Very high0 Ų058.1 Ų58.10%028%0.275CS..Hα-helixtrans-85-14.1180-56.4-175.7000112V64 N66 H68 G69 L71 L129 V135V64-L133 HydrophobicContact CG2-CD1 4.21Å; N66-L133 PolarHBondContact ND2-O 2.97Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 2.84Å; G69-L133 WeakPolarHBondContact O-CD2 3.49Å; L71-L133 HydrophobicContact CD1-CD1 4.43Å; L71-L133 HydrophobicContact CD1-CG 4.34Å; L71-L133 HydrophobicContact CG-CD2 4.46Å; L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 VanDerWaalsContact O-CB 3.25Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 2.81Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 HydrophobicContact CB-CG1 4.14Å; L133-V135 HydrophobicContact CB-CG2 3.81Å; L133-V135 WeakPolarHBondContact O-CG1 3.3Å; L133-V135 PolarHBondContact O-N 3.15Å
134K96.6Very high95.1Very high136 Ų13656.8 Ų56.859%0.59128%0.281SS*.THydrogen-bonded Turntrans57.344.4-176.9-55.5-177.7179.9176.20112.8H68 A130H68-K134 HydrophobicContact CB-CB 4.41Å; H68-K134 HydrophobicContact CB-CD 4.23Å; H68-K134 HydrophobicContact CB-CG 4.26Å; A130-K134 WeakPolarHBondContact O-CA 3.4Å; A130-K134 PolarHBondContact O-N 3.32Å
135V96.7Very high95.1Very high9 Ų953.5 Ų53.56%0.05527%0.266CS..  trans-125.5153-176.4-61.10000111.5N66 Y113 A115 A130 L133 V137N66-V135 WeakPolarHBondContact ND2-CG1 3.14Å; Y113-V135 CarbonylContact O-C 3.58Å; Y113-V135 VanDerWaalsContact O-CA 3.25Å; Y113-V135 WeakPolarHBondContact O-CA 3.24Å; Y113-V135 WeakPolarHBondContact O-CB 3.26Å; A115-V135 HydrophobicContact CB-CG2 3.63Å; A130-V135 WeakPolarHBondContact CA-O 3.26Å; A130-V135 PolarHBondContact O-N 3.44Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 HydrophobicContact CB-CG1 4.14Å; L133-V135 HydrophobicContact CB-CG2 3.81Å; L133-V135 WeakPolarHBondContact O-CG1 3.3Å; L133-V135 PolarHBondContact O-N 3.15Å; V135-V137 HydrophobicContact CG2-CG2 4.25Å
136E96.2Very high95.1Very high129 Ų12956.2 Ų56.260%0.60328%0.282SS*.EExtended strand (participates in β ladder)trans-74.7129.8165.7-64.1-173.3171.900109.4Y113 V114 A115 F138Y113-E136 PolarHBondContact O-N 2.92Å; V114-E136 CarbonylContact C-O 3.56Å; V114-E136 WeakPolarHBondContact CA-O 3.36Å; A115-E136 PolarHBondContact N-O 2.92Å; E136-F138 HydrophobicContact CB-CE2 3.89Å; E136-F138 HydrophobicContact CB-CZ 4.06Å
137V96.6Very high95.1Very high20 Ų2056.7 Ų56.712%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-104.2126.7-176.2-175.90000109.6A115 V117 E126 L129 A130 V135A115-V137 HydrophobicContact CB-CG2 4.4Å; A115-V137 WeakPolarHBondContact O-CA 3.43Å; V117-V137 HydrophobicContact CB-CG1 4.1Å; V117-V137 HydrophobicContact CG1-CG1 3.45Å; V117-V137 VanDerWaalsContact CG1-CG1 3.45Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; E126-V137 HydrophobicContact CG-CB 3.98Å; E126-V137 HydrophobicContact CG-CG1 3.75Å; L129-V137 HydrophobicContact CB-CG2 4.07Å; A130-V137 HydrophobicContact CB-CG2 3.98Å; V135-V137 HydrophobicContact CG2-CG2 4.25Å
138F96.3Very high95.1Very high59 Ų5951.5 Ų51.526%0.25926%0.262SS..EExtended strand (participates in β ladder)trans-120.6126.5176.6-60.3-73.2000111.2V114 A115 L116 V117 E136 Q140 L176V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.53Å; V114-F138 HydrophobicContact CG2-CE2 4.39Å; A115-F138 PolarHBondContact O-N 3.27Å; L116-F138 WeakPolarHBondContact CA-O 3.44Å; L116-F138 HydrophobicContact CD2-CB 4.06Å; V117-F138 PolarHBondContact N-O 3.2Å; E136-F138 HydrophobicContact CB-CE2 3.89Å; E136-F138 HydrophobicContact CB-CZ 4.06Å; F138-Q140 PolarHBondContact O-N 3.06Å; F138-L176 HydrophobicContact CB-CD2 3.86Å; F138-L176 HydrophobicContact CD1-CD1 3.74Å; F138-L176 HydrophobicContact CD1-CD2 4.47Å; F138-L176 HydrophobicContact CD1-CG 4.47Å; F138-L176 HydrophobicContact CD2-CD1 3.8Å; F138-L176 HydrophobicContact CD2-CD2 4.05Å; F138-L176 HydrophobicContact CD2-CG 3.81Å; F138-L176 HydrophobicContact CE1-CD1 3.7Å; F138-L176 HydrophobicContact CE2-CD1 3.77Å; F138-L176 HydrophobicContact CE2-CG 4.09Å; F138-L176 HydrophobicContact CG-CD1 3.79Å; F138-L176 HydrophobicContact CG-CD2 3.88Å; F138-L176 HydrophobicContact CG-CG 4.03Å; F138-L176 HydrophobicContact CZ-CD1 3.73Å
139R95.4Very high95.1Very high104 Ų10450.9 Ų50.939%0.39226%0.26SS..EExtended strand (participates in β ladder)trans-77.1116.6170.9-69.3172.5-174.7-125.8-2.6108.8V117 P119 L121 E126V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.75Å; V117-R139 WeakPolarHBondContact O-CA 3.36Å; P119-R139 PolarHBondContact O-NH1 2.91Å; L121-R139 PolarHBondContact O-NH1 3.23Å; L121-R139 PolarHBondContact O-NH2 3.22Å; E126-R139 IonicContact OE2-CZ 2.8Å; E126-R139 IonicContact OE2-NE 2.69Å; E126-R139 PolarHBondContact OE2-NE 2.79Å; E126-R139 IonicContact OE2-NH2 3.87Å; E126-R139 PolarHBondContact OE2-NH2 2.95Å
140Q93.9Very high95.1Very high59 Ų5951 Ų5128%0.27626%0.26SS..  trans-151164.6-176.3-166.752.1-44.800112.3L116 V117 F138 V148 L173L116-Q140 HydrophobicContact CD2-CB 4.27Å; V117-Q140 PolarHBondContact O-N 3.31Å; V117-Q140 VanDerWaalsContact O-N 3.13Å; F138-Q140 PolarHBondContact O-N 3.06Å; Q140-V148 WeakPolarHBondContact O-CG1 3.08Å; Q140-L173 HydrophobicContact CG-CD2 3.51Å
141T94.3Very high95.1Very high51 Ų5150.8 Ų50.831%0.31325%0.252SS..  trans-114.8157170.357.70000110.6P119 Q145 V146P119-T141 HydrophobicContact CG-CG2 3.75Å; T141-Q145 WeakPolarHBondContact CA-O 3.39Å; T141-Q145 WeakPolarHBondContact CB-O 3.44Å; T141-V146 HydrophobicContact CG2-CG1 4.19Å
142V92.3Very high95.1Very high0 Ų046.1 Ų46.10%023%0.227CC..BIsolated β-bridgetrans-125.4115.5176.5176.90000107.9D144 Q145 V148 C152 V161 H162 L173V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 PolarHBondContact O-N 2.99Å; V142-Q145 PolarHBondContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.24Å; V142-Q145 WeakPolarHBondContact O-CB 3.33Å; V142-Q145 PolarHBondContact O-N 2.79Å; V142-V148 HydrophobicContact CG2-CB 4.37Å; V142-V148 HydrophobicContact CG2-CG1 4.01Å; V142-C152 HydrophobicContact CG2-CB 4.07Å; V142-V161 HydrophobicContact CG1-CB 4.13Å; V142-H162 HydrophobicContact CG1-CB 3.99Å; V142-L173 HydrophobicContact CG2-CD1 4.27Å
143A92Very high95.1Very high18 Ų1846.9 Ų46.915%0.14923%0.232CC..THydrogen-bonded Turntrans5149.7-175.300000113.3Q145 H162 K164A143-Q145 PolarHBondContact O-N 3.16Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.33Å; A143-K164 HydrophobicContact CB-CB 4.44Å
144D90.9Very high95.1Very high152 Ų15247.3 Ų47.381%0.81323%0.233SC*.THydrogen-bonded Turntrans59.710.1-174.7-57.9-47.5000115.2V142V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 PolarHBondContact O-N 2.99Å
145Q93.2Very high95.1Very high74 Ų7441 Ų4135%0.34621%0.207SC..BIsolated β-bridgetrans-97133.6175.4-58.9-65.6-27.100111T141 V142 A143 Y151T141-Q145 WeakPolarHBondContact CA-O 3.39Å; T141-Q145 WeakPolarHBondContact CB-O 3.44Å; V142-Q145 PolarHBondContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.24Å; V142-Q145 WeakPolarHBondContact O-CB 3.33Å; V142-Q145 PolarHBondContact O-N 2.79Å; A143-Q145 PolarHBondContact O-N 3.16Å; Q145-Y151 HydrophobicContact CB-CD2 3.4Å; Q145-Y151 HydrophobicContact CB-CE2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CE2 3.45Å; Q145-Y151 HydrophobicContact CB-CG 4.33Å; Q145-Y151 HydrophobicContact CG-CD2 3.83Å; Q145-Y151 HydrophobicContact CG-CE2 3.58Å; Q145-Y151 HydrophobicContact CG-CG 4.49Å
146V94.6Very high95Very high58 Ų5841.9 Ų41.935%0.35221%0.211SC..SBendtrans-81.6-20.5178.9-61.60000113.3H118 T141 V148H118-V146 PolarHBondContact CD2-O 3Å; H118-V146 VanDerWaalsContact NE2-CB 3.34Å; H118-V146 WeakPolarHBondContact NE2-CB 3.44Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.4Å; T141-V146 HydrophobicContact CG2-CG1 4.19Å; V146-V148 PolarHBondContact O-N 2.79Å
147L95.2Very high94.9Very high59 Ų5939 Ų3931%0.30920%0.198SC..  trans-8364.9179.7-60.2-179000111.2N106 V107 G149 S150 Y151N106-L147 CarbonylContact O-C 3.3Å; N106-L147 VanDerWaalsContact O-C 3.3Å; N106-L147 WeakPolarHBondContact O-CA 3.4Å; V107-L147 HydrophobicContact CG1-CD2 3.88Å; L147-G149 PolarHBondContact O-N 3.07Å; L147-G149 VanDerWaalsContact O-N 3.15Å; L147-S150 WeakPolarHBondContact O-CB 3.08Å; L147-S150 PolarHBondContact O-N 3.1Å; L147-Y151 HydrophobicContact CB-CD2 4.13Å; L147-Y151 HydrophobicContact CB-CE2 3.98Å; L147-Y151 WeakPolarHBondContact O-CD2 3.09Å; L147-Y151 PolarHBondContact O-N 3.04Å
148V95.4Very high94.9Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-54.1-36.5-177-62.20000112.6V107 T109 L116 Q140 V142 V146 S150 Y151 C152V107-V148 VanDerWaalsContact O-CG2 3.27Å; V107-V148 WeakPolarHBondContact O-CG2 3.2Å; T109-V148 HydrophobicContact CG2-CB 4.29Å; T109-V148 HydrophobicContact CG2-CG2 4.27Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.09Å; L116-V148 WeakPolarHBondContact O-CG2 3.49Å; Q140-V148 WeakPolarHBondContact O-CG1 3.08Å; V142-V148 HydrophobicContact CG2-CB 4.37Å; V142-V148 HydrophobicContact CG2-CG1 4.01Å; V146-V148 PolarHBondContact O-N 2.79Å; V148-S150 PolarHBondContact O-N 2.99Å; V148-Y151 PolarHBondContact O-N 3.14Å; V148-C152 WeakPolarHBondContact O-CB 3.19Å; V148-C152 PolarHBondContact O-N 2.94Å
149G95.4Very high94.9Very high3 Ų335.3 Ų35.33%0.03118%0.18CC..Hα-helixtrans-67.1-20.3177.600000114.6G105 N106 L147 A194G105-G149 CarbonylContact O-C 3.53Å; G105-G149 WeakPolarHBondContact O-CA 3.46Å; N106-G149 CarbonylContact O-C 3.36Å; N106-G149 VanDerWaalsContact O-CA 3.25Å; N106-G149 WeakPolarHBondContact O-CA 3.05Å; N106-G149 PolarHBondContact O-N 3.05Å; L147-G149 PolarHBondContact O-N 3.07Å; L147-G149 VanDerWaalsContact O-N 3.15Å; G149-A194 WeakPolarHBondContact O-CB 3.32Å
150S96Very high95Very high4 Ų430.4 Ų30.43%0.02816%0.161CC..Hα-helixtrans-86.8-33.7174.9-62.10000112.9R61 N106 L147 V148 V192 I193 A194R61-S150 PolarHBondContact NH1-OG 3.21Å; N106-S150 PolarHBondContact O-N 3.36Å; N106-S150 PolarHBondContact OD1-OG 2.93Å; L147-S150 WeakPolarHBondContact O-CB 3.08Å; L147-S150 PolarHBondContact O-N 3.1Å; V148-S150 PolarHBondContact O-N 2.99Å; S150-V192 CarbonylContact O-C 3.48Å; S150-I193 PolarHBondContact O-N 3.3Å; S150-A194 PolarHBondContact O-N 3.1Å; S150-A194 VanDerWaalsContact O-N 3.13Å
151Y96.8Very high95.1Very high34 Ų3427.6 Ų27.613%0.13315%0.148CC..Hα-helixtrans-109.2-2.2-166.7-62.4-61.8000114.1Q145 L147 V148 V161 H162 E191 V192Q145-Y151 HydrophobicContact CB-CD2 3.4Å; Q145-Y151 HydrophobicContact CB-CE2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CE2 3.45Å; Q145-Y151 HydrophobicContact CB-CG 4.33Å; Q145-Y151 HydrophobicContact CG-CD2 3.83Å; Q145-Y151 HydrophobicContact CG-CE2 3.58Å; Q145-Y151 HydrophobicContact CG-CG 4.49Å; L147-Y151 HydrophobicContact CB-CD2 4.13Å; L147-Y151 HydrophobicContact CB-CE2 3.98Å; L147-Y151 WeakPolarHBondContact O-CD2 3.09Å; L147-Y151 PolarHBondContact O-N 3.04Å; V148-Y151 PolarHBondContact O-N 3.14Å; Y151-V161 CarbonylContact O-C 3.54Å; Y151-H162 AromaticContact CD1-CD2 3.58Å; Y151-H162 PolarHBondContact O-N 3.42Å; Y151-E191 HydrophobicContact CE1-CG 4.49Å; Y151-V192 HydrophobicContact CE1-CG2 4.28Å
152C96.1Very high95.2Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-139.9128.5178.5178.20000110.7T109 V142 V148 L160 V161T109-C152 WeakPolarHBondContact CB-O 3.46Å; T109-C152 HydrophobicContact CG2-CB 4.13Å; T109-C152 PolarHBondContact OG1-O 3.47Å; V142-C152 HydrophobicContact CG2-CB 4.07Å; V148-C152 WeakPolarHBondContact O-CB 3.19Å; V148-C152 PolarHBondContact O-N 2.94Å; C152-L160 WeakPolarHBondContact CA-O 3.29Å; C152-V161 HydrophobicContact CB-CG1 4.3Å
153V96.9Very high95.4Very high16 Ų1627.8 Ų27.810%0.09715%0.15CC..EExtended strand (participates in β ladder)trans-127.9127.2171.41780000107.7G159 L160 I193 A194 V199V153-G159 CarbonylContact O-C 3.51Å; V153-G159 VanDerWaalsContact O-CA 3.24Å; V153-G159 WeakPolarHBondContact O-CA 3.36Å; V153-L160 PolarHBondContact N-O 2.93Å; V153-L160 PolarHBondContact O-N 3.15Å; V153-I193 HydrophobicContact CB-CG2 4.05Å; V153-I193 HydrophobicContact CG2-CB 4.37Å; V153-I193 HydrophobicContact CG2-CG2 3.84Å; V153-A194 HydrophobicContact CG2-CB 3.5Å; V153-A194 VanDerWaalsContact CG2-CB 3.5Å; V153-V199 HydrophobicContact CG1-CG1 3.38Å
154F96.5Very high95.5Very high8 Ų834.3 Ų34.34%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-142.3153.8176.964.7-80.1000111.3T109 N111 L116 G158 L177 V179T109-F154 HydrophobicContact CG2-CD1 4.24Å; T109-F154 HydrophobicContact CG2-CE1 3.66Å; T109-F154 WeakPolarHBondContact OG1-CE1 3.43Å; N111-F154 HydrophobicContact CB-CD2 3.65Å; N111-F154 HydrophobicContact CB-CE2 3.57Å; N111-F154 VanDerWaalsContact CG-CE2 3.44Å; N111-F154 VanDerWaalsContact N-CE2 3.31Å; L116-F154 HydrophobicContact CD1-CE1 4.46Å; L116-F154 HydrophobicContact CG-CE1 4.32Å; F154-G158 WeakPolarHBondContact CA-O 3.37Å; F154-L177 HydrophobicContact CD1-CD1 3.98Å; F154-L177 HydrophobicContact CD2-CD1 4.02Å; F154-L177 HydrophobicContact CD2-CD2 4.48Å; F154-L177 HydrophobicContact CE1-CD1 4.06Å; F154-L177 HydrophobicContact CE1-CD2 4.29Å; F154-L177 HydrophobicContact CE2-CD1 4.1Å; F154-L177 HydrophobicContact CE2-CD2 3.79Å; F154-L177 HydrophobicContact CE2-CG 4.42Å; F154-L177 HydrophobicContact CG-CD1 3.95Å; F154-L177 HydrophobicContact CZ-CD1 4.13Å; F154-L177 HydrophobicContact CZ-CD2 3.68Å; F154-V179 HydrophobicContact CD2-CG2 4.47Å
155S95.8Very high95.7Very high5 Ų527.4 Ų27.44%0.03514%0.138CC..  trans-115.2-169.4174.9690000108.7N111 Q157 G158 D201 F222N111-S155 PolarHBondContact ND2-O 2.93Å; S155-Q157 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact OG-N 3.19Å; S155-G158 PolarHBondContact N-O 3.07Å; S155-G158 PolarHBondContact OG-N 3.39Å; S155-G158 PolarHBondContact OG-O 3.18Å; S155-D201 WeakPolarHBondContact CB-OD1 3.38Å; S155-F222 VanDerWaalsContact OG-CD1 3.29Å; S155-F222 WeakPolarHBondContact OG-CD1 2.99Å
156N95.7Very high95.8Very high27 Ų2726.1 Ų26.114%0.14414%0.138CC..SBendtrans-75.4-11.4171.7-56.8-39.6000112.7N21 N111 D112 Y113 V179 D201N21-N156 PolarHBondContact ND2-ND2 3.44Å; N111-N156 WeakPolarHBondContact CB-OD1 3.39Å; D112-N156 PolarHBondContact N-OD1 3.39Å; D112-N156 VanDerWaalsContact N-OD1 3.08Å; D112-N156 PolarHBondContact OD2-ND2 2.79Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.27Å; Y113-N156 HydrophobicContact CE2-CB 4.21Å; Y113-N156 WeakPolarHBondContact CE2-OD1 3.35Å; N156-V179 WeakPolarHBondContact O-CG1 3.48Å; N156-D201 WeakPolarHBondContact CB-OD1 3.35Å; N156-D201 PolarHBondContact N-OD1 3.17Å; N156-D201 PolarHBondContact ND2-OD1 3Å; N156-D201 PolarHBondContact ND2-OD2 2.86Å
157Q94.3Very high95.8Very high69 Ų6929.4 Ų29.432%0.32215%0.152SC..SBendtrans-99.4-27.5-176.2-62.1-54.9-37.200114.3S155 P180 D201S155-Q157 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact OG-N 3.19Å; Q157-P180 VanDerWaalsContact O-CD 3.32Å; Q157-P180 WeakPolarHBondContact O-CD 3.25Å; Q157-P180 WeakPolarHBondContact O-CG 3.49Å; Q157-D201 HydrophobicContact CG-CB 4.33Å
158G96Very high95.8Very high0 Ų033.8 Ų33.80%017%0.171CC..  trans173.5175.8-173.500000111.9F154 S155 P180 F222F154-G158 WeakPolarHBondContact CA-O 3.37Å; S155-G158 PolarHBondContact N-O 3.07Å; S155-G158 PolarHBondContact OG-N 3.39Å; S155-G158 PolarHBondContact OG-O 3.18Å; G158-P180 CarbonylContact C-O 3.54Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.32Å; G158-F222 WeakPolarHBondContact O-CD1 3.46Å; G158-F222 WeakPolarHBondContact O-CE1 3.46Å
159G96.5Very high95.8Very high0 Ų036.9 Ų36.90%019%0.187CC..EExtended strand (participates in β ladder)trans-151.7157.8179.500000114.7V153 P180 L181 V182 V221V153-G159 CarbonylContact O-C 3.51Å; V153-G159 VanDerWaalsContact O-CA 3.24Å; V153-G159 WeakPolarHBondContact O-CA 3.36Å; G159-P180 PolarHBondContact N-O 3.2Å; G159-L181 WeakPolarHBondContact O-CA 3.28Å; G159-V182 PolarHBondContact O-N 3.05Å; G159-V221 WeakPolarHBondContact O-CG2 3.48Å
160L97.1Very high95.8Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-116.5126.6177.3-165.674.6000108.9C152 V153 V182 V186 I193 M197 V217 V218 F222C152-L160 WeakPolarHBondContact CA-O 3.29Å; V153-L160 PolarHBondContact N-O 2.93Å; V153-L160 PolarHBondContact O-N 3.15Å; L160-V182 WeakPolarHBondContact CA-O 3.47Å; L160-V182 HydrophobicContact CD1-CB 4.5Å; L160-V182 WeakPolarHBondContact CD1-O 3.43Å; L160-V186 HydrophobicContact CD2-CG1 4.15Å; L160-I193 HydrophobicContact CB-CG2 4.08Å; L160-I193 HydrophobicContact CD2-CD1 4.05Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.16Å; L160-M197 HydrophobicContact CD2-SD 3.87Å; L160-V217 HydrophobicContact CD1-CG1 4.18Å; L160-V218 HydrophobicContact CD2-CG2 4.19Å; L160-F222 HydrophobicContact CB-CE2 4.1Å; L160-F222 HydrophobicContact CB-CZ 4.32Å
161V97Very high95.8Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-116.1167.6179.8-61.60000111.2V142 Y151 C152 T165 Q170 L181 V182 A183 G184V142-V161 HydrophobicContact CG1-CB 4.13Å; Y151-V161 CarbonylContact O-C 3.54Å; C152-V161 HydrophobicContact CB-CG1 4.3Å; V161-T165 HydrophobicContact CG2-CG2 4.17Å; V161-Q170 HydrophobicContact CG2-CG 3.99Å; V161-L181 HydrophobicContact CG1-CD1 4.13Å; V161-L181 HydrophobicContact CG1-CD2 4.3Å; V161-V182 PolarHBondContact N-O 3.22Å; V161-A183 HydrophobicContact CG2-CB 4.21Å; V161-A183 WeakPolarHBondContact O-CA 3.38Å; V161-G184 PolarHBondContact O-N 2.8Å; V161-G184 VanDerWaalsContact O-N 3.1Å
162H96.6Very high95.7Very high5 Ų547 Ų472%0.02324%0.238CC..  trans-46.8139175.4-169.8-92000112.6V142 A143 Y151 K164 T165 E191V142-H162 HydrophobicContact CG1-CB 3.99Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.33Å; Y151-H162 AromaticContact CD1-CD2 3.58Å; Y151-H162 PolarHBondContact O-N 3.42Å; H162-K164 WeakPolarHBondContact ND1-CB 3.34Å; H162-K164 PolarHBondContact ND1-N 3.08Å; H162-K164 VanDerWaalsContact ND1-N 3.13Å; H162-K164 PolarHBondContact O-N 3.43Å; H162-K164 VanDerWaalsContact O-N 3.15Å; H162-T165 WeakPolarHBondContact O-CB 3.41Å; H162-T165 PolarHBondContact O-N 3.12Å; H162-T165 PolarHBondContact O-OG1 3.16Å; H162-E191 IonicContact CE1-OE2 3.94Å; H162-E191 WeakPolarHBondContact NE2-CB 2.87Å; H162-E191 VanDerWaalsContact NE2-CD 3.32Å; H162-E191 IonicContact NE2-OE1 3.22Å; H162-E191 IonicContact NE2-OE2 3.79Å; H162-E191 PolarHBondContact NE2-OE2 3.13Å
163P95.4Very high95.7Very high51 Ų5147.1 Ų47.133%0.33124%0.239SC..THydrogen-bonded Turntrans-65.4-21-174.226.5-36.4000114.2G184 T185 E191P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.34Å; P163-T185 HydrophobicContact CB-CG2 3.92Å; P163-T185 HydrophobicContact CG-CG2 3.82Å; P163-E191 HydrophobicContact CG-CB 3.94Å
164K95.4Very high95.6Very high155 Ų15547.8 Ų47.867%0.67424%0.244SC*.THydrogen-bonded Turntrans-912.6177.2-57.2-178.2-173.3141.30114.1A143 H162 S166 E191A143-K164 HydrophobicContact CB-CB 4.44Å; H162-K164 WeakPolarHBondContact ND1-CB 3.34Å; H162-K164 PolarHBondContact ND1-N 3.08Å; H162-K164 VanDerWaalsContact ND1-N 3.13Å; H162-K164 PolarHBondContact O-N 3.43Å; H162-K164 VanDerWaalsContact O-N 3.15Å; K164-S166 PolarHBondContact O-N 2.99Å; K164-E191 IonicContact NZ-OE2 3.27Å
165T94.6Very high95.5Very high6 Ų651.9 Ų51.94%0.03727%0.273CS..  trans-63.9128.4175.3-52.40000108.9V161 H162 D169 Q170 L173V161-T165 HydrophobicContact CG2-CG2 4.17Å; H162-T165 WeakPolarHBondContact O-CB 3.41Å; H162-T165 PolarHBondContact O-N 3.12Å; H162-T165 PolarHBondContact O-OG1 3.16Å; T165-D169 HydrophobicContact CG2-CB 3.67Å; T165-Q170 HydrophobicContact CG2-CG 3.81Å; T165-Q170 PolarHBondContact O-NE2 3.48Å; T165-L173 HydrophobicContact CG2-CD1 4.44Å
166S95.1Very high95.4Very high48 Ų4854.1 Ų54.134%0.33629%0.285SS..  trans-65.9162.7-179.976.70000111K164 E168 D169 Q170K164-S166 PolarHBondContact O-N 2.99Å; S166-E168 VanDerWaalsContact C-N 3.28Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 2.89Å; S166-D169 PolarHBondContact O-N 3.46Å; S166-D169 WeakPolarHBondContact OG-CB 3.13Å; S166-D169 PolarHBondContact OG-N 2.76Å; S166-D169 PolarHBondContact OG-OD2 3.39Å; S166-Q170 WeakPolarHBondContact O-CB 3.25Å; S166-Q170 VanDerWaalsContact O-CG 3.31Å; S166-Q170 WeakPolarHBondContact O-CG 3.43Å; S166-Q170 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-NE2 3.46Å; S166-Q170 VanDerWaalsContact O-NE2 3.16Å
167I95.2Very high95.4Very high127 Ų12753 Ų5365%0.65128%0.279SS*.Hα-helixtrans-65.9-38176.7-62.3173.1000109.9Q170 D171I167-Q170 WeakPolarHBondContact O-CB 3.44Å; I167-Q170 PolarHBondContact O-N 2.96Å; I167-D171 PolarHBondContact O-N 3.06Å
168E95.2Very high95.4Very high150 Ų15057.7 Ų57.770%0.70130%0.301SS*.Hα-helixtrans-61-49.2176.5-63.6176.2-177.900110.8S166 Q170 D171 E172S166-E168 VanDerWaalsContact C-N 3.28Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 2.98Å; E168-D171 PolarHBondContact O-N 3.46Å; E168-E172 WeakPolarHBondContact O-CG 3.3Å; E168-E172 PolarHBondContact O-N 3.09Å
169D94.6Very high95.4Very high66 Ų6658.1 Ų58.135%0.35330%0.303SS..Hα-helixtrans-63.3-36176.7-59.4-38.2000112T165 S166 L173T165-D169 HydrophobicContact CG2-CB 3.67Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 2.89Å; S166-D169 PolarHBondContact O-N 3.46Å; S166-D169 WeakPolarHBondContact OG-CB 3.13Å; S166-D169 PolarHBondContact OG-N 2.76Å; S166-D169 PolarHBondContact OG-OD2 3.39Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 2.92Å
170Q95.4Very high95.3Very high30 Ų3061 Ų6114%0.1432%0.322CS..Hα-helixtrans-62.7-44.4175.5-80.6171.182.600111.5V161 T165 S166 I167 E168 S174V161-Q170 HydrophobicContact CG2-CG 3.99Å; T165-Q170 HydrophobicContact CG2-CG 3.81Å; T165-Q170 PolarHBondContact O-NE2 3.48Å; S166-Q170 WeakPolarHBondContact O-CB 3.25Å; S166-Q170 VanDerWaalsContact O-CG 3.31Å; S166-Q170 WeakPolarHBondContact O-CG 3.43Å; S166-Q170 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-NE2 3.46Å; S166-Q170 VanDerWaalsContact O-NE2 3.16Å; I167-Q170 WeakPolarHBondContact O-CB 3.44Å; I167-Q170 PolarHBondContact O-N 2.96Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 2.98Å; Q170-S174 WeakPolarHBondContact O-CB 3.4Å; Q170-S174 PolarHBondContact O-N 3.29Å
171D96Very high95.3Very high102 Ų10261.8 Ų61.855%0.54533%0.326SS..Hα-helixtrans-67.7-39.6179.1-72.5-23.2000111.8I167 E168 S175I167-D171 PolarHBondContact O-N 3.06Å; E168-D171 PolarHBondContact O-N 3.46Å; D171-S175 WeakPolarHBondContact O-CB 3.03Å; D171-S175 PolarHBondContact O-N 3.3Å; D171-S175 PolarHBondContact O-OG 2.82Å
172E94.9Very high95.3Very high120 Ų12064.3 Ų64.356%0.56134%0.342SS*.Hα-helixtrans-63.1-50.5174.1-72.6-173.5-178.500111.7E168 S174 S175 L176E168-E172 WeakPolarHBondContact O-CG 3.3Å; E168-E172 PolarHBondContact O-N 3.09Å; E172-S174 VanDerWaalsContact C-N 3.33Å; E172-S174 PolarHBondContact O-N 3.38Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.88Å
173L94.9Very high95.3Very high4 Ų465.4 Ų65.42%0.02135%0.352CS..Hα-helixtrans-63.9-38.9177.4-72.8172.4000111.7L116 Q140 V142 T165 D169 S175 L176 L177 L181L116-L173 HydrophobicContact CD1-CD2 4.18Å; Q140-L173 HydrophobicContact CG-CD2 3.51Å; V142-L173 HydrophobicContact CG2-CD1 4.27Å; T165-L173 HydrophobicContact CG2-CD1 4.44Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 2.92Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.28Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.34Å; L173-L181 HydrophobicContact CB-CD1 3.34Å
174S95.4Very high95.3Very high29 Ų2963.7 Ų63.720%0.20334%0.343CS..Hα-helixtrans-64.4-40177.7-177.40000111.3Q170 E172 Q178 V179Q170-S174 WeakPolarHBondContact O-CB 3.4Å; Q170-S174 PolarHBondContact O-N 3.29Å; E172-S174 VanDerWaalsContact C-N 3.33Å; E172-S174 PolarHBondContact O-N 3.38Å; S174-Q178 WeakPolarHBondContact O-CA 3.41Å; S174-Q178 PolarHBondContact O-N 3.48Å; S174-V179 WeakPolarHBondContact CA-O 3.41Å; S174-V179 WeakPolarHBondContact CB-O 3.41Å; S174-V179 PolarHBondContact O-N 3Å; S174-V179 PolarHBondContact OG-O 3.19Å
175S95.2Very high95.3Very high94 Ų9458.1 Ų58.166%0.65732%0.322SS*.Hα-helixtrans-65.5-40.4174.9-60.20000112D171 E172 L173D171-S175 WeakPolarHBondContact O-CB 3.03Å; D171-S175 PolarHBondContact O-N 3.3Å; D171-S175 PolarHBondContact O-OG 2.82Å; E172-S175 PolarHBondContact O-N 3.04Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.84Å
176L93.8Very high95.4Very high53 Ų5357.8 Ų57.828%0.27732%0.32SS..Hα-helixtrans-67-46.8178.1-17467.5000112.3L116 F138 E172 L173 Q178L116-L176 HydrophobicContact CD2-CD2 3.97Å; F138-L176 HydrophobicContact CB-CD2 3.86Å; F138-L176 HydrophobicContact CD1-CD1 3.74Å; F138-L176 HydrophobicContact CD1-CD2 4.47Å; F138-L176 HydrophobicContact CD1-CG 4.47Å; F138-L176 HydrophobicContact CD2-CD1 3.8Å; F138-L176 HydrophobicContact CD2-CD2 4.05Å; F138-L176 HydrophobicContact CD2-CG 3.81Å; F138-L176 HydrophobicContact CE1-CD1 3.7Å; F138-L176 HydrophobicContact CE2-CD1 3.77Å; F138-L176 HydrophobicContact CE2-CG 4.09Å; F138-L176 HydrophobicContact CG-CD1 3.79Å; F138-L176 HydrophobicContact CG-CD2 3.88Å; F138-L176 HydrophobicContact CG-CG 4.03Å; F138-L176 HydrophobicContact CZ-CD1 3.73Å; E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.88Å; L173-L176 PolarHBondContact O-N 3.28Å; L176-Q178 VanDerWaalsContact C-N 3.3Å
177L94.4Very high95.5Very high2 Ų256.4 Ų56.41%0.0131%0.309CS..Hα-helixtrans-81.2-11.5-178.2-62.6-176.8000113.4V114 L116 F154 L173 V179 L181V114-L177 HydrophobicContact CB-CD2 4.16Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å; L116-L177 HydrophobicContact CD1-CD1 4.14Å; L116-L177 HydrophobicContact CD1-CD2 4.21Å; L116-L177 HydrophobicContact CD2-CD2 3.72Å; L116-L177 HydrophobicContact CG-CD2 3.83Å; F154-L177 HydrophobicContact CD1-CD1 3.98Å; F154-L177 HydrophobicContact CD2-CD1 4.02Å; F154-L177 HydrophobicContact CD2-CD2 4.48Å; F154-L177 HydrophobicContact CE1-CD1 4.06Å; F154-L177 HydrophobicContact CE1-CD2 4.29Å; F154-L177 HydrophobicContact CE2-CD1 4.1Å; F154-L177 HydrophobicContact CE2-CD2 3.79Å; F154-L177 HydrophobicContact CE2-CG 4.42Å; F154-L177 HydrophobicContact CG-CD1 3.95Å; F154-L177 HydrophobicContact CZ-CD1 4.13Å; F154-L177 HydrophobicContact CZ-CD2 3.68Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.34Å; L177-V179 HydrophobicContact CB-CG2 3.79Å; L177-V179 PolarHBondContact O-N 2.67Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å
178Q94.4Very high95.5Very high168 Ų16858.7 Ų58.779%0.78531%0.309SS*.THydrogen-bonded Turntrans57.526.8-175.1-54-173-30.500113.9S174 L176S174-Q178 WeakPolarHBondContact O-CA 3.41Å; S174-Q178 PolarHBondContact O-N 3.48Å; L176-Q178 VanDerWaalsContact C-N 3.3Å
179V96Very high95.5Very high9 Ų953.7 Ų53.76%0.05530%0.298CS..SBendtrans-135.9147.8178.6-60.30000110.4F154 N156 S174 L177 L181F154-V179 HydrophobicContact CD2-CG2 4.47Å; N156-V179 WeakPolarHBondContact O-CG1 3.48Å; S174-V179 WeakPolarHBondContact CA-O 3.41Å; S174-V179 WeakPolarHBondContact CB-O 3.41Å; S174-V179 PolarHBondContact O-N 3Å; S174-V179 PolarHBondContact OG-O 3.19Å; L177-V179 HydrophobicContact CB-CG2 3.79Å; L177-V179 PolarHBondContact O-N 2.67Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 3.42Å
180P95.9Very high95.6Very high61 Ų6151.9 Ų51.940%0.39629%0.29SS..  trans-64.1134.2176.227.1-34.8000110.7Q157 G158 G159Q157-P180 VanDerWaalsContact O-CD 3.32Å; Q157-P180 WeakPolarHBondContact O-CD 3.25Å; Q157-P180 WeakPolarHBondContact O-CG 3.49Å; G158-P180 CarbonylContact C-O 3.54Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.32Å; G159-P180 PolarHBondContact N-O 3.2Å
181L96.2Very high95.6Very high17 Ų1753.8 Ų53.89%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-115.6143.5176.2-63.9179.3000110.9G159 V161 L173 L177 V179G159-L181 WeakPolarHBondContact O-CA 3.28Å; V161-L181 HydrophobicContact CG1-CD1 4.13Å; V161-L181 HydrophobicContact CG1-CD2 4.3Å; L173-L181 HydrophobicContact CB-CD1 3.34Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 3.42Å
182V96Very high95.6Very high54 Ų5450.6 Ų50.633%0.32728%0.283SS..EExtended strand (participates in β ladder)trans-131.7136.7174175.40000109G159 L160 V161 V217 V221G159-V182 PolarHBondContact O-N 3.05Å; L160-V182 WeakPolarHBondContact CA-O 3.47Å; L160-V182 HydrophobicContact CD1-CB 4.5Å; L160-V182 WeakPolarHBondContact CD1-O 3.43Å; V161-V182 PolarHBondContact N-O 3.22Å; V182-V217 HydrophobicContact CG1-CG1 3.88Å; V182-V221 HydrophobicContact CB-CB 4.49Å; V182-V221 HydrophobicContact CB-CG2 4.09Å; V182-V221 HydrophobicContact CG2-CB 4.18Å; V182-V221 HydrophobicContact CG2-CG2 3.69Å
183A96.4Very high95.6Very high28 Ų2844.9 Ų44.923%0.23126%0.257CS..EExtended strand (participates in β ladder)trans-76.2130.3168.200000110.5V161V161-A183 HydrophobicContact CG2-CB 4.21Å; V161-A183 WeakPolarHBondContact O-CA 3.38Å
184G95.4Very high95.7Very high14 Ų1445.6 Ų45.614%0.14426%0.263CS..  trans-164.1-168.6179.800000113.6V161 P163 I193V161-G184 PolarHBondContact O-N 2.8Å; V161-G184 VanDerWaalsContact O-N 3.1Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.34Å; G184-I193 WeakPolarHBondContact O-CD1 3.25Å
185T97.1Very high95.7Very high38 Ų3844.2 Ų44.223%0.23325%0.253CS..  trans-137.2164.4-178.758.10000111P163 S190 E214P163-T185 HydrophobicContact CB-CG2 3.92Å; P163-T185 HydrophobicContact CG-CG2 3.82Å; T185-S190 WeakPolarHBondContact CA-O 3.2Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; T185-E214 WeakPolarHBondContact CB-OE1 3.48Å; T185-E214 VanDerWaalsContact O-CG 3.3Å; T185-E214 WeakPolarHBondContact O-CG 3.46Å; T185-E214 PolarHBondContact OG1-OE1 3.01Å
186V96.4Very high95.8Very high0 Ų039.7 Ų39.70%022%0.222CC..BIsolated β-bridgetrans-130.2166.8173.5-65.70000109.5L160 R188 G189 S190 I193 M197L160-V186 HydrophobicContact CD2-CG1 4.15Å; V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.23Å; V186-G189 PolarHBondContact O-N 3.18Å; V186-S190 PolarHBondContact N-O 3.04Å; V186-S190 VanDerWaalsContact N-O 3.08Å; V186-S190 WeakPolarHBondContact O-CA 3.49Å; V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 3.08Å; V186-I193 HydrophobicContact CG1-CD1 4.49Å; V186-I193 HydrophobicContact CG2-CD1 4.38Å; V186-M197 HydrophobicContact CG1-CB 4.41Å; V186-M197 HydrophobicContact CG1-CG 4.14Å; V186-M197 HydrophobicContact CG1-SD 3.88Å
187N96.4Very high95.9Very high19 Ų1937.2 Ų37.210%0.10221%0.209CC..THydrogen-bonded Turntrans52.742.5173.1-66.3-26.4000115.3C11 E12 G196 G207 D209 T210C11-N187 HydrophobicContact CB-CB 4.46Å; C11-N187 PolarHBondContact O-ND2 3.02Å; E12-N187 PolarHBondContact OE2-ND2 2.88Å; E12-N187 VanDerWaalsContact OE2-ND2 3.15Å; N187-G196 WeakPolarHBondContact ND2-CA 3.4Å; N187-G207 WeakPolarHBondContact OD1-CA 3.43Å; N187-G207 PolarHBondContact OD1-O 3.23Å; N187-D209 HydrophobicContact CB-CB 4.39Å; N187-T210 PolarHBondContact N-OG1 3Å; N187-T210 VanDerWaalsContact N-OG1 3.07Å; N187-T210 PolarHBondContact OD1-OG1 3.44Å
188R95.4Very high96Very high175 Ų17537.8 Ų37.866%0.6621%0.212SC*.THydrogen-bonded Turntrans65.251.4-177.8-48.9-177.8-173.1174.29.2113.7V186 D209 T211 E214V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.23Å; R188-D209 HydrophobicContact CG-CB 4.14Å; R188-D209 WeakPolarHBondContact CG-O 3.39Å; R188-D209 IonicContact CZ-OD1 2.89Å; R188-D209 VanDerWaalsContact CZ-OD1 3.22Å; R188-D209 IonicContact NE-OD1 3.82Å; R188-D209 PolarHBondContact NE-OD1 3.3Å; R188-D209 IonicContact NH2-OD1 3.23Å; R188-D209 PolarHBondContact NH2-OD1 2.91Å; R188-T211 HydrophobicContact CB-CG2 4.45Å; R188-T211 HydrophobicContact CG-CG2 3.89Å; R188-E214 PolarHBondContact N-OE1 3.1Å; R188-E214 PolarHBondContact N-OE2 2.94Å
189G95.4Very high96.1Very high45 Ų4530.4 Ų30.446%0.46418%0.178SC..THydrogen-bonded Turntrans94.212173.700000115V186 E191 E214V186-G189 PolarHBondContact O-N 3.18Å; G189-E191 PolarHBondContact O-N 3.03Å; G189-E214 PolarHBondContact N-OE1 2.99Å
190S96.4Very high96Very high27 Ų2730.1 Ų30.119%0.18918%0.177CC..BIsolated β-bridgetrans-65127.6168.9-173.10000109.9T185 V186 V192T185-S190 WeakPolarHBondContact CA-O 3.2Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; V186-S190 PolarHBondContact N-O 3.04Å; V186-S190 VanDerWaalsContact N-O 3.08Å; V186-S190 WeakPolarHBondContact O-CA 3.49Å; V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 3.08Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact OG-N 3.22Å
191E95Very high95.9Very high71 Ų7129.1 Ų29.133%0.33217%0.168SC..SBendtrans-84.7-9.617766-172-167.300112.5Y151 H162 P163 K164 G189 I193Y151-E191 HydrophobicContact CE1-CG 4.49Å; H162-E191 IonicContact CE1-OE2 3.94Å; H162-E191 WeakPolarHBondContact NE2-CB 2.87Å; H162-E191 VanDerWaalsContact NE2-CD 3.32Å; H162-E191 IonicContact NE2-OE1 3.22Å; H162-E191 IonicContact NE2-OE2 3.79Å; H162-E191 PolarHBondContact NE2-OE2 3.13Å; P163-E191 HydrophobicContact CG-CB 3.94Å; K164-E191 IonicContact NZ-OE2 3.27Å; G189-E191 PolarHBondContact O-N 3.03Å; E191-I193 PolarHBondContact O-N 3.23Å; E191-I193 VanDerWaalsContact O-N 3.1Å
192V95.9Very high95.7Very high35 Ų3531.9 Ų31.921%0.21218%0.177CC..  trans-88.274.9-179.9-161.80000110S150 Y151 S190 A194 A195 G196S150-V192 CarbonylContact O-C 3.48Å; Y151-V192 HydrophobicContact CE1-CG2 4.28Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact OG-N 3.22Å; V192-A194 PolarHBondContact O-N 3.29Å; V192-A195 HydrophobicContact CB-CB 3.95Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.12Å; V192-A195 PolarHBondContact O-N 2.9Å; V192-G196 PolarHBondContact O-N 3.49Å
193I96.4Very high95.6Very high0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-53.6-48.8-170.8-53-51.8000112.9S150 V153 L160 G184 V186 E191 A195 G196 M197S150-I193 PolarHBondContact O-N 3.3Å; V153-I193 HydrophobicContact CB-CG2 4.05Å; V153-I193 HydrophobicContact CG2-CB 4.37Å; V153-I193 HydrophobicContact CG2-CG2 3.84Å; L160-I193 HydrophobicContact CB-CG2 4.08Å; L160-I193 HydrophobicContact CD2-CD1 4.05Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.16Å; G184-I193 WeakPolarHBondContact O-CD1 3.25Å; V186-I193 HydrophobicContact CG1-CD1 4.49Å; V186-I193 HydrophobicContact CG2-CD1 4.38Å; E191-I193 PolarHBondContact O-N 3.23Å; E191-I193 VanDerWaalsContact O-N 3.1Å; I193-A195 PolarHBondContact O-N 3.27Å; I193-G196 PolarHBondContact O-N 3.3Å; I193-M197 HydrophobicContact CG2-CG 3.93Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CG 3.36Å; I193-M197 PolarHBondContact O-N 2.91Å
194A96.4Very high95.5Very high18 Ų1828.2 Ų28.215%0.14915%0.152CC..Hα-helixtrans-70.1-17.2-177.300000114G14 G149 S150 V153 V192G14-A194 CarbonylContact C-O 3.55Å; G14-A194 WeakPolarHBondContact CA-O 3.39Å; G149-A194 WeakPolarHBondContact O-CB 3.32Å; S150-A194 PolarHBondContact O-N 3.1Å; S150-A194 VanDerWaalsContact O-N 3.13Å; V153-A194 HydrophobicContact CG2-CB 3.5Å; V153-A194 VanDerWaalsContact CG2-CB 3.5Å; V192-A194 PolarHBondContact O-N 3.29Å
195A95.9Very high95.6Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-71-45.5170.200000110.4E12 I13 G14 V192 I193E12-A195 CarbonylContact C-O 3.53Å; E12-A195 WeakPolarHBondContact CA-O 3.33Å; E12-A195 HydrophobicContact CB-CB 4.11Å; E12-A195 HydrophobicContact CG-CB 4.2Å; E12-A195 WeakPolarHBondContact OE2-CB 3.39Å; I13-A195 PolarHBondContact N-O 2.9Å; G14-A195 WeakPolarHBondContact CA-O 3.33Å; G14-A195 PolarHBondContact N-O 3.41Å; V192-A195 HydrophobicContact CB-CB 3.95Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.12Å; V192-A195 PolarHBondContact O-N 2.9Å; I193-A195 PolarHBondContact O-N 3.27Å
196G96.2Very high95.5Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-90.1-11.3-168.900000114.9E12 N187 V192 I193 C206 G207E12-G196 VanDerWaalsContact OE2-CA 3.26Å; E12-G196 WeakPolarHBondContact OE2-CA 3.36Å; E12-G196 PolarHBondContact OE2-N 3.23Å; E12-G196 VanDerWaalsContact OE2-N 3.1Å; N187-G196 WeakPolarHBondContact ND2-CA 3.4Å; V192-G196 PolarHBondContact O-N 3.49Å; I193-G196 PolarHBondContact O-N 3.3Å; G196-C206 CarbonylContact O-C 3.25Å; G196-C206 WeakPolarHBondContact O-CA 3.4Å; G196-G207 PolarHBondContact O-N 3.34Å
197M96.4Very high95.5Very high1 Ų125.8 Ų25.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-148.7157178.268.4176.5-63.100114.5L160 V186 I193 V199 A204 F205 C206 V218 F222L160-M197 HydrophobicContact CD2-SD 3.87Å; V186-M197 HydrophobicContact CG1-CB 4.41Å; V186-M197 HydrophobicContact CG1-CG 4.14Å; V186-M197 HydrophobicContact CG1-SD 3.88Å; I193-M197 HydrophobicContact CG2-CG 3.93Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CG 3.36Å; I193-M197 PolarHBondContact O-N 2.91Å; M197-V199 HydrophobicContact CE-CB 4.13Å; M197-V199 HydrophobicContact CE-CG1 4.43Å; M197-A204 HydrophobicContact CE-CB 4.34Å; M197-F205 CarbonylContact C-O 3.54Å; M197-F205 WeakPolarHBondContact CA-O 3.41Å; M197-F205 VanDerWaalsContact CB-O 3.26Å; M197-F205 WeakPolarHBondContact CB-O 3.46Å; M197-C206 HydrophobicContact CB-CB 4.46Å; M197-V218 HydrophobicContact CE-CG1 3.67Å; M197-V218 HydrophobicContact CE-CG2 4.07Å; M197-V218 HydrophobicContact SD-CG2 4.05Å; M197-F222 HydrophobicContact CE-CD2 4.33Å; M197-F222 HydrophobicContact CE-CE2 3.7Å; M197-F222 HydrophobicContact CE-CZ 4.19Å
198V96.5Very high95.5Very high13 Ų1329.5 Ų29.58%0.07915%0.154CC..EExtended strand (participates in β ladder)trans-133.2146.3167.3-66.60000108.9A17 L19 F38 A204 F205A17-V198 HydrophobicContact CB-CG2 4.46Å; L19-V198 HydrophobicContact CB-CB 3.93Å; L19-V198 HydrophobicContact CB-CG2 4.07Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; F38-V198 HydrophobicContact CE1-CG2 3.84Å; F38-V198 HydrophobicContact CZ-CG2 3.94Å; V198-A204 CarbonylContact O-C 3.56Å; V198-A204 WeakPolarHBondContact O-CA 3.46Å; V198-F205 HydrophobicContact CG2-CB 3.88Å; V198-F205 HydrophobicContact CG2-CD2 4.12Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 2.66Å; V198-F205 PolarHBondContact O-N 3.04Å
199V96.5Very high95.5Very high13 Ų1323.9 Ų23.98%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-148.7147-171.364.60000110.8V153 M197 A204 F222V153-V199 HydrophobicContact CG1-CG1 3.38Å; M197-V199 HydrophobicContact CE-CB 4.13Å; M197-V199 HydrophobicContact CE-CG1 4.43Å; V199-A204 HydrophobicContact CB-CB 4.08Å; V199-A204 HydrophobicContact CG2-CB 3.8Å; V199-F222 HydrophobicContact CB-CD1 4.35Å; V199-F222 HydrophobicContact CB-CE1 4.15Å; V199-F222 HydrophobicContact CB-CZ 4.41Å; V199-F222 HydrophobicContact CG1-CD1 4.05Å; V199-F222 HydrophobicContact CG1-CE1 3.42Å; V199-F222 VanDerWaalsContact CG1-CE1 3.42Å; V199-F222 HydrophobicContact CG1-CZ 3.72Å; V199-F222 HydrophobicContact CG2-CB 4.25Å; V199-F222 HydrophobicContact CG2-CD1 3.44Å; V199-F222 VanDerWaalsContact CG2-CD1 3.44Å; V199-F222 HydrophobicContact CG2-CD2 4.23Å; V199-F222 HydrophobicContact CG2-CE1 3.73Å; V199-F222 HydrophobicContact CG2-CE2 4.49Å; V199-F222 HydrophobicContact CG2-CG 3.73Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å
200N94.5Very high95.6Very high3 Ų321.9 Ų21.92%0.01612%0.116CC..  trans-127.7-168164.471.69.5000109.1L19 N21 W202 C203L19-N200 HydrophobicContact CD2-CB 4.01Å; L19-N200 HydrophobicContact CG-CB 3.94Å; N21-N200 WeakPolarHBondContact OD1-CB 3.36Å; N200-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.24Å; N200-W202 PolarHBondContact O-N 3.44Å; N200-W202 PolarHBondContact OD1-N 3.32Å; N200-C203 VanDerWaalsContact CG-SG 3.56Å; N200-C203 PolarHBondContact N-O 2.75Å; N200-C203 PolarHBondContact ND2-SG 3.25Å; N200-C203 PolarHBondContact OD1-N 3.44Å; N200-C203 PolarHBondContact OD1-O 3.31Å; N200-C203 VanDerWaalsContact OD1-O 3.08Å; N200-C203 PolarHBondContact OD1-SG 2.79Å
201D92.8Very high95.6Very high40 Ų4023 Ų2321%0.21412%0.121CC..SBendtrans-71.3-11.3-173-67.6-13.1000114.7N21 S155 N156 Q157N21-D201 VanDerWaalsContact ND2-CG 3.26Å; N21-D201 PolarHBondContact ND2-OD2 3.41Å; N21-D201 PolarHBondContact OD1-N 3.21Å; N21-D201 VanDerWaalsContact OD1-N 3.11Å; S155-D201 WeakPolarHBondContact CB-OD1 3.38Å; N156-D201 WeakPolarHBondContact CB-OD1 3.35Å; N156-D201 PolarHBondContact N-OD1 3.17Å; N156-D201 PolarHBondContact ND2-OD1 3Å; N156-D201 PolarHBondContact ND2-OD2 2.86Å; Q157-D201 HydrophobicContact CG-CB 4.33Å
202W92.4Very high95.6Very high75 Ų7523.8 Ų23.828%0.28414%0.135SC..SBendtrans-131.4-17.2-175.465.488.3000115.3M1 N21 T45 I46 N200M1-W202 PolarHBondContact N-O 3.21Å; N21-W202 HydrophobicContact CB-CH2 4.38Å; N21-W202 HydrophobicContact CB-CZ3 3.99Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.37Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.3Å; T45-W202 HydrophobicContact CG2-CH2 4.28Å; T45-W202 HydrophobicContact CG2-CZ2 3.82Å; I46-W202 HydrophobicContact CD1-CZ2 4.14Å; I46-W202 HydrophobicContact CG1-CZ2 4.44Å; I46-W202 HydrophobicContact CG2-CH2 3.91Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å; N200-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.24Å; N200-W202 PolarHBondContact O-N 3.44Å; N200-W202 PolarHBondContact OD1-N 3.32Å
203C93.4Very high95.5Very high6 Ų627.1 Ų27.14%0.04116%0.155CC..  trans-141.4150.8178.169.80000111.9M1 L42 N200M1-C203 WeakPolarHBondContact O-CA 3.48Å; L42-C203 WeakPolarHBondContact CD2-SG 3.29Å; N200-C203 VanDerWaalsContact CG-SG 3.56Å; N200-C203 PolarHBondContact N-O 2.75Å; N200-C203 PolarHBondContact ND2-SG 3.25Å; N200-C203 PolarHBondContact OD1-N 3.44Å; N200-C203 PolarHBondContact OD1-O 3.31Å; N200-C203 VanDerWaalsContact OD1-O 3.08Å; N200-C203 PolarHBondContact OD1-SG 2.79Å
204A95.6Very high95.5Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-128.4146.7168.800000109.5M1 A2 V3 M197 V198 V199 V218 L224M1-A204 PolarHBondContact O-N 3.28Å; M1-A204 VanDerWaalsContact O-N 3.1Å; A2-A204 CarbonylContact C-O 3.59Å; A2-A204 WeakPolarHBondContact CA-O 3.44Å; A2-A204 HydrophobicContact CB-CB 4.25Å; V3-A204 PolarHBondContact N-O 3.43Å; M197-A204 HydrophobicContact CE-CB 4.34Å; V198-A204 CarbonylContact O-C 3.56Å; V198-A204 WeakPolarHBondContact O-CA 3.46Å; V199-A204 HydrophobicContact CB-CB 4.08Å; V199-A204 HydrophobicContact CG2-CB 3.8Å; A204-V218 HydrophobicContact CB-CG1 3.95Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å
205F96.2Very high95.4Very high1 Ų127.6 Ų27.60%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-115.3131.1167.2-58.2-94.5000107.4V3 I13 L19 V37 F38 E41 L42 M197 V198V3-F205 HydrophobicContact CB-CD1 4.02Å; V3-F205 HydrophobicContact CB-CE1 4.24Å; V3-F205 HydrophobicContact CG1-CD1 4.43Å; V3-F205 CarbonylContact O-C 3.53Å; V3-F205 VanDerWaalsContact O-CA 3.3Å; V3-F205 WeakPolarHBondContact O-CA 3.36Å; I13-F205 VanDerWaalsContact CD1-C 3.45Å; I13-F205 HydrophobicContact CD1-CB 3.62Å; I13-F205 WeakPolarHBondContact CD1-O 3.49Å; L19-F205 HydrophobicContact CD2-CD2 3.88Å; L19-F205 HydrophobicContact CD2-CE2 3.91Å; V37-F205 HydrophobicContact CG1-CD1 3.97Å; V37-F205 HydrophobicContact CG1-CE1 3.91Å; F38-F205 HydrophobicContact CD1-CD1 4.38Å; F38-F205 AromaticContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CE1 4.22Å; F38-F205 AromaticContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CG 4.26Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD2-CD1 4.46Å; F38-F205 HydrophobicContact CE1-CB 4.21Å; F38-F205 HydrophobicContact CE1-CD1 4.16Å; F38-F205 AromaticContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CE1 4.44Å; F38-F205 AromaticContact CE1-CE2 3.85Å; F38-F205 HydrophobicContact CE1-CE2 3.85Å; F38-F205 AromaticContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CZ 4.29Å; F38-F205 HydrophobicContact CE2-CD1 4.23Å; F38-F205 HydrophobicContact CE2-CG 4.31Å; F38-F205 HydrophobicContact CG-CE1 4.29Å; F38-F205 HydrophobicContact CG-CZ 4.33Å; F38-F205 HydrophobicContact CZ-CB 3.85Å; F38-F205 HydrophobicContact CZ-CD1 4.09Å; F38-F205 HydrophobicContact CZ-CD2 4.04Å; F38-F205 AromaticContact CZ-CG 3.71Å; F38-F205 HydrophobicContact CZ-CG 3.71Å; E41-F205 HydrophobicContact CB-CE1 4.27Å; E41-F205 HydrophobicContact CB-CZ 3.87Å; E41-F205 HydrophobicContact CG-CE1 4.16Å; E41-F205 HydrophobicContact CG-CZ 4.26Å; L42-F205 HydrophobicContact CD1-CE2 3.95Å; L42-F205 HydrophobicContact CD1-CZ 4.08Å; L42-F205 HydrophobicContact CD2-CE2 4.33Å; L42-F205 HydrophobicContact CD2-CZ 4.47Å; L42-F205 HydrophobicContact CG-CE2 4.2Å; L42-F205 HydrophobicContact CG-CZ 4.04Å; M197-F205 CarbonylContact C-O 3.54Å; M197-F205 WeakPolarHBondContact CA-O 3.41Å; M197-F205 VanDerWaalsContact CB-O 3.26Å; M197-F205 WeakPolarHBondContact CB-O 3.46Å; V198-F205 HydrophobicContact CG2-CB 3.88Å; V198-F205 HydrophobicContact CG2-CD2 4.12Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 2.66Å; V198-F205 PolarHBondContact O-N 3.04Å
206C96.4Very high95.4Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-121.6155.1175.7-620000109.8V3 R4 A5 I13 G196 M197 T210 L215V3-C206 PolarHBondContact O-N 3.21Å; R4-C206 CarbonylContact C-O 3.5Å; R4-C206 VanDerWaalsContact CA-O 3.29Å; R4-C206 WeakPolarHBondContact CA-O 3.23Å; A5-C206 PolarHBondContact N-O 3.46Å; I13-C206 WeakPolarHBondContact CD1-O 3.39Å; G196-C206 CarbonylContact O-C 3.25Å; G196-C206 WeakPolarHBondContact O-CA 3.4Å; M197-C206 HydrophobicContact CB-CB 4.46Å; C206-T210 HydrophobicContact CB-CG2 4.02Å; C206-L215 HydrophobicContact CB-CD2 3.71Å
207G96.2Very high95.3Very high0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-61.9152.8175.600000112.4A5 C11 N187 G196 D209 T210A5-G207 CarbonylContact O-C 3.52Å; A5-G207 WeakPolarHBondContact O-CA 3.49Å; C11-G207 WeakPolarHBondContact O-CA 3.36Å; N187-G207 WeakPolarHBondContact OD1-CA 3.43Å; N187-G207 PolarHBondContact OD1-O 3.23Å; G196-G207 PolarHBondContact O-N 3.34Å; G207-D209 PolarHBondContact O-N 2.8Å; G207-D209 VanDerWaalsContact O-N 3.1Å; G207-T210 WeakPolarHBondContact O-CB 3.27Å; G207-T210 PolarHBondContact O-N 2.94Å; G207-T210 PolarHBondContact O-OG1 3.06Å
208L94.8Very high95.2Very high96 Ų9633 Ų3350%0.50319%0.19SC..THydrogen-bonded Turntrans-55.6-32.4-173.5-17665.2000113.4R4 A5 T210R4-L208 HydrophobicContact CB-CD1 4.41Å; A5-L208 PolarHBondContact O-N 2.9Å; L208-T210 VanDerWaalsContact C-N 3.29Å; L208-T210 PolarHBondContact O-N 2.84Å
209D96.6Very high95.1Very high58 Ų5834.2 Ų34.231%0.3120%0.195SC..THydrogen-bonded Turntrans-78.2-9.6179.3-82.6-37.1000114.3C11 N187 R188 G207 T211C11-D209 HydrophobicContact CB-CB 4.37Å; C11-D209 PolarHBondContact SG-OD2 2.87Å; N187-D209 HydrophobicContact CB-CB 4.39Å; R188-D209 HydrophobicContact CG-CB 4.14Å; R188-D209 WeakPolarHBondContact CG-O 3.39Å; R188-D209 IonicContact CZ-OD1 2.89Å; R188-D209 VanDerWaalsContact CZ-OD1 3.22Å; R188-D209 IonicContact NE-OD1 3.82Å; R188-D209 PolarHBondContact NE-OD1 3.3Å; R188-D209 IonicContact NH2-OD1 3.23Å; R188-D209 PolarHBondContact NH2-OD1 2.91Å; G207-D209 PolarHBondContact O-N 2.8Å; G207-D209 VanDerWaalsContact O-N 3.1Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å
210T96.8Very high95Very high2 Ų238 Ų381%0.01222%0.222CC..  trans-59.5120.5179.7-58.60000110.7R4 N187 C206 G207 L208 E214 L215R4-T210 PolarHBondContact NE-O 2.97Å; R4-T210 PolarHBondContact NH2-O 3.33Å; N187-T210 PolarHBondContact N-OG1 3Å; N187-T210 VanDerWaalsContact N-OG1 3.07Å; N187-T210 PolarHBondContact OD1-OG1 3.44Å; C206-T210 HydrophobicContact CB-CG2 4.02Å; G207-T210 WeakPolarHBondContact O-CB 3.27Å; G207-T210 PolarHBondContact O-N 2.94Å; G207-T210 PolarHBondContact O-OG1 3.06Å; L208-T210 VanDerWaalsContact C-N 3.29Å; L208-T210 PolarHBondContact O-N 2.84Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T210-L215 HydrophobicContact CG2-CD2 3.68Å; T210-L215 HydrophobicContact CG2-CG 4.01Å
211T96.2Very high95Very high50 Ų5038.3 Ų38.331%0.30722%0.224SC..  trans-69.6159.3-175.1650000111.4R188 D209 T213 E214 L215R188-T211 HydrophobicContact CB-CG2 4.45Å; R188-T211 HydrophobicContact CG-CG2 3.89Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å; T211-T213 PolarHBondContact O-N 2.94Å; T211-E214 WeakPolarHBondContact CB-OE2 3.39Å; T211-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 2.89Å; T211-E214 WeakPolarHBondContact OG1-CB 3.27Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.7Å; T211-E214 PolarHBondContact OG1-OE2 2.72Å; T211-L215 PolarHBondContact O-N 3.3Å
212S94.7Very high95.1Very high89 Ų8936.4 Ų36.462%0.62221%0.214SC*.Hα-helixtrans-63.8-29.1178.1-58.50000112.7R4 S216R4-S212 PolarHBondContact NH2-OG 3.31Å; S212-S216 WeakPolarHBondContact O-CB 3.28Å; S212-S216 PolarHBondContact O-N 3.14Å
213T94.6Very high95.1Very high104 Ų10436.9 Ų36.964%0.63822%0.218SC*.Hα-helixtrans-66.7-48.3173-49.40000110.8T211 L215 S216 V217T211-T213 PolarHBondContact O-N 2.94Å; T213-L215 VanDerWaalsContact C-N 3.34Å; T213-L215 PolarHBondContact O-N 3.33Å; T213-S216 PolarHBondContact O-N 2.98Å; T213-S216 PolarHBondContact O-OG 2.91Å; T213-V217 PolarHBondContact O-N 3.42Å
214E96.7Very high94.8Very high17 Ų1736.8 Ų36.88%0.07922%0.217CC..Hα-helixtrans-59.7-43.6175.6-70.3166.5144.400111.3T185 R188 G189 T210 T211 S216 V217 V218T185-E214 WeakPolarHBondContact CB-OE1 3.48Å; T185-E214 VanDerWaalsContact O-CG 3.3Å; T185-E214 WeakPolarHBondContact O-CG 3.46Å; T185-E214 PolarHBondContact OG1-OE1 3.01Å; R188-E214 PolarHBondContact N-OE1 3.1Å; R188-E214 PolarHBondContact N-OE2 2.94Å; G189-E214 PolarHBondContact N-OE1 2.99Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T211-E214 WeakPolarHBondContact CB-OE2 3.39Å; T211-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 2.89Å; T211-E214 WeakPolarHBondContact OG1-CB 3.27Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.7Å; T211-E214 PolarHBondContact OG1-OE2 2.72Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.04Å; E214-V217 PolarHBondContact O-N 3.3Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 2.97Å
215L94.9Very high93.8Very high12 Ų1241.1 Ų41.16%0.06324%0.24CC..Hα-helixtrans-60.4-41.7174.8-74.5-166.5000112.8A2 R4 C206 T210 T211 T213 V217 V218 E219A2-L215 HydrophobicContact CB-CD2 4Å; R4-L215 HydrophobicContact CG-CD1 4.07Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å; C206-L215 HydrophobicContact CB-CD2 3.71Å; T210-L215 HydrophobicContact CG2-CD2 3.68Å; T210-L215 HydrophobicContact CG2-CG 4.01Å; T211-L215 PolarHBondContact O-N 3.3Å; T213-L215 VanDerWaalsContact C-N 3.34Å; T213-L215 PolarHBondContact O-N 3.33Å; L215-V217 PolarHBondContact O-N 3.15Å; L215-V218 WeakPolarHBondContact O-CB 3.41Å; L215-V218 PolarHBondContact O-N 3.01Å; L215-V218 VanDerWaalsContact O-N 3.15Å; L215-E219 WeakPolarHBondContact O-CG 3.11Å; L215-E219 PolarHBondContact O-N 2.87Å
216S94.2Very high92.1Very high62 Ų6248 Ų4843%0.43427%0.272SS..Hα-helixtrans-62.4-33.8179.370.10000112.4S212 T213 E214 S220S212-S216 WeakPolarHBondContact O-CB 3.28Å; S212-S216 PolarHBondContact O-N 3.14Å; T213-S216 PolarHBondContact O-N 2.98Å; T213-S216 PolarHBondContact O-OG 2.91Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.04Å; S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 VanDerWaalsContact O-N 3.09Å
217V94.7Very high89.9Confident51 Ų5151 Ų5131%0.30930%0.297SS..Hα-helixtrans-68.3-46.4174176.60000110.3L160 V182 T213 E214 L215 S220 V221L160-V217 HydrophobicContact CD1-CG1 4.18Å; V182-V217 HydrophobicContact CG1-CG1 3.88Å; T213-V217 PolarHBondContact O-N 3.42Å; E214-V217 PolarHBondContact O-N 3.3Å; L215-V217 PolarHBondContact O-N 3.15Å; V217-S220 PolarHBondContact O-N 2.98Å; V217-V221 WeakPolarHBondContact O-CG1 3.2Å; V217-V221 PolarHBondContact O-N 2.8Å
218V95.1Very high87.5Confident0 Ų056.1 Ų56.10%032%0.321CS..Hα-helixtrans-57.5-51.6176169.20000110.7A2 L160 M197 A204 E214 L215 S220 V221 F222 L224A2-V218 HydrophobicContact CB-CG1 4.34Å; L160-V218 HydrophobicContact CD2-CG2 4.19Å; M197-V218 HydrophobicContact CE-CG1 3.67Å; M197-V218 HydrophobicContact CE-CG2 4.07Å; M197-V218 HydrophobicContact SD-CG2 4.05Å; A204-V218 HydrophobicContact CB-CG1 3.95Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 2.97Å; L215-V218 WeakPolarHBondContact O-CB 3.41Å; L215-V218 PolarHBondContact O-N 3.01Å; L215-V218 VanDerWaalsContact O-N 3.15Å; V218-S220 VanDerWaalsContact C-N 3.27Å; V218-S220 PolarHBondContact O-N 3.29Å; V218-V221 PolarHBondContact O-N 3.45Å; V218-F222 HydrophobicContact CB-CD2 4.49Å; V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 4.31Å; V218-F222 WeakPolarHBondContact O-CB 3.45Å; V218-F222 VanDerWaalsContact O-CD2 3.26Å; V218-F222 WeakPolarHBondContact O-CD2 3.44Å; V218-F222 PolarHBondContact O-N 3.49Å; V218-L224 HydrophobicContact CG1-CD1 4.23Å
219E94.4Very high85.1Confident40 Ų4055.4 Ų55.419%0.18732%0.322CS..Hα-helixtrans-61.5-36.3-179.4-70.9-178.4164.400113A2 L215 K223 L224 N225A2-E219 HydrophobicContact CB-CG 3.66Å; A2-E219 PolarHBondContact N-OE1 3Å; L215-E219 WeakPolarHBondContact O-CG 3.11Å; L215-E219 PolarHBondContact O-N 2.87Å; E219-K223 WeakPolarHBondContact O-CA 3.2Å; E219-K223 PolarHBondContact O-N 2.89Å; E219-L224 HydrophobicContact CB-CB 4.49Å; E219-L224 HydrophobicContact CG-CB 4.48Å; E219-L224 HydrophobicContact CG-CD1 4.49Å; E219-L224 PolarHBondContact O-N 2.69Å; E219-N225 PolarHBondContact OE2-ND2 3.13Å
220S94Very high82.8Confident92 Ų9256.3 Ų56.364%0.64333%0.333SS*.Hα-helixtrans-70.7-48.5177.9-172.90000112.4S216 V217 V218 K223S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 VanDerWaalsContact O-N 3.09Å; V217-S220 PolarHBondContact O-N 2.98Å; V218-S220 VanDerWaalsContact C-N 3.27Å; V218-S220 PolarHBondContact O-N 3.29Å; S220-K223 PolarHBondContact O-N 2.8Å
221V94.1Very high80.3Confident9 Ų960.3 Ų60.36%0.05536%0.358CS..Hα-helixtrans-71.6-36.9-174.572.50000111.8G159 V182 V217 V218 K223G159-V221 WeakPolarHBondContact O-CG2 3.48Å; V182-V221 HydrophobicContact CB-CB 4.49Å; V182-V221 HydrophobicContact CB-CG2 4.09Å; V182-V221 HydrophobicContact CG2-CB 4.18Å; V182-V221 HydrophobicContact CG2-CG2 3.69Å; V217-V221 WeakPolarHBondContact O-CG1 3.2Å; V217-V221 PolarHBondContact O-N 2.8Å; V218-V221 PolarHBondContact O-N 3.45Å; V221-K223 VanDerWaalsContact C-N 3.31Å
222F95Very high78.2Confident0 Ų062 Ų620%036%0.364CS..THydrogen-bonded Turntrans-87.32.5178-69-79.6000113.3S155 G158 L160 M197 V199 V218 L224S155-F222 VanDerWaalsContact OG-CD1 3.29Å; S155-F222 WeakPolarHBondContact OG-CD1 2.99Å; G158-F222 WeakPolarHBondContact O-CD1 3.46Å; G158-F222 WeakPolarHBondContact O-CE1 3.46Å; L160-F222 HydrophobicContact CB-CE2 4.1Å; L160-F222 HydrophobicContact CB-CZ 4.32Å; M197-F222 HydrophobicContact CE-CD2 4.33Å; M197-F222 HydrophobicContact CE-CE2 3.7Å; M197-F222 HydrophobicContact CE-CZ 4.19Å; V199-F222 HydrophobicContact CB-CD1 4.35Å; V199-F222 HydrophobicContact CB-CE1 4.15Å; V199-F222 HydrophobicContact CB-CZ 4.41Å; V199-F222 HydrophobicContact CG1-CD1 4.05Å; V199-F222 HydrophobicContact CG1-CE1 3.42Å; V199-F222 VanDerWaalsContact CG1-CE1 3.42Å; V199-F222 HydrophobicContact CG1-CZ 3.72Å; V199-F222 HydrophobicContact CG2-CB 4.25Å; V199-F222 HydrophobicContact CG2-CD1 3.44Å; V199-F222 VanDerWaalsContact CG2-CD1 3.44Å; V199-F222 HydrophobicContact CG2-CD2 4.23Å; V199-F222 HydrophobicContact CG2-CE1 3.73Å; V199-F222 HydrophobicContact CG2-CE2 4.49Å; V199-F222 HydrophobicContact CG2-CG 3.73Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å; V218-F222 HydrophobicContact CB-CD2 4.49Å; V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 4.31Å; V218-F222 WeakPolarHBondContact O-CB 3.45Å; V218-F222 VanDerWaalsContact O-CD2 3.26Å; V218-F222 WeakPolarHBondContact O-CD2 3.44Å; V218-F222 PolarHBondContact O-N 3.49Å; F222-L224 HydrophobicContact CB-CD1 4.02Å; F222-L224 HydrophobicContact CB-CD2 3.9Å; F222-L224 HydrophobicContact CB-CG 3.63Å; F222-L224 PolarHBondContact O-N 3.05Å
223K92.3Very high76.2Confident85 Ų8559.7 Ų59.737%0.3735%0.351SS..THydrogen-bonded Turntrans53.933.3179.9-55.2-179.3-173168.70114.3E219 S220 V221 N225 E226E219-K223 WeakPolarHBondContact O-CA 3.2Å; E219-K223 PolarHBondContact O-N 2.89Å; S220-K223 PolarHBondContact O-N 2.8Å; V221-K223 VanDerWaalsContact C-N 3.31Å; K223-N225 PolarHBondContact O-N 3Å; K223-N225 VanDerWaalsContact O-N 3.16Å; K223-E226 PolarHBondContact O-N 2.85Å
224L88Confident74.4Confident5 Ų557.9 Ų57.93%0.02634%0.339CS..THydrogen-bonded Turntrans-71.3-13.7-172.5-59.9178.9000113.9M1 A2 A204 V218 E219 F222M1-L224 PolarHBondContact N-O 3.16Å; A2-L224 HydrophobicContact CB-CD1 4.24Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å; V218-L224 HydrophobicContact CG1-CD1 4.23Å; E219-L224 HydrophobicContact CB-CB 4.49Å; E219-L224 HydrophobicContact CG-CB 4.48Å; E219-L224 HydrophobicContact CG-CD1 4.49Å; E219-L224 PolarHBondContact O-N 2.69Å; F222-L224 HydrophobicContact CB-CD1 4.02Å; F222-L224 HydrophobicContact CB-CD2 3.9Å; F222-L224 HydrophobicContact CB-CG 3.63Å; F222-L224 PolarHBondContact O-N 3.05Å
225N74.9Confident72.3Confident91 Ų9160.1 Ų60.149%0.48736%0.357SS..THydrogen-bonded Turntrans-90.4-16.4179.3-69.7-18.8000112.8E219 K223 A227E219-N225 PolarHBondContact OE2-ND2 3.13Å; K223-N225 PolarHBondContact O-N 3Å; K223-N225 VanDerWaalsContact O-N 3.16Å; N225-A227 PolarHBondContact O-N 3.23Å
226E59.9Low70.8Confident144 Ų14464.9 Ų64.967%0.67338%0.38SS*.THydrogen-bonded Turntrans-76.1-11.8178.7-65.7-173.7176.200113.1K223 Q228 P229K223-E226 PolarHBondContact O-N 2.85Å; E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å; E226-P229 VanDerWaalsContact C-CD 3.4Å; E226-P229 WeakPolarHBondContact O-CD 3.26Å
227A50.9Low69.2Low63 Ų6370 Ų7052%0.52139%0.39SS..THydrogen-bonded Turntrans-77.8-8.3177.800000114.4N225N225-A227 PolarHBondContact O-N 3.23Å
228Q45.7Very low68Low109 Ų10971.9 Ų71.951%0.50940%0.398SS..SBendtrans-13224.5179.6-79.9-164-7.600118.7E226 S230E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å; Q228-S230 VanDerWaalsContact C-N 3.27Å; Q228-S230 PolarHBondContact O-N 3.07Å
229P43.4Very low67Low80 Ų8075.3 Ų75.352%0.51942%0.422SS..Hα-helixtrans-67.6-28.7165.8-7.919.6000112.4E226 A233E226-P229 VanDerWaalsContact C-CD 3.4Å; E226-P229 WeakPolarHBondContact O-CD 3.26Å; P229-A233 WeakPolarHBondContact O-CB 3.49Å; P229-A233 PolarHBondContact O-N 3.25Å
230S47.7Very low65.9Low77 Ų7778.2 Ų78.254%0.53844%0.438SS..Hα-helixtrans-77.3-41.2-171.757.80000113.2Q228 T234Q228-S230 VanDerWaalsContact C-N 3.27Å; Q228-S230 PolarHBondContact O-N 3.07Å; S230-T234 WeakPolarHBondContact O-CB 3.31Å; S230-T234 PolarHBondContact O-N 2.89Å; S230-T234 PolarHBondContact O-OG1 2.86Å
231T46.1Very low65.1Low86 Ų8678.3 Ų78.353%0.52843%0.431SS..Hα-helixtrans-72.6-38.8-175.5-6.40000112.6S235T231-S235 VanDerWaalsContact O-CB 3.26Å; T231-S235 WeakPolarHBondContact O-CB 3.36Å; T231-S235 PolarHBondContact O-N 2.98Å; T231-S235 PolarHBondContact O-OG 2.95Å
232I51.2Low64.2Low85 Ų8583.9 Ų83.944%0.43646%0.461SS..Hα-helixtrans-75.8-40.6179.1-63.4171.2000111T234 S235 M236I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.07Å; I232-S235 PolarHBondContact O-OG 3.04Å; I232-M236 HydrophobicContact CG2-CE 3.38Å; I232-M236 HydrophobicContact CG2-CG 4.39Å; I232-M236 VanDerWaalsContact O-CB 3.28Å; I232-M236 WeakPolarHBondContact O-CB 3.07Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.41Å
233A53.1Low63.2Low42 Ų4288 Ų8835%0.34749%0.489SS..Hα-helixtrans-68.1-33176.300000112.1P229 R237P229-A233 WeakPolarHBondContact O-CB 3.49Å; P229-A233 PolarHBondContact O-N 3.25Å; A233-R237 VanDerWaalsContact O-CB 3.3Å; A233-R237 WeakPolarHBondContact O-CB 3.48Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.43Å; A233-R237 PolarHBondContact O-N 3.47Å
234T55.8Low61.9Low66 Ų6690.9 Ų90.941%0.40551%0.508SS..Hα-helixtrans-74.8-44.9175.7-480000110.7S230 I232 M236 R237 D238S230-T234 WeakPolarHBondContact O-CB 3.31Å; S230-T234 PolarHBondContact O-N 2.89Å; S230-T234 PolarHBondContact O-OG1 2.86Å; I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.07Å; T234-M236 PolarHBondContact O-N 3.15Å; T234-R237 PolarHBondContact O-N 3.13Å; T234-R237 VanDerWaalsContact O-N 3.11Å; T234-D238 WeakPolarHBondContact O-CB 3.24Å; T234-D238 VanDerWaalsContact O-CG 3.24Å; T234-D238 PolarHBondContact O-N 3.01Å
235S54.1Low60.7Low64 Ų6498.2 Ų98.245%0.44855%0.553SS.*Hα-helixtrans-64.8-37.2177730000112.9T231 I232 S239T231-S235 VanDerWaalsContact O-CB 3.26Å; T231-S235 WeakPolarHBondContact O-CB 3.36Å; T231-S235 PolarHBondContact O-N 2.98Å; T231-S235 PolarHBondContact O-OG 2.95Å; I232-S235 PolarHBondContact O-OG 3.04Å; S235-S239 WeakPolarHBondContact O-CB 3.34Å; S235-S239 PolarHBondContact O-N 3.27Å; S235-S239 PolarHBondContact O-OG 2.79Å
236M61.4Low60Low111 Ų11198.6 Ų98.655%0.54756%0.556SS.*Hα-helixtrans-66.4-40.1171.6-76.4-154.6-124.500111.7I232 T234 S239 L240I232-M236 HydrophobicContact CG2-CE 3.38Å; I232-M236 HydrophobicContact CG2-CG 4.39Å; I232-M236 VanDerWaalsContact O-CB 3.28Å; I232-M236 WeakPolarHBondContact O-CB 3.07Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.41Å; T234-M236 PolarHBondContact O-N 3.15Å; M236-S239 WeakPolarHBondContact CA-OG 3.24Å; M236-S239 PolarHBondContact O-OG 3.21Å; M236-L240 VanDerWaalsContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CB 3.37Å; M236-L240 VanDerWaalsContact O-CD1 3.27Å; M236-L240 WeakPolarHBondContact O-CD1 3.49Å; M236-L240 VanDerWaalsContact O-CG 3.26Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.47Å
237R62.5Low60Low169 Ų16996.2 Ų96.264%0.63855%0.55SS**Hα-helixtrans-65.1-44.6175.6-83.3178.2-177.8151.62.1112.1A233 T234 L240 I241A233-R237 VanDerWaalsContact O-CB 3.3Å; A233-R237 WeakPolarHBondContact O-CB 3.48Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.43Å; A233-R237 PolarHBondContact O-N 3.47Å; T234-R237 PolarHBondContact O-N 3.13Å; T234-R237 VanDerWaalsContact O-N 3.11Å; R237-L240 PolarHBondContact O-N 2.98Å; R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.45Å; R237-I241 PolarHBondContact O-N 3.26Å
238D69.1Low60.5Low91 Ų9198 Ų9849%0.48755%0.552SS.*Hα-helixtrans-63.7-44.3179.6-67.9-18.3000110.5T234 L240 I241 D242T234-D238 WeakPolarHBondContact O-CB 3.24Å; T234-D238 VanDerWaalsContact O-CG 3.24Å; T234-D238 PolarHBondContact O-N 3.01Å; D238-L240 PolarHBondContact O-N 3.21Å; D238-I241 PolarHBondContact O-N 2.91Å; D238-D242 PolarHBondContact O-N 3.36Å
239S73Confident61.4Low72 Ų7297.4 Ų97.450%0.50355%0.554SS.*Hα-helixtrans-68.1-31.4175.348.50000113.8S235 M236 S243S235-S239 WeakPolarHBondContact O-CB 3.34Å; S235-S239 PolarHBondContact O-N 3.27Å; S235-S239 PolarHBondContact O-OG 2.79Å; M236-S239 WeakPolarHBondContact CA-OG 3.24Å; M236-S239 PolarHBondContact O-OG 3.21Å; S239-S243 PolarHBondContact O-N 2.99Å
240L71.9Confident62.5Low101 Ų10198.4 Ų98.453%0.52956%0.556SS.*Hα-helixtrans-68.7-40.7171.5-83157.2000111.8M236 R237 D238 S243 L244M236-L240 VanDerWaalsContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CB 3.37Å; M236-L240 VanDerWaalsContact O-CD1 3.27Å; M236-L240 WeakPolarHBondContact O-CD1 3.49Å; M236-L240 VanDerWaalsContact O-CG 3.26Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.47Å; R237-L240 PolarHBondContact O-N 2.98Å; D238-L240 PolarHBondContact O-N 3.21Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 3.05Å; L240-L244 WeakPolarHBondContact O-CD1 3.44Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.5Å
241I77.1Confident63.5Low95 Ų9599.9 Ų99.949%0.48756%0.558SS.*Hα-helixtrans-66.3-45.3178.4-68.9164000110.6R237 D238 S243 L244 T245R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.45Å; R237-I241 PolarHBondContact O-N 3.26Å; D238-I241 PolarHBondContact O-N 2.91Å; I241-S243 PolarHBondContact O-N 2.99Å; I241-L244 PolarHBondContact O-N 3.37Å; I241-T245 PolarHBondContact O-N 3.47Å
242D75Confident64.8Low126 Ų126100.9 Ų100.967%0.67456%0.56SS**Hα-helixtrans-61.9-26.1177.1-86.4-5.9000112.8D238 L244D238-D242 PolarHBondContact O-N 3.36Å; D242-L244 VanDerWaalsContact C-N 3.35Å
243S73.3Confident65.8Low86 Ų86102.1 Ų102.160%0.60157%0.569SS**THydrogen-bonded Turntrans-80-14.7175.774.90000114.4S239 L240 I241S239-S243 PolarHBondContact O-N 2.99Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 3.05Å; I241-S243 PolarHBondContact O-N 2.99Å
244L65.8Low66.9Low146 Ų146107.1 Ų107.176%0.76459%0.588SS**THydrogen-bonded Turntrans-107.5-8.8-174.3-74166.9000113.9L240 I241 D242L240-L244 WeakPolarHBondContact O-CD1 3.44Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.5Å; I241-L244 PolarHBondContact O-N 3.37Å; D242-L244 VanDerWaalsContact C-N 3.35Å
245T63.5Low67.9Low158 Ų158110.8 Ų110.897%0.96960%0.604SS**  trans-101.70173.556.20000111.7I241I241-T245 PolarHBondContact O-N 3.47Å

Retrieved 245 of 245 residues in 397.1 ms (Link to these results)